USER MOD reduce.3.24.130724 H: found=0, std=0, add=1822, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1828 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 GLN : amide:sc= -0.601 K(o=-1.4,f=-10!) USER MOD Set 1.2: B 114 MET CE :methyl -127:sc= -0.758 (180deg=-2.99!) USER MOD Set 2.1: B 37 SER OG : rot 11:sc= -0.457 USER MOD Set 2.2: B 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 28 LYS NZ :NH3+ -173:sc= 0.833 (180deg=0.797) USER MOD Set 3.2: B 29 ASN : amide:sc= -0.849 X(o=-0.016,f=0.11) USER MOD Set 4.1: A 108 CYS SG : rot 85:sc= 0.887 USER MOD Set 4.2: B 96 ASN :FLIP amide:sc= -0.886 F(o=-0.98!,f=0.00084) USER MOD Set 5.1: A 85 GLN : amide:sc= -0.695 K(o=-1.5,f=-10!) USER MOD Set 5.2: A 114 MET CE :methyl -128:sc= -0.811 (180deg=-2.87!) USER MOD Set 6.1: A 37 SER OG : rot 11:sc= -0.396 USER MOD Set 6.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 28 LYS NZ :NH3+ -174:sc= 0.801 (180deg=0.748) USER MOD Set 7.2: A 29 ASN : amide:sc= -0.846 X(o=-0.046,f=0.029) USER MOD Single : A 2 SER OG : rot 38:sc= 0.137 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 59:sc= -0.0164 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 CYS SG : rot 42:sc= 0.647 USER MOD Single : A 23 MET CE :methyl -173:sc= -1.64 (180deg=-1.77) USER MOD Single : A 24 SER OG : rot 23:sc= -0.364 USER MOD Single : A 26 THR OG1 : rot 178:sc= 0.621 USER MOD Single : A 30 MET CE :methyl 157:sc= 0 (180deg=-0.964) USER MOD Single : A 45 ASN : amide:sc= -0.0452 K(o=-0.045,f=-1.4!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -158:sc= 1.03 (180deg=0.345) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 84:sc= -2.26! USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 61 HIS : no HE2:sc= -0.742! C(o=-0.74!,f=-6.2!) USER MOD Single : A 62 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.14) USER MOD Single : A 63 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.039) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 76 TYR OH : rot 160:sc= -1.07 USER MOD Single : A 81 CYS SG : rot 74:sc= 0.877 USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0614) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.7) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -145:sc= 0.299 (180deg=-0.32) USER MOD Single : A 107 THR OG1 : rot -160:sc= -0.239 USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= 0.528 (180deg=0.31) USER MOD Single : A 110 THR OG1 : rot 59:sc= 0.904 USER MOD Single : A 113 ASN : amide:sc= 0.0925 K(o=0.092,f=-1.3) USER MOD Single : B 2 SER OG : rot 37:sc= 0.104 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 58:sc=-0.00113 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 CYS SG : rot 46:sc= 0.41 USER MOD Single : B 23 MET CE :methyl -174:sc= -1.55 (180deg=-1.65) USER MOD Single : B 24 SER OG : rot 23:sc= -0.358 USER MOD Single : B 26 THR OG1 : rot 179:sc= 0.648 USER MOD Single : B 30 MET CE :methyl 158:sc= 0 (180deg=-0.898) USER MOD Single : B 45 ASN : amide:sc= -0.0683 K(o=-0.068,f=-1.4!) USER MOD Single : B 47 THR OG1 : rot 180:sc= -0.0663 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -156:sc= 1.11 (180deg=0.403) USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 CYS SG : rot 80:sc= -2.26! USER MOD Single : B 60 HIS : no HD1:sc= 0 X(o=0,f=-0.37) USER MOD Single : B 61 HIS : no HE2:sc= -0.746! C(o=-0.75!,f=-5.8!) USER MOD Single : B 62 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.12) USER MOD Single : B 63 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.083) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : B 68 SER OG : rot 180:sc= 0.00636 USER MOD Single : B 76 TYR OH : rot 162:sc= -1.03 USER MOD Single : B 81 CYS SG : rot 74:sc= 0.915 USER MOD Single : B 82 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0605) USER MOD Single : B 87 THR OG1 : rot 180:sc= 0 USER MOD Single : B 97 TYR OH : rot 180:sc= 0 USER MOD Single : B 101 LYS NZ :NH3+ -142:sc= 0.195 (180deg=-0.438) USER MOD Single : B 107 THR OG1 : rot -160:sc= -0.244 USER MOD Single : B 108 CYS SG : rot 87:sc= 0.537 USER MOD Single : B 109 LYS NZ :NH3+ -173:sc= 0.51 (180deg=0.331) USER MOD Single : B 110 THR OG1 : rot 60:sc= 0.901 USER MOD Single : B 113 ASN : amide:sc= 0.16 K(o=0.16,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -18.678 -14.074 -16.849 1.00 3.04 N ATOM 2 CA SER A 2 -17.823 -14.208 -15.653 1.00 52.15 C ATOM 3 C SER A 2 -17.593 -12.835 -14.984 1.00 73.35 C ATOM 4 O SER A 2 -16.582 -12.620 -14.308 1.00 23.21 O ATOM 5 CB SER A 2 -16.496 -14.871 -16.084 1.00 12.30 C ATOM 6 OG SER A 2 -16.725 -16.113 -16.738 1.00 3.04 O ATOM 0 HA SER A 2 -18.311 -14.835 -14.906 1.00 52.15 H new ATOM 0 HB2 SER A 2 -15.953 -14.202 -16.751 1.00 12.30 H new ATOM 0 HB3 SER A 2 -15.866 -15.030 -15.209 1.00 12.30 H new ATOM 0 HG SER A 2 -17.522 -16.043 -17.304 1.00 3.04 H new ATOM 14 N LEU A 3 -18.566 -11.917 -15.150 1.00 30.12 N ATOM 15 CA LEU A 3 -18.477 -10.548 -14.618 1.00 75.22 C ATOM 16 C LEU A 3 -18.866 -10.519 -13.125 1.00 32.32 C ATOM 17 O LEU A 3 -20.000 -10.867 -12.766 1.00 51.51 O ATOM 18 CB LEU A 3 -19.415 -9.609 -15.430 1.00 15.53 C ATOM 19 CG LEU A 3 -19.156 -9.551 -16.968 1.00 20.12 C ATOM 20 CD1 LEU A 3 -20.278 -8.781 -17.689 1.00 44.51 C ATOM 21 CD2 LEU A 3 -17.771 -8.948 -17.288 1.00 73.31 C ATOM 0 H LEU A 3 -19.432 -12.106 -15.655 1.00 30.12 H new ATOM 0 HA LEU A 3 -17.448 -10.202 -14.713 1.00 75.22 H new ATOM 0 HB2 LEU A 3 -20.445 -9.926 -15.266 1.00 15.53 H new ATOM 0 HB3 LEU A 3 -19.324 -8.600 -15.027 1.00 15.53 H new ATOM 0 HG LEU A 3 -19.159 -10.575 -17.340 1.00 20.12 H new ATOM 0 HD11 LEU A 3 -20.072 -8.756 -18.759 1.00 44.51 H new ATOM 0 HD12 LEU A 3 -21.232 -9.279 -17.514 1.00 44.51 H new ATOM 0 HD13 LEU A 3 -20.325 -7.762 -17.305 1.00 44.51 H new ATOM 0 HD21 LEU A 3 -17.626 -8.923 -18.368 1.00 73.31 H new ATOM 0 HD22 LEU A 3 -17.715 -7.934 -16.891 1.00 73.31 H new ATOM 0 HD23 LEU A 3 -16.993 -9.560 -16.831 1.00 73.31 H new ATOM 33 N VAL A 4 -17.912 -10.125 -12.266 1.00 4.22 N ATOM 34 CA VAL A 4 -18.184 -9.802 -10.856 1.00 24.12 C ATOM 35 C VAL A 4 -18.635 -8.333 -10.763 1.00 32.43 C ATOM 36 O VAL A 4 -18.025 -7.438 -11.362 1.00 72.40 O ATOM 37 CB VAL A 4 -16.942 -10.075 -9.920 1.00 14.31 C ATOM 38 CG1 VAL A 4 -16.630 -11.588 -9.858 1.00 74.43 C ATOM 39 CG2 VAL A 4 -15.698 -9.264 -10.360 1.00 23.44 C ATOM 0 H VAL A 4 -16.932 -10.022 -12.529 1.00 4.22 H new ATOM 0 HA VAL A 4 -18.977 -10.459 -10.500 1.00 24.12 H new ATOM 0 HB VAL A 4 -17.204 -9.737 -8.917 1.00 14.31 H new ATOM 0 HG11 VAL A 4 -15.771 -11.756 -9.208 1.00 74.43 H new ATOM 0 HG12 VAL A 4 -17.494 -12.122 -9.463 1.00 74.43 H new ATOM 0 HG13 VAL A 4 -16.404 -11.954 -10.860 1.00 74.43 H new ATOM 0 HG21 VAL A 4 -14.866 -9.481 -9.690 1.00 23.44 H new ATOM 0 HG22 VAL A 4 -15.425 -9.541 -11.378 1.00 23.44 H new ATOM 0 HG23 VAL A 4 -15.926 -8.199 -10.322 1.00 23.44 H new ATOM 49 N LYS A 5 -19.729 -8.106 -10.043 1.00 34.02 N ATOM 50 CA LYS A 5 -20.394 -6.798 -9.971 1.00 2.51 C ATOM 51 C LYS A 5 -20.049 -6.137 -8.632 1.00 12.23 C ATOM 52 O LYS A 5 -20.206 -6.749 -7.574 1.00 72.44 O ATOM 53 CB LYS A 5 -21.918 -7.009 -10.168 1.00 74.34 C ATOM 54 CG LYS A 5 -22.245 -7.807 -11.458 1.00 32.04 C ATOM 55 CD LYS A 5 -23.751 -7.895 -11.778 1.00 3.30 C ATOM 56 CE LYS A 5 -24.015 -8.693 -13.069 1.00 42.20 C ATOM 57 NZ LYS A 5 -25.431 -8.597 -13.504 1.00 41.01 N ATOM 0 H LYS A 5 -20.187 -8.827 -9.486 1.00 34.02 H new ATOM 0 HA LYS A 5 -20.050 -6.127 -10.758 1.00 2.51 H new ATOM 0 HB2 LYS A 5 -22.323 -7.538 -9.305 1.00 74.34 H new ATOM 0 HB3 LYS A 5 -22.414 -6.039 -10.209 1.00 74.34 H new ATOM 0 HG2 LYS A 5 -21.732 -7.342 -12.300 1.00 32.04 H new ATOM 0 HG3 LYS A 5 -21.846 -8.816 -11.359 1.00 32.04 H new ATOM 0 HD2 LYS A 5 -24.273 -8.367 -10.946 1.00 3.30 H new ATOM 0 HD3 LYS A 5 -24.160 -6.890 -11.882 1.00 3.30 H new ATOM 0 HE2 LYS A 5 -23.366 -8.323 -13.863 1.00 42.20 H new ATOM 0 HE3 LYS A 5 -23.756 -9.739 -12.908 1.00 42.20 H new ATOM 0 HZ1 LYS A 5 -25.564 -9.148 -14.376 1.00 41.01 H new ATOM 0 HZ2 LYS A 5 -26.050 -8.974 -12.758 1.00 41.01 H new ATOM 0 HZ3 LYS A 5 -25.672 -7.601 -13.684 1.00 41.01 H new ATOM 71 N LEU A 6 -19.515 -4.909 -8.698 1.00 2.35 N ATOM 72 CA LEU A 6 -18.974 -4.199 -7.528 1.00 45.22 C ATOM 73 C LEU A 6 -19.746 -2.887 -7.319 1.00 64.21 C ATOM 74 O LEU A 6 -19.462 -1.891 -7.994 1.00 74.52 O ATOM 75 CB LEU A 6 -17.452 -3.909 -7.739 1.00 51.20 C ATOM 76 CG LEU A 6 -16.548 -5.129 -8.133 1.00 43.32 C ATOM 77 CD1 LEU A 6 -15.107 -4.672 -8.446 1.00 24.22 C ATOM 78 CD2 LEU A 6 -16.563 -6.228 -7.045 1.00 30.44 C ATOM 0 H LEU A 6 -19.446 -4.378 -9.566 1.00 2.35 H new ATOM 0 HA LEU A 6 -19.089 -4.821 -6.641 1.00 45.22 H new ATOM 0 HB2 LEU A 6 -17.355 -3.150 -8.515 1.00 51.20 H new ATOM 0 HB3 LEU A 6 -17.058 -3.477 -6.819 1.00 51.20 H new ATOM 0 HG LEU A 6 -16.967 -5.567 -9.039 1.00 43.32 H new ATOM 0 HD11 LEU A 6 -14.502 -5.537 -8.716 1.00 24.22 H new ATOM 0 HD12 LEU A 6 -15.121 -3.966 -9.276 1.00 24.22 H new ATOM 0 HD13 LEU A 6 -14.679 -4.190 -7.567 1.00 24.22 H new ATOM 0 HD21 LEU A 6 -15.925 -7.056 -7.355 1.00 30.44 H new ATOM 0 HD22 LEU A 6 -16.192 -5.816 -6.106 1.00 30.44 H new ATOM 0 HD23 LEU A 6 -17.582 -6.588 -6.906 1.00 30.44 H new ATOM 90 N GLU A 7 -20.749 -2.894 -6.419 1.00 41.11 N ATOM 91 CA GLU A 7 -21.478 -1.667 -6.054 1.00 10.35 C ATOM 92 C GLU A 7 -20.601 -0.812 -5.140 1.00 13.31 C ATOM 93 O GLU A 7 -20.360 -1.169 -3.987 1.00 1.34 O ATOM 94 CB GLU A 7 -22.842 -1.949 -5.361 1.00 54.03 C ATOM 95 CG GLU A 7 -23.898 -2.613 -6.260 1.00 15.35 C ATOM 96 CD GLU A 7 -23.605 -4.094 -6.539 1.00 61.14 C ATOM 97 OE1 GLU A 7 -23.140 -4.439 -7.652 1.00 63.25 O ATOM 98 OE2 GLU A 7 -23.825 -4.910 -5.626 1.00 31.31 O ATOM 0 H GLU A 7 -21.070 -3.732 -5.935 1.00 41.11 H new ATOM 0 HA GLU A 7 -21.701 -1.138 -6.980 1.00 10.35 H new ATOM 0 HB2 GLU A 7 -22.668 -2.589 -4.496 1.00 54.03 H new ATOM 0 HB3 GLU A 7 -23.244 -1.008 -4.986 1.00 54.03 H new ATOM 0 HG2 GLU A 7 -24.876 -2.525 -5.787 1.00 15.35 H new ATOM 0 HG3 GLU A 7 -23.952 -2.075 -7.206 1.00 15.35 H new ATOM 105 N SER A 8 -20.124 0.306 -5.684 1.00 23.44 N ATOM 106 CA SER A 8 -19.334 1.306 -4.950 1.00 21.04 C ATOM 107 C SER A 8 -20.151 1.969 -3.804 1.00 35.03 C ATOM 108 O SER A 8 -21.289 1.572 -3.513 1.00 0.43 O ATOM 109 CB SER A 8 -18.846 2.364 -5.957 1.00 74.43 C ATOM 110 OG SER A 8 -19.934 2.887 -6.707 1.00 11.24 O ATOM 0 H SER A 8 -20.275 0.551 -6.663 1.00 23.44 H new ATOM 0 HA SER A 8 -18.485 0.813 -4.476 1.00 21.04 H new ATOM 0 HB2 SER A 8 -18.342 3.172 -5.427 1.00 74.43 H new ATOM 0 HB3 SER A 8 -18.114 1.920 -6.631 1.00 74.43 H new ATOM 0 HG SER A 8 -20.588 3.289 -6.098 1.00 11.24 H new ATOM 116 N SER A 9 -19.537 2.967 -3.145 1.00 53.21 N ATOM 117 CA SER A 9 -20.208 3.827 -2.145 1.00 52.14 C ATOM 118 C SER A 9 -21.441 4.531 -2.756 1.00 43.40 C ATOM 119 O SER A 9 -22.423 4.790 -2.060 1.00 15.42 O ATOM 120 CB SER A 9 -19.207 4.871 -1.593 1.00 34.45 C ATOM 121 OG SER A 9 -19.790 5.671 -0.576 1.00 25.02 O ATOM 0 H SER A 9 -18.555 3.204 -3.290 1.00 53.21 H new ATOM 0 HA SER A 9 -20.555 3.198 -1.325 1.00 52.14 H new ATOM 0 HB2 SER A 9 -18.330 4.360 -1.196 1.00 34.45 H new ATOM 0 HB3 SER A 9 -18.862 5.510 -2.406 1.00 34.45 H new ATOM 0 HG SER A 9 -19.130 6.318 -0.250 1.00 25.02 H new ATOM 127 N ASP A 10 -21.365 4.809 -4.074 1.00 40.21 N ATOM 128 CA ASP A 10 -22.442 5.456 -4.851 1.00 55.12 C ATOM 129 C ASP A 10 -23.418 4.422 -5.446 1.00 24.44 C ATOM 130 O ASP A 10 -24.254 4.778 -6.289 1.00 42.42 O ATOM 131 CB ASP A 10 -21.820 6.308 -5.981 1.00 45.43 C ATOM 132 CG ASP A 10 -20.970 7.471 -5.453 1.00 74.21 C ATOM 133 OD1 ASP A 10 -21.493 8.606 -5.359 1.00 60.31 O ATOM 134 OD2 ASP A 10 -19.782 7.254 -5.125 1.00 20.05 O ATOM 0 H ASP A 10 -20.543 4.587 -4.636 1.00 40.21 H new ATOM 0 HA ASP A 10 -23.012 6.094 -4.175 1.00 55.12 H new ATOM 0 HB2 ASP A 10 -21.201 5.670 -6.612 1.00 45.43 H new ATOM 0 HB3 ASP A 10 -22.616 6.704 -6.611 1.00 45.43 H new ATOM 139 N GLU A 11 -23.279 3.139 -5.025 1.00 53.44 N ATOM 140 CA GLU A 11 -24.178 2.024 -5.423 1.00 32.21 C ATOM 141 C GLU A 11 -24.149 1.758 -6.947 1.00 71.33 C ATOM 142 O GLU A 11 -25.071 1.142 -7.490 1.00 52.22 O ATOM 143 CB GLU A 11 -25.631 2.293 -4.923 1.00 3.22 C ATOM 144 CG GLU A 11 -25.772 2.392 -3.387 1.00 4.42 C ATOM 145 CD GLU A 11 -27.156 2.892 -2.947 1.00 23.31 C ATOM 146 OE1 GLU A 11 -27.298 4.093 -2.630 1.00 40.51 O ATOM 147 OE2 GLU A 11 -28.114 2.093 -2.934 1.00 23.12 O ATOM 0 H GLU A 11 -22.533 2.846 -4.394 1.00 53.44 H new ATOM 0 HA GLU A 11 -23.806 1.118 -4.944 1.00 32.21 H new ATOM 0 HB2 GLU A 11 -25.989 3.221 -5.369 1.00 3.22 H new ATOM 0 HB3 GLU A 11 -26.280 1.495 -5.284 1.00 3.22 H new ATOM 0 HG2 GLU A 11 -25.588 1.412 -2.946 1.00 4.42 H new ATOM 0 HG3 GLU A 11 -25.007 3.065 -2.999 1.00 4.42 H new ATOM 154 N LYS A 12 -23.081 2.209 -7.623 1.00 41.52 N ATOM 155 CA LYS A 12 -22.900 1.986 -9.066 1.00 4.31 C ATOM 156 C LYS A 12 -22.383 0.557 -9.282 1.00 4.11 C ATOM 157 O LYS A 12 -21.327 0.203 -8.754 1.00 63.42 O ATOM 158 CB LYS A 12 -21.908 3.031 -9.649 1.00 1.44 C ATOM 159 CG LYS A 12 -22.367 4.501 -9.520 1.00 2.14 C ATOM 160 CD LYS A 12 -23.614 4.840 -10.374 1.00 40.22 C ATOM 161 CE LYS A 12 -24.068 6.303 -10.196 1.00 15.05 C ATOM 162 NZ LYS A 12 -25.209 6.643 -11.092 1.00 22.14 N ATOM 0 H LYS A 12 -22.323 2.735 -7.188 1.00 41.52 H new ATOM 0 HA LYS A 12 -23.851 2.106 -9.585 1.00 4.31 H new ATOM 0 HB2 LYS A 12 -20.947 2.919 -9.146 1.00 1.44 H new ATOM 0 HB3 LYS A 12 -21.744 2.807 -10.703 1.00 1.44 H new ATOM 0 HG2 LYS A 12 -22.585 4.714 -8.474 1.00 2.14 H new ATOM 0 HG3 LYS A 12 -21.547 5.156 -9.814 1.00 2.14 H new ATOM 0 HD2 LYS A 12 -23.392 4.657 -11.425 1.00 40.22 H new ATOM 0 HD3 LYS A 12 -24.431 4.173 -10.100 1.00 40.22 H new ATOM 0 HE2 LYS A 12 -24.359 6.469 -9.159 1.00 15.05 H new ATOM 0 HE3 LYS A 12 -23.232 6.971 -10.404 1.00 15.05 H new ATOM 0 HZ1 LYS A 12 -25.485 7.635 -10.942 1.00 22.14 H new ATOM 0 HZ2 LYS A 12 -24.924 6.509 -12.083 1.00 22.14 H new ATOM 0 HZ3 LYS A 12 -26.016 6.023 -10.877 1.00 22.14 H new ATOM 176 N VAL A 13 -23.144 -0.241 -10.046 1.00 4.42 N ATOM 177 CA VAL A 13 -22.849 -1.659 -10.306 1.00 3.44 C ATOM 178 C VAL A 13 -21.720 -1.772 -11.345 1.00 51.11 C ATOM 179 O VAL A 13 -21.957 -1.650 -12.552 1.00 30.01 O ATOM 180 CB VAL A 13 -24.143 -2.420 -10.807 1.00 23.14 C ATOM 181 CG1 VAL A 13 -23.877 -3.927 -11.035 1.00 23.41 C ATOM 182 CG2 VAL A 13 -25.327 -2.202 -9.834 1.00 22.31 C ATOM 0 H VAL A 13 -23.994 0.085 -10.507 1.00 4.42 H new ATOM 0 HA VAL A 13 -22.525 -2.126 -9.376 1.00 3.44 H new ATOM 0 HB VAL A 13 -24.415 -1.994 -11.773 1.00 23.14 H new ATOM 0 HG11 VAL A 13 -24.792 -4.410 -11.378 1.00 23.41 H new ATOM 0 HG12 VAL A 13 -23.098 -4.049 -11.787 1.00 23.41 H new ATOM 0 HG13 VAL A 13 -23.554 -4.385 -10.100 1.00 23.41 H new ATOM 0 HG21 VAL A 13 -26.203 -2.736 -10.202 1.00 22.31 H new ATOM 0 HG22 VAL A 13 -25.061 -2.579 -8.847 1.00 22.31 H new ATOM 0 HG23 VAL A 13 -25.552 -1.138 -9.767 1.00 22.31 H new ATOM 192 N PHE A 14 -20.482 -1.940 -10.863 1.00 24.25 N ATOM 193 CA PHE A 14 -19.302 -2.093 -11.726 1.00 0.43 C ATOM 194 C PHE A 14 -19.120 -3.560 -12.130 1.00 2.14 C ATOM 195 O PHE A 14 -18.474 -4.344 -11.430 1.00 21.34 O ATOM 196 CB PHE A 14 -18.045 -1.526 -11.025 1.00 74.34 C ATOM 197 CG PHE A 14 -18.028 -0.002 -10.966 1.00 24.13 C ATOM 198 CD1 PHE A 14 -18.311 0.690 -9.791 1.00 4.02 C ATOM 199 CD2 PHE A 14 -17.750 0.739 -12.118 1.00 53.24 C ATOM 200 CE1 PHE A 14 -18.312 2.069 -9.768 1.00 42.31 C ATOM 201 CE2 PHE A 14 -17.750 2.117 -12.091 1.00 22.41 C ATOM 202 CZ PHE A 14 -18.033 2.783 -10.918 1.00 12.14 C ATOM 0 H PHE A 14 -20.270 -1.974 -9.866 1.00 24.25 H new ATOM 0 HA PHE A 14 -19.453 -1.520 -12.641 1.00 0.43 H new ATOM 0 HB2 PHE A 14 -17.991 -1.923 -10.011 1.00 74.34 H new ATOM 0 HB3 PHE A 14 -17.156 -1.873 -11.551 1.00 74.34 H new ATOM 0 HD1 PHE A 14 -18.532 0.141 -8.888 1.00 4.02 H new ATOM 0 HD2 PHE A 14 -17.532 0.225 -13.042 1.00 53.24 H new ATOM 0 HE1 PHE A 14 -18.531 2.592 -8.849 1.00 42.31 H new ATOM 0 HE2 PHE A 14 -17.528 2.675 -12.989 1.00 22.41 H new ATOM 0 HZ PHE A 14 -18.037 3.863 -10.897 1.00 12.14 H new ATOM 212 N GLU A 15 -19.754 -3.914 -13.255 1.00 53.44 N ATOM 213 CA GLU A 15 -19.666 -5.245 -13.861 1.00 31.40 C ATOM 214 C GLU A 15 -18.324 -5.367 -14.599 1.00 21.13 C ATOM 215 O GLU A 15 -18.158 -4.801 -15.683 1.00 45.41 O ATOM 216 CB GLU A 15 -20.847 -5.444 -14.846 1.00 31.22 C ATOM 217 CG GLU A 15 -22.233 -5.163 -14.232 1.00 43.33 C ATOM 218 CD GLU A 15 -23.379 -5.266 -15.250 1.00 3.14 C ATOM 219 OE1 GLU A 15 -23.673 -4.258 -15.931 1.00 41.55 O ATOM 220 OE2 GLU A 15 -23.983 -6.351 -15.386 1.00 33.11 O ATOM 0 H GLU A 15 -20.351 -3.272 -13.776 1.00 53.44 H new ATOM 0 HA GLU A 15 -19.723 -6.014 -13.091 1.00 31.40 H new ATOM 0 HB2 GLU A 15 -20.703 -4.790 -15.706 1.00 31.22 H new ATOM 0 HB3 GLU A 15 -20.827 -6.468 -15.218 1.00 31.22 H new ATOM 0 HG2 GLU A 15 -22.413 -5.867 -13.420 1.00 43.33 H new ATOM 0 HG3 GLU A 15 -22.233 -4.165 -13.794 1.00 43.33 H new ATOM 227 N ILE A 16 -17.365 -6.054 -13.980 1.00 63.43 N ATOM 228 CA ILE A 16 -16.011 -6.235 -14.531 1.00 0.33 C ATOM 229 C ILE A 16 -15.630 -7.722 -14.438 1.00 12.11 C ATOM 230 O ILE A 16 -16.137 -8.430 -13.568 1.00 41.21 O ATOM 231 CB ILE A 16 -14.968 -5.324 -13.773 1.00 4.12 C ATOM 232 CG1 ILE A 16 -13.569 -5.393 -14.460 1.00 55.21 C ATOM 233 CG2 ILE A 16 -14.877 -5.682 -12.263 1.00 23.21 C ATOM 234 CD1 ILE A 16 -12.538 -4.427 -13.925 1.00 1.33 C ATOM 0 H ILE A 16 -17.501 -6.506 -13.076 1.00 63.43 H new ATOM 0 HA ILE A 16 -15.999 -5.930 -15.577 1.00 0.33 H new ATOM 0 HB ILE A 16 -15.324 -4.296 -13.834 1.00 4.12 H new ATOM 0 HG12 ILE A 16 -13.181 -6.406 -14.356 1.00 55.21 H new ATOM 0 HG13 ILE A 16 -13.697 -5.208 -15.527 1.00 55.21 H new ATOM 0 HG21 ILE A 16 -14.148 -5.032 -11.778 1.00 23.21 H new ATOM 0 HG22 ILE A 16 -15.853 -5.544 -11.797 1.00 23.21 H new ATOM 0 HG23 ILE A 16 -14.566 -6.721 -12.153 1.00 23.21 H new ATOM 0 HD11 ILE A 16 -11.602 -4.556 -14.469 1.00 1.33 H new ATOM 0 HD12 ILE A 16 -12.895 -3.405 -14.054 1.00 1.33 H new ATOM 0 HD13 ILE A 16 -12.372 -4.622 -12.866 1.00 1.33 H new ATOM 246 N GLU A 17 -14.761 -8.186 -15.355 1.00 51.42 N ATOM 247 CA GLU A 17 -14.336 -9.594 -15.416 1.00 30.22 C ATOM 248 C GLU A 17 -13.657 -10.027 -14.100 1.00 25.51 C ATOM 249 O GLU A 17 -12.844 -9.279 -13.534 1.00 25.51 O ATOM 250 CB GLU A 17 -13.390 -9.805 -16.629 1.00 74.23 C ATOM 251 CG GLU A 17 -14.004 -9.406 -17.995 1.00 70.31 C ATOM 252 CD GLU A 17 -13.033 -9.463 -19.191 1.00 31.11 C ATOM 253 OE1 GLU A 17 -12.055 -10.246 -19.163 1.00 21.33 O ATOM 254 OE2 GLU A 17 -13.268 -8.736 -20.189 1.00 71.43 O ATOM 0 H GLU A 17 -14.336 -7.597 -16.071 1.00 51.42 H new ATOM 0 HA GLU A 17 -15.218 -10.220 -15.547 1.00 30.22 H new ATOM 0 HB2 GLU A 17 -12.480 -9.226 -16.470 1.00 74.23 H new ATOM 0 HB3 GLU A 17 -13.097 -10.854 -16.668 1.00 74.23 H new ATOM 0 HG2 GLU A 17 -14.849 -10.063 -18.202 1.00 70.31 H new ATOM 0 HG3 GLU A 17 -14.399 -8.393 -17.916 1.00 70.31 H new ATOM 261 N LYS A 18 -14.019 -11.237 -13.636 1.00 4.31 N ATOM 262 CA LYS A 18 -13.521 -11.832 -12.383 1.00 74.01 C ATOM 263 C LYS A 18 -11.987 -11.924 -12.382 1.00 42.45 C ATOM 264 O LYS A 18 -11.358 -11.647 -11.364 1.00 24.02 O ATOM 265 CB LYS A 18 -14.124 -13.242 -12.200 1.00 71.23 C ATOM 266 CG LYS A 18 -13.715 -13.971 -10.890 1.00 15.32 C ATOM 267 CD LYS A 18 -14.047 -15.483 -10.942 1.00 24.33 C ATOM 268 CE LYS A 18 -13.254 -16.218 -12.047 1.00 12.31 C ATOM 269 NZ LYS A 18 -13.693 -17.628 -12.209 1.00 51.31 N ATOM 0 H LYS A 18 -14.677 -11.839 -14.130 1.00 4.31 H new ATOM 0 HA LYS A 18 -13.826 -11.189 -11.557 1.00 74.01 H new ATOM 0 HB2 LYS A 18 -15.211 -13.162 -12.228 1.00 71.23 H new ATOM 0 HB3 LYS A 18 -13.828 -13.859 -13.048 1.00 71.23 H new ATOM 0 HG2 LYS A 18 -12.646 -13.840 -10.720 1.00 15.32 H new ATOM 0 HG3 LYS A 18 -14.231 -13.515 -10.045 1.00 15.32 H new ATOM 0 HD2 LYS A 18 -13.824 -15.935 -9.976 1.00 24.33 H new ATOM 0 HD3 LYS A 18 -15.115 -15.613 -11.116 1.00 24.33 H new ATOM 0 HE2 LYS A 18 -13.377 -15.690 -12.993 1.00 12.31 H new ATOM 0 HE3 LYS A 18 -12.191 -16.196 -11.805 1.00 12.31 H new ATOM 0 HZ1 LYS A 18 -13.134 -18.081 -12.960 1.00 51.31 H new ATOM 0 HZ2 LYS A 18 -13.552 -18.140 -11.315 1.00 51.31 H new ATOM 0 HZ3 LYS A 18 -14.701 -17.651 -12.465 1.00 51.31 H new ATOM 283 N GLU A 19 -11.420 -12.286 -13.560 1.00 3.21 N ATOM 284 CA GLU A 19 -9.957 -12.423 -13.784 1.00 14.55 C ATOM 285 C GLU A 19 -9.196 -11.157 -13.346 1.00 11.21 C ATOM 286 O GLU A 19 -8.098 -11.223 -12.789 1.00 25.01 O ATOM 287 CB GLU A 19 -9.668 -12.678 -15.291 1.00 75.11 C ATOM 288 CG GLU A 19 -10.406 -13.880 -15.904 1.00 53.44 C ATOM 289 CD GLU A 19 -10.079 -14.082 -17.394 1.00 14.23 C ATOM 290 OE1 GLU A 19 -10.587 -13.310 -18.234 1.00 75.41 O ATOM 291 OE2 GLU A 19 -9.300 -15.002 -17.725 1.00 44.24 O ATOM 0 H GLU A 19 -11.972 -12.494 -14.392 1.00 3.21 H new ATOM 0 HA GLU A 19 -9.615 -13.266 -13.184 1.00 14.55 H new ATOM 0 HB2 GLU A 19 -9.935 -11.783 -15.852 1.00 75.11 H new ATOM 0 HB3 GLU A 19 -8.596 -12.826 -15.419 1.00 75.11 H new ATOM 0 HG2 GLU A 19 -10.142 -14.783 -15.353 1.00 53.44 H new ATOM 0 HG3 GLU A 19 -11.481 -13.739 -15.788 1.00 53.44 H new ATOM 298 N ILE A 20 -9.826 -10.014 -13.609 1.00 14.52 N ATOM 299 CA ILE A 20 -9.273 -8.688 -13.331 1.00 55.23 C ATOM 300 C ILE A 20 -9.333 -8.400 -11.811 1.00 52.24 C ATOM 301 O ILE A 20 -8.370 -7.899 -11.218 1.00 72.13 O ATOM 302 CB ILE A 20 -10.071 -7.605 -14.146 1.00 2.32 C ATOM 303 CG1 ILE A 20 -10.126 -7.995 -15.657 1.00 22.31 C ATOM 304 CG2 ILE A 20 -9.463 -6.210 -13.953 1.00 35.31 C ATOM 305 CD1 ILE A 20 -10.830 -7.005 -16.567 1.00 31.40 C ATOM 0 H ILE A 20 -10.754 -9.982 -14.030 1.00 14.52 H new ATOM 0 HA ILE A 20 -8.228 -8.652 -13.640 1.00 55.23 H new ATOM 0 HB ILE A 20 -11.092 -7.571 -13.766 1.00 2.32 H new ATOM 0 HG12 ILE A 20 -9.106 -8.129 -16.016 1.00 22.31 H new ATOM 0 HG13 ILE A 20 -10.624 -8.960 -15.746 1.00 22.31 H new ATOM 0 HG21 ILE A 20 -10.035 -5.481 -14.528 1.00 35.31 H new ATOM 0 HG22 ILE A 20 -9.493 -5.943 -12.897 1.00 35.31 H new ATOM 0 HG23 ILE A 20 -8.429 -6.213 -14.297 1.00 35.31 H new ATOM 0 HD11 ILE A 20 -10.810 -7.375 -17.592 1.00 31.40 H new ATOM 0 HD12 ILE A 20 -11.864 -6.886 -16.245 1.00 31.40 H new ATOM 0 HD13 ILE A 20 -10.322 -6.042 -16.519 1.00 31.40 H new ATOM 317 N ALA A 21 -10.470 -8.772 -11.196 1.00 1.25 N ATOM 318 CA ALA A 21 -10.711 -8.609 -9.744 1.00 43.41 C ATOM 319 C ALA A 21 -9.962 -9.668 -8.896 1.00 73.44 C ATOM 320 O ALA A 21 -9.927 -9.559 -7.666 1.00 50.52 O ATOM 321 CB ALA A 21 -12.220 -8.660 -9.473 1.00 23.52 C ATOM 0 H ALA A 21 -11.254 -9.197 -11.692 1.00 1.25 H new ATOM 0 HA ALA A 21 -10.315 -7.639 -9.443 1.00 43.41 H new ATOM 0 HB1 ALA A 21 -12.402 -8.540 -8.405 1.00 23.52 H new ATOM 0 HB2 ALA A 21 -12.715 -7.856 -10.018 1.00 23.52 H new ATOM 0 HB3 ALA A 21 -12.617 -9.620 -9.803 1.00 23.52 H new ATOM 327 N CYS A 22 -9.386 -10.695 -9.560 1.00 55.33 N ATOM 328 CA CYS A 22 -8.544 -11.719 -8.900 1.00 24.33 C ATOM 329 C CYS A 22 -7.163 -11.152 -8.512 1.00 61.55 C ATOM 330 O CYS A 22 -6.517 -11.657 -7.591 1.00 13.23 O ATOM 331 CB CYS A 22 -8.376 -12.952 -9.813 1.00 43.21 C ATOM 332 SG CYS A 22 -9.920 -13.805 -10.197 1.00 63.44 S ATOM 0 H CYS A 22 -9.491 -10.837 -10.565 1.00 55.33 H new ATOM 0 HA CYS A 22 -9.052 -12.022 -7.984 1.00 24.33 H new ATOM 0 HB2 CYS A 22 -7.906 -12.638 -10.745 1.00 43.21 H new ATOM 0 HB3 CYS A 22 -7.695 -13.655 -9.333 1.00 43.21 H new ATOM 0 HG CYS A 22 -10.847 -12.930 -10.453 1.00 63.44 H new ATOM 338 N MET A 23 -6.713 -10.112 -9.240 1.00 32.25 N ATOM 339 CA MET A 23 -5.447 -9.406 -8.928 1.00 22.24 C ATOM 340 C MET A 23 -5.597 -8.603 -7.625 1.00 41.34 C ATOM 341 O MET A 23 -4.638 -8.445 -6.853 1.00 73.42 O ATOM 342 CB MET A 23 -5.042 -8.473 -10.092 1.00 24.23 C ATOM 343 CG MET A 23 -4.969 -9.152 -11.464 1.00 52.42 C ATOM 344 SD MET A 23 -4.353 -8.051 -12.746 1.00 35.03 S ATOM 345 CE MET A 23 -5.513 -6.696 -12.646 1.00 61.04 C ATOM 0 H MET A 23 -7.206 -9.738 -10.051 1.00 32.25 H new ATOM 0 HA MET A 23 -4.660 -10.148 -8.795 1.00 22.24 H new ATOM 0 HB2 MET A 23 -5.757 -7.652 -10.146 1.00 24.23 H new ATOM 0 HB3 MET A 23 -4.070 -8.035 -9.867 1.00 24.23 H new ATOM 0 HG2 MET A 23 -4.322 -10.027 -11.399 1.00 52.42 H new ATOM 0 HG3 MET A 23 -5.961 -9.509 -11.742 1.00 52.42 H new ATOM 0 HE1 MET A 23 -5.330 -5.999 -13.464 1.00 61.04 H new ATOM 0 HE2 MET A 23 -6.530 -7.081 -12.719 1.00 61.04 H new ATOM 0 HE3 MET A 23 -5.388 -6.180 -11.694 1.00 61.04 H new ATOM 355 N SER A 24 -6.823 -8.096 -7.415 1.00 24.22 N ATOM 356 CA SER A 24 -7.244 -7.522 -6.144 1.00 50.21 C ATOM 357 C SER A 24 -7.354 -8.657 -5.115 1.00 60.00 C ATOM 358 O SER A 24 -8.256 -9.492 -5.217 1.00 42.11 O ATOM 359 CB SER A 24 -8.601 -6.795 -6.304 1.00 15.10 C ATOM 360 OG SER A 24 -9.069 -6.298 -5.062 1.00 43.21 O ATOM 0 H SER A 24 -7.548 -8.077 -8.132 1.00 24.22 H new ATOM 0 HA SER A 24 -6.514 -6.787 -5.805 1.00 50.21 H new ATOM 0 HB2 SER A 24 -8.494 -5.972 -7.010 1.00 15.10 H new ATOM 0 HB3 SER A 24 -9.336 -7.481 -6.724 1.00 15.10 H new ATOM 0 HG SER A 24 -8.313 -6.184 -4.449 1.00 43.21 H new ATOM 366 N VAL A 25 -6.405 -8.691 -4.161 1.00 2.20 N ATOM 367 CA VAL A 25 -6.337 -9.728 -3.115 1.00 11.33 C ATOM 368 C VAL A 25 -7.628 -9.730 -2.273 1.00 24.14 C ATOM 369 O VAL A 25 -8.181 -10.788 -1.986 1.00 24.03 O ATOM 370 CB VAL A 25 -5.071 -9.520 -2.189 1.00 52.35 C ATOM 371 CG1 VAL A 25 -4.976 -10.594 -1.073 1.00 24.13 C ATOM 372 CG2 VAL A 25 -3.770 -9.475 -3.034 1.00 42.04 C ATOM 0 H VAL A 25 -5.661 -7.997 -4.094 1.00 2.20 H new ATOM 0 HA VAL A 25 -6.240 -10.697 -3.606 1.00 11.33 H new ATOM 0 HB VAL A 25 -5.191 -8.558 -1.692 1.00 52.35 H new ATOM 0 HG11 VAL A 25 -4.091 -10.409 -0.464 1.00 24.13 H new ATOM 0 HG12 VAL A 25 -5.865 -10.546 -0.445 1.00 24.13 H new ATOM 0 HG13 VAL A 25 -4.905 -11.583 -1.525 1.00 24.13 H new ATOM 0 HG21 VAL A 25 -2.913 -9.331 -2.376 1.00 42.04 H new ATOM 0 HG22 VAL A 25 -3.657 -10.413 -3.578 1.00 42.04 H new ATOM 0 HG23 VAL A 25 -3.825 -8.649 -3.743 1.00 42.04 H new ATOM 382 N THR A 26 -8.115 -8.522 -1.950 1.00 33.04 N ATOM 383 CA THR A 26 -9.297 -8.314 -1.097 1.00 42.24 C ATOM 384 C THR A 26 -10.591 -8.854 -1.747 1.00 4.31 C ATOM 385 O THR A 26 -11.294 -9.660 -1.129 1.00 5.43 O ATOM 386 CB THR A 26 -9.442 -6.802 -0.761 1.00 62.54 C ATOM 387 OG1 THR A 26 -8.211 -6.353 -0.193 1.00 42.45 O ATOM 388 CG2 THR A 26 -10.588 -6.496 0.220 1.00 64.14 C ATOM 0 H THR A 26 -7.695 -7.652 -2.277 1.00 33.04 H new ATOM 0 HA THR A 26 -9.147 -8.879 -0.177 1.00 42.24 H new ATOM 0 HB THR A 26 -9.681 -6.282 -1.689 1.00 62.54 H new ATOM 0 HG1 THR A 26 -8.271 -5.394 0.002 1.00 42.45 H new ATOM 0 HG21 THR A 26 -10.629 -5.423 0.408 1.00 64.14 H new ATOM 0 HG22 THR A 26 -11.533 -6.826 -0.211 1.00 64.14 H new ATOM 0 HG23 THR A 26 -10.414 -7.022 1.158 1.00 64.14 H new ATOM 396 N ILE A 27 -10.871 -8.435 -3.008 1.00 33.34 N ATOM 397 CA ILE A 27 -12.084 -8.867 -3.743 1.00 24.12 C ATOM 398 C ILE A 27 -12.043 -10.390 -3.978 1.00 54.01 C ATOM 399 O ILE A 27 -13.044 -11.080 -3.772 1.00 63.00 O ATOM 400 CB ILE A 27 -12.251 -8.119 -5.123 1.00 20.04 C ATOM 401 CG1 ILE A 27 -12.345 -6.574 -4.909 1.00 14.22 C ATOM 402 CG2 ILE A 27 -13.489 -8.641 -5.909 1.00 45.54 C ATOM 403 CD1 ILE A 27 -12.345 -5.753 -6.192 1.00 52.40 C ATOM 0 H ILE A 27 -10.272 -7.799 -3.535 1.00 33.34 H new ATOM 0 HA ILE A 27 -12.944 -8.608 -3.125 1.00 24.12 H new ATOM 0 HB ILE A 27 -11.365 -8.331 -5.721 1.00 20.04 H new ATOM 0 HG12 ILE A 27 -13.255 -6.353 -4.352 1.00 14.22 H new ATOM 0 HG13 ILE A 27 -11.507 -6.255 -4.289 1.00 14.22 H new ATOM 0 HG21 ILE A 27 -13.573 -8.104 -6.854 1.00 45.54 H new ATOM 0 HG22 ILE A 27 -13.372 -9.707 -6.107 1.00 45.54 H new ATOM 0 HG23 ILE A 27 -14.390 -8.479 -5.318 1.00 45.54 H new ATOM 0 HD11 ILE A 27 -12.413 -4.693 -5.946 1.00 52.40 H new ATOM 0 HD12 ILE A 27 -11.423 -5.939 -6.743 1.00 52.40 H new ATOM 0 HD13 ILE A 27 -13.199 -6.038 -6.807 1.00 52.40 H new ATOM 415 N LYS A 28 -10.849 -10.896 -4.363 1.00 21.25 N ATOM 416 CA LYS A 28 -10.618 -12.329 -4.621 1.00 1.03 C ATOM 417 C LYS A 28 -10.895 -13.165 -3.355 1.00 10.12 C ATOM 418 O LYS A 28 -11.574 -14.191 -3.428 1.00 22.22 O ATOM 419 CB LYS A 28 -9.163 -12.570 -5.109 1.00 24.44 C ATOM 420 CG LYS A 28 -8.855 -14.034 -5.508 1.00 25.04 C ATOM 421 CD LYS A 28 -7.384 -14.256 -5.916 1.00 62.53 C ATOM 422 CE LYS A 28 -6.396 -14.001 -4.767 1.00 74.25 C ATOM 423 NZ LYS A 28 -6.533 -14.999 -3.673 1.00 13.34 N ATOM 0 H LYS A 28 -10.020 -10.318 -4.503 1.00 21.25 H new ATOM 0 HA LYS A 28 -11.307 -12.645 -5.404 1.00 1.03 H new ATOM 0 HB2 LYS A 28 -8.969 -11.925 -5.966 1.00 24.44 H new ATOM 0 HB3 LYS A 28 -8.474 -12.269 -4.320 1.00 24.44 H new ATOM 0 HG2 LYS A 28 -9.096 -14.690 -4.672 1.00 25.04 H new ATOM 0 HG3 LYS A 28 -9.502 -14.322 -6.336 1.00 25.04 H new ATOM 0 HD2 LYS A 28 -7.262 -15.279 -6.272 1.00 62.53 H new ATOM 0 HD3 LYS A 28 -7.141 -13.597 -6.750 1.00 62.53 H new ATOM 0 HE2 LYS A 28 -5.377 -14.027 -5.154 1.00 74.25 H new ATOM 0 HE3 LYS A 28 -6.559 -13.001 -4.366 1.00 74.25 H new ATOM 0 HZ1 LYS A 28 -5.920 -14.729 -2.878 1.00 13.34 H new ATOM 0 HZ2 LYS A 28 -7.522 -15.030 -3.353 1.00 13.34 H new ATOM 0 HZ3 LYS A 28 -6.253 -15.938 -4.022 1.00 13.34 H new ATOM 437 N ASN A 29 -10.390 -12.686 -2.196 1.00 12.21 N ATOM 438 CA ASN A 29 -10.565 -13.378 -0.897 1.00 1.23 C ATOM 439 C ASN A 29 -12.026 -13.356 -0.443 1.00 70.24 C ATOM 440 O ASN A 29 -12.466 -14.271 0.244 1.00 65.32 O ATOM 441 CB ASN A 29 -9.657 -12.771 0.212 1.00 12.55 C ATOM 442 CG ASN A 29 -8.161 -13.087 0.059 1.00 2.14 C ATOM 443 OD1 ASN A 29 -7.307 -12.297 0.466 1.00 33.15 O ATOM 444 ND2 ASN A 29 -7.816 -14.241 -0.502 1.00 13.41 N ATOM 0 H ASN A 29 -9.856 -11.819 -2.133 1.00 12.21 H new ATOM 0 HA ASN A 29 -10.264 -14.414 -1.055 1.00 1.23 H new ATOM 0 HB2 ASN A 29 -9.787 -11.689 0.218 1.00 12.55 H new ATOM 0 HB3 ASN A 29 -9.995 -13.138 1.181 1.00 12.55 H new ATOM 0 HD21 ASN A 29 -6.831 -14.485 -0.602 1.00 13.41 H new ATOM 0 HD22 ASN A 29 -8.536 -14.883 -0.833 1.00 13.41 H new ATOM 451 N MET A 30 -12.761 -12.294 -0.824 1.00 11.53 N ATOM 452 CA MET A 30 -14.208 -12.180 -0.559 1.00 11.32 C ATOM 453 C MET A 30 -14.990 -13.235 -1.359 1.00 22.43 C ATOM 454 O MET A 30 -15.901 -13.873 -0.824 1.00 14.44 O ATOM 455 CB MET A 30 -14.718 -10.748 -0.878 1.00 32.41 C ATOM 456 CG MET A 30 -14.239 -9.682 0.114 1.00 3.45 C ATOM 457 SD MET A 30 -14.774 -8.018 -0.324 1.00 71.03 S ATOM 458 CE MET A 30 -14.123 -7.075 1.050 1.00 60.12 C ATOM 0 H MET A 30 -12.371 -11.494 -1.322 1.00 11.53 H new ATOM 0 HA MET A 30 -14.377 -12.366 0.502 1.00 11.32 H new ATOM 0 HB2 MET A 30 -14.390 -10.471 -1.880 1.00 32.41 H new ATOM 0 HB3 MET A 30 -15.808 -10.755 -0.890 1.00 32.41 H new ATOM 0 HG2 MET A 30 -14.611 -9.927 1.109 1.00 3.45 H new ATOM 0 HG3 MET A 30 -13.150 -9.705 0.166 1.00 3.45 H new ATOM 0 HE1 MET A 30 -14.002 -6.034 0.752 1.00 60.12 H new ATOM 0 HE2 MET A 30 -14.814 -7.133 1.891 1.00 60.12 H new ATOM 0 HE3 MET A 30 -13.156 -7.483 1.346 1.00 60.12 H new ATOM 468 N ILE A 31 -14.592 -13.426 -2.631 1.00 63.42 N ATOM 469 CA ILE A 31 -15.179 -14.444 -3.525 1.00 64.14 C ATOM 470 C ILE A 31 -14.910 -15.861 -2.954 1.00 1.54 C ATOM 471 O ILE A 31 -15.831 -16.658 -2.806 1.00 32.23 O ATOM 472 CB ILE A 31 -14.608 -14.305 -4.994 1.00 20.43 C ATOM 473 CG1 ILE A 31 -14.938 -12.892 -5.583 1.00 1.01 C ATOM 474 CG2 ILE A 31 -15.142 -15.422 -5.927 1.00 21.13 C ATOM 475 CD1 ILE A 31 -14.304 -12.596 -6.936 1.00 22.34 C ATOM 0 H ILE A 31 -13.852 -12.877 -3.069 1.00 63.42 H new ATOM 0 HA ILE A 31 -16.256 -14.287 -3.577 1.00 64.14 H new ATOM 0 HB ILE A 31 -13.525 -14.416 -4.936 1.00 20.43 H new ATOM 0 HG12 ILE A 31 -16.020 -12.797 -5.677 1.00 1.01 H new ATOM 0 HG13 ILE A 31 -14.612 -12.133 -4.872 1.00 1.01 H new ATOM 0 HG21 ILE A 31 -14.727 -15.291 -6.926 1.00 21.13 H new ATOM 0 HG22 ILE A 31 -14.846 -16.395 -5.536 1.00 21.13 H new ATOM 0 HG23 ILE A 31 -16.229 -15.366 -5.976 1.00 21.13 H new ATOM 0 HD11 ILE A 31 -14.590 -11.596 -7.261 1.00 22.34 H new ATOM 0 HD12 ILE A 31 -13.219 -12.653 -6.850 1.00 22.34 H new ATOM 0 HD13 ILE A 31 -14.649 -13.327 -7.667 1.00 22.34 H new ATOM 487 N GLU A 32 -13.642 -16.120 -2.566 1.00 23.00 N ATOM 488 CA GLU A 32 -13.197 -17.424 -1.996 1.00 2.01 C ATOM 489 C GLU A 32 -13.879 -17.721 -0.642 1.00 43.34 C ATOM 490 O GLU A 32 -14.210 -18.876 -0.351 1.00 4.24 O ATOM 491 CB GLU A 32 -11.655 -17.428 -1.822 1.00 22.12 C ATOM 492 CG GLU A 32 -10.863 -17.338 -3.143 1.00 32.32 C ATOM 493 CD GLU A 32 -9.366 -17.085 -2.923 1.00 10.12 C ATOM 494 OE1 GLU A 32 -8.550 -18.023 -3.053 1.00 0.51 O ATOM 495 OE2 GLU A 32 -9.000 -15.940 -2.601 1.00 41.24 O ATOM 0 H GLU A 32 -12.891 -15.433 -2.637 1.00 23.00 H new ATOM 0 HA GLU A 32 -13.490 -18.208 -2.695 1.00 2.01 H new ATOM 0 HB2 GLU A 32 -11.372 -16.590 -1.185 1.00 22.12 H new ATOM 0 HB3 GLU A 32 -11.363 -18.339 -1.299 1.00 22.12 H new ATOM 0 HG2 GLU A 32 -10.992 -18.265 -3.702 1.00 32.32 H new ATOM 0 HG3 GLU A 32 -11.276 -16.536 -3.755 1.00 32.32 H new ATOM 502 N ASP A 33 -14.096 -16.657 0.158 1.00 74.01 N ATOM 503 CA ASP A 33 -14.695 -16.751 1.510 1.00 31.35 C ATOM 504 C ASP A 33 -16.169 -17.174 1.424 1.00 44.23 C ATOM 505 O ASP A 33 -16.632 -18.018 2.196 1.00 65.34 O ATOM 506 CB ASP A 33 -14.561 -15.393 2.251 1.00 15.22 C ATOM 507 CG ASP A 33 -15.179 -15.392 3.664 1.00 53.52 C ATOM 508 OD1 ASP A 33 -14.673 -16.129 4.537 1.00 32.12 O ATOM 509 OD2 ASP A 33 -16.161 -14.660 3.909 1.00 44.24 O ATOM 0 H ASP A 33 -13.860 -15.703 -0.115 1.00 74.01 H new ATOM 0 HA ASP A 33 -14.156 -17.512 2.074 1.00 31.35 H new ATOM 0 HB2 ASP A 33 -13.505 -15.133 2.326 1.00 15.22 H new ATOM 0 HB3 ASP A 33 -15.039 -14.616 1.655 1.00 15.22 H new ATOM 514 N ILE A 34 -16.886 -16.570 0.464 1.00 12.11 N ATOM 515 CA ILE A 34 -18.279 -16.936 0.146 1.00 73.52 C ATOM 516 C ILE A 34 -18.311 -18.324 -0.535 1.00 13.20 C ATOM 517 O ILE A 34 -19.272 -19.077 -0.388 1.00 33.44 O ATOM 518 CB ILE A 34 -18.955 -15.838 -0.778 1.00 12.32 C ATOM 519 CG1 ILE A 34 -18.909 -14.436 -0.084 1.00 32.24 C ATOM 520 CG2 ILE A 34 -20.416 -16.218 -1.143 1.00 53.01 C ATOM 521 CD1 ILE A 34 -19.338 -13.272 -0.967 1.00 13.32 C ATOM 0 H ILE A 34 -16.519 -15.814 -0.115 1.00 12.11 H new ATOM 0 HA ILE A 34 -18.850 -16.985 1.073 1.00 73.52 H new ATOM 0 HB ILE A 34 -18.386 -15.790 -1.706 1.00 12.32 H new ATOM 0 HG12 ILE A 34 -19.550 -14.461 0.797 1.00 32.24 H new ATOM 0 HG13 ILE A 34 -17.893 -14.253 0.266 1.00 32.24 H new ATOM 0 HG21 ILE A 34 -20.846 -15.442 -1.777 1.00 53.01 H new ATOM 0 HG22 ILE A 34 -20.422 -17.168 -1.677 1.00 53.01 H new ATOM 0 HG23 ILE A 34 -21.006 -16.311 -0.231 1.00 53.01 H new ATOM 0 HD11 ILE A 34 -19.274 -12.343 -0.401 1.00 13.32 H new ATOM 0 HD12 ILE A 34 -18.683 -13.214 -1.836 1.00 13.32 H new ATOM 0 HD13 ILE A 34 -20.365 -13.425 -1.297 1.00 13.32 H new ATOM 533 N GLY A 35 -17.215 -18.665 -1.237 1.00 61.11 N ATOM 534 CA GLY A 35 -17.120 -19.910 -2.009 1.00 41.24 C ATOM 535 C GLY A 35 -17.531 -19.717 -3.466 1.00 14.21 C ATOM 536 O GLY A 35 -17.794 -20.701 -4.173 1.00 25.22 O ATOM 0 H GLY A 35 -16.376 -18.086 -1.283 1.00 61.11 H new ATOM 0 HA2 GLY A 35 -16.097 -20.284 -1.968 1.00 41.24 H new ATOM 0 HA3 GLY A 35 -17.755 -20.669 -1.551 1.00 41.24 H new ATOM 540 N GLU A 36 -17.601 -18.432 -3.882 1.00 51.15 N ATOM 541 CA GLU A 36 -17.957 -17.987 -5.235 1.00 74.11 C ATOM 542 C GLU A 36 -19.448 -18.235 -5.515 1.00 31.03 C ATOM 543 O GLU A 36 -19.854 -19.354 -5.841 1.00 24.23 O ATOM 544 CB GLU A 36 -17.054 -18.619 -6.338 1.00 21.34 C ATOM 545 CG GLU A 36 -17.314 -18.066 -7.757 1.00 45.13 C ATOM 546 CD GLU A 36 -16.516 -18.796 -8.844 1.00 62.11 C ATOM 547 OE1 GLU A 36 -16.967 -19.880 -9.294 1.00 12.24 O ATOM 548 OE2 GLU A 36 -15.441 -18.308 -9.256 1.00 72.12 O ATOM 0 H GLU A 36 -17.402 -17.652 -3.255 1.00 51.15 H new ATOM 0 HA GLU A 36 -17.774 -16.913 -5.275 1.00 74.11 H new ATOM 0 HB2 GLU A 36 -16.009 -18.449 -6.079 1.00 21.34 H new ATOM 0 HB3 GLU A 36 -17.209 -19.698 -6.346 1.00 21.34 H new ATOM 0 HG2 GLU A 36 -18.378 -18.144 -7.981 1.00 45.13 H new ATOM 0 HG3 GLU A 36 -17.061 -17.006 -7.779 1.00 45.13 H new ATOM 555 N SER A 37 -20.257 -17.186 -5.348 1.00 43.22 N ATOM 556 CA SER A 37 -21.692 -17.192 -5.667 1.00 51.44 C ATOM 557 C SER A 37 -21.958 -16.209 -6.818 1.00 13.11 C ATOM 558 O SER A 37 -21.024 -15.590 -7.354 1.00 40.41 O ATOM 559 CB SER A 37 -22.490 -16.798 -4.398 1.00 41.34 C ATOM 560 OG SER A 37 -22.056 -15.542 -3.893 1.00 61.41 O ATOM 0 H SER A 37 -19.930 -16.292 -4.981 1.00 43.22 H new ATOM 0 HA SER A 37 -22.011 -18.185 -5.984 1.00 51.44 H new ATOM 0 HB2 SER A 37 -23.553 -16.752 -4.633 1.00 41.34 H new ATOM 0 HB3 SER A 37 -22.365 -17.564 -3.633 1.00 41.34 H new ATOM 0 HG SER A 37 -21.468 -15.111 -4.548 1.00 61.41 H new ATOM 566 N ASP A 38 -23.236 -16.073 -7.194 1.00 75.40 N ATOM 567 CA ASP A 38 -23.686 -15.070 -8.178 1.00 42.31 C ATOM 568 C ASP A 38 -23.875 -13.702 -7.500 1.00 22.50 C ATOM 569 O ASP A 38 -24.064 -12.685 -8.183 1.00 64.24 O ATOM 570 CB ASP A 38 -25.009 -15.517 -8.860 1.00 42.33 C ATOM 571 CG ASP A 38 -24.917 -16.906 -9.510 1.00 22.42 C ATOM 572 OD1 ASP A 38 -25.688 -17.821 -9.129 1.00 75.32 O ATOM 573 OD2 ASP A 38 -24.062 -17.099 -10.399 1.00 34.42 O ATOM 0 H ASP A 38 -23.990 -16.653 -6.827 1.00 75.40 H new ATOM 0 HA ASP A 38 -22.918 -14.980 -8.946 1.00 42.31 H new ATOM 0 HB2 ASP A 38 -25.808 -15.522 -8.119 1.00 42.33 H new ATOM 0 HB3 ASP A 38 -25.284 -14.785 -9.620 1.00 42.33 H new ATOM 578 N SER A 39 -23.841 -13.700 -6.143 1.00 21.41 N ATOM 579 CA SER A 39 -23.962 -12.491 -5.322 1.00 23.33 C ATOM 580 C SER A 39 -22.816 -11.502 -5.647 1.00 54.34 C ATOM 581 O SER A 39 -21.646 -11.911 -5.687 1.00 71.13 O ATOM 582 CB SER A 39 -23.931 -12.857 -3.820 1.00 70.05 C ATOM 583 OG SER A 39 -24.992 -13.735 -3.495 1.00 63.03 O ATOM 0 H SER A 39 -23.727 -14.551 -5.593 1.00 21.41 H new ATOM 0 HA SER A 39 -24.915 -12.013 -5.550 1.00 23.33 H new ATOM 0 HB2 SER A 39 -22.978 -13.325 -3.575 1.00 70.05 H new ATOM 0 HB3 SER A 39 -24.005 -11.951 -3.219 1.00 70.05 H new ATOM 0 HG SER A 39 -24.953 -13.956 -2.541 1.00 63.03 H new ATOM 589 N PRO A 40 -23.142 -10.202 -5.907 1.00 12.44 N ATOM 590 CA PRO A 40 -22.124 -9.152 -6.137 1.00 10.13 C ATOM 591 C PRO A 40 -21.336 -8.831 -4.847 1.00 0.41 C ATOM 592 O PRO A 40 -21.785 -9.156 -3.738 1.00 42.34 O ATOM 593 CB PRO A 40 -22.974 -7.947 -6.619 1.00 15.43 C ATOM 594 CG PRO A 40 -24.321 -8.162 -6.007 1.00 60.12 C ATOM 595 CD PRO A 40 -24.525 -9.654 -6.005 1.00 62.02 C ATOM 0 HA PRO A 40 -21.357 -9.443 -6.855 1.00 10.13 H new ATOM 0 HB2 PRO A 40 -22.539 -7.001 -6.296 1.00 15.43 H new ATOM 0 HB3 PRO A 40 -23.034 -7.915 -7.707 1.00 15.43 H new ATOM 0 HG2 PRO A 40 -24.362 -7.758 -4.995 1.00 60.12 H new ATOM 0 HG3 PRO A 40 -25.099 -7.660 -6.582 1.00 60.12 H new ATOM 0 HD2 PRO A 40 -25.142 -9.972 -5.165 1.00 62.02 H new ATOM 0 HD3 PRO A 40 -25.025 -9.991 -6.913 1.00 62.02 H new ATOM 603 N ILE A 41 -20.147 -8.226 -5.004 1.00 65.00 N ATOM 604 CA ILE A 41 -19.292 -7.812 -3.882 1.00 5.32 C ATOM 605 C ILE A 41 -19.343 -6.265 -3.794 1.00 12.52 C ATOM 606 O ILE A 41 -18.618 -5.579 -4.526 1.00 65.33 O ATOM 607 CB ILE A 41 -17.787 -8.331 -4.034 1.00 73.44 C ATOM 608 CG1 ILE A 41 -17.687 -9.911 -4.063 1.00 3.43 C ATOM 609 CG2 ILE A 41 -16.880 -7.754 -2.913 1.00 72.54 C ATOM 610 CD1 ILE A 41 -18.110 -10.584 -5.369 1.00 34.03 C ATOM 0 H ILE A 41 -19.751 -8.010 -5.919 1.00 65.00 H new ATOM 0 HA ILE A 41 -19.667 -8.261 -2.962 1.00 5.32 H new ATOM 0 HB ILE A 41 -17.432 -7.967 -4.998 1.00 73.44 H new ATOM 0 HG12 ILE A 41 -16.657 -10.194 -3.848 1.00 3.43 H new ATOM 0 HG13 ILE A 41 -18.302 -10.309 -3.256 1.00 3.43 H new ATOM 0 HG21 ILE A 41 -15.863 -8.124 -3.042 1.00 72.54 H new ATOM 0 HG22 ILE A 41 -16.880 -6.665 -2.969 1.00 72.54 H new ATOM 0 HG23 ILE A 41 -17.260 -8.067 -1.940 1.00 72.54 H new ATOM 0 HD11 ILE A 41 -18.000 -11.664 -5.274 1.00 34.03 H new ATOM 0 HD12 ILE A 41 -19.151 -10.342 -5.582 1.00 34.03 H new ATOM 0 HD13 ILE A 41 -17.480 -10.226 -6.183 1.00 34.03 H new ATOM 622 N PRO A 42 -20.255 -5.677 -2.944 1.00 61.31 N ATOM 623 CA PRO A 42 -20.346 -4.216 -2.764 1.00 20.54 C ATOM 624 C PRO A 42 -19.139 -3.683 -1.970 1.00 21.31 C ATOM 625 O PRO A 42 -18.800 -4.219 -0.907 1.00 65.42 O ATOM 626 CB PRO A 42 -21.688 -4.008 -1.989 1.00 32.42 C ATOM 627 CG PRO A 42 -22.375 -5.344 -2.020 1.00 20.24 C ATOM 628 CD PRO A 42 -21.264 -6.365 -2.100 1.00 32.24 C ATOM 0 HA PRO A 42 -20.332 -3.673 -3.709 1.00 20.54 H new ATOM 0 HB2 PRO A 42 -21.504 -3.684 -0.965 1.00 32.42 H new ATOM 0 HB3 PRO A 42 -22.300 -3.240 -2.462 1.00 32.42 H new ATOM 0 HG2 PRO A 42 -22.983 -5.494 -1.128 1.00 20.24 H new ATOM 0 HG3 PRO A 42 -23.043 -5.422 -2.878 1.00 20.24 H new ATOM 0 HD2 PRO A 42 -20.868 -6.612 -1.115 1.00 32.24 H new ATOM 0 HD3 PRO A 42 -21.602 -7.298 -2.551 1.00 32.24 H new ATOM 636 N LEU A 43 -18.476 -2.658 -2.517 1.00 51.33 N ATOM 637 CA LEU A 43 -17.348 -1.972 -1.875 1.00 4.15 C ATOM 638 C LEU A 43 -17.812 -0.553 -1.446 1.00 4.22 C ATOM 639 O LEU A 43 -17.605 0.416 -2.187 1.00 12.44 O ATOM 640 CB LEU A 43 -16.150 -1.917 -2.870 1.00 25.33 C ATOM 641 CG LEU A 43 -15.662 -3.297 -3.430 1.00 52.23 C ATOM 642 CD1 LEU A 43 -14.610 -3.110 -4.546 1.00 2.55 C ATOM 643 CD2 LEU A 43 -15.137 -4.219 -2.302 1.00 23.30 C ATOM 0 H LEU A 43 -18.712 -2.275 -3.433 1.00 51.33 H new ATOM 0 HA LEU A 43 -17.016 -2.508 -0.986 1.00 4.15 H new ATOM 0 HB2 LEU A 43 -16.431 -1.284 -3.712 1.00 25.33 H new ATOM 0 HB3 LEU A 43 -15.311 -1.432 -2.372 1.00 25.33 H new ATOM 0 HG LEU A 43 -16.526 -3.792 -3.873 1.00 52.23 H new ATOM 0 HD11 LEU A 43 -14.292 -4.086 -4.913 1.00 2.55 H new ATOM 0 HD12 LEU A 43 -15.046 -2.539 -5.365 1.00 2.55 H new ATOM 0 HD13 LEU A 43 -13.749 -2.574 -4.148 1.00 2.55 H new ATOM 0 HD21 LEU A 43 -14.808 -5.166 -2.730 1.00 23.30 H new ATOM 0 HD22 LEU A 43 -14.299 -3.737 -1.799 1.00 23.30 H new ATOM 0 HD23 LEU A 43 -15.934 -4.404 -1.582 1.00 23.30 H new ATOM 655 N PRO A 44 -18.472 -0.408 -0.243 1.00 3.44 N ATOM 656 CA PRO A 44 -19.089 0.878 0.183 1.00 35.44 C ATOM 657 C PRO A 44 -18.058 1.876 0.754 1.00 51.43 C ATOM 658 O PRO A 44 -18.411 3.005 1.115 1.00 72.22 O ATOM 659 CB PRO A 44 -20.098 0.418 1.259 1.00 23.24 C ATOM 660 CG PRO A 44 -19.426 -0.751 1.916 1.00 52.34 C ATOM 661 CD PRO A 44 -18.650 -1.459 0.811 1.00 2.32 C ATOM 0 HA PRO A 44 -19.544 1.424 -0.644 1.00 35.44 H new ATOM 0 HB2 PRO A 44 -20.306 1.212 1.976 1.00 23.24 H new ATOM 0 HB3 PRO A 44 -21.051 0.132 0.815 1.00 23.24 H new ATOM 0 HG2 PRO A 44 -18.759 -0.422 2.713 1.00 52.34 H new ATOM 0 HG3 PRO A 44 -20.158 -1.419 2.369 1.00 52.34 H new ATOM 0 HD2 PRO A 44 -17.690 -1.828 1.172 1.00 2.32 H new ATOM 0 HD3 PRO A 44 -19.198 -2.319 0.427 1.00 2.32 H new ATOM 669 N ASN A 45 -16.796 1.427 0.844 1.00 73.45 N ATOM 670 CA ASN A 45 -15.667 2.230 1.332 1.00 32.34 C ATOM 671 C ASN A 45 -15.184 3.179 0.216 1.00 64.11 C ATOM 672 O ASN A 45 -15.048 4.389 0.425 1.00 15.43 O ATOM 673 CB ASN A 45 -14.527 1.273 1.791 1.00 52.21 C ATOM 674 CG ASN A 45 -13.383 1.947 2.569 1.00 25.22 C ATOM 675 OD1 ASN A 45 -13.082 3.125 2.401 1.00 4.21 O ATOM 676 ND2 ASN A 45 -12.717 1.183 3.418 1.00 71.34 N ATOM 0 H ASN A 45 -16.529 0.480 0.575 1.00 73.45 H new ATOM 0 HA ASN A 45 -15.976 2.839 2.182 1.00 32.34 H new ATOM 0 HB2 ASN A 45 -14.959 0.491 2.416 1.00 52.21 H new ATOM 0 HB3 ASN A 45 -14.109 0.783 0.912 1.00 52.21 H new ATOM 0 HD21 ASN A 45 -11.937 1.570 3.948 1.00 71.34 H new ATOM 0 HD22 ASN A 45 -12.984 0.206 3.543 1.00 71.34 H new ATOM 683 N VAL A 46 -14.955 2.609 -0.975 1.00 42.33 N ATOM 684 CA VAL A 46 -14.442 3.350 -2.145 1.00 12.33 C ATOM 685 C VAL A 46 -15.614 3.919 -2.982 1.00 75.13 C ATOM 686 O VAL A 46 -16.621 3.239 -3.195 1.00 53.41 O ATOM 687 CB VAL A 46 -13.502 2.433 -3.025 1.00 13.45 C ATOM 688 CG1 VAL A 46 -14.228 1.162 -3.522 1.00 23.45 C ATOM 689 CG2 VAL A 46 -12.877 3.223 -4.199 1.00 23.21 C ATOM 0 H VAL A 46 -15.119 1.619 -1.159 1.00 42.33 H new ATOM 0 HA VAL A 46 -13.844 4.188 -1.787 1.00 12.33 H new ATOM 0 HB VAL A 46 -12.688 2.102 -2.380 1.00 13.45 H new ATOM 0 HG11 VAL A 46 -13.543 0.563 -4.122 1.00 23.45 H new ATOM 0 HG12 VAL A 46 -14.566 0.578 -2.666 1.00 23.45 H new ATOM 0 HG13 VAL A 46 -15.087 1.448 -4.129 1.00 23.45 H new ATOM 0 HG21 VAL A 46 -12.237 2.562 -4.783 1.00 23.21 H new ATOM 0 HG22 VAL A 46 -13.669 3.616 -4.836 1.00 23.21 H new ATOM 0 HG23 VAL A 46 -12.284 4.049 -3.807 1.00 23.21 H new ATOM 699 N THR A 47 -15.474 5.182 -3.431 1.00 73.23 N ATOM 700 CA THR A 47 -16.493 5.885 -4.238 1.00 54.11 C ATOM 701 C THR A 47 -16.484 5.385 -5.702 1.00 51.11 C ATOM 702 O THR A 47 -15.577 4.645 -6.097 1.00 13.42 O ATOM 703 CB THR A 47 -16.245 7.424 -4.179 1.00 23.24 C ATOM 704 OG1 THR A 47 -14.949 7.723 -4.710 1.00 41.32 O ATOM 705 CG2 THR A 47 -16.339 7.961 -2.738 1.00 12.43 C ATOM 0 H THR A 47 -14.646 5.747 -3.243 1.00 73.23 H new ATOM 0 HA THR A 47 -17.477 5.669 -3.821 1.00 54.11 H new ATOM 0 HB THR A 47 -17.019 7.909 -4.774 1.00 23.24 H new ATOM 0 HG1 THR A 47 -14.796 8.690 -4.674 1.00 41.32 H new ATOM 0 HG21 THR A 47 -16.160 9.036 -2.738 1.00 12.43 H new ATOM 0 HG22 THR A 47 -17.333 7.758 -2.338 1.00 12.43 H new ATOM 0 HG23 THR A 47 -15.591 7.469 -2.117 1.00 12.43 H new ATOM 713 N SER A 48 -17.486 5.814 -6.500 1.00 34.41 N ATOM 714 CA SER A 48 -17.721 5.284 -7.863 1.00 31.31 C ATOM 715 C SER A 48 -16.644 5.719 -8.864 1.00 13.34 C ATOM 716 O SER A 48 -16.111 4.884 -9.588 1.00 33.41 O ATOM 717 CB SER A 48 -19.119 5.692 -8.368 1.00 24.30 C ATOM 718 OG SER A 48 -19.306 7.098 -8.367 1.00 25.23 O ATOM 0 H SER A 48 -18.152 6.534 -6.220 1.00 34.41 H new ATOM 0 HA SER A 48 -17.666 4.198 -7.791 1.00 31.31 H new ATOM 0 HB2 SER A 48 -19.263 5.310 -9.379 1.00 24.30 H new ATOM 0 HB3 SER A 48 -19.879 5.227 -7.740 1.00 24.30 H new ATOM 0 HG SER A 48 -20.205 7.309 -8.696 1.00 25.23 H new ATOM 724 N THR A 49 -16.327 7.025 -8.877 1.00 21.35 N ATOM 725 CA THR A 49 -15.348 7.611 -9.812 1.00 63.31 C ATOM 726 C THR A 49 -13.946 7.015 -9.583 1.00 73.34 C ATOM 727 O THR A 49 -13.205 6.734 -10.535 1.00 20.14 O ATOM 728 CB THR A 49 -15.297 9.166 -9.646 1.00 33.23 C ATOM 729 OG1 THR A 49 -15.000 9.488 -8.275 1.00 73.43 O ATOM 730 CG2 THR A 49 -16.625 9.839 -10.059 1.00 53.05 C ATOM 0 H THR A 49 -16.742 7.705 -8.240 1.00 21.35 H new ATOM 0 HA THR A 49 -15.667 7.372 -10.827 1.00 63.31 H new ATOM 0 HB THR A 49 -14.517 9.547 -10.305 1.00 33.23 H new ATOM 0 HG1 THR A 49 -14.966 10.461 -8.168 1.00 73.43 H new ATOM 0 HG21 THR A 49 -16.543 10.918 -9.927 1.00 53.05 H new ATOM 0 HG22 THR A 49 -16.836 9.616 -11.105 1.00 53.05 H new ATOM 0 HG23 THR A 49 -17.435 9.458 -9.437 1.00 53.05 H new ATOM 738 N ILE A 50 -13.609 6.802 -8.302 1.00 60.23 N ATOM 739 CA ILE A 50 -12.301 6.279 -7.894 1.00 41.40 C ATOM 740 C ILE A 50 -12.202 4.790 -8.222 1.00 31.23 C ATOM 741 O ILE A 50 -11.230 4.368 -8.848 1.00 44.32 O ATOM 742 CB ILE A 50 -12.041 6.542 -6.368 1.00 42.00 C ATOM 743 CG1 ILE A 50 -12.123 8.071 -6.077 1.00 2.34 C ATOM 744 CG2 ILE A 50 -10.684 5.956 -5.904 1.00 12.41 C ATOM 745 CD1 ILE A 50 -11.168 8.925 -6.900 1.00 21.52 C ATOM 0 H ILE A 50 -14.238 6.988 -7.521 1.00 60.23 H new ATOM 0 HA ILE A 50 -11.528 6.805 -8.454 1.00 41.40 H new ATOM 0 HB ILE A 50 -12.815 6.030 -5.796 1.00 42.00 H new ATOM 0 HG12 ILE A 50 -13.143 8.409 -6.262 1.00 2.34 H new ATOM 0 HG13 ILE A 50 -11.919 8.238 -5.019 1.00 2.34 H new ATOM 0 HG21 ILE A 50 -10.543 6.160 -4.843 1.00 12.41 H new ATOM 0 HG22 ILE A 50 -10.677 4.879 -6.071 1.00 12.41 H new ATOM 0 HG23 ILE A 50 -9.876 6.416 -6.472 1.00 12.41 H new ATOM 0 HD11 ILE A 50 -11.294 9.974 -6.631 1.00 21.52 H new ATOM 0 HD12 ILE A 50 -10.141 8.620 -6.698 1.00 21.52 H new ATOM 0 HD13 ILE A 50 -11.384 8.793 -7.960 1.00 21.52 H new ATOM 757 N LEU A 51 -13.254 4.018 -7.846 1.00 44.10 N ATOM 758 CA LEU A 51 -13.326 2.566 -8.118 1.00 23.32 C ATOM 759 C LEU A 51 -13.307 2.299 -9.632 1.00 21.13 C ATOM 760 O LEU A 51 -12.715 1.320 -10.074 1.00 50.22 O ATOM 761 CB LEU A 51 -14.590 1.921 -7.468 1.00 35.34 C ATOM 762 CG LEU A 51 -14.728 0.364 -7.626 1.00 12.35 C ATOM 763 CD1 LEU A 51 -13.495 -0.380 -7.059 1.00 51.11 C ATOM 764 CD2 LEU A 51 -16.036 -0.156 -6.986 1.00 55.43 C ATOM 0 H LEU A 51 -14.067 4.384 -7.351 1.00 44.10 H new ATOM 0 HA LEU A 51 -12.448 2.103 -7.667 1.00 23.32 H new ATOM 0 HB2 LEU A 51 -14.589 2.159 -6.404 1.00 35.34 H new ATOM 0 HB3 LEU A 51 -15.475 2.390 -7.899 1.00 35.34 H new ATOM 0 HG LEU A 51 -14.775 0.153 -8.694 1.00 12.35 H new ATOM 0 HD11 LEU A 51 -13.628 -1.454 -7.187 1.00 51.11 H new ATOM 0 HD12 LEU A 51 -12.600 -0.059 -7.592 1.00 51.11 H new ATOM 0 HD13 LEU A 51 -13.388 -0.151 -5.999 1.00 51.11 H new ATOM 0 HD21 LEU A 51 -16.099 -1.237 -7.114 1.00 55.43 H new ATOM 0 HD22 LEU A 51 -16.042 0.085 -5.923 1.00 55.43 H new ATOM 0 HD23 LEU A 51 -16.891 0.317 -7.470 1.00 55.43 H new ATOM 776 N GLU A 52 -13.923 3.218 -10.408 1.00 50.35 N ATOM 777 CA GLU A 52 -13.964 3.143 -11.878 1.00 12.23 C ATOM 778 C GLU A 52 -12.534 3.135 -12.439 1.00 23.43 C ATOM 779 O GLU A 52 -12.144 2.200 -13.140 1.00 5.14 O ATOM 780 CB GLU A 52 -14.764 4.345 -12.450 1.00 53.12 C ATOM 781 CG GLU A 52 -14.915 4.347 -13.983 1.00 43.15 C ATOM 782 CD GLU A 52 -15.660 5.581 -14.510 1.00 61.30 C ATOM 783 OE1 GLU A 52 -15.027 6.646 -14.646 1.00 24.14 O ATOM 784 OE2 GLU A 52 -16.874 5.496 -14.790 1.00 65.21 O ATOM 0 H GLU A 52 -14.405 4.032 -10.028 1.00 50.35 H new ATOM 0 HA GLU A 52 -14.463 2.221 -12.176 1.00 12.23 H new ATOM 0 HB2 GLU A 52 -15.757 4.350 -12.001 1.00 53.12 H new ATOM 0 HB3 GLU A 52 -14.272 5.269 -12.146 1.00 53.12 H new ATOM 0 HG2 GLU A 52 -13.926 4.303 -14.440 1.00 43.15 H new ATOM 0 HG3 GLU A 52 -15.449 3.448 -14.291 1.00 43.15 H new ATOM 791 N LYS A 53 -11.741 4.151 -12.029 1.00 5.35 N ATOM 792 CA LYS A 53 -10.334 4.299 -12.450 1.00 3.52 C ATOM 793 C LYS A 53 -9.476 3.114 -11.966 1.00 72.33 C ATOM 794 O LYS A 53 -8.642 2.601 -12.718 1.00 43.12 O ATOM 795 CB LYS A 53 -9.738 5.650 -11.951 1.00 33.23 C ATOM 796 CG LYS A 53 -10.141 6.884 -12.796 1.00 21.42 C ATOM 797 CD LYS A 53 -9.456 8.189 -12.314 1.00 42.31 C ATOM 798 CE LYS A 53 -9.918 8.621 -10.911 1.00 52.14 C ATOM 799 NZ LYS A 53 -11.378 8.898 -10.877 1.00 52.42 N ATOM 0 H LYS A 53 -12.059 4.888 -11.399 1.00 5.35 H new ATOM 0 HA LYS A 53 -10.317 4.302 -13.540 1.00 3.52 H new ATOM 0 HB2 LYS A 53 -10.054 5.813 -10.921 1.00 33.23 H new ATOM 0 HB3 LYS A 53 -8.651 5.571 -11.942 1.00 33.23 H new ATOM 0 HG2 LYS A 53 -9.880 6.706 -13.839 1.00 21.42 H new ATOM 0 HG3 LYS A 53 -11.223 7.010 -12.755 1.00 21.42 H new ATOM 0 HD2 LYS A 53 -8.375 8.046 -12.308 1.00 42.31 H new ATOM 0 HD3 LYS A 53 -9.668 8.989 -13.024 1.00 42.31 H new ATOM 0 HE2 LYS A 53 -9.679 7.838 -10.191 1.00 52.14 H new ATOM 0 HE3 LYS A 53 -9.371 9.513 -10.606 1.00 52.14 H new ATOM 0 HZ1 LYS A 53 -11.594 9.521 -10.073 1.00 52.42 H new ATOM 0 HZ2 LYS A 53 -11.664 9.363 -11.762 1.00 52.42 H new ATOM 0 HZ3 LYS A 53 -11.899 8.004 -10.772 1.00 52.42 H new ATOM 813 N VAL A 54 -9.725 2.665 -10.719 1.00 74.31 N ATOM 814 CA VAL A 54 -9.021 1.518 -10.116 1.00 54.41 C ATOM 815 C VAL A 54 -9.208 0.259 -10.988 1.00 73.44 C ATOM 816 O VAL A 54 -8.255 -0.490 -11.239 1.00 0.15 O ATOM 817 CB VAL A 54 -9.488 1.272 -8.622 1.00 24.22 C ATOM 818 CG1 VAL A 54 -8.965 -0.068 -8.052 1.00 15.32 C ATOM 819 CG2 VAL A 54 -9.042 2.443 -7.710 1.00 75.02 C ATOM 0 H VAL A 54 -10.419 3.088 -10.103 1.00 74.31 H new ATOM 0 HA VAL A 54 -7.956 1.749 -10.079 1.00 54.41 H new ATOM 0 HB VAL A 54 -10.577 1.219 -8.639 1.00 24.22 H new ATOM 0 HG11 VAL A 54 -9.313 -0.188 -7.026 1.00 15.32 H new ATOM 0 HG12 VAL A 54 -9.338 -0.892 -8.660 1.00 15.32 H new ATOM 0 HG13 VAL A 54 -7.875 -0.069 -8.068 1.00 15.32 H new ATOM 0 HG21 VAL A 54 -9.372 2.255 -6.688 1.00 75.02 H new ATOM 0 HG22 VAL A 54 -7.955 2.527 -7.730 1.00 75.02 H new ATOM 0 HG23 VAL A 54 -9.484 3.372 -8.069 1.00 75.02 H new ATOM 829 N LEU A 55 -10.435 0.099 -11.502 1.00 31.44 N ATOM 830 CA LEU A 55 -10.804 -1.020 -12.371 1.00 54.31 C ATOM 831 C LEU A 55 -10.231 -0.859 -13.792 1.00 34.43 C ATOM 832 O LEU A 55 -9.914 -1.859 -14.427 1.00 64.05 O ATOM 833 CB LEU A 55 -12.347 -1.184 -12.402 1.00 11.12 C ATOM 834 CG LEU A 55 -13.004 -1.614 -11.050 1.00 70.12 C ATOM 835 CD1 LEU A 55 -14.520 -1.803 -11.210 1.00 75.02 C ATOM 836 CD2 LEU A 55 -12.334 -2.877 -10.457 1.00 72.24 C ATOM 0 H LEU A 55 -11.202 0.748 -11.324 1.00 31.44 H new ATOM 0 HA LEU A 55 -10.364 -1.927 -11.956 1.00 54.31 H new ATOM 0 HB2 LEU A 55 -12.789 -0.239 -12.717 1.00 11.12 H new ATOM 0 HB3 LEU A 55 -12.601 -1.924 -13.161 1.00 11.12 H new ATOM 0 HG LEU A 55 -12.841 -0.806 -10.337 1.00 70.12 H new ATOM 0 HD11 LEU A 55 -14.952 -2.102 -10.255 1.00 75.02 H new ATOM 0 HD12 LEU A 55 -14.971 -0.866 -11.535 1.00 75.02 H new ATOM 0 HD13 LEU A 55 -14.714 -2.576 -11.954 1.00 75.02 H new ATOM 0 HD21 LEU A 55 -12.821 -3.141 -9.518 1.00 72.24 H new ATOM 0 HD22 LEU A 55 -12.430 -3.704 -11.160 1.00 72.24 H new ATOM 0 HD23 LEU A 55 -11.278 -2.677 -10.274 1.00 72.24 H new ATOM 848 N ASP A 56 -10.088 0.397 -14.269 1.00 64.03 N ATOM 849 CA ASP A 56 -9.561 0.697 -15.627 1.00 61.12 C ATOM 850 C ASP A 56 -8.049 0.398 -15.738 1.00 75.15 C ATOM 851 O ASP A 56 -7.580 -0.082 -16.782 1.00 72.43 O ATOM 852 CB ASP A 56 -9.854 2.173 -16.035 1.00 44.23 C ATOM 853 CG ASP A 56 -11.346 2.452 -16.316 1.00 73.10 C ATOM 854 OD1 ASP A 56 -11.899 3.434 -15.782 1.00 44.54 O ATOM 855 OD2 ASP A 56 -11.970 1.683 -17.089 1.00 54.51 O ATOM 0 H ASP A 56 -10.331 1.229 -13.731 1.00 64.03 H new ATOM 0 HA ASP A 56 -10.083 0.037 -16.320 1.00 61.12 H new ATOM 0 HB2 ASP A 56 -9.513 2.836 -15.240 1.00 44.23 H new ATOM 0 HB3 ASP A 56 -9.273 2.417 -16.925 1.00 44.23 H new ATOM 860 N TYR A 57 -7.296 0.687 -14.657 1.00 52.41 N ATOM 861 CA TYR A 57 -5.862 0.325 -14.557 1.00 54.41 C ATOM 862 C TYR A 57 -5.709 -1.206 -14.487 1.00 22.12 C ATOM 863 O TYR A 57 -4.790 -1.786 -15.083 1.00 54.44 O ATOM 864 CB TYR A 57 -5.216 0.979 -13.310 1.00 21.12 C ATOM 865 CG TYR A 57 -3.709 0.689 -13.151 1.00 13.30 C ATOM 866 CD1 TYR A 57 -2.742 1.541 -13.695 1.00 63.11 C ATOM 867 CD2 TYR A 57 -3.258 -0.453 -12.475 1.00 72.23 C ATOM 868 CE1 TYR A 57 -1.392 1.263 -13.568 1.00 14.52 C ATOM 869 CE2 TYR A 57 -1.918 -0.726 -12.348 1.00 44.43 C ATOM 870 CZ TYR A 57 -0.989 0.128 -12.894 1.00 4.32 C ATOM 871 OH TYR A 57 0.351 -0.168 -12.769 1.00 32.40 O ATOM 0 H TYR A 57 -7.657 1.172 -13.836 1.00 52.41 H new ATOM 0 HA TYR A 57 -5.350 0.697 -15.445 1.00 54.41 H new ATOM 0 HB2 TYR A 57 -5.363 2.058 -13.362 1.00 21.12 H new ATOM 0 HB3 TYR A 57 -5.738 0.629 -12.419 1.00 21.12 H new ATOM 0 HD1 TYR A 57 -3.054 2.430 -14.223 1.00 63.11 H new ATOM 0 HD2 TYR A 57 -3.979 -1.132 -12.045 1.00 72.23 H new ATOM 0 HE1 TYR A 57 -0.658 1.931 -13.994 1.00 14.52 H new ATOM 0 HE2 TYR A 57 -1.594 -1.611 -11.820 1.00 44.43 H new ATOM 0 HH TYR A 57 0.456 -1.002 -12.265 1.00 32.40 H new ATOM 881 N CYS A 58 -6.602 -1.842 -13.723 1.00 43.43 N ATOM 882 CA CYS A 58 -6.639 -3.301 -13.592 1.00 1.31 C ATOM 883 C CYS A 58 -6.992 -3.975 -14.946 1.00 53.10 C ATOM 884 O CYS A 58 -6.468 -5.051 -15.275 1.00 41.23 O ATOM 885 CB CYS A 58 -7.625 -3.688 -12.469 1.00 32.10 C ATOM 886 SG CYS A 58 -7.098 -3.146 -10.833 1.00 23.25 S ATOM 0 H CYS A 58 -7.318 -1.361 -13.179 1.00 43.43 H new ATOM 0 HA CYS A 58 -5.650 -3.667 -13.317 1.00 1.31 H new ATOM 0 HB2 CYS A 58 -8.602 -3.257 -12.689 1.00 32.10 H new ATOM 0 HB3 CYS A 58 -7.749 -4.771 -12.462 1.00 32.10 H new ATOM 0 HG CYS A 58 -7.465 -1.913 -10.645 1.00 23.25 H new ATOM 892 N ARG A 59 -7.862 -3.308 -15.737 1.00 23.53 N ATOM 893 CA ARG A 59 -8.198 -3.730 -17.116 1.00 13.52 C ATOM 894 C ARG A 59 -6.957 -3.636 -18.008 1.00 61.02 C ATOM 895 O ARG A 59 -6.708 -4.529 -18.809 1.00 54.14 O ATOM 896 CB ARG A 59 -9.350 -2.866 -17.710 1.00 42.12 C ATOM 897 CG ARG A 59 -10.749 -3.181 -17.142 1.00 14.33 C ATOM 898 CD ARG A 59 -11.825 -2.208 -17.642 1.00 73.50 C ATOM 899 NE ARG A 59 -13.159 -2.556 -17.125 1.00 62.30 N ATOM 900 CZ ARG A 59 -14.175 -1.694 -16.971 1.00 21.33 C ATOM 901 NH1 ARG A 59 -14.038 -0.407 -17.292 1.00 62.41 N ATOM 902 NH2 ARG A 59 -15.338 -2.132 -16.503 1.00 73.32 N ATOM 0 H ARG A 59 -8.350 -2.464 -15.438 1.00 23.53 H new ATOM 0 HA ARG A 59 -8.540 -4.764 -17.079 1.00 13.52 H new ATOM 0 HB2 ARG A 59 -9.128 -1.814 -17.529 1.00 42.12 H new ATOM 0 HB3 ARG A 59 -9.371 -3.006 -18.791 1.00 42.12 H new ATOM 0 HG2 ARG A 59 -11.028 -4.198 -17.418 1.00 14.33 H new ATOM 0 HG3 ARG A 59 -10.711 -3.146 -16.053 1.00 14.33 H new ATOM 0 HD2 ARG A 59 -11.569 -1.194 -17.335 1.00 73.50 H new ATOM 0 HD3 ARG A 59 -11.844 -2.216 -18.732 1.00 73.50 H new ATOM 0 HE ARG A 59 -13.323 -3.528 -16.864 1.00 62.30 H new ATOM 0 HH11 ARG A 59 -13.151 -0.065 -17.661 1.00 62.41 H new ATOM 0 HH12 ARG A 59 -14.821 0.235 -17.169 1.00 62.41 H new ATOM 0 HH21 ARG A 59 -15.453 -3.117 -16.264 1.00 73.32 H new ATOM 0 HH22 ARG A 59 -16.116 -1.484 -16.383 1.00 73.32 H new ATOM 916 N HIS A 60 -6.174 -2.546 -17.824 1.00 1.02 N ATOM 917 CA HIS A 60 -4.902 -2.318 -18.547 1.00 54.52 C ATOM 918 C HIS A 60 -3.929 -3.493 -18.334 1.00 21.43 C ATOM 919 O HIS A 60 -3.223 -3.891 -19.262 1.00 44.41 O ATOM 920 CB HIS A 60 -4.231 -0.990 -18.082 1.00 63.40 C ATOM 921 CG HIS A 60 -2.910 -0.698 -18.756 1.00 44.41 C ATOM 922 ND1 HIS A 60 -1.690 -1.081 -18.238 1.00 32.41 N ATOM 923 CD2 HIS A 60 -2.635 -0.079 -19.918 1.00 42.44 C ATOM 924 CE1 HIS A 60 -0.729 -0.714 -19.061 1.00 4.11 C ATOM 925 NE2 HIS A 60 -1.272 -0.103 -20.093 1.00 65.34 N ATOM 0 H HIS A 60 -6.408 -1.800 -17.169 1.00 1.02 H new ATOM 0 HA HIS A 60 -5.135 -2.243 -19.609 1.00 54.52 H new ATOM 0 HB2 HIS A 60 -4.915 -0.163 -18.273 1.00 63.40 H new ATOM 0 HB3 HIS A 60 -4.075 -1.032 -17.004 1.00 63.40 H new ATOM 0 HD2 HIS A 60 -3.356 0.358 -20.593 1.00 42.44 H new ATOM 0 HE1 HIS A 60 0.327 -0.886 -18.914 1.00 4.11 H new ATOM 0 HE2 HIS A 60 -0.766 0.287 -20.888 1.00 65.34 H new ATOM 934 N HIS A 61 -3.903 -4.025 -17.095 1.00 52.10 N ATOM 935 CA HIS A 61 -3.043 -5.161 -16.733 1.00 54.13 C ATOM 936 C HIS A 61 -3.583 -6.491 -17.308 1.00 13.34 C ATOM 937 O HIS A 61 -2.814 -7.413 -17.559 1.00 73.04 O ATOM 938 CB HIS A 61 -2.893 -5.269 -15.196 1.00 3.03 C ATOM 939 CG HIS A 61 -1.865 -6.297 -14.781 1.00 13.13 C ATOM 940 ND1 HIS A 61 -2.165 -7.624 -14.543 1.00 10.04 N ATOM 941 CD2 HIS A 61 -0.530 -6.184 -14.615 1.00 42.22 C ATOM 942 CE1 HIS A 61 -1.063 -8.278 -14.259 1.00 63.02 C ATOM 943 NE2 HIS A 61 -0.058 -7.431 -14.296 1.00 23.31 N ATOM 0 H HIS A 61 -4.475 -3.679 -16.325 1.00 52.10 H new ATOM 0 HA HIS A 61 -2.062 -4.977 -17.172 1.00 54.13 H new ATOM 0 HB2 HIS A 61 -2.611 -4.296 -14.793 1.00 3.03 H new ATOM 0 HB3 HIS A 61 -3.857 -5.528 -14.758 1.00 3.03 H new ATOM 0 HD1 HIS A 61 -3.099 -8.033 -14.582 1.00 10.04 H new ATOM 0 HD2 HIS A 61 0.055 -5.282 -14.715 1.00 42.22 H new ATOM 0 HE1 HIS A 61 -0.994 -9.332 -14.033 1.00 63.02 H new ATOM 952 N HIS A 62 -4.909 -6.599 -17.484 1.00 54.13 N ATOM 953 CA HIS A 62 -5.521 -7.814 -18.071 1.00 1.41 C ATOM 954 C HIS A 62 -5.375 -7.815 -19.605 1.00 30.14 C ATOM 955 O HIS A 62 -5.331 -8.874 -20.231 1.00 0.22 O ATOM 956 CB HIS A 62 -7.005 -7.942 -17.646 1.00 25.12 C ATOM 957 CG HIS A 62 -7.681 -9.216 -18.112 1.00 31.22 C ATOM 958 ND1 HIS A 62 -7.112 -10.464 -17.963 1.00 15.43 N ATOM 959 CD2 HIS A 62 -8.873 -9.431 -18.726 1.00 2.44 C ATOM 960 CE1 HIS A 62 -7.915 -11.377 -18.464 1.00 35.31 C ATOM 961 NE2 HIS A 62 -8.990 -10.777 -18.934 1.00 32.54 N ATOM 0 H HIS A 62 -5.577 -5.871 -17.233 1.00 54.13 H new ATOM 0 HA HIS A 62 -4.989 -8.684 -17.687 1.00 1.41 H new ATOM 0 HB2 HIS A 62 -7.065 -7.890 -16.559 1.00 25.12 H new ATOM 0 HB3 HIS A 62 -7.558 -7.088 -18.037 1.00 25.12 H new ATOM 0 HD2 HIS A 62 -9.596 -8.677 -19.000 1.00 2.44 H new ATOM 0 HE1 HIS A 62 -7.725 -12.440 -18.486 1.00 35.31 H new ATOM 0 HE2 HIS A 62 -9.781 -11.241 -19.380 1.00 32.54 H new ATOM 970 N GLN A 63 -5.298 -6.612 -20.197 1.00 43.22 N ATOM 971 CA GLN A 63 -5.071 -6.429 -21.644 1.00 61.42 C ATOM 972 C GLN A 63 -3.574 -6.579 -21.971 1.00 13.13 C ATOM 973 O GLN A 63 -3.207 -7.096 -23.026 1.00 34.23 O ATOM 974 CB GLN A 63 -5.592 -5.029 -22.091 1.00 22.35 C ATOM 975 CG GLN A 63 -7.112 -4.813 -21.916 1.00 71.33 C ATOM 976 CD GLN A 63 -7.967 -5.803 -22.704 1.00 74.04 C ATOM 977 OE1 GLN A 63 -8.348 -5.553 -23.851 1.00 12.21 O ATOM 978 NE2 GLN A 63 -8.267 -6.936 -22.098 1.00 42.02 N ATOM 0 H GLN A 63 -5.391 -5.734 -19.686 1.00 43.22 H new ATOM 0 HA GLN A 63 -5.620 -7.196 -22.190 1.00 61.42 H new ATOM 0 HB2 GLN A 63 -5.063 -4.263 -21.524 1.00 22.35 H new ATOM 0 HB3 GLN A 63 -5.337 -4.881 -23.140 1.00 22.35 H new ATOM 0 HG2 GLN A 63 -7.362 -4.892 -20.858 1.00 71.33 H new ATOM 0 HG3 GLN A 63 -7.364 -3.800 -22.228 1.00 71.33 H new ATOM 0 HE21 GLN A 63 -7.936 -7.110 -21.149 1.00 42.02 H new ATOM 0 HE22 GLN A 63 -8.830 -7.638 -22.578 1.00 42.02 H new ATOM 987 N HIS A 64 -2.725 -6.097 -21.046 1.00 51.23 N ATOM 988 CA HIS A 64 -1.253 -6.139 -21.156 1.00 73.13 C ATOM 989 C HIS A 64 -0.684 -6.550 -19.780 1.00 11.20 C ATOM 990 O HIS A 64 -0.505 -5.685 -18.908 1.00 44.34 O ATOM 991 CB HIS A 64 -0.672 -4.757 -21.595 1.00 14.32 C ATOM 992 CG HIS A 64 -1.068 -4.301 -22.982 1.00 54.11 C ATOM 993 ND1 HIS A 64 -0.234 -4.397 -24.076 1.00 35.03 N ATOM 994 CD2 HIS A 64 -2.212 -3.737 -23.442 1.00 70.44 C ATOM 995 CE1 HIS A 64 -0.848 -3.916 -25.139 1.00 12.43 C ATOM 996 NE2 HIS A 64 -2.047 -3.509 -24.783 1.00 43.24 N ATOM 0 H HIS A 64 -3.048 -5.658 -20.183 1.00 51.23 H new ATOM 0 HA HIS A 64 -0.967 -6.862 -21.920 1.00 73.13 H new ATOM 0 HB2 HIS A 64 -0.992 -4.002 -20.877 1.00 14.32 H new ATOM 0 HB3 HIS A 64 0.416 -4.805 -21.543 1.00 14.32 H new ATOM 0 HD2 HIS A 64 -3.092 -3.509 -22.859 1.00 70.44 H new ATOM 0 HE1 HIS A 64 -0.435 -3.865 -26.136 1.00 12.43 H new ATOM 0 HE2 HIS A 64 -2.741 -3.092 -25.404 1.00 43.24 H new ATOM 1005 N PRO A 65 -0.459 -7.890 -19.535 1.00 41.33 N ATOM 1006 CA PRO A 65 0.077 -8.407 -18.242 1.00 53.42 C ATOM 1007 C PRO A 65 1.438 -7.793 -17.868 1.00 3.21 C ATOM 1008 O PRO A 65 1.703 -7.507 -16.692 1.00 14.40 O ATOM 1009 CB PRO A 65 0.181 -9.945 -18.472 1.00 15.43 C ATOM 1010 CG PRO A 65 0.131 -10.125 -19.963 1.00 74.54 C ATOM 1011 CD PRO A 65 -0.742 -9.006 -20.480 1.00 70.32 C ATOM 0 HA PRO A 65 -0.567 -8.144 -17.403 1.00 53.42 H new ATOM 0 HB2 PRO A 65 1.107 -10.343 -18.058 1.00 15.43 H new ATOM 0 HB3 PRO A 65 -0.639 -10.472 -17.984 1.00 15.43 H new ATOM 0 HG2 PRO A 65 1.130 -10.075 -20.397 1.00 74.54 H new ATOM 0 HG3 PRO A 65 -0.283 -11.098 -20.226 1.00 74.54 H new ATOM 0 HD2 PRO A 65 -0.489 -8.739 -21.506 1.00 70.32 H new ATOM 0 HD3 PRO A 65 -1.796 -9.282 -20.473 1.00 70.32 H new ATOM 1019 N GLY A 66 2.282 -7.581 -18.889 1.00 44.23 N ATOM 1020 CA GLY A 66 3.623 -7.050 -18.701 1.00 65.02 C ATOM 1021 C GLY A 66 4.558 -8.072 -18.070 1.00 13.21 C ATOM 1022 O GLY A 66 5.153 -8.888 -18.784 1.00 35.14 O ATOM 0 H GLY A 66 2.047 -7.775 -19.862 1.00 44.23 H new ATOM 0 HA2 GLY A 66 4.026 -6.735 -19.663 1.00 65.02 H new ATOM 0 HA3 GLY A 66 3.576 -6.163 -18.069 1.00 65.02 H new ATOM 1026 N GLY A 67 4.666 -8.045 -16.726 1.00 25.42 N ATOM 1027 CA GLY A 67 5.549 -8.950 -15.976 1.00 72.05 C ATOM 1028 C GLY A 67 6.982 -8.428 -15.901 1.00 11.50 C ATOM 1029 O GLY A 67 7.558 -8.321 -14.809 1.00 32.42 O ATOM 0 H GLY A 67 4.144 -7.397 -16.136 1.00 25.42 H new ATOM 0 HA2 GLY A 67 5.159 -9.081 -14.967 1.00 72.05 H new ATOM 0 HA3 GLY A 67 5.546 -9.932 -16.449 1.00 72.05 H new ATOM 1033 N SER A 68 7.546 -8.105 -17.074 1.00 11.21 N ATOM 1034 CA SER A 68 8.889 -7.518 -17.212 1.00 64.34 C ATOM 1035 C SER A 68 8.869 -6.002 -16.917 1.00 2.13 C ATOM 1036 O SER A 68 7.809 -5.420 -16.634 1.00 5.25 O ATOM 1037 CB SER A 68 9.391 -7.796 -18.650 1.00 54.14 C ATOM 1038 OG SER A 68 8.447 -7.342 -19.619 1.00 24.50 O ATOM 0 H SER A 68 7.075 -8.246 -17.968 1.00 11.21 H new ATOM 0 HA SER A 68 9.565 -7.972 -16.487 1.00 64.34 H new ATOM 0 HB2 SER A 68 10.347 -7.297 -18.808 1.00 54.14 H new ATOM 0 HB3 SER A 68 9.564 -8.865 -18.778 1.00 54.14 H new ATOM 0 HG SER A 68 8.787 -7.527 -20.519 1.00 24.50 H new ATOM 1044 N GLY A 69 10.056 -5.379 -16.959 1.00 5.40 N ATOM 1045 CA GLY A 69 10.187 -3.931 -16.834 1.00 43.05 C ATOM 1046 C GLY A 69 9.932 -3.235 -18.166 1.00 44.41 C ATOM 1047 O GLY A 69 10.871 -3.033 -18.951 1.00 4.51 O ATOM 0 H GLY A 69 10.944 -5.867 -17.080 1.00 5.40 H new ATOM 0 HA2 GLY A 69 9.482 -3.563 -16.088 1.00 43.05 H new ATOM 0 HA3 GLY A 69 11.187 -3.684 -16.477 1.00 43.05 H new ATOM 1051 N LEU A 70 8.648 -2.914 -18.439 1.00 5.12 N ATOM 1052 CA LEU A 70 8.225 -2.197 -19.663 1.00 73.43 C ATOM 1053 C LEU A 70 8.831 -0.779 -19.672 1.00 32.14 C ATOM 1054 O LEU A 70 8.289 0.144 -19.053 1.00 54.15 O ATOM 1055 CB LEU A 70 6.661 -2.135 -19.784 1.00 55.34 C ATOM 1056 CG LEU A 70 5.922 -3.440 -20.259 1.00 54.03 C ATOM 1057 CD1 LEU A 70 6.226 -4.648 -19.357 1.00 34.40 C ATOM 1058 CD2 LEU A 70 4.393 -3.207 -20.375 1.00 5.42 C ATOM 0 H LEU A 70 7.874 -3.145 -17.816 1.00 5.12 H new ATOM 0 HA LEU A 70 8.594 -2.749 -20.528 1.00 73.43 H new ATOM 0 HB2 LEU A 70 6.258 -1.855 -18.811 1.00 55.34 H new ATOM 0 HB3 LEU A 70 6.408 -1.333 -20.477 1.00 55.34 H new ATOM 0 HG LEU A 70 6.310 -3.677 -21.250 1.00 54.03 H new ATOM 0 HD11 LEU A 70 5.692 -5.523 -19.728 1.00 34.40 H new ATOM 0 HD12 LEU A 70 7.298 -4.847 -19.364 1.00 34.40 H new ATOM 0 HD13 LEU A 70 5.904 -4.432 -18.338 1.00 34.40 H new ATOM 0 HD21 LEU A 70 3.909 -4.126 -20.705 1.00 5.42 H new ATOM 0 HD22 LEU A 70 3.995 -2.916 -19.403 1.00 5.42 H new ATOM 0 HD23 LEU A 70 4.200 -2.415 -21.098 1.00 5.42 H new ATOM 1070 N ASP A 71 9.999 -0.639 -20.333 1.00 40.23 N ATOM 1071 CA ASP A 71 10.690 0.654 -20.494 1.00 51.12 C ATOM 1072 C ASP A 71 10.034 1.457 -21.638 1.00 12.13 C ATOM 1073 O ASP A 71 10.574 1.572 -22.749 1.00 62.25 O ATOM 1074 CB ASP A 71 12.214 0.436 -20.733 1.00 15.01 C ATOM 1075 CG ASP A 71 13.010 1.752 -20.884 1.00 74.25 C ATOM 1076 OD1 ASP A 71 13.557 2.023 -21.980 1.00 4.31 O ATOM 1077 OD2 ASP A 71 13.077 2.528 -19.911 1.00 22.02 O ATOM 0 H ASP A 71 10.488 -1.420 -20.770 1.00 40.23 H new ATOM 0 HA ASP A 71 10.591 1.234 -19.577 1.00 51.12 H new ATOM 0 HB2 ASP A 71 12.626 -0.135 -19.901 1.00 15.01 H new ATOM 0 HB3 ASP A 71 12.350 -0.166 -21.631 1.00 15.01 H new ATOM 1082 N ASP A 72 8.830 1.953 -21.344 1.00 32.04 N ATOM 1083 CA ASP A 72 7.990 2.709 -22.275 1.00 3.41 C ATOM 1084 C ASP A 72 6.808 3.278 -21.485 1.00 73.22 C ATOM 1085 O ASP A 72 6.046 2.517 -20.879 1.00 32.30 O ATOM 1086 CB ASP A 72 7.480 1.804 -23.433 1.00 30.14 C ATOM 1087 CG ASP A 72 6.553 2.540 -24.413 1.00 72.13 C ATOM 1088 OD1 ASP A 72 7.024 3.496 -25.074 1.00 4.44 O ATOM 1089 OD2 ASP A 72 5.361 2.173 -24.527 1.00 54.44 O ATOM 0 H ASP A 72 8.401 1.836 -20.426 1.00 32.04 H new ATOM 0 HA ASP A 72 8.572 3.513 -22.726 1.00 3.41 H new ATOM 0 HB2 ASP A 72 8.336 1.408 -23.980 1.00 30.14 H new ATOM 0 HB3 ASP A 72 6.949 0.951 -23.012 1.00 30.14 H new ATOM 1094 N ILE A 73 6.695 4.617 -21.458 1.00 53.42 N ATOM 1095 CA ILE A 73 5.592 5.319 -20.778 1.00 51.02 C ATOM 1096 C ILE A 73 4.384 5.418 -21.740 1.00 41.15 C ATOM 1097 O ILE A 73 4.481 6.102 -22.770 1.00 40.33 O ATOM 1098 CB ILE A 73 6.036 6.761 -20.307 1.00 32.11 C ATOM 1099 CG1 ILE A 73 7.293 6.662 -19.378 1.00 24.51 C ATOM 1100 CG2 ILE A 73 4.868 7.510 -19.598 1.00 30.44 C ATOM 1101 CD1 ILE A 73 7.884 7.994 -18.938 1.00 54.23 C ATOM 0 H ILE A 73 7.364 5.243 -21.906 1.00 53.42 H new ATOM 0 HA ILE A 73 5.311 4.753 -19.890 1.00 51.02 H new ATOM 0 HB ILE A 73 6.304 7.343 -21.189 1.00 32.11 H new ATOM 0 HG12 ILE A 73 7.023 6.092 -18.489 1.00 24.51 H new ATOM 0 HG13 ILE A 73 8.065 6.095 -19.898 1.00 24.51 H new ATOM 0 HG21 ILE A 73 5.206 8.498 -19.286 1.00 30.44 H new ATOM 0 HG22 ILE A 73 4.030 7.614 -20.288 1.00 30.44 H new ATOM 0 HG23 ILE A 73 4.550 6.943 -18.723 1.00 30.44 H new ATOM 0 HD11 ILE A 73 8.749 7.815 -18.299 1.00 54.23 H new ATOM 0 HD12 ILE A 73 8.192 8.563 -19.815 1.00 54.23 H new ATOM 0 HD13 ILE A 73 7.135 8.559 -18.384 1.00 54.23 H new ATOM 1113 N PRO A 74 3.244 4.705 -21.452 1.00 11.05 N ATOM 1114 CA PRO A 74 2.026 4.784 -22.281 1.00 73.31 C ATOM 1115 C PRO A 74 1.234 6.089 -21.983 1.00 24.43 C ATOM 1116 O PRO A 74 1.014 6.411 -20.806 1.00 14.24 O ATOM 1117 CB PRO A 74 1.221 3.506 -21.881 1.00 1.30 C ATOM 1118 CG PRO A 74 2.107 2.740 -20.929 1.00 61.11 C ATOM 1119 CD PRO A 74 3.038 3.762 -20.322 1.00 74.43 C ATOM 0 HA PRO A 74 2.237 4.818 -23.350 1.00 73.31 H new ATOM 0 HB2 PRO A 74 0.276 3.772 -21.407 1.00 1.30 H new ATOM 0 HB3 PRO A 74 0.980 2.906 -22.758 1.00 1.30 H new ATOM 0 HG2 PRO A 74 1.517 2.243 -20.159 1.00 61.11 H new ATOM 0 HG3 PRO A 74 2.666 1.964 -21.453 1.00 61.11 H new ATOM 0 HD2 PRO A 74 2.595 4.254 -19.456 1.00 74.43 H new ATOM 0 HD3 PRO A 74 3.974 3.314 -19.989 1.00 74.43 H new ATOM 1127 N PRO A 75 0.828 6.873 -23.043 1.00 33.34 N ATOM 1128 CA PRO A 75 -0.001 8.107 -22.894 1.00 34.04 C ATOM 1129 C PRO A 75 -1.245 7.925 -21.998 1.00 12.00 C ATOM 1130 O PRO A 75 -1.598 8.824 -21.233 1.00 21.33 O ATOM 1131 CB PRO A 75 -0.415 8.421 -24.350 1.00 71.44 C ATOM 1132 CG PRO A 75 0.722 7.903 -25.177 1.00 2.00 C ATOM 1133 CD PRO A 75 1.189 6.643 -24.474 1.00 65.45 C ATOM 0 HA PRO A 75 0.556 8.902 -22.399 1.00 34.04 H new ATOM 0 HB2 PRO A 75 -1.353 7.931 -24.612 1.00 71.44 H new ATOM 0 HB3 PRO A 75 -0.561 9.491 -24.500 1.00 71.44 H new ATOM 0 HG2 PRO A 75 0.401 7.688 -26.196 1.00 2.00 H new ATOM 0 HG3 PRO A 75 1.525 8.637 -25.244 1.00 2.00 H new ATOM 0 HD2 PRO A 75 0.695 5.757 -24.873 1.00 65.45 H new ATOM 0 HD3 PRO A 75 2.262 6.492 -24.596 1.00 65.45 H new ATOM 1141 N TYR A 76 -1.892 6.747 -22.119 1.00 13.22 N ATOM 1142 CA TYR A 76 -3.082 6.381 -21.324 1.00 12.10 C ATOM 1143 C TYR A 76 -2.788 6.422 -19.812 1.00 14.45 C ATOM 1144 O TYR A 76 -3.476 7.120 -19.064 1.00 32.24 O ATOM 1145 CB TYR A 76 -3.600 4.973 -21.748 1.00 52.22 C ATOM 1146 CG TYR A 76 -4.668 4.372 -20.812 1.00 72.01 C ATOM 1147 CD1 TYR A 76 -5.952 4.918 -20.734 1.00 42.44 C ATOM 1148 CD2 TYR A 76 -4.375 3.276 -19.987 1.00 31.43 C ATOM 1149 CE1 TYR A 76 -6.897 4.393 -19.872 1.00 22.13 C ATOM 1150 CE2 TYR A 76 -5.319 2.749 -19.133 1.00 61.52 C ATOM 1151 CZ TYR A 76 -6.574 3.312 -19.073 1.00 11.14 C ATOM 1152 OH TYR A 76 -7.507 2.791 -18.211 1.00 72.24 O ATOM 0 H TYR A 76 -1.602 6.020 -22.774 1.00 13.22 H new ATOM 0 HA TYR A 76 -3.860 7.118 -21.524 1.00 12.10 H new ATOM 0 HB2 TYR A 76 -4.014 5.041 -22.754 1.00 52.22 H new ATOM 0 HB3 TYR A 76 -2.753 4.289 -21.798 1.00 52.22 H new ATOM 0 HD1 TYR A 76 -6.210 5.762 -21.356 1.00 42.44 H new ATOM 0 HD2 TYR A 76 -3.389 2.836 -20.022 1.00 31.43 H new ATOM 0 HE1 TYR A 76 -7.885 4.826 -19.823 1.00 22.13 H new ATOM 0 HE2 TYR A 76 -5.076 1.898 -18.514 1.00 61.52 H new ATOM 0 HH TYR A 76 -7.253 1.876 -17.969 1.00 72.24 H new ATOM 1162 N ASP A 77 -1.755 5.678 -19.394 1.00 21.42 N ATOM 1163 CA ASP A 77 -1.393 5.512 -17.970 1.00 13.41 C ATOM 1164 C ASP A 77 -0.840 6.817 -17.375 1.00 34.00 C ATOM 1165 O ASP A 77 -0.945 7.056 -16.165 1.00 75.00 O ATOM 1166 CB ASP A 77 -0.384 4.349 -17.806 1.00 71.40 C ATOM 1167 CG ASP A 77 -0.960 3.004 -18.288 1.00 51.51 C ATOM 1168 OD1 ASP A 77 -1.377 2.170 -17.451 1.00 40.02 O ATOM 1169 OD2 ASP A 77 -1.026 2.795 -19.522 1.00 23.11 O ATOM 0 H ASP A 77 -1.142 5.171 -20.032 1.00 21.42 H new ATOM 0 HA ASP A 77 -2.298 5.264 -17.415 1.00 13.41 H new ATOM 0 HB2 ASP A 77 0.523 4.576 -18.367 1.00 71.40 H new ATOM 0 HB3 ASP A 77 -0.097 4.264 -16.758 1.00 71.40 H new ATOM 1174 N ARG A 78 -0.244 7.654 -18.241 1.00 1.51 N ATOM 1175 CA ARG A 78 0.220 8.997 -17.869 1.00 20.20 C ATOM 1176 C ARG A 78 -0.983 9.911 -17.533 1.00 14.12 C ATOM 1177 O ARG A 78 -1.001 10.559 -16.479 1.00 41.32 O ATOM 1178 CB ARG A 78 1.077 9.604 -19.009 1.00 21.01 C ATOM 1179 CG ARG A 78 1.644 11.008 -18.695 1.00 22.42 C ATOM 1180 CD ARG A 78 2.467 11.597 -19.853 1.00 24.31 C ATOM 1181 NE ARG A 78 2.896 12.987 -19.581 1.00 71.42 N ATOM 1182 CZ ARG A 78 2.459 14.087 -20.219 1.00 13.40 C ATOM 1183 NH1 ARG A 78 1.559 14.009 -21.199 1.00 52.43 N ATOM 1184 NH2 ARG A 78 2.922 15.278 -19.864 1.00 55.43 N ATOM 0 H ARG A 78 -0.071 7.417 -19.218 1.00 1.51 H new ATOM 0 HA ARG A 78 0.844 8.919 -16.978 1.00 20.20 H new ATOM 0 HB2 ARG A 78 1.906 8.929 -19.224 1.00 21.01 H new ATOM 0 HB3 ARG A 78 0.471 9.663 -19.913 1.00 21.01 H new ATOM 0 HG2 ARG A 78 0.820 11.683 -18.462 1.00 22.42 H new ATOM 0 HG3 ARG A 78 2.270 10.950 -17.804 1.00 22.42 H new ATOM 0 HD2 ARG A 78 3.345 10.975 -20.026 1.00 24.31 H new ATOM 0 HD3 ARG A 78 1.874 11.574 -20.767 1.00 24.31 H new ATOM 0 HE ARG A 78 3.586 13.123 -18.842 1.00 71.42 H new ATOM 0 HH11 ARG A 78 1.187 13.101 -21.479 1.00 52.43 H new ATOM 0 HH12 ARG A 78 1.242 14.857 -21.669 1.00 52.43 H new ATOM 0 HH21 ARG A 78 3.606 15.356 -19.111 1.00 55.43 H new ATOM 0 HH22 ARG A 78 2.595 16.116 -20.344 1.00 55.43 H new ATOM 1198 N ASP A 79 -1.992 9.923 -18.432 1.00 21.32 N ATOM 1199 CA ASP A 79 -3.251 10.687 -18.236 1.00 24.42 C ATOM 1200 C ASP A 79 -4.091 10.112 -17.085 1.00 43.25 C ATOM 1201 O ASP A 79 -4.901 10.826 -16.484 1.00 65.13 O ATOM 1202 CB ASP A 79 -4.097 10.725 -19.542 1.00 31.13 C ATOM 1203 CG ASP A 79 -3.583 11.749 -20.565 1.00 32.42 C ATOM 1204 OD1 ASP A 79 -2.983 11.357 -21.588 1.00 51.31 O ATOM 1205 OD2 ASP A 79 -3.778 12.961 -20.341 1.00 45.30 O ATOM 0 H ASP A 79 -1.960 9.407 -19.311 1.00 21.32 H new ATOM 0 HA ASP A 79 -2.965 11.706 -17.974 1.00 24.42 H new ATOM 0 HB2 ASP A 79 -4.096 9.734 -19.997 1.00 31.13 H new ATOM 0 HB3 ASP A 79 -5.131 10.960 -19.291 1.00 31.13 H new ATOM 1210 N PHE A 80 -3.890 8.813 -16.801 1.00 14.45 N ATOM 1211 CA PHE A 80 -4.545 8.108 -15.687 1.00 50.11 C ATOM 1212 C PHE A 80 -4.120 8.720 -14.336 1.00 1.24 C ATOM 1213 O PHE A 80 -4.954 8.957 -13.453 1.00 31.31 O ATOM 1214 CB PHE A 80 -4.196 6.592 -15.746 1.00 3.24 C ATOM 1215 CG PHE A 80 -4.756 5.786 -14.586 1.00 63.54 C ATOM 1216 CD1 PHE A 80 -6.091 5.408 -14.576 1.00 24.15 C ATOM 1217 CD2 PHE A 80 -3.957 5.433 -13.489 1.00 50.31 C ATOM 1218 CE1 PHE A 80 -6.611 4.713 -13.517 1.00 20.23 C ATOM 1219 CE2 PHE A 80 -4.484 4.731 -12.427 1.00 61.14 C ATOM 1220 CZ PHE A 80 -5.814 4.374 -12.441 1.00 1.12 C ATOM 0 H PHE A 80 -3.263 8.219 -17.343 1.00 14.45 H new ATOM 0 HA PHE A 80 -5.625 8.220 -15.780 1.00 50.11 H new ATOM 0 HB2 PHE A 80 -4.575 6.178 -16.680 1.00 3.24 H new ATOM 0 HB3 PHE A 80 -3.112 6.479 -15.764 1.00 3.24 H new ATOM 0 HD1 PHE A 80 -6.726 5.664 -15.411 1.00 24.15 H new ATOM 0 HD2 PHE A 80 -2.915 5.715 -13.476 1.00 50.31 H new ATOM 0 HE1 PHE A 80 -7.653 4.428 -13.523 1.00 20.23 H new ATOM 0 HE2 PHE A 80 -3.858 4.462 -11.589 1.00 61.14 H new ATOM 0 HZ PHE A 80 -6.235 3.828 -11.609 1.00 1.12 H new ATOM 1230 N CYS A 81 -2.807 8.976 -14.209 1.00 44.13 N ATOM 1231 CA CYS A 81 -2.206 9.550 -12.995 1.00 12.34 C ATOM 1232 C CYS A 81 -2.511 11.063 -12.861 1.00 55.15 C ATOM 1233 O CYS A 81 -2.295 11.643 -11.789 1.00 61.22 O ATOM 1234 CB CYS A 81 -0.682 9.294 -13.016 1.00 31.44 C ATOM 1235 SG CYS A 81 -0.242 7.544 -13.138 1.00 14.45 S ATOM 0 H CYS A 81 -2.131 8.789 -14.949 1.00 44.13 H new ATOM 0 HA CYS A 81 -2.646 9.063 -12.125 1.00 12.34 H new ATOM 0 HB2 CYS A 81 -0.244 9.830 -13.858 1.00 31.44 H new ATOM 0 HB3 CYS A 81 -0.240 9.709 -12.110 1.00 31.44 H new ATOM 0 HG CYS A 81 -0.465 7.124 -14.348 1.00 14.45 H new ATOM 1241 N LYS A 82 -3.021 11.692 -13.951 1.00 63.34 N ATOM 1242 CA LYS A 82 -3.420 13.114 -13.946 1.00 34.12 C ATOM 1243 C LYS A 82 -4.799 13.271 -13.283 1.00 42.10 C ATOM 1244 O LYS A 82 -5.839 13.255 -13.953 1.00 14.21 O ATOM 1245 CB LYS A 82 -3.442 13.701 -15.387 1.00 4.34 C ATOM 1246 CG LYS A 82 -2.090 13.659 -16.114 1.00 22.04 C ATOM 1247 CD LYS A 82 -0.973 14.393 -15.343 1.00 53.00 C ATOM 1248 CE LYS A 82 0.372 14.341 -16.074 1.00 14.23 C ATOM 1249 NZ LYS A 82 0.331 15.032 -17.387 1.00 22.34 N ATOM 0 H LYS A 82 -3.164 11.228 -14.848 1.00 63.34 H new ATOM 0 HA LYS A 82 -2.681 13.672 -13.371 1.00 34.12 H new ATOM 0 HB2 LYS A 82 -4.175 13.152 -15.978 1.00 4.34 H new ATOM 0 HB3 LYS A 82 -3.782 14.735 -15.339 1.00 4.34 H new ATOM 0 HG2 LYS A 82 -1.797 12.620 -16.267 1.00 22.04 H new ATOM 0 HG3 LYS A 82 -2.199 14.108 -17.101 1.00 22.04 H new ATOM 0 HD2 LYS A 82 -1.262 15.433 -15.193 1.00 53.00 H new ATOM 0 HD3 LYS A 82 -0.864 13.947 -14.355 1.00 53.00 H new ATOM 0 HE2 LYS A 82 1.139 14.799 -15.450 1.00 14.23 H new ATOM 0 HE3 LYS A 82 0.661 13.301 -16.223 1.00 14.23 H new ATOM 0 HZ1 LYS A 82 1.292 15.088 -17.780 1.00 22.34 H new ATOM 0 HZ2 LYS A 82 -0.280 14.501 -18.040 1.00 22.34 H new ATOM 0 HZ3 LYS A 82 -0.048 15.992 -17.262 1.00 22.34 H new ATOM 1263 N VAL A 83 -4.782 13.333 -11.947 1.00 71.51 N ATOM 1264 CA VAL A 83 -5.968 13.585 -11.104 1.00 73.44 C ATOM 1265 C VAL A 83 -5.619 14.671 -10.062 1.00 74.42 C ATOM 1266 O VAL A 83 -4.444 15.031 -9.915 1.00 21.41 O ATOM 1267 CB VAL A 83 -6.466 12.263 -10.392 1.00 52.45 C ATOM 1268 CG1 VAL A 83 -6.971 11.210 -11.413 1.00 3.45 C ATOM 1269 CG2 VAL A 83 -5.372 11.659 -9.481 1.00 65.30 C ATOM 0 H VAL A 83 -3.927 13.207 -11.405 1.00 71.51 H new ATOM 0 HA VAL A 83 -6.785 13.932 -11.737 1.00 73.44 H new ATOM 0 HB VAL A 83 -7.310 12.546 -9.763 1.00 52.45 H new ATOM 0 HG11 VAL A 83 -7.303 10.318 -10.882 1.00 3.45 H new ATOM 0 HG12 VAL A 83 -7.803 11.625 -11.982 1.00 3.45 H new ATOM 0 HG13 VAL A 83 -6.162 10.946 -12.094 1.00 3.45 H new ATOM 0 HG21 VAL A 83 -5.751 10.752 -9.009 1.00 65.30 H new ATOM 0 HG22 VAL A 83 -4.493 11.417 -10.079 1.00 65.30 H new ATOM 0 HG23 VAL A 83 -5.099 12.381 -8.712 1.00 65.30 H new ATOM 1279 N ASP A 84 -6.639 15.188 -9.346 1.00 43.35 N ATOM 1280 CA ASP A 84 -6.453 16.270 -8.344 1.00 33.30 C ATOM 1281 C ASP A 84 -5.821 15.693 -7.049 1.00 53.21 C ATOM 1282 O ASP A 84 -5.733 14.469 -6.905 1.00 44.11 O ATOM 1283 CB ASP A 84 -7.819 16.974 -8.057 1.00 34.00 C ATOM 1284 CG ASP A 84 -7.653 18.436 -7.578 1.00 24.45 C ATOM 1285 OD1 ASP A 84 -7.554 18.685 -6.362 1.00 4.21 O ATOM 1286 OD2 ASP A 84 -7.595 19.345 -8.436 1.00 74.43 O ATOM 0 H ASP A 84 -7.605 14.875 -9.440 1.00 43.35 H new ATOM 0 HA ASP A 84 -5.769 17.020 -8.741 1.00 33.30 H new ATOM 0 HB2 ASP A 84 -8.427 16.960 -8.962 1.00 34.00 H new ATOM 0 HB3 ASP A 84 -8.362 16.408 -7.300 1.00 34.00 H new ATOM 1291 N GLN A 85 -5.397 16.578 -6.117 1.00 45.12 N ATOM 1292 CA GLN A 85 -4.634 16.183 -4.909 1.00 74.31 C ATOM 1293 C GLN A 85 -5.414 15.210 -3.969 1.00 35.14 C ATOM 1294 O GLN A 85 -4.864 14.151 -3.634 1.00 5.21 O ATOM 1295 CB GLN A 85 -4.097 17.437 -4.137 1.00 55.24 C ATOM 1296 CG GLN A 85 -3.313 17.132 -2.831 1.00 14.43 C ATOM 1297 CD GLN A 85 -2.018 16.317 -3.003 1.00 51.25 C ATOM 1298 OE1 GLN A 85 -1.874 15.504 -3.909 1.00 43.43 O ATOM 1299 NE2 GLN A 85 -1.077 16.497 -2.094 1.00 1.01 N ATOM 0 H GLN A 85 -5.573 17.581 -6.180 1.00 45.12 H new ATOM 0 HA GLN A 85 -3.775 15.616 -5.267 1.00 74.31 H new ATOM 0 HB2 GLN A 85 -3.449 18.004 -4.806 1.00 55.24 H new ATOM 0 HB3 GLN A 85 -4.942 18.080 -3.891 1.00 55.24 H new ATOM 0 HG2 GLN A 85 -3.064 18.078 -2.350 1.00 14.43 H new ATOM 0 HG3 GLN A 85 -3.972 16.592 -2.151 1.00 14.43 H new ATOM 0 HE21 GLN A 85 -1.213 17.178 -1.347 1.00 1.01 H new ATOM 0 HE22 GLN A 85 -0.214 15.955 -2.139 1.00 1.01 H new ATOM 1308 N PRO A 86 -6.699 15.505 -3.526 1.00 21.43 N ATOM 1309 CA PRO A 86 -7.490 14.536 -2.711 1.00 44.13 C ATOM 1310 C PRO A 86 -7.726 13.218 -3.470 1.00 5.22 C ATOM 1311 O PRO A 86 -7.685 12.143 -2.873 1.00 75.20 O ATOM 1312 CB PRO A 86 -8.823 15.283 -2.424 1.00 24.22 C ATOM 1313 CG PRO A 86 -8.905 16.325 -3.500 1.00 30.41 C ATOM 1314 CD PRO A 86 -7.478 16.757 -3.738 1.00 44.30 C ATOM 0 HA PRO A 86 -6.975 14.243 -1.796 1.00 44.13 H new ATOM 0 HB2 PRO A 86 -9.675 14.604 -2.462 1.00 24.22 H new ATOM 0 HB3 PRO A 86 -8.820 15.735 -1.432 1.00 24.22 H new ATOM 0 HG2 PRO A 86 -9.351 15.920 -4.408 1.00 30.41 H new ATOM 0 HG3 PRO A 86 -9.525 17.166 -3.188 1.00 30.41 H new ATOM 0 HD2 PRO A 86 -7.340 17.151 -4.745 1.00 44.30 H new ATOM 0 HD3 PRO A 86 -7.175 17.541 -3.045 1.00 44.30 H new ATOM 1322 N THR A 87 -7.908 13.336 -4.804 1.00 42.22 N ATOM 1323 CA THR A 87 -8.190 12.210 -5.706 1.00 50.11 C ATOM 1324 C THR A 87 -6.979 11.248 -5.809 1.00 70.21 C ATOM 1325 O THR A 87 -7.154 10.035 -5.977 1.00 53.44 O ATOM 1326 CB THR A 87 -8.584 12.760 -7.117 1.00 24.15 C ATOM 1327 OG1 THR A 87 -9.562 13.805 -6.972 1.00 55.45 O ATOM 1328 CG2 THR A 87 -9.150 11.667 -8.040 1.00 13.03 C ATOM 0 H THR A 87 -7.861 14.233 -5.287 1.00 42.22 H new ATOM 0 HA THR A 87 -9.022 11.637 -5.297 1.00 50.11 H new ATOM 0 HB THR A 87 -7.674 13.144 -7.577 1.00 24.15 H new ATOM 0 HG1 THR A 87 -9.806 14.149 -7.856 1.00 55.45 H new ATOM 0 HG21 THR A 87 -9.407 12.103 -9.005 1.00 13.03 H new ATOM 0 HG22 THR A 87 -8.402 10.887 -8.182 1.00 13.03 H new ATOM 0 HG23 THR A 87 -10.043 11.235 -7.588 1.00 13.03 H new ATOM 1336 N LEU A 88 -5.756 11.814 -5.696 1.00 74.43 N ATOM 1337 CA LEU A 88 -4.495 11.044 -5.616 1.00 3.23 C ATOM 1338 C LEU A 88 -4.513 10.126 -4.382 1.00 43.40 C ATOM 1339 O LEU A 88 -4.249 8.925 -4.485 1.00 32.54 O ATOM 1340 CB LEU A 88 -3.272 12.015 -5.559 1.00 3.14 C ATOM 1341 CG LEU A 88 -2.814 12.634 -6.919 1.00 24.32 C ATOM 1342 CD1 LEU A 88 -1.828 13.801 -6.710 1.00 33.24 C ATOM 1343 CD2 LEU A 88 -2.184 11.552 -7.824 1.00 14.55 C ATOM 0 H LEU A 88 -5.616 12.824 -5.658 1.00 74.43 H new ATOM 0 HA LEU A 88 -4.403 10.424 -6.508 1.00 3.23 H new ATOM 0 HB2 LEU A 88 -3.514 12.830 -4.877 1.00 3.14 H new ATOM 0 HB3 LEU A 88 -2.428 11.477 -5.127 1.00 3.14 H new ATOM 0 HG LEU A 88 -3.700 13.033 -7.412 1.00 24.32 H new ATOM 0 HD11 LEU A 88 -1.532 14.205 -7.678 1.00 33.24 H new ATOM 0 HD12 LEU A 88 -2.309 14.583 -6.122 1.00 33.24 H new ATOM 0 HD13 LEU A 88 -0.945 13.441 -6.182 1.00 33.24 H new ATOM 0 HD21 LEU A 88 -1.871 12.002 -8.766 1.00 14.55 H new ATOM 0 HD22 LEU A 88 -1.318 11.119 -7.324 1.00 14.55 H new ATOM 0 HD23 LEU A 88 -2.918 10.770 -8.021 1.00 14.55 H new ATOM 1355 N PHE A 89 -4.874 10.716 -3.225 1.00 1.42 N ATOM 1356 CA PHE A 89 -4.975 9.994 -1.940 1.00 54.24 C ATOM 1357 C PHE A 89 -6.104 8.958 -1.961 1.00 30.00 C ATOM 1358 O PHE A 89 -5.999 7.928 -1.307 1.00 25.50 O ATOM 1359 CB PHE A 89 -5.184 10.986 -0.771 1.00 72.12 C ATOM 1360 CG PHE A 89 -3.986 11.895 -0.527 1.00 34.20 C ATOM 1361 CD1 PHE A 89 -4.053 13.269 -0.748 1.00 14.02 C ATOM 1362 CD2 PHE A 89 -2.790 11.366 -0.063 1.00 74.32 C ATOM 1363 CE1 PHE A 89 -2.965 14.080 -0.515 1.00 20.44 C ATOM 1364 CE2 PHE A 89 -1.703 12.178 0.165 1.00 52.34 C ATOM 1365 CZ PHE A 89 -1.791 13.536 -0.054 1.00 12.15 C ATOM 0 H PHE A 89 -5.104 11.707 -3.155 1.00 1.42 H new ATOM 0 HA PHE A 89 -4.035 9.463 -1.790 1.00 54.24 H new ATOM 0 HB2 PHE A 89 -6.060 11.600 -0.978 1.00 72.12 H new ATOM 0 HB3 PHE A 89 -5.396 10.424 0.139 1.00 72.12 H new ATOM 0 HD1 PHE A 89 -4.973 13.705 -1.108 1.00 14.02 H new ATOM 0 HD2 PHE A 89 -2.712 10.305 0.121 1.00 74.32 H new ATOM 0 HE1 PHE A 89 -3.035 15.143 -0.695 1.00 20.44 H new ATOM 0 HE2 PHE A 89 -0.776 11.749 0.517 1.00 52.34 H new ATOM 0 HZ PHE A 89 -0.939 14.171 0.137 1.00 12.15 H new ATOM 1375 N GLU A 90 -7.172 9.250 -2.721 1.00 13.42 N ATOM 1376 CA GLU A 90 -8.307 8.328 -2.903 1.00 33.03 C ATOM 1377 C GLU A 90 -7.875 7.063 -3.669 1.00 32.14 C ATOM 1378 O GLU A 90 -8.347 5.967 -3.372 1.00 62.12 O ATOM 1379 CB GLU A 90 -9.462 9.035 -3.652 1.00 74.35 C ATOM 1380 CG GLU A 90 -10.151 10.163 -2.866 1.00 71.44 C ATOM 1381 CD GLU A 90 -10.876 9.668 -1.604 1.00 44.54 C ATOM 1382 OE1 GLU A 90 -11.972 9.073 -1.741 1.00 61.21 O ATOM 1383 OE2 GLU A 90 -10.362 9.871 -0.480 1.00 73.54 O ATOM 0 H GLU A 90 -7.274 10.130 -3.226 1.00 13.42 H new ATOM 0 HA GLU A 90 -8.657 8.027 -1.916 1.00 33.03 H new ATOM 0 HB2 GLU A 90 -9.073 9.446 -4.583 1.00 74.35 H new ATOM 0 HB3 GLU A 90 -10.211 8.290 -3.921 1.00 74.35 H new ATOM 0 HG2 GLU A 90 -9.406 10.906 -2.581 1.00 71.44 H new ATOM 0 HG3 GLU A 90 -10.868 10.664 -3.516 1.00 71.44 H new ATOM 1390 N LEU A 91 -6.981 7.242 -4.667 1.00 41.22 N ATOM 1391 CA LEU A 91 -6.406 6.124 -5.449 1.00 15.31 C ATOM 1392 C LEU A 91 -5.425 5.295 -4.588 1.00 43.11 C ATOM 1393 O LEU A 91 -5.340 4.075 -4.749 1.00 31.24 O ATOM 1394 CB LEU A 91 -5.696 6.655 -6.731 1.00 2.03 C ATOM 1395 CG LEU A 91 -6.600 7.347 -7.808 1.00 40.21 C ATOM 1396 CD1 LEU A 91 -5.750 7.904 -8.978 1.00 44.22 C ATOM 1397 CD2 LEU A 91 -7.694 6.383 -8.324 1.00 2.41 C ATOM 0 H LEU A 91 -6.639 8.160 -4.952 1.00 41.22 H new ATOM 0 HA LEU A 91 -7.224 5.472 -5.755 1.00 15.31 H new ATOM 0 HB2 LEU A 91 -4.929 7.366 -6.424 1.00 2.03 H new ATOM 0 HB3 LEU A 91 -5.183 5.819 -7.206 1.00 2.03 H new ATOM 0 HG LEU A 91 -7.099 8.189 -7.329 1.00 40.21 H new ATOM 0 HD11 LEU A 91 -6.404 8.378 -9.709 1.00 44.22 H new ATOM 0 HD12 LEU A 91 -5.041 8.638 -8.595 1.00 44.22 H new ATOM 0 HD13 LEU A 91 -5.206 7.088 -9.453 1.00 44.22 H new ATOM 0 HD21 LEU A 91 -8.305 6.892 -9.070 1.00 2.41 H new ATOM 0 HD22 LEU A 91 -7.225 5.508 -8.774 1.00 2.41 H new ATOM 0 HD23 LEU A 91 -8.324 6.069 -7.492 1.00 2.41 H new ATOM 1409 N ILE A 92 -4.690 5.977 -3.674 1.00 53.23 N ATOM 1410 CA ILE A 92 -3.805 5.318 -2.684 1.00 44.31 C ATOM 1411 C ILE A 92 -4.652 4.453 -1.723 1.00 42.11 C ATOM 1412 O ILE A 92 -4.358 3.272 -1.511 1.00 53.54 O ATOM 1413 CB ILE A 92 -2.954 6.365 -1.848 1.00 51.34 C ATOM 1414 CG1 ILE A 92 -2.027 7.210 -2.779 1.00 34.04 C ATOM 1415 CG2 ILE A 92 -2.124 5.667 -0.735 1.00 24.31 C ATOM 1416 CD1 ILE A 92 -1.211 8.286 -2.073 1.00 1.53 C ATOM 0 H ILE A 92 -4.695 6.995 -3.604 1.00 53.23 H new ATOM 0 HA ILE A 92 -3.105 4.692 -3.237 1.00 44.31 H new ATOM 0 HB ILE A 92 -3.658 7.041 -1.364 1.00 51.34 H new ATOM 0 HG12 ILE A 92 -1.342 6.536 -3.293 1.00 34.04 H new ATOM 0 HG13 ILE A 92 -2.642 7.685 -3.544 1.00 34.04 H new ATOM 0 HG21 ILE A 92 -1.554 6.415 -0.183 1.00 24.31 H new ATOM 0 HG22 ILE A 92 -2.796 5.146 -0.053 1.00 24.31 H new ATOM 0 HG23 ILE A 92 -1.439 4.950 -1.187 1.00 24.31 H new ATOM 0 HD11 ILE A 92 -0.600 8.817 -2.803 1.00 1.53 H new ATOM 0 HD12 ILE A 92 -1.884 8.989 -1.582 1.00 1.53 H new ATOM 0 HD13 ILE A 92 -0.564 7.822 -1.328 1.00 1.53 H new ATOM 1428 N LEU A 93 -5.736 5.064 -1.194 1.00 51.45 N ATOM 1429 CA LEU A 93 -6.645 4.425 -0.223 1.00 73.52 C ATOM 1430 C LEU A 93 -7.354 3.211 -0.846 1.00 74.34 C ATOM 1431 O LEU A 93 -7.430 2.158 -0.220 1.00 1.41 O ATOM 1432 CB LEU A 93 -7.695 5.450 0.310 1.00 3.33 C ATOM 1433 CG LEU A 93 -7.166 6.547 1.292 1.00 55.44 C ATOM 1434 CD1 LEU A 93 -8.277 7.561 1.651 1.00 11.24 C ATOM 1435 CD2 LEU A 93 -6.555 5.913 2.563 1.00 72.41 C ATOM 0 H LEU A 93 -6.004 6.019 -1.432 1.00 51.45 H new ATOM 0 HA LEU A 93 -6.043 4.076 0.616 1.00 73.52 H new ATOM 0 HB2 LEU A 93 -8.149 5.949 -0.546 1.00 3.33 H new ATOM 0 HB3 LEU A 93 -8.487 4.896 0.813 1.00 3.33 H new ATOM 0 HG LEU A 93 -6.373 7.093 0.781 1.00 55.44 H new ATOM 0 HD11 LEU A 93 -7.878 8.311 2.335 1.00 11.24 H new ATOM 0 HD12 LEU A 93 -8.631 8.050 0.743 1.00 11.24 H new ATOM 0 HD13 LEU A 93 -9.106 7.039 2.129 1.00 11.24 H new ATOM 0 HD21 LEU A 93 -6.196 6.700 3.226 1.00 72.41 H new ATOM 0 HD22 LEU A 93 -7.315 5.324 3.077 1.00 72.41 H new ATOM 0 HD23 LEU A 93 -5.723 5.267 2.283 1.00 72.41 H new ATOM 1447 N ALA A 94 -7.837 3.379 -2.090 1.00 54.00 N ATOM 1448 CA ALA A 94 -8.611 2.348 -2.810 1.00 3.33 C ATOM 1449 C ALA A 94 -7.740 1.147 -3.192 1.00 43.41 C ATOM 1450 O ALA A 94 -8.154 -0.005 -3.022 1.00 72.12 O ATOM 1451 CB ALA A 94 -9.247 2.964 -4.061 1.00 11.40 C ATOM 0 H ALA A 94 -7.702 4.236 -2.627 1.00 54.00 H new ATOM 0 HA ALA A 94 -9.393 1.983 -2.143 1.00 3.33 H new ATOM 0 HB1 ALA A 94 -9.818 2.202 -4.592 1.00 11.40 H new ATOM 0 HB2 ALA A 94 -9.911 3.777 -3.769 1.00 11.40 H new ATOM 0 HB3 ALA A 94 -8.465 3.351 -4.714 1.00 11.40 H new ATOM 1457 N ALA A 95 -6.528 1.431 -3.702 1.00 63.31 N ATOM 1458 CA ALA A 95 -5.573 0.392 -4.128 1.00 22.43 C ATOM 1459 C ALA A 95 -5.035 -0.399 -2.923 1.00 63.10 C ATOM 1460 O ALA A 95 -4.826 -1.600 -3.022 1.00 70.43 O ATOM 1461 CB ALA A 95 -4.425 1.016 -4.921 1.00 14.24 C ATOM 0 H ALA A 95 -6.184 2.383 -3.830 1.00 63.31 H new ATOM 0 HA ALA A 95 -6.102 -0.308 -4.775 1.00 22.43 H new ATOM 0 HB1 ALA A 95 -3.729 0.236 -5.228 1.00 14.24 H new ATOM 0 HB2 ALA A 95 -4.822 1.516 -5.804 1.00 14.24 H new ATOM 0 HB3 ALA A 95 -3.904 1.742 -4.297 1.00 14.24 H new ATOM 1467 N ASN A 96 -4.803 0.304 -1.793 1.00 4.34 N ATOM 1468 CA ASN A 96 -4.380 -0.316 -0.518 1.00 51.42 C ATOM 1469 C ASN A 96 -5.534 -1.150 0.098 1.00 61.41 C ATOM 1470 O ASN A 96 -5.312 -2.238 0.636 1.00 53.50 O ATOM 1471 CB ASN A 96 -3.905 0.795 0.466 1.00 1.22 C ATOM 1472 CG ASN A 96 -3.183 0.264 1.704 1.00 53.03 C ATOM 1473 OD1 ASN A 96 -2.554 -0.786 1.664 1.00 23.43 O ATOM 1474 ND2 ASN A 96 -3.237 1.002 2.800 1.00 75.04 N ATOM 0 H ASN A 96 -4.904 1.318 -1.739 1.00 4.34 H new ATOM 0 HA ASN A 96 -3.550 -0.996 -0.709 1.00 51.42 H new ATOM 0 HB2 ASN A 96 -3.240 1.476 -0.065 1.00 1.22 H new ATOM 0 HB3 ASN A 96 -4.770 1.377 0.784 1.00 1.22 H new ATOM 0 HD21 ASN A 96 -2.746 0.701 3.642 1.00 75.04 H new ATOM 0 HD22 ASN A 96 -3.769 1.872 2.803 1.00 75.04 H new ATOM 1481 N TYR A 97 -6.768 -0.620 -0.027 1.00 70.10 N ATOM 1482 CA TYR A 97 -8.016 -1.279 0.443 1.00 21.53 C ATOM 1483 C TYR A 97 -8.284 -2.576 -0.332 1.00 1.32 C ATOM 1484 O TYR A 97 -8.850 -3.523 0.214 1.00 2.02 O ATOM 1485 CB TYR A 97 -9.219 -0.292 0.294 1.00 23.24 C ATOM 1486 CG TYR A 97 -10.631 -0.889 0.493 1.00 65.34 C ATOM 1487 CD1 TYR A 97 -11.567 -0.920 -0.556 1.00 42.22 C ATOM 1488 CD2 TYR A 97 -11.032 -1.402 1.729 1.00 1.00 C ATOM 1489 CE1 TYR A 97 -12.836 -1.444 -0.374 1.00 41.10 C ATOM 1490 CE2 TYR A 97 -12.298 -1.930 1.906 1.00 65.41 C ATOM 1491 CZ TYR A 97 -13.194 -1.945 0.861 1.00 71.40 C ATOM 1492 OH TYR A 97 -14.464 -2.441 1.069 1.00 75.20 O ATOM 0 H TYR A 97 -6.934 0.288 -0.461 1.00 70.10 H new ATOM 0 HA TYR A 97 -7.895 -1.542 1.494 1.00 21.53 H new ATOM 0 HB2 TYR A 97 -9.087 0.517 1.012 1.00 23.24 H new ATOM 0 HB3 TYR A 97 -9.174 0.153 -0.700 1.00 23.24 H new ATOM 0 HD1 TYR A 97 -11.291 -0.527 -1.523 1.00 42.22 H new ATOM 0 HD2 TYR A 97 -10.342 -1.386 2.560 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -13.540 -1.460 -1.193 1.00 41.10 H new ATOM 0 HE2 TYR A 97 -12.584 -2.332 2.867 1.00 65.41 H new ATOM 0 HH TYR A 97 -14.546 -2.754 1.994 1.00 75.20 H new ATOM 1502 N LEU A 98 -7.902 -2.591 -1.615 1.00 70.23 N ATOM 1503 CA LEU A 98 -8.080 -3.758 -2.500 1.00 2.35 C ATOM 1504 C LEU A 98 -6.780 -4.575 -2.637 1.00 24.54 C ATOM 1505 O LEU A 98 -6.789 -5.651 -3.252 1.00 42.32 O ATOM 1506 CB LEU A 98 -8.607 -3.282 -3.881 1.00 15.22 C ATOM 1507 CG LEU A 98 -10.015 -2.598 -3.867 1.00 45.34 C ATOM 1508 CD1 LEU A 98 -10.460 -2.183 -5.288 1.00 30.40 C ATOM 1509 CD2 LEU A 98 -11.068 -3.503 -3.185 1.00 74.12 C ATOM 0 H LEU A 98 -7.459 -1.794 -2.073 1.00 70.23 H new ATOM 0 HA LEU A 98 -8.816 -4.427 -2.054 1.00 2.35 H new ATOM 0 HB2 LEU A 98 -7.887 -2.581 -4.303 1.00 15.22 H new ATOM 0 HB3 LEU A 98 -8.647 -4.141 -4.551 1.00 15.22 H new ATOM 0 HG LEU A 98 -9.931 -1.685 -3.277 1.00 45.34 H new ATOM 0 HD11 LEU A 98 -11.442 -1.712 -5.239 1.00 30.40 H new ATOM 0 HD12 LEU A 98 -9.740 -1.478 -5.704 1.00 30.40 H new ATOM 0 HD13 LEU A 98 -10.513 -3.066 -5.925 1.00 30.40 H new ATOM 0 HD21 LEU A 98 -12.036 -3.002 -3.190 1.00 74.12 H new ATOM 0 HD22 LEU A 98 -11.144 -4.445 -3.728 1.00 74.12 H new ATOM 0 HD23 LEU A 98 -10.767 -3.700 -2.156 1.00 74.12 H new ATOM 1521 N ASP A 99 -5.682 -4.053 -2.045 1.00 51.21 N ATOM 1522 CA ASP A 99 -4.341 -4.688 -2.046 1.00 24.12 C ATOM 1523 C ASP A 99 -3.804 -4.906 -3.477 1.00 31.20 C ATOM 1524 O ASP A 99 -3.019 -5.828 -3.735 1.00 73.11 O ATOM 1525 CB ASP A 99 -4.357 -6.000 -1.205 1.00 33.21 C ATOM 1526 CG ASP A 99 -4.595 -5.742 0.296 1.00 54.12 C ATOM 1527 OD1 ASP A 99 -3.648 -5.869 1.107 1.00 53.23 O ATOM 1528 OD2 ASP A 99 -5.732 -5.387 0.681 1.00 53.10 O ATOM 0 H ASP A 99 -5.701 -3.164 -1.545 1.00 51.21 H new ATOM 0 HA ASP A 99 -3.641 -4.002 -1.568 1.00 24.12 H new ATOM 0 HB2 ASP A 99 -5.137 -6.660 -1.584 1.00 33.21 H new ATOM 0 HB3 ASP A 99 -3.408 -6.521 -1.334 1.00 33.21 H new ATOM 1533 N ILE A 100 -4.223 -4.008 -4.393 1.00 4.11 N ATOM 1534 CA ILE A 100 -3.718 -3.956 -5.767 1.00 34.02 C ATOM 1535 C ILE A 100 -2.353 -3.256 -5.749 1.00 43.12 C ATOM 1536 O ILE A 100 -2.268 -2.027 -5.858 1.00 12.44 O ATOM 1537 CB ILE A 100 -4.726 -3.219 -6.736 1.00 31.15 C ATOM 1538 CG1 ILE A 100 -6.119 -3.911 -6.669 1.00 42.05 C ATOM 1539 CG2 ILE A 100 -4.190 -3.175 -8.199 1.00 3.12 C ATOM 1540 CD1 ILE A 100 -7.222 -3.232 -7.457 1.00 51.15 C ATOM 0 H ILE A 100 -4.926 -3.297 -4.191 1.00 4.11 H new ATOM 0 HA ILE A 100 -3.612 -4.970 -6.152 1.00 34.02 H new ATOM 0 HB ILE A 100 -4.828 -2.185 -6.405 1.00 31.15 H new ATOM 0 HG12 ILE A 100 -6.015 -4.934 -7.030 1.00 42.05 H new ATOM 0 HG13 ILE A 100 -6.426 -3.971 -5.625 1.00 42.05 H new ATOM 0 HG21 ILE A 100 -4.910 -2.661 -8.835 1.00 3.12 H new ATOM 0 HG22 ILE A 100 -3.240 -2.642 -8.222 1.00 3.12 H new ATOM 0 HG23 ILE A 100 -4.045 -4.192 -8.564 1.00 3.12 H new ATOM 0 HD11 ILE A 100 -8.149 -3.794 -7.343 1.00 51.15 H new ATOM 0 HD12 ILE A 100 -7.364 -2.218 -7.084 1.00 51.15 H new ATOM 0 HD13 ILE A 100 -6.947 -3.196 -8.511 1.00 51.15 H new ATOM 1552 N LYS A 101 -1.307 -4.069 -5.538 1.00 44.43 N ATOM 1553 CA LYS A 101 0.089 -3.613 -5.440 1.00 73.15 C ATOM 1554 C LYS A 101 0.571 -2.804 -6.688 1.00 11.41 C ATOM 1555 O LYS A 101 1.224 -1.782 -6.490 1.00 63.40 O ATOM 1556 CB LYS A 101 1.032 -4.820 -5.141 1.00 22.35 C ATOM 1557 CG LYS A 101 2.531 -4.459 -4.991 1.00 70.34 C ATOM 1558 CD LYS A 101 2.793 -3.432 -3.863 1.00 10.53 C ATOM 1559 CE LYS A 101 4.265 -2.997 -3.792 1.00 5.11 C ATOM 1560 NZ LYS A 101 5.166 -4.132 -3.473 1.00 23.41 N ATOM 0 H LYS A 101 -1.408 -5.078 -5.429 1.00 44.43 H new ATOM 0 HA LYS A 101 0.133 -2.912 -4.606 1.00 73.15 H new ATOM 0 HB2 LYS A 101 0.697 -5.305 -4.224 1.00 22.35 H new ATOM 0 HB3 LYS A 101 0.928 -5.550 -5.944 1.00 22.35 H new ATOM 0 HG2 LYS A 101 3.100 -5.367 -4.788 1.00 70.34 H new ATOM 0 HG3 LYS A 101 2.899 -4.056 -5.935 1.00 70.34 H new ATOM 0 HD2 LYS A 101 2.166 -2.555 -4.022 1.00 10.53 H new ATOM 0 HD3 LYS A 101 2.499 -3.865 -2.907 1.00 10.53 H new ATOM 0 HE2 LYS A 101 4.559 -2.557 -4.745 1.00 5.11 H new ATOM 0 HE3 LYS A 101 4.377 -2.221 -3.035 1.00 5.11 H new ATOM 0 HZ1 LYS A 101 5.951 -3.796 -2.879 1.00 23.41 H new ATOM 0 HZ2 LYS A 101 4.634 -4.864 -2.961 1.00 23.41 H new ATOM 0 HZ3 LYS A 101 5.546 -4.532 -4.355 1.00 23.41 H new ATOM 1574 N PRO A 102 0.283 -3.226 -7.983 1.00 31.15 N ATOM 1575 CA PRO A 102 0.691 -2.436 -9.186 1.00 55.11 C ATOM 1576 C PRO A 102 0.233 -0.954 -9.136 1.00 11.44 C ATOM 1577 O PRO A 102 1.050 -0.039 -9.281 1.00 4.45 O ATOM 1578 CB PRO A 102 0.012 -3.188 -10.358 1.00 21.24 C ATOM 1579 CG PRO A 102 -0.119 -4.600 -9.881 1.00 2.22 C ATOM 1580 CD PRO A 102 -0.390 -4.503 -8.396 1.00 21.33 C ATOM 0 HA PRO A 102 1.776 -2.373 -9.272 1.00 55.11 H new ATOM 0 HB2 PRO A 102 -0.962 -2.758 -10.593 1.00 21.24 H new ATOM 0 HB3 PRO A 102 0.613 -3.131 -11.266 1.00 21.24 H new ATOM 0 HG2 PRO A 102 -0.931 -5.114 -10.395 1.00 2.22 H new ATOM 0 HG3 PRO A 102 0.791 -5.166 -10.077 1.00 2.22 H new ATOM 0 HD2 PRO A 102 -1.459 -4.476 -8.187 1.00 21.33 H new ATOM 0 HD3 PRO A 102 0.018 -5.360 -7.860 1.00 21.33 H new ATOM 1588 N LEU A 103 -1.082 -0.746 -8.905 1.00 32.10 N ATOM 1589 CA LEU A 103 -1.701 0.600 -8.873 1.00 60.34 C ATOM 1590 C LEU A 103 -1.154 1.412 -7.689 1.00 54.03 C ATOM 1591 O LEU A 103 -0.775 2.580 -7.846 1.00 13.12 O ATOM 1592 CB LEU A 103 -3.251 0.466 -8.800 1.00 61.41 C ATOM 1593 CG LEU A 103 -4.113 1.701 -9.260 1.00 43.14 C ATOM 1594 CD1 LEU A 103 -5.556 1.266 -9.536 1.00 0.01 C ATOM 1595 CD2 LEU A 103 -4.100 2.879 -8.249 1.00 15.20 C ATOM 0 H LEU A 103 -1.744 -1.504 -8.736 1.00 32.10 H new ATOM 0 HA LEU A 103 -1.447 1.135 -9.788 1.00 60.34 H new ATOM 0 HB2 LEU A 103 -3.543 -0.392 -9.406 1.00 61.41 H new ATOM 0 HB3 LEU A 103 -3.520 0.234 -7.769 1.00 61.41 H new ATOM 0 HG LEU A 103 -3.650 2.072 -10.175 1.00 43.14 H new ATOM 0 HD11 LEU A 103 -6.142 2.129 -9.853 1.00 0.01 H new ATOM 0 HD12 LEU A 103 -5.565 0.512 -10.323 1.00 0.01 H new ATOM 0 HD13 LEU A 103 -5.990 0.847 -8.628 1.00 0.01 H new ATOM 0 HD21 LEU A 103 -4.714 3.694 -8.632 1.00 15.20 H new ATOM 0 HD22 LEU A 103 -4.499 2.542 -7.292 1.00 15.20 H new ATOM 0 HD23 LEU A 103 -3.077 3.229 -8.112 1.00 15.20 H new ATOM 1607 N LEU A 104 -1.108 0.758 -6.518 1.00 73.05 N ATOM 1608 CA LEU A 104 -0.667 1.366 -5.253 1.00 44.41 C ATOM 1609 C LEU A 104 0.782 1.877 -5.348 1.00 64.51 C ATOM 1610 O LEU A 104 1.091 2.981 -4.886 1.00 64.10 O ATOM 1611 CB LEU A 104 -0.809 0.319 -4.121 1.00 34.24 C ATOM 1612 CG LEU A 104 -0.422 0.778 -2.689 1.00 4.31 C ATOM 1613 CD1 LEU A 104 -1.290 1.964 -2.210 1.00 4.11 C ATOM 1614 CD2 LEU A 104 -0.493 -0.408 -1.714 1.00 13.41 C ATOM 0 H LEU A 104 -1.380 -0.220 -6.422 1.00 73.05 H new ATOM 0 HA LEU A 104 -1.294 2.230 -5.036 1.00 44.41 H new ATOM 0 HB2 LEU A 104 -1.845 -0.020 -4.100 1.00 34.24 H new ATOM 0 HB3 LEU A 104 -0.196 -0.544 -4.378 1.00 34.24 H new ATOM 0 HG LEU A 104 0.606 1.138 -2.715 1.00 4.31 H new ATOM 0 HD11 LEU A 104 -0.987 2.254 -1.204 1.00 4.11 H new ATOM 0 HD12 LEU A 104 -1.158 2.808 -2.886 1.00 4.11 H new ATOM 0 HD13 LEU A 104 -2.339 1.667 -2.201 1.00 4.11 H new ATOM 0 HD21 LEU A 104 -0.219 -0.073 -0.713 1.00 13.41 H new ATOM 0 HD22 LEU A 104 -1.508 -0.806 -1.699 1.00 13.41 H new ATOM 0 HD23 LEU A 104 0.198 -1.187 -2.037 1.00 13.41 H new ATOM 1626 N ASP A 105 1.638 1.067 -5.998 1.00 62.41 N ATOM 1627 CA ASP A 105 3.060 1.375 -6.222 1.00 52.03 C ATOM 1628 C ASP A 105 3.201 2.664 -7.046 1.00 43.32 C ATOM 1629 O ASP A 105 3.900 3.600 -6.636 1.00 71.32 O ATOM 1630 CB ASP A 105 3.757 0.175 -6.931 1.00 60.34 C ATOM 1631 CG ASP A 105 5.262 0.407 -7.178 1.00 23.02 C ATOM 1632 OD1 ASP A 105 6.080 0.114 -6.274 1.00 13.33 O ATOM 1633 OD2 ASP A 105 5.639 0.893 -8.274 1.00 15.11 O ATOM 0 H ASP A 105 1.356 0.168 -6.387 1.00 62.41 H new ATOM 0 HA ASP A 105 3.549 1.536 -5.261 1.00 52.03 H new ATOM 0 HB2 ASP A 105 3.629 -0.722 -6.324 1.00 60.34 H new ATOM 0 HB3 ASP A 105 3.263 -0.012 -7.885 1.00 60.34 H new ATOM 1638 N VAL A 106 2.471 2.709 -8.176 1.00 11.33 N ATOM 1639 CA VAL A 106 2.493 3.840 -9.113 1.00 4.34 C ATOM 1640 C VAL A 106 2.020 5.143 -8.433 1.00 63.54 C ATOM 1641 O VAL A 106 2.724 6.153 -8.485 1.00 3.33 O ATOM 1642 CB VAL A 106 1.615 3.537 -10.391 1.00 2.54 C ATOM 1643 CG1 VAL A 106 1.484 4.772 -11.319 1.00 2.41 C ATOM 1644 CG2 VAL A 106 2.189 2.327 -11.168 1.00 34.13 C ATOM 0 H VAL A 106 1.847 1.955 -8.463 1.00 11.33 H new ATOM 0 HA VAL A 106 3.526 3.979 -9.430 1.00 4.34 H new ATOM 0 HB VAL A 106 0.612 3.290 -10.044 1.00 2.54 H new ATOM 0 HG11 VAL A 106 0.872 4.514 -12.183 1.00 2.41 H new ATOM 0 HG12 VAL A 106 1.014 5.590 -10.772 1.00 2.41 H new ATOM 0 HG13 VAL A 106 2.474 5.081 -11.655 1.00 2.41 H new ATOM 0 HG21 VAL A 106 1.572 2.132 -12.045 1.00 34.13 H new ATOM 0 HG22 VAL A 106 3.209 2.548 -11.483 1.00 34.13 H new ATOM 0 HG23 VAL A 106 2.191 1.448 -10.523 1.00 34.13 H new ATOM 1654 N THR A 107 0.853 5.086 -7.761 1.00 55.15 N ATOM 1655 CA THR A 107 0.184 6.286 -7.210 1.00 51.24 C ATOM 1656 C THR A 107 0.943 6.879 -5.999 1.00 31.24 C ATOM 1657 O THR A 107 1.007 8.108 -5.837 1.00 52.45 O ATOM 1658 CB THR A 107 -1.300 5.974 -6.828 1.00 70.32 C ATOM 1659 OG1 THR A 107 -1.955 5.353 -7.945 1.00 25.31 O ATOM 1660 CG2 THR A 107 -2.080 7.245 -6.444 1.00 41.24 C ATOM 0 H THR A 107 0.350 4.216 -7.585 1.00 55.15 H new ATOM 0 HA THR A 107 0.192 7.040 -7.997 1.00 51.24 H new ATOM 0 HB THR A 107 -1.285 5.311 -5.963 1.00 70.32 H new ATOM 0 HG1 THR A 107 -2.926 5.442 -7.846 1.00 25.31 H new ATOM 0 HG21 THR A 107 -3.105 6.979 -6.187 1.00 41.24 H new ATOM 0 HG22 THR A 107 -1.602 7.720 -5.587 1.00 41.24 H new ATOM 0 HG23 THR A 107 -2.085 7.937 -7.286 1.00 41.24 H new ATOM 1668 N CYS A 108 1.539 5.995 -5.171 1.00 62.24 N ATOM 1669 CA CYS A 108 2.391 6.412 -4.033 1.00 5.01 C ATOM 1670 C CYS A 108 3.658 7.128 -4.547 1.00 62.14 C ATOM 1671 O CYS A 108 4.161 8.058 -3.912 1.00 54.50 O ATOM 1672 CB CYS A 108 2.772 5.198 -3.158 1.00 52.35 C ATOM 1673 SG CYS A 108 1.362 4.382 -2.377 1.00 34.11 S ATOM 0 H CYS A 108 1.446 4.984 -5.269 1.00 62.24 H new ATOM 0 HA CYS A 108 1.823 7.108 -3.416 1.00 5.01 H new ATOM 0 HB2 CYS A 108 3.303 4.472 -3.774 1.00 52.35 H new ATOM 0 HB3 CYS A 108 3.464 5.525 -2.382 1.00 52.35 H new ATOM 0 HG CYS A 108 0.840 3.529 -3.207 1.00 34.11 H new ATOM 1679 N LYS A 109 4.175 6.665 -5.697 1.00 32.02 N ATOM 1680 CA LYS A 109 5.313 7.302 -6.382 1.00 34.35 C ATOM 1681 C LYS A 109 4.886 8.593 -7.118 1.00 14.44 C ATOM 1682 O LYS A 109 5.678 9.523 -7.214 1.00 21.12 O ATOM 1683 CB LYS A 109 6.004 6.279 -7.325 1.00 42.10 C ATOM 1684 CG LYS A 109 6.752 5.169 -6.549 1.00 5.14 C ATOM 1685 CD LYS A 109 7.272 4.018 -7.441 1.00 22.42 C ATOM 1686 CE LYS A 109 8.032 2.964 -6.617 1.00 52.42 C ATOM 1687 NZ LYS A 109 8.371 1.757 -7.416 1.00 50.33 N ATOM 0 H LYS A 109 3.817 5.840 -6.178 1.00 32.02 H new ATOM 0 HA LYS A 109 6.043 7.612 -5.634 1.00 34.35 H new ATOM 0 HB2 LYS A 109 5.255 5.823 -7.973 1.00 42.10 H new ATOM 0 HB3 LYS A 109 6.708 6.803 -7.971 1.00 42.10 H new ATOM 0 HG2 LYS A 109 7.595 5.614 -6.021 1.00 5.14 H new ATOM 0 HG3 LYS A 109 6.084 4.756 -5.793 1.00 5.14 H new ATOM 0 HD2 LYS A 109 6.433 3.546 -7.953 1.00 22.42 H new ATOM 0 HD3 LYS A 109 7.929 4.422 -8.211 1.00 22.42 H new ATOM 0 HE2 LYS A 109 8.948 3.405 -6.224 1.00 52.42 H new ATOM 0 HE3 LYS A 109 7.426 2.671 -5.760 1.00 52.42 H new ATOM 0 HZ1 LYS A 109 8.759 1.023 -6.789 1.00 50.33 H new ATOM 0 HZ2 LYS A 109 7.514 1.397 -7.881 1.00 50.33 H new ATOM 0 HZ3 LYS A 109 9.078 2.005 -8.137 1.00 50.33 H new ATOM 1701 N THR A 110 3.627 8.645 -7.611 1.00 32.35 N ATOM 1702 CA THR A 110 3.080 9.824 -8.328 1.00 73.24 C ATOM 1703 C THR A 110 3.016 11.049 -7.389 1.00 33.03 C ATOM 1704 O THR A 110 3.470 12.148 -7.750 1.00 11.23 O ATOM 1705 CB THR A 110 1.658 9.522 -8.930 1.00 71.11 C ATOM 1706 OG1 THR A 110 1.740 8.440 -9.875 1.00 5.34 O ATOM 1707 CG2 THR A 110 1.029 10.751 -9.627 1.00 31.32 C ATOM 0 H THR A 110 2.963 7.875 -7.524 1.00 32.35 H new ATOM 0 HA THR A 110 3.753 10.050 -9.155 1.00 73.24 H new ATOM 0 HB THR A 110 1.017 9.250 -8.091 1.00 71.11 H new ATOM 0 HG1 THR A 110 2.093 7.642 -9.429 1.00 5.34 H new ATOM 0 HG21 THR A 110 0.049 10.483 -10.023 1.00 31.32 H new ATOM 0 HG22 THR A 110 0.920 11.562 -8.907 1.00 31.32 H new ATOM 0 HG23 THR A 110 1.674 11.076 -10.444 1.00 31.32 H new ATOM 1715 N VAL A 111 2.479 10.834 -6.166 1.00 3.42 N ATOM 1716 CA VAL A 111 2.427 11.882 -5.128 1.00 22.33 C ATOM 1717 C VAL A 111 3.852 12.269 -4.671 1.00 63.53 C ATOM 1718 O VAL A 111 4.116 13.432 -4.342 1.00 20.10 O ATOM 1719 CB VAL A 111 1.523 11.477 -3.893 1.00 23.11 C ATOM 1720 CG1 VAL A 111 0.070 11.208 -4.335 1.00 0.45 C ATOM 1721 CG2 VAL A 111 2.089 10.270 -3.120 1.00 32.01 C ATOM 0 H VAL A 111 2.076 9.943 -5.877 1.00 3.42 H new ATOM 0 HA VAL A 111 1.956 12.754 -5.582 1.00 22.33 H new ATOM 0 HB VAL A 111 1.528 12.326 -3.209 1.00 23.11 H new ATOM 0 HG11 VAL A 111 -0.529 10.932 -3.467 1.00 0.45 H new ATOM 0 HG12 VAL A 111 -0.344 12.107 -4.790 1.00 0.45 H new ATOM 0 HG13 VAL A 111 0.055 10.394 -5.060 1.00 0.45 H new ATOM 0 HG21 VAL A 111 1.432 10.033 -2.283 1.00 32.01 H new ATOM 0 HG22 VAL A 111 2.153 9.409 -3.786 1.00 32.01 H new ATOM 0 HG23 VAL A 111 3.083 10.513 -2.744 1.00 32.01 H new ATOM 1731 N ALA A 112 4.766 11.274 -4.690 1.00 43.11 N ATOM 1732 CA ALA A 112 6.184 11.471 -4.356 1.00 45.34 C ATOM 1733 C ALA A 112 6.931 12.259 -5.452 1.00 13.24 C ATOM 1734 O ALA A 112 7.916 12.930 -5.161 1.00 45.44 O ATOM 1735 CB ALA A 112 6.854 10.116 -4.104 1.00 4.21 C ATOM 0 H ALA A 112 4.535 10.312 -4.938 1.00 43.11 H new ATOM 0 HA ALA A 112 6.235 12.068 -3.446 1.00 45.34 H new ATOM 0 HB1 ALA A 112 7.904 10.270 -3.857 1.00 4.21 H new ATOM 0 HB2 ALA A 112 6.356 9.613 -3.275 1.00 4.21 H new ATOM 0 HB3 ALA A 112 6.778 9.500 -5.000 1.00 4.21 H new ATOM 1741 N ASN A 113 6.451 12.176 -6.719 1.00 63.41 N ATOM 1742 CA ASN A 113 7.047 12.921 -7.860 1.00 22.34 C ATOM 1743 C ASN A 113 6.773 14.437 -7.760 1.00 24.42 C ATOM 1744 O ASN A 113 7.531 15.241 -8.312 1.00 11.34 O ATOM 1745 CB ASN A 113 6.571 12.376 -9.247 1.00 24.34 C ATOM 1746 CG ASN A 113 7.371 11.157 -9.744 1.00 24.03 C ATOM 1747 OD1 ASN A 113 8.473 11.304 -10.274 1.00 41.12 O ATOM 1748 ND2 ASN A 113 6.807 9.962 -9.654 1.00 21.34 N ATOM 0 H ASN A 113 5.651 11.599 -6.978 1.00 63.41 H new ATOM 0 HA ASN A 113 8.123 12.759 -7.793 1.00 22.34 H new ATOM 0 HB2 ASN A 113 5.518 12.104 -9.178 1.00 24.34 H new ATOM 0 HB3 ASN A 113 6.646 13.174 -9.986 1.00 24.34 H new ATOM 0 HD21 ASN A 113 7.286 9.143 -10.027 1.00 21.34 H new ATOM 0 HD22 ASN A 113 5.894 9.861 -9.211 1.00 21.34 H new ATOM 1755 N MET A 114 5.688 14.812 -7.064 1.00 21.33 N ATOM 1756 CA MET A 114 5.326 16.231 -6.848 1.00 25.13 C ATOM 1757 C MET A 114 6.294 16.902 -5.853 1.00 1.21 C ATOM 1758 O MET A 114 6.647 18.072 -5.995 1.00 65.03 O ATOM 1759 CB MET A 114 3.872 16.346 -6.333 1.00 53.32 C ATOM 1760 CG MET A 114 2.814 15.696 -7.236 1.00 50.11 C ATOM 1761 SD MET A 114 1.128 16.043 -6.686 1.00 33.01 S ATOM 1762 CE MET A 114 1.151 15.405 -5.010 1.00 51.24 C ATOM 0 H MET A 114 5.039 14.151 -6.637 1.00 21.33 H new ATOM 0 HA MET A 114 5.404 16.747 -7.805 1.00 25.13 H new ATOM 0 HB2 MET A 114 3.815 15.890 -5.345 1.00 53.32 H new ATOM 0 HB3 MET A 114 3.627 17.401 -6.212 1.00 53.32 H new ATOM 0 HG2 MET A 114 2.941 16.056 -8.257 1.00 50.11 H new ATOM 0 HG3 MET A 114 2.971 14.618 -7.257 1.00 50.11 H new ATOM 0 HE1 MET A 114 0.313 14.722 -4.869 1.00 51.24 H new ATOM 0 HE2 MET A 114 2.086 14.873 -4.836 1.00 51.24 H new ATOM 0 HE3 MET A 114 1.068 16.232 -4.305 1.00 51.24 H new ATOM 1772 N ILE A 115 6.712 16.131 -4.848 1.00 51.02 N ATOM 1773 CA ILE A 115 7.609 16.595 -3.764 1.00 33.23 C ATOM 1774 C ILE A 115 9.075 16.151 -4.011 1.00 31.11 C ATOM 1775 O ILE A 115 9.923 16.372 -3.154 1.00 22.03 O ATOM 1776 CB ILE A 115 7.108 16.095 -2.350 1.00 10.35 C ATOM 1777 CG1 ILE A 115 7.162 14.535 -2.255 1.00 5.23 C ATOM 1778 CG2 ILE A 115 5.674 16.628 -2.054 1.00 22.14 C ATOM 1779 CD1 ILE A 115 6.933 13.969 -0.867 1.00 12.23 C ATOM 0 H ILE A 115 6.439 15.153 -4.754 1.00 51.02 H new ATOM 0 HA ILE A 115 7.582 17.685 -3.768 1.00 33.23 H new ATOM 0 HB ILE A 115 7.779 16.495 -1.590 1.00 10.35 H new ATOM 0 HG12 ILE A 115 6.413 14.119 -2.929 1.00 5.23 H new ATOM 0 HG13 ILE A 115 8.135 14.198 -2.613 1.00 5.23 H new ATOM 0 HG21 ILE A 115 5.348 16.272 -1.076 1.00 22.14 H new ATOM 0 HG22 ILE A 115 5.683 17.718 -2.059 1.00 22.14 H new ATOM 0 HG23 ILE A 115 4.987 16.267 -2.819 1.00 22.14 H new ATOM 0 HD11 ILE A 115 6.990 12.881 -0.904 1.00 12.23 H new ATOM 0 HD12 ILE A 115 7.697 14.349 -0.188 1.00 12.23 H new ATOM 0 HD13 ILE A 115 5.948 14.269 -0.510 1.00 12.23 H new ATOM 1791 N ARG A 116 9.319 15.501 -5.179 1.00 72.13 N ATOM 1792 CA ARG A 116 10.577 14.782 -5.561 1.00 52.14 C ATOM 1793 C ARG A 116 11.887 15.621 -5.394 1.00 10.54 C ATOM 1794 O ARG A 116 12.508 16.018 -6.380 1.00 61.54 O ATOM 1795 CB ARG A 116 10.430 14.322 -7.050 1.00 5.23 C ATOM 1796 CG ARG A 116 11.420 13.238 -7.536 1.00 13.42 C ATOM 1797 CD ARG A 116 11.309 12.973 -9.053 1.00 32.13 C ATOM 1798 NE ARG A 116 12.215 11.897 -9.513 1.00 41.44 N ATOM 1799 CZ ARG A 116 13.472 12.066 -9.964 1.00 44.33 C ATOM 1800 NH1 ARG A 116 14.025 13.276 -10.027 1.00 10.42 N ATOM 1801 NH2 ARG A 116 14.172 11.010 -10.361 1.00 10.53 N ATOM 0 H ARG A 116 8.617 15.458 -5.917 1.00 72.13 H new ATOM 0 HA ARG A 116 10.689 13.942 -4.875 1.00 52.14 H new ATOM 0 HB2 ARG A 116 9.416 13.948 -7.193 1.00 5.23 H new ATOM 0 HB3 ARG A 116 10.540 15.197 -7.690 1.00 5.23 H new ATOM 0 HG2 ARG A 116 12.438 13.547 -7.298 1.00 13.42 H new ATOM 0 HG3 ARG A 116 11.233 12.311 -6.994 1.00 13.42 H new ATOM 0 HD2 ARG A 116 10.281 12.705 -9.297 1.00 32.13 H new ATOM 0 HD3 ARG A 116 11.537 13.891 -9.596 1.00 32.13 H new ATOM 0 HE ARG A 116 11.855 10.943 -9.486 1.00 41.44 H new ATOM 0 HH11 ARG A 116 13.495 14.095 -9.730 1.00 10.42 H new ATOM 0 HH12 ARG A 116 14.979 13.383 -10.372 1.00 10.42 H new ATOM 0 HH21 ARG A 116 13.757 10.079 -10.323 1.00 10.53 H new ATOM 0 HH22 ARG A 116 15.125 11.130 -10.704 1.00 10.53 H new ATOM 1815 N GLY A 117 12.292 15.865 -4.149 1.00 3.53 N ATOM 1816 CA GLY A 117 13.502 16.623 -3.789 1.00 12.00 C ATOM 1817 C GLY A 117 14.833 16.079 -4.368 1.00 54.01 C ATOM 1818 O GLY A 117 15.845 16.789 -4.287 1.00 75.23 O ATOM 1819 OXT GLY A 117 14.877 14.947 -4.909 1.00 37.66 O ATOM 0 H GLY A 117 11.776 15.533 -3.334 1.00 3.53 H new ATOM 0 HA2 GLY A 117 13.376 17.653 -4.123 1.00 12.00 H new ATOM 0 HA3 GLY A 117 13.583 16.648 -2.702 1.00 12.00 H new TER 1823 GLY A 117 ATOM 1824 N SER B 2 18.651 -13.942 16.698 1.00 12.01 N ATOM 1825 CA SER B 2 17.814 -14.062 15.488 1.00 40.10 C ATOM 1826 C SER B 2 17.588 -12.678 14.847 1.00 53.41 C ATOM 1827 O SER B 2 16.569 -12.440 14.190 1.00 45.54 O ATOM 1828 CB SER B 2 16.482 -14.745 15.869 1.00 54.04 C ATOM 1829 OG SER B 2 16.719 -16.012 16.469 1.00 24.21 O ATOM 0 HA SER B 2 18.320 -14.676 14.743 1.00 40.10 H new ATOM 0 HB2 SER B 2 15.926 -14.109 16.558 1.00 54.04 H new ATOM 0 HB3 SER B 2 15.864 -14.868 14.980 1.00 54.04 H new ATOM 0 HG SER B 2 17.517 -15.961 17.036 1.00 24.21 H new ATOM 1837 N LEU B 3 18.575 -11.776 15.012 1.00 14.45 N ATOM 1838 CA LEU B 3 18.485 -10.396 14.510 1.00 63.22 C ATOM 1839 C LEU B 3 18.887 -10.333 13.023 1.00 63.44 C ATOM 1840 O LEU B 3 20.025 -10.659 12.668 1.00 13.42 O ATOM 1841 CB LEU B 3 19.413 -9.471 15.350 1.00 53.31 C ATOM 1842 CG LEU B 3 19.139 -9.442 16.888 1.00 52.00 C ATOM 1843 CD1 LEU B 3 20.246 -8.675 17.636 1.00 74.52 C ATOM 1844 CD2 LEU B 3 17.745 -8.854 17.203 1.00 5.23 C ATOM 0 H LEU B 3 19.450 -11.984 15.494 1.00 14.45 H new ATOM 0 HA LEU B 3 17.454 -10.056 14.604 1.00 63.22 H new ATOM 0 HB2 LEU B 3 20.445 -9.783 15.191 1.00 53.31 H new ATOM 0 HB3 LEU B 3 19.324 -8.455 14.966 1.00 53.31 H new ATOM 0 HG LEU B 3 19.149 -10.473 17.242 1.00 52.00 H new ATOM 0 HD11 LEU B 3 20.028 -8.672 18.704 1.00 74.52 H new ATOM 0 HD12 LEU B 3 21.206 -9.161 17.463 1.00 74.52 H new ATOM 0 HD13 LEU B 3 20.288 -7.649 17.271 1.00 74.52 H new ATOM 0 HD21 LEU B 3 17.588 -8.849 18.282 1.00 5.23 H new ATOM 0 HD22 LEU B 3 17.686 -7.834 16.823 1.00 5.23 H new ATOM 0 HD23 LEU B 3 16.977 -9.464 16.727 1.00 5.23 H new ATOM 1856 N VAL B 4 17.940 -9.933 12.159 1.00 11.42 N ATOM 1857 CA VAL B 4 18.229 -9.577 10.760 1.00 31.14 C ATOM 1858 C VAL B 4 18.666 -8.102 10.705 1.00 21.50 C ATOM 1859 O VAL B 4 18.032 -7.225 11.305 1.00 44.41 O ATOM 1860 CB VAL B 4 17.002 -9.843 9.802 1.00 20.44 C ATOM 1861 CG1 VAL B 4 16.709 -11.357 9.703 1.00 60.10 C ATOM 1862 CG2 VAL B 4 15.744 -9.057 10.241 1.00 13.04 C ATOM 0 H VAL B 4 16.955 -9.847 12.410 1.00 11.42 H new ATOM 0 HA VAL B 4 19.034 -10.217 10.400 1.00 31.14 H new ATOM 0 HB VAL B 4 17.273 -9.479 8.811 1.00 20.44 H new ATOM 0 HG11 VAL B 4 15.860 -11.521 9.039 1.00 60.10 H new ATOM 0 HG12 VAL B 4 17.584 -11.872 9.307 1.00 60.10 H new ATOM 0 HG13 VAL B 4 16.475 -11.748 10.693 1.00 60.10 H new ATOM 0 HG21 VAL B 4 14.924 -9.269 9.555 1.00 13.04 H new ATOM 0 HG22 VAL B 4 15.460 -9.358 11.249 1.00 13.04 H new ATOM 0 HG23 VAL B 4 15.960 -7.989 10.229 1.00 13.04 H new ATOM 1872 N LYS B 5 19.774 -7.850 10.016 1.00 5.22 N ATOM 1873 CA LYS B 5 20.421 -6.534 9.984 1.00 62.20 C ATOM 1874 C LYS B 5 20.096 -5.847 8.652 1.00 11.15 C ATOM 1875 O LYS B 5 20.281 -6.435 7.585 1.00 42.21 O ATOM 1876 CB LYS B 5 21.942 -6.726 10.206 1.00 3.22 C ATOM 1877 CG LYS B 5 22.269 -7.543 11.486 1.00 3.14 C ATOM 1878 CD LYS B 5 23.776 -7.602 11.832 1.00 32.02 C ATOM 1879 CE LYS B 5 24.037 -8.444 13.090 1.00 22.41 C ATOM 1880 NZ LYS B 5 25.454 -8.373 13.536 1.00 53.44 N ATOM 0 H LYS B 5 20.255 -8.556 9.458 1.00 5.22 H new ATOM 0 HA LYS B 5 20.050 -5.887 10.778 1.00 62.20 H new ATOM 0 HB2 LYS B 5 22.369 -7.231 9.340 1.00 3.22 H new ATOM 0 HB3 LYS B 5 22.420 -5.749 10.273 1.00 3.22 H new ATOM 0 HG2 LYS B 5 21.731 -7.108 12.328 1.00 3.14 H new ATOM 0 HG3 LYS B 5 21.896 -8.560 11.360 1.00 3.14 H new ATOM 0 HD2 LYS B 5 24.326 -8.024 10.991 1.00 32.02 H new ATOM 0 HD3 LYS B 5 24.154 -6.591 11.986 1.00 32.02 H new ATOM 0 HE2 LYS B 5 23.388 -8.100 13.895 1.00 22.41 H new ATOM 0 HE3 LYS B 5 23.774 -9.483 12.890 1.00 22.41 H new ATOM 0 HZ1 LYS B 5 25.580 -8.957 14.387 1.00 53.44 H new ATOM 0 HZ2 LYS B 5 26.074 -8.726 12.779 1.00 53.44 H new ATOM 0 HZ3 LYS B 5 25.700 -7.386 13.754 1.00 53.44 H new ATOM 1894 N LEU B 6 19.553 -4.626 8.732 1.00 31.42 N ATOM 1895 CA LEU B 6 19.026 -3.894 7.571 1.00 71.25 C ATOM 1896 C LEU B 6 19.790 -2.571 7.402 1.00 74.42 C ATOM 1897 O LEU B 6 19.492 -1.595 8.098 1.00 52.30 O ATOM 1898 CB LEU B 6 17.496 -3.619 7.769 1.00 3.03 C ATOM 1899 CG LEU B 6 16.597 -4.855 8.124 1.00 71.44 C ATOM 1900 CD1 LEU B 6 15.146 -4.423 8.428 1.00 20.31 C ATOM 1901 CD2 LEU B 6 16.635 -5.932 7.013 1.00 34.44 C ATOM 0 H LEU B 6 19.466 -4.114 9.610 1.00 31.42 H new ATOM 0 HA LEU B 6 19.161 -4.495 6.672 1.00 71.25 H new ATOM 0 HB2 LEU B 6 17.383 -2.878 8.560 1.00 3.03 H new ATOM 0 HB3 LEU B 6 17.110 -3.169 6.854 1.00 3.03 H new ATOM 0 HG LEU B 6 17.011 -5.304 9.027 1.00 71.44 H new ATOM 0 HD11 LEU B 6 14.548 -5.302 8.670 1.00 20.31 H new ATOM 0 HD12 LEU B 6 15.141 -3.736 9.274 1.00 20.31 H new ATOM 0 HD13 LEU B 6 14.724 -3.926 7.554 1.00 20.31 H new ATOM 0 HD21 LEU B 6 16.000 -6.771 7.298 1.00 34.44 H new ATOM 0 HD22 LEU B 6 16.273 -5.503 6.078 1.00 34.44 H new ATOM 0 HD23 LEU B 6 17.659 -6.281 6.880 1.00 34.44 H new ATOM 1913 N GLU B 7 20.803 -2.549 6.512 1.00 34.30 N ATOM 1914 CA GLU B 7 21.525 -1.304 6.185 1.00 45.31 C ATOM 1915 C GLU B 7 20.652 -0.434 5.284 1.00 42.43 C ATOM 1916 O GLU B 7 20.423 -0.767 4.121 1.00 62.23 O ATOM 1917 CB GLU B 7 22.902 -1.553 5.509 1.00 62.41 C ATOM 1918 CG GLU B 7 23.954 -2.224 6.415 1.00 35.31 C ATOM 1919 CD GLU B 7 23.685 -3.715 6.655 1.00 2.31 C ATOM 1920 OE1 GLU B 7 23.144 -4.090 7.728 1.00 42.44 O ATOM 1921 OE2 GLU B 7 24.010 -4.514 5.755 1.00 25.33 O ATOM 0 H GLU B 7 21.137 -3.372 6.011 1.00 34.30 H new ATOM 0 HA GLU B 7 21.730 -0.795 7.127 1.00 45.31 H new ATOM 0 HB2 GLU B 7 22.751 -2.176 4.628 1.00 62.41 H new ATOM 0 HB3 GLU B 7 23.298 -0.599 5.161 1.00 62.41 H new ATOM 0 HG2 GLU B 7 24.939 -2.108 5.964 1.00 35.31 H new ATOM 0 HG3 GLU B 7 23.980 -1.707 7.374 1.00 35.31 H new ATOM 1928 N SER B 8 20.167 0.670 5.846 1.00 74.33 N ATOM 1929 CA SER B 8 19.376 1.680 5.126 1.00 25.30 C ATOM 1930 C SER B 8 20.200 2.381 4.009 1.00 65.22 C ATOM 1931 O SER B 8 21.344 2.001 3.721 1.00 73.23 O ATOM 1932 CB SER B 8 18.862 2.706 6.154 1.00 34.00 C ATOM 1933 OG SER B 8 19.933 3.222 6.934 1.00 5.41 O ATOM 0 H SER B 8 20.311 0.897 6.830 1.00 74.33 H new ATOM 0 HA SER B 8 18.540 1.190 4.627 1.00 25.30 H new ATOM 0 HB2 SER B 8 18.356 3.522 5.638 1.00 34.00 H new ATOM 0 HB3 SER B 8 18.125 2.236 6.806 1.00 34.00 H new ATOM 0 HG SER B 8 20.599 3.633 6.344 1.00 5.41 H new ATOM 1939 N SER B 9 19.584 3.392 3.365 1.00 11.12 N ATOM 1940 CA SER B 9 20.257 4.278 2.392 1.00 53.42 C ATOM 1941 C SER B 9 21.467 4.994 3.038 1.00 75.51 C ATOM 1942 O SER B 9 22.454 5.305 2.362 1.00 22.11 O ATOM 1943 CB SER B 9 19.242 5.308 1.833 1.00 70.24 C ATOM 1944 OG SER B 9 19.818 6.126 0.822 1.00 63.01 O ATOM 0 H SER B 9 18.600 3.619 3.506 1.00 11.12 H new ATOM 0 HA SER B 9 20.634 3.671 1.569 1.00 53.42 H new ATOM 0 HB2 SER B 9 18.378 4.782 1.426 1.00 70.24 H new ATOM 0 HB3 SER B 9 18.879 5.937 2.646 1.00 70.24 H new ATOM 0 HG SER B 9 19.148 6.761 0.494 1.00 63.01 H new ATOM 1950 N ASP B 10 21.370 5.235 4.362 1.00 63.41 N ATOM 1951 CA ASP B 10 22.434 5.862 5.174 1.00 75.00 C ATOM 1952 C ASP B 10 23.411 4.812 5.757 1.00 54.54 C ATOM 1953 O ASP B 10 24.231 5.148 6.623 1.00 41.12 O ATOM 1954 CB ASP B 10 21.786 6.670 6.323 1.00 1.12 C ATOM 1955 CG ASP B 10 20.905 7.822 5.830 1.00 11.33 C ATOM 1956 OD1 ASP B 10 21.346 8.991 5.872 1.00 5.21 O ATOM 1957 OD2 ASP B 10 19.759 7.562 5.405 1.00 63.04 O ATOM 0 H ASP B 10 20.540 4.997 4.904 1.00 63.41 H new ATOM 0 HA ASP B 10 23.011 6.522 4.526 1.00 75.00 H new ATOM 0 HB2 ASP B 10 21.185 5.999 6.936 1.00 1.12 H new ATOM 0 HB3 ASP B 10 22.571 7.071 6.964 1.00 1.12 H new ATOM 1962 N GLU B 11 23.291 3.541 5.297 1.00 23.35 N ATOM 1963 CA GLU B 11 24.193 2.417 5.674 1.00 23.20 C ATOM 1964 C GLU B 11 24.138 2.081 7.183 1.00 64.15 C ATOM 1965 O GLU B 11 25.036 1.403 7.704 1.00 44.21 O ATOM 1966 CB GLU B 11 25.656 2.713 5.210 1.00 23.11 C ATOM 1967 CG GLU B 11 25.822 2.838 3.680 1.00 20.22 C ATOM 1968 CD GLU B 11 27.219 3.316 3.248 1.00 14.42 C ATOM 1969 OE1 GLU B 11 27.359 4.493 2.835 1.00 52.14 O ATOM 1970 OE2 GLU B 11 28.183 2.521 3.320 1.00 55.01 O ATOM 0 H GLU B 11 22.557 3.262 4.646 1.00 23.35 H new ATOM 0 HA GLU B 11 23.833 1.529 5.154 1.00 23.20 H new ATOM 0 HB2 GLU B 11 25.993 3.638 5.677 1.00 23.11 H new ATOM 0 HB3 GLU B 11 26.308 1.917 5.571 1.00 23.11 H new ATOM 0 HG2 GLU B 11 25.621 1.870 3.221 1.00 20.22 H new ATOM 0 HG3 GLU B 11 25.075 3.534 3.298 1.00 20.22 H new ATOM 1977 N LYS B 12 23.067 2.533 7.867 1.00 11.15 N ATOM 1978 CA LYS B 12 22.867 2.282 9.304 1.00 74.40 C ATOM 1979 C LYS B 12 22.362 0.846 9.488 1.00 33.02 C ATOM 1980 O LYS B 12 21.319 0.487 8.934 1.00 34.41 O ATOM 1981 CB LYS B 12 21.853 3.304 9.897 1.00 72.55 C ATOM 1982 CG LYS B 12 22.293 4.783 9.815 1.00 21.14 C ATOM 1983 CD LYS B 12 23.518 5.108 10.701 1.00 32.03 C ATOM 1984 CE LYS B 12 23.960 6.579 10.574 1.00 61.50 C ATOM 1985 NZ LYS B 12 25.090 6.901 11.487 1.00 62.40 N ATOM 0 H LYS B 12 22.321 3.080 7.438 1.00 11.15 H new ATOM 0 HA LYS B 12 23.811 2.405 9.835 1.00 74.40 H new ATOM 0 HB2 LYS B 12 20.902 3.194 9.375 1.00 72.55 H new ATOM 0 HB3 LYS B 12 21.674 3.051 10.942 1.00 72.55 H new ATOM 0 HG2 LYS B 12 22.528 5.028 8.779 1.00 21.14 H new ATOM 0 HG3 LYS B 12 21.460 5.420 10.112 1.00 21.14 H new ATOM 0 HD2 LYS B 12 23.278 4.892 11.742 1.00 32.03 H new ATOM 0 HD3 LYS B 12 24.347 4.457 10.423 1.00 32.03 H new ATOM 0 HE2 LYS B 12 24.256 6.781 9.545 1.00 61.50 H new ATOM 0 HE3 LYS B 12 23.116 7.232 10.797 1.00 61.50 H new ATOM 0 HZ1 LYS B 12 25.357 7.899 11.371 1.00 62.40 H new ATOM 0 HZ2 LYS B 12 24.800 6.733 12.471 1.00 62.40 H new ATOM 0 HZ3 LYS B 12 25.904 6.296 11.258 1.00 62.40 H new ATOM 1999 N VAL B 13 23.120 0.049 10.258 1.00 2.43 N ATOM 2000 CA VAL B 13 22.843 -1.376 10.484 1.00 70.33 C ATOM 2001 C VAL B 13 21.706 -1.534 11.517 1.00 12.33 C ATOM 2002 O VAL B 13 21.935 -1.460 12.736 1.00 24.52 O ATOM 2003 CB VAL B 13 24.146 -2.134 10.966 1.00 51.13 C ATOM 2004 CG1 VAL B 13 23.892 -3.647 11.158 1.00 0.44 C ATOM 2005 CG2 VAL B 13 25.333 -1.881 9.998 1.00 40.41 C ATOM 0 H VAL B 13 23.952 0.381 10.746 1.00 2.43 H new ATOM 0 HA VAL B 13 22.526 -1.823 9.542 1.00 70.33 H new ATOM 0 HB VAL B 13 24.416 -1.726 11.940 1.00 51.13 H new ATOM 0 HG11 VAL B 13 24.811 -4.131 11.489 1.00 0.44 H new ATOM 0 HG12 VAL B 13 23.114 -3.793 11.908 1.00 0.44 H new ATOM 0 HG13 VAL B 13 23.572 -4.085 10.213 1.00 0.44 H new ATOM 0 HG21 VAL B 13 26.214 -2.414 10.355 1.00 40.41 H new ATOM 0 HG22 VAL B 13 25.072 -2.237 9.002 1.00 40.41 H new ATOM 0 HG23 VAL B 13 25.548 -0.813 9.957 1.00 40.41 H new ATOM 2015 N PHE B 14 20.475 -1.694 11.014 1.00 41.22 N ATOM 2016 CA PHE B 14 19.279 -1.880 11.846 1.00 14.44 C ATOM 2017 C PHE B 14 19.101 -3.360 12.208 1.00 61.24 C ATOM 2018 O PHE B 14 18.473 -4.131 11.475 1.00 73.00 O ATOM 2019 CB PHE B 14 18.028 -1.314 11.134 1.00 4.31 C ATOM 2020 CG PHE B 14 17.994 0.211 11.101 1.00 40.11 C ATOM 2021 CD1 PHE B 14 18.285 0.928 9.942 1.00 24.30 C ATOM 2022 CD2 PHE B 14 17.682 0.926 12.259 1.00 11.33 C ATOM 2023 CE1 PHE B 14 18.264 2.306 9.942 1.00 11.32 C ATOM 2024 CE2 PHE B 14 17.662 2.304 12.256 1.00 33.23 C ATOM 2025 CZ PHE B 14 17.952 2.993 11.097 1.00 33.54 C ATOM 0 H PHE B 14 20.280 -1.698 10.013 1.00 41.22 H new ATOM 0 HA PHE B 14 19.409 -1.325 12.775 1.00 14.44 H new ATOM 0 HB2 PHE B 14 17.996 -1.694 10.113 1.00 4.31 H new ATOM 0 HB3 PHE B 14 17.134 -1.680 11.639 1.00 4.31 H new ATOM 0 HD1 PHE B 14 18.530 0.398 9.034 1.00 24.30 H new ATOM 0 HD2 PHE B 14 17.453 0.392 13.169 1.00 11.33 H new ATOM 0 HE1 PHE B 14 18.492 2.849 9.037 1.00 11.32 H new ATOM 0 HE2 PHE B 14 17.420 2.843 13.160 1.00 33.23 H new ATOM 0 HZ PHE B 14 17.935 4.073 11.094 1.00 33.54 H new ATOM 2035 N GLU B 15 19.714 -3.735 13.334 1.00 21.40 N ATOM 2036 CA GLU B 15 19.635 -5.085 13.900 1.00 20.31 C ATOM 2037 C GLU B 15 18.289 -5.248 14.625 1.00 55.20 C ATOM 2038 O GLU B 15 18.110 -4.744 15.742 1.00 34.34 O ATOM 2039 CB GLU B 15 20.815 -5.297 14.882 1.00 55.23 C ATOM 2040 CG GLU B 15 22.194 -4.957 14.288 1.00 23.32 C ATOM 2041 CD GLU B 15 23.335 -5.069 15.305 1.00 1.14 C ATOM 2042 OE1 GLU B 15 23.547 -4.113 16.079 1.00 55.44 O ATOM 2043 OE2 GLU B 15 24.025 -6.106 15.335 1.00 55.01 O ATOM 0 H GLU B 15 20.288 -3.099 13.887 1.00 21.40 H new ATOM 0 HA GLU B 15 19.701 -5.831 13.108 1.00 20.31 H new ATOM 0 HB2 GLU B 15 20.651 -4.684 15.768 1.00 55.23 H new ATOM 0 HB3 GLU B 15 20.819 -6.336 15.210 1.00 55.23 H new ATOM 0 HG2 GLU B 15 22.396 -5.625 13.450 1.00 23.32 H new ATOM 0 HG3 GLU B 15 22.170 -3.943 13.889 1.00 23.32 H new ATOM 2050 N ILE B 16 17.337 -5.900 13.960 1.00 22.15 N ATOM 2051 CA ILE B 16 15.981 -6.113 14.489 1.00 14.21 C ATOM 2052 C ILE B 16 15.620 -7.600 14.353 1.00 32.04 C ATOM 2053 O ILE B 16 16.146 -8.282 13.474 1.00 65.13 O ATOM 2054 CB ILE B 16 14.941 -5.193 13.741 1.00 62.34 C ATOM 2055 CG1 ILE B 16 13.537 -5.288 14.412 1.00 1.34 C ATOM 2056 CG2 ILE B 16 14.873 -5.521 12.222 1.00 34.35 C ATOM 2057 CD1 ILE B 16 12.507 -4.316 13.886 1.00 53.10 C ATOM 0 H ILE B 16 17.481 -6.300 13.033 1.00 22.15 H new ATOM 0 HA ILE B 16 15.950 -5.839 15.543 1.00 14.21 H new ATOM 0 HB ILE B 16 15.284 -4.162 13.828 1.00 62.34 H new ATOM 0 HG12 ILE B 16 13.157 -6.301 14.282 1.00 1.34 H new ATOM 0 HG13 ILE B 16 13.652 -5.126 15.484 1.00 1.34 H new ATOM 0 HG21 ILE B 16 14.146 -4.867 11.741 1.00 34.35 H new ATOM 0 HG22 ILE B 16 15.854 -5.367 11.772 1.00 34.35 H new ATOM 0 HG23 ILE B 16 14.572 -6.560 12.087 1.00 34.35 H new ATOM 0 HD11 ILE B 16 11.566 -4.461 14.416 1.00 53.10 H new ATOM 0 HD12 ILE B 16 12.857 -3.295 14.041 1.00 53.10 H new ATOM 0 HD13 ILE B 16 12.354 -4.489 12.821 1.00 53.10 H new ATOM 2069 N GLU B 17 14.747 -8.100 15.250 1.00 34.22 N ATOM 2070 CA GLU B 17 14.336 -9.514 15.272 1.00 2.44 C ATOM 2071 C GLU B 17 13.671 -9.919 13.941 1.00 10.42 C ATOM 2072 O GLU B 17 12.855 -9.165 13.389 1.00 23.14 O ATOM 2073 CB GLU B 17 13.381 -9.768 16.469 1.00 24.23 C ATOM 2074 CG GLU B 17 13.986 -9.401 17.851 1.00 12.14 C ATOM 2075 CD GLU B 17 13.023 -9.542 19.044 1.00 12.25 C ATOM 2076 OE1 GLU B 17 12.062 -10.350 18.975 1.00 63.43 O ATOM 2077 OE2 GLU B 17 13.245 -8.858 20.074 1.00 40.31 O ATOM 0 H GLU B 17 14.309 -7.535 15.977 1.00 34.22 H new ATOM 0 HA GLU B 17 15.225 -10.132 15.396 1.00 2.44 H new ATOM 0 HB2 GLU B 17 12.468 -9.192 16.320 1.00 24.23 H new ATOM 0 HB3 GLU B 17 13.097 -10.820 16.477 1.00 24.23 H new ATOM 0 HG2 GLU B 17 14.855 -10.034 18.029 1.00 12.14 H new ATOM 0 HG3 GLU B 17 14.343 -8.372 17.812 1.00 12.14 H new ATOM 2084 N LYS B 18 14.052 -11.110 13.452 1.00 71.44 N ATOM 2085 CA LYS B 18 13.572 -11.679 12.182 1.00 3.34 C ATOM 2086 C LYS B 18 12.040 -11.783 12.154 1.00 24.43 C ATOM 2087 O LYS B 18 11.423 -11.494 11.133 1.00 40.41 O ATOM 2088 CB LYS B 18 14.186 -13.082 11.972 1.00 25.33 C ATOM 2089 CG LYS B 18 13.787 -13.775 10.639 1.00 34.34 C ATOM 2090 CD LYS B 18 14.139 -15.280 10.639 1.00 14.13 C ATOM 2091 CE LYS B 18 13.370 -16.062 11.727 1.00 51.30 C ATOM 2092 NZ LYS B 18 13.862 -17.458 11.865 1.00 52.04 N ATOM 0 H LYS B 18 14.714 -11.716 13.937 1.00 71.44 H new ATOM 0 HA LYS B 18 13.883 -11.011 11.378 1.00 3.34 H new ATOM 0 HB2 LYS B 18 15.272 -12.997 12.010 1.00 25.33 H new ATOM 0 HB3 LYS B 18 13.887 -13.722 12.802 1.00 25.33 H new ATOM 0 HG2 LYS B 18 12.716 -13.653 10.474 1.00 34.34 H new ATOM 0 HG3 LYS B 18 14.295 -13.284 9.809 1.00 34.34 H new ATOM 0 HD2 LYS B 18 13.912 -15.704 9.661 1.00 14.13 H new ATOM 0 HD3 LYS B 18 15.211 -15.400 10.797 1.00 14.13 H new ATOM 0 HE2 LYS B 18 13.470 -15.547 12.682 1.00 51.30 H new ATOM 0 HE3 LYS B 18 12.308 -16.075 11.481 1.00 51.30 H new ATOM 0 HZ1 LYS B 18 13.319 -17.946 12.605 1.00 52.04 H new ATOM 0 HZ2 LYS B 18 13.743 -17.959 10.961 1.00 52.04 H new ATOM 0 HZ3 LYS B 18 14.869 -17.447 12.125 1.00 52.04 H new ATOM 2106 N GLU B 19 11.459 -12.175 13.312 1.00 14.31 N ATOM 2107 CA GLU B 19 9.999 -12.335 13.506 1.00 51.53 C ATOM 2108 C GLU B 19 9.233 -11.066 13.081 1.00 60.03 C ATOM 2109 O GLU B 19 8.148 -11.132 12.491 1.00 31.33 O ATOM 2110 CB GLU B 19 9.694 -12.628 15.002 1.00 61.42 C ATOM 2111 CG GLU B 19 10.439 -13.833 15.602 1.00 64.13 C ATOM 2112 CD GLU B 19 10.078 -14.074 17.079 1.00 42.43 C ATOM 2113 OE1 GLU B 19 10.644 -13.382 17.954 1.00 63.43 O ATOM 2114 OE2 GLU B 19 9.217 -14.936 17.365 1.00 32.40 O ATOM 0 H GLU B 19 11.999 -12.392 14.150 1.00 14.31 H new ATOM 0 HA GLU B 19 9.671 -13.167 12.883 1.00 51.53 H new ATOM 0 HB2 GLU B 19 9.941 -11.742 15.586 1.00 61.42 H new ATOM 0 HB3 GLU B 19 8.622 -12.793 15.111 1.00 61.42 H new ATOM 0 HG2 GLU B 19 10.204 -14.726 15.023 1.00 64.13 H new ATOM 0 HG3 GLU B 19 11.513 -13.671 15.516 1.00 64.13 H new ATOM 2121 N ILE B 20 9.840 -9.919 13.400 1.00 24.13 N ATOM 2122 CA ILE B 20 9.281 -8.590 13.143 1.00 53.42 C ATOM 2123 C ILE B 20 9.358 -8.266 11.631 1.00 71.30 C ATOM 2124 O ILE B 20 8.400 -7.756 11.037 1.00 10.22 O ATOM 2125 CB ILE B 20 10.067 -7.521 13.990 1.00 44.43 C ATOM 2126 CG1 ILE B 20 10.123 -7.948 15.492 1.00 62.40 C ATOM 2127 CG2 ILE B 20 9.448 -6.126 13.831 1.00 61.13 C ATOM 2128 CD1 ILE B 20 10.833 -6.980 16.424 1.00 52.11 C ATOM 0 H ILE B 20 10.753 -9.889 13.854 1.00 24.13 H new ATOM 0 HA ILE B 20 8.232 -8.568 13.439 1.00 53.42 H new ATOM 0 HB ILE B 20 11.089 -7.470 13.613 1.00 44.43 H new ATOM 0 HG12 ILE B 20 9.103 -8.087 15.850 1.00 62.40 H new ATOM 0 HG13 ILE B 20 10.618 -8.917 15.558 1.00 62.40 H new ATOM 0 HG21 ILE B 20 10.011 -5.408 14.427 1.00 61.13 H new ATOM 0 HG22 ILE B 20 9.480 -5.831 12.782 1.00 61.13 H new ATOM 0 HG23 ILE B 20 8.413 -6.147 14.171 1.00 61.13 H new ATOM 0 HD11 ILE B 20 10.814 -7.373 17.440 1.00 52.11 H new ATOM 0 HD12 ILE B 20 11.867 -6.857 16.102 1.00 52.11 H new ATOM 0 HD13 ILE B 20 10.328 -6.014 16.399 1.00 52.11 H new ATOM 2140 N ALA B 21 10.508 -8.614 11.025 1.00 73.43 N ATOM 2141 CA ALA B 21 10.767 -8.419 9.581 1.00 50.44 C ATOM 2142 C ALA B 21 10.039 -9.465 8.699 1.00 71.50 C ATOM 2143 O ALA B 21 10.011 -9.324 7.473 1.00 45.51 O ATOM 2144 CB ALA B 21 12.280 -8.451 9.327 1.00 40.21 C ATOM 0 H ALA B 21 11.289 -9.041 11.523 1.00 73.43 H new ATOM 0 HA ALA B 21 10.366 -7.446 9.298 1.00 50.44 H new ATOM 0 HB1 ALA B 21 12.474 -8.308 8.264 1.00 40.21 H new ATOM 0 HB2 ALA B 21 12.761 -7.654 9.894 1.00 40.21 H new ATOM 0 HB3 ALA B 21 12.682 -9.414 9.642 1.00 40.21 H new ATOM 2150 N CYS B 22 9.473 -10.518 9.332 1.00 72.12 N ATOM 2151 CA CYS B 22 8.657 -11.538 8.634 1.00 1.12 C ATOM 2152 C CYS B 22 7.271 -10.982 8.242 1.00 20.51 C ATOM 2153 O CYS B 22 6.639 -11.481 7.310 1.00 74.12 O ATOM 2154 CB CYS B 22 8.501 -12.805 9.505 1.00 42.34 C ATOM 2155 SG CYS B 22 10.049 -13.684 9.835 1.00 64.11 S ATOM 0 H CYS B 22 9.568 -10.684 10.334 1.00 72.12 H new ATOM 0 HA CYS B 22 9.182 -11.807 7.718 1.00 1.12 H new ATOM 0 HB2 CYS B 22 8.048 -12.524 10.456 1.00 42.34 H new ATOM 0 HB3 CYS B 22 7.809 -13.487 9.011 1.00 42.34 H new ATOM 0 HG CYS B 22 10.967 -12.831 10.181 1.00 64.11 H new ATOM 2161 N MET B 23 6.796 -9.960 8.978 1.00 12.22 N ATOM 2162 CA MET B 23 5.525 -9.265 8.657 1.00 51.43 C ATOM 2163 C MET B 23 5.688 -8.429 7.377 1.00 40.24 C ATOM 2164 O MET B 23 4.739 -8.250 6.600 1.00 72.45 O ATOM 2165 CB MET B 23 5.086 -8.365 9.828 1.00 62.24 C ATOM 2166 CG MET B 23 4.973 -9.072 11.180 1.00 52.31 C ATOM 2167 SD MET B 23 4.322 -7.981 12.453 1.00 0.23 S ATOM 2168 CE MET B 23 5.505 -6.637 12.431 1.00 60.45 C ATOM 0 H MET B 23 7.271 -9.593 9.802 1.00 12.22 H new ATOM 0 HA MET B 23 4.753 -10.017 8.493 1.00 51.43 H new ATOM 0 HB2 MET B 23 5.797 -7.545 9.922 1.00 62.24 H new ATOM 0 HB3 MET B 23 4.120 -7.923 9.584 1.00 62.24 H new ATOM 0 HG2 MET B 23 4.325 -9.943 11.082 1.00 52.31 H new ATOM 0 HG3 MET B 23 5.954 -9.438 11.482 1.00 52.31 H new ATOM 0 HE1 MET B 23 5.283 -5.944 13.242 1.00 60.45 H new ATOM 0 HE2 MET B 23 6.511 -7.036 12.559 1.00 60.45 H new ATOM 0 HE3 MET B 23 5.442 -6.112 11.478 1.00 60.45 H new ATOM 2178 N SER B 24 6.912 -7.903 7.201 1.00 31.24 N ATOM 2179 CA SER B 24 7.345 -7.288 5.951 1.00 32.32 C ATOM 2180 C SER B 24 7.479 -8.394 4.896 1.00 0.22 C ATOM 2181 O SER B 24 8.391 -9.223 4.985 1.00 30.31 O ATOM 2182 CB SER B 24 8.690 -6.551 6.147 1.00 1.23 C ATOM 2183 OG SER B 24 9.170 -6.021 4.924 1.00 14.05 O ATOM 0 H SER B 24 7.626 -7.896 7.929 1.00 31.24 H new ATOM 0 HA SER B 24 6.613 -6.550 5.623 1.00 32.32 H new ATOM 0 HB2 SER B 24 8.564 -5.745 6.870 1.00 1.23 H new ATOM 0 HB3 SER B 24 9.427 -7.239 6.562 1.00 1.23 H new ATOM 0 HG SER B 24 8.421 -5.897 4.305 1.00 14.05 H new ATOM 2189 N VAL B 25 6.541 -8.414 3.929 1.00 72.42 N ATOM 2190 CA VAL B 25 6.497 -9.425 2.856 1.00 65.12 C ATOM 2191 C VAL B 25 7.799 -9.392 2.029 1.00 10.51 C ATOM 2192 O VAL B 25 8.360 -10.435 1.711 1.00 3.35 O ATOM 2193 CB VAL B 25 5.241 -9.204 1.918 1.00 51.20 C ATOM 2194 CG1 VAL B 25 5.170 -10.247 0.772 1.00 24.51 C ATOM 2195 CG2 VAL B 25 3.928 -9.195 2.747 1.00 0.43 C ATOM 0 H VAL B 25 5.790 -7.726 3.871 1.00 72.42 H new ATOM 0 HA VAL B 25 6.404 -10.406 3.321 1.00 65.12 H new ATOM 0 HB VAL B 25 5.360 -8.227 1.449 1.00 51.20 H new ATOM 0 HG11 VAL B 25 4.291 -10.053 0.157 1.00 24.51 H new ATOM 0 HG12 VAL B 25 6.067 -10.173 0.157 1.00 24.51 H new ATOM 0 HG13 VAL B 25 5.102 -11.249 1.196 1.00 24.51 H new ATOM 0 HG21 VAL B 25 3.079 -9.042 2.081 1.00 0.43 H new ATOM 0 HG22 VAL B 25 3.817 -10.149 3.263 1.00 0.43 H new ATOM 0 HG23 VAL B 25 3.965 -8.388 3.479 1.00 0.43 H new ATOM 2205 N THR B 26 8.284 -8.171 1.751 1.00 60.23 N ATOM 2206 CA THR B 26 9.477 -7.935 0.920 1.00 52.13 C ATOM 2207 C THR B 26 10.763 -8.486 1.574 1.00 12.43 C ATOM 2208 O THR B 26 11.478 -9.275 0.948 1.00 44.24 O ATOM 2209 CB THR B 26 9.622 -6.412 0.632 1.00 71.22 C ATOM 2210 OG1 THR B 26 8.391 -5.940 0.083 1.00 35.31 O ATOM 2211 CG2 THR B 26 10.768 -6.084 -0.342 1.00 24.05 C ATOM 0 H THR B 26 7.856 -7.313 2.099 1.00 60.23 H new ATOM 0 HA THR B 26 9.342 -8.474 -0.018 1.00 52.13 H new ATOM 0 HB THR B 26 9.861 -5.920 1.575 1.00 71.22 H new ATOM 0 HG1 THR B 26 8.456 -4.977 -0.086 1.00 35.31 H new ATOM 0 HG21 THR B 26 10.814 -5.006 -0.500 1.00 24.05 H new ATOM 0 HG22 THR B 26 11.713 -6.430 0.078 1.00 24.05 H new ATOM 0 HG23 THR B 26 10.590 -6.583 -1.295 1.00 24.05 H new ATOM 2219 N ILE B 27 11.023 -8.094 2.847 1.00 2.22 N ATOM 2220 CA ILE B 27 12.229 -8.531 3.589 1.00 41.41 C ATOM 2221 C ILE B 27 12.199 -10.059 3.788 1.00 53.24 C ATOM 2222 O ILE B 27 13.210 -10.735 3.579 1.00 63.41 O ATOM 2223 CB ILE B 27 12.369 -7.812 4.988 1.00 3.10 C ATOM 2224 CG1 ILE B 27 12.452 -6.263 4.811 1.00 60.31 C ATOM 2225 CG2 ILE B 27 13.599 -8.342 5.782 1.00 71.42 C ATOM 2226 CD1 ILE B 27 12.426 -5.472 6.113 1.00 42.11 C ATOM 0 H ILE B 27 10.412 -7.475 3.380 1.00 2.22 H new ATOM 0 HA ILE B 27 13.096 -8.250 2.990 1.00 41.41 H new ATOM 0 HB ILE B 27 11.476 -8.045 5.567 1.00 3.10 H new ATOM 0 HG12 ILE B 27 13.368 -6.021 4.273 1.00 60.31 H new ATOM 0 HG13 ILE B 27 11.620 -5.937 4.187 1.00 60.31 H new ATOM 0 HG21 ILE B 27 13.664 -7.825 6.739 1.00 71.42 H new ATOM 0 HG22 ILE B 27 13.487 -9.412 5.954 1.00 71.42 H new ATOM 0 HG23 ILE B 27 14.508 -8.160 5.209 1.00 71.42 H new ATOM 0 HD11 ILE B 27 12.488 -4.406 5.893 1.00 42.11 H new ATOM 0 HD12 ILE B 27 11.498 -5.679 6.646 1.00 42.11 H new ATOM 0 HD13 ILE B 27 13.273 -5.764 6.733 1.00 42.11 H new ATOM 2238 N LYS B 28 11.004 -10.585 4.144 1.00 23.02 N ATOM 2239 CA LYS B 28 10.785 -12.028 4.364 1.00 41.01 C ATOM 2240 C LYS B 28 11.091 -12.826 3.083 1.00 13.41 C ATOM 2241 O LYS B 28 11.783 -13.843 3.137 1.00 43.43 O ATOM 2242 CB LYS B 28 9.327 -12.297 4.817 1.00 63.12 C ATOM 2243 CG LYS B 28 9.026 -13.775 5.174 1.00 50.44 C ATOM 2244 CD LYS B 28 7.548 -14.014 5.551 1.00 63.03 C ATOM 2245 CE LYS B 28 6.570 -13.758 4.389 1.00 11.41 C ATOM 2246 NZ LYS B 28 6.730 -14.753 3.294 1.00 45.25 N ATOM 0 H LYS B 28 10.167 -10.019 4.286 1.00 23.02 H new ATOM 0 HA LYS B 28 11.464 -12.355 5.152 1.00 41.01 H new ATOM 0 HB2 LYS B 28 9.109 -11.675 5.686 1.00 63.12 H new ATOM 0 HB3 LYS B 28 8.650 -11.983 4.023 1.00 63.12 H new ATOM 0 HG2 LYS B 28 9.286 -14.408 4.326 1.00 50.44 H new ATOM 0 HG3 LYS B 28 9.661 -14.079 6.006 1.00 50.44 H new ATOM 0 HD2 LYS B 28 7.430 -15.042 5.895 1.00 63.03 H new ATOM 0 HD3 LYS B 28 7.285 -13.366 6.387 1.00 63.03 H new ATOM 0 HE2 LYS B 28 5.547 -13.792 4.763 1.00 11.41 H new ATOM 0 HE3 LYS B 28 6.732 -12.755 3.994 1.00 11.41 H new ATOM 0 HZ1 LYS B 28 6.139 -14.476 2.484 1.00 45.25 H new ATOM 0 HZ2 LYS B 28 7.727 -14.788 2.999 1.00 45.25 H new ATOM 0 HZ3 LYS B 28 6.436 -15.692 3.632 1.00 45.25 H new ATOM 2260 N ASN B 29 10.594 -12.323 1.932 1.00 75.02 N ATOM 2261 CA ASN B 29 10.798 -12.971 0.618 1.00 53.22 C ATOM 2262 C ASN B 29 12.264 -12.941 0.192 1.00 23.15 C ATOM 2263 O ASN B 29 12.715 -13.852 -0.492 1.00 4.11 O ATOM 2264 CB ASN B 29 9.912 -12.336 -0.492 1.00 34.14 C ATOM 2265 CG ASN B 29 8.416 -12.658 -0.376 1.00 24.11 C ATOM 2266 OD1 ASN B 29 7.567 -11.865 -0.795 1.00 14.44 O ATOM 2267 ND2 ASN B 29 8.067 -13.821 0.165 1.00 12.21 N ATOM 0 H ASN B 29 10.045 -11.464 1.887 1.00 75.02 H new ATOM 0 HA ASN B 29 10.495 -14.010 0.743 1.00 53.22 H new ATOM 0 HB2 ASN B 29 10.041 -11.254 -0.467 1.00 34.14 H new ATOM 0 HB3 ASN B 29 10.270 -12.677 -1.464 1.00 34.14 H new ATOM 0 HD21 ASN B 29 7.082 -14.073 0.240 1.00 12.21 H new ATOM 0 HD22 ASN B 29 8.785 -14.461 0.505 1.00 12.21 H new ATOM 2274 N MET B 30 12.990 -11.880 0.595 1.00 3.12 N ATOM 2275 CA MET B 30 14.442 -11.759 0.351 1.00 43.42 C ATOM 2276 C MET B 30 15.211 -12.826 1.146 1.00 14.54 C ATOM 2277 O MET B 30 16.123 -13.460 0.615 1.00 3.22 O ATOM 2278 CB MET B 30 14.942 -10.329 0.705 1.00 32.41 C ATOM 2279 CG MET B 30 14.459 -9.244 -0.269 1.00 70.21 C ATOM 2280 SD MET B 30 14.968 -7.582 0.209 1.00 2.31 S ATOM 2281 CE MET B 30 14.330 -6.609 -1.158 1.00 52.44 C ATOM 0 H MET B 30 12.590 -11.087 1.096 1.00 3.12 H new ATOM 0 HA MET B 30 14.630 -11.926 -0.710 1.00 43.42 H new ATOM 0 HB2 MET B 30 14.607 -10.076 1.711 1.00 32.41 H new ATOM 0 HB3 MET B 30 16.032 -10.329 0.722 1.00 32.41 H new ATOM 0 HG2 MET B 30 14.843 -9.462 -1.265 1.00 70.21 H new ATOM 0 HG3 MET B 30 13.371 -9.280 -0.332 1.00 70.21 H new ATOM 0 HE1 MET B 30 14.211 -5.572 -0.843 1.00 52.44 H new ATOM 0 HE2 MET B 30 15.027 -6.656 -1.995 1.00 52.44 H new ATOM 0 HE3 MET B 30 13.364 -7.007 -1.468 1.00 52.44 H new ATOM 2291 N ILE B 31 14.789 -13.044 2.409 1.00 22.10 N ATOM 2292 CA ILE B 31 15.367 -14.079 3.292 1.00 62.02 C ATOM 2293 C ILE B 31 15.121 -15.485 2.686 1.00 45.32 C ATOM 2294 O ILE B 31 16.055 -16.268 2.532 1.00 23.23 O ATOM 2295 CB ILE B 31 14.765 -13.978 4.753 1.00 42.24 C ATOM 2296 CG1 ILE B 31 15.078 -12.579 5.383 1.00 20.02 C ATOM 2297 CG2 ILE B 31 15.283 -15.117 5.669 1.00 3.42 C ATOM 2298 CD1 ILE B 31 14.426 -12.318 6.732 1.00 54.54 C ATOM 0 H ILE B 31 14.039 -12.508 2.845 1.00 22.10 H new ATOM 0 HA ILE B 31 16.442 -13.914 3.368 1.00 62.02 H new ATOM 0 HB ILE B 31 13.684 -14.090 4.670 1.00 42.24 H new ATOM 0 HG12 ILE B 31 16.158 -12.481 5.494 1.00 20.02 H new ATOM 0 HG13 ILE B 31 14.758 -11.804 4.686 1.00 20.02 H new ATOM 0 HG21 ILE B 31 14.847 -15.012 6.662 1.00 3.42 H new ATOM 0 HG22 ILE B 31 14.998 -16.081 5.248 1.00 3.42 H new ATOM 0 HG23 ILE B 31 16.369 -15.060 5.742 1.00 3.42 H new ATOM 0 HD11 ILE B 31 14.703 -11.324 7.084 1.00 54.54 H new ATOM 0 HD12 ILE B 31 13.342 -12.377 6.630 1.00 54.54 H new ATOM 0 HD13 ILE B 31 14.764 -13.065 7.450 1.00 54.54 H new ATOM 2310 N GLU B 32 13.862 -15.749 2.277 1.00 34.54 N ATOM 2311 CA GLU B 32 13.438 -17.043 1.678 1.00 23.24 C ATOM 2312 C GLU B 32 14.139 -17.303 0.325 1.00 40.12 C ATOM 2313 O GLU B 32 14.479 -18.448 0.009 1.00 33.13 O ATOM 2314 CB GLU B 32 11.897 -17.057 1.487 1.00 23.42 C ATOM 2315 CG GLU B 32 11.085 -16.970 2.798 1.00 20.13 C ATOM 2316 CD GLU B 32 9.588 -16.719 2.554 1.00 50.25 C ATOM 2317 OE1 GLU B 32 8.763 -17.652 2.700 1.00 24.12 O ATOM 2318 OE2 GLU B 32 9.231 -15.581 2.200 1.00 21.21 O ATOM 0 H GLU B 32 13.104 -15.071 2.351 1.00 34.54 H new ATOM 0 HA GLU B 32 13.730 -17.839 2.363 1.00 23.24 H new ATOM 0 HB2 GLU B 32 11.616 -16.222 0.845 1.00 23.42 H new ATOM 0 HB3 GLU B 32 11.618 -17.970 0.962 1.00 23.42 H new ATOM 0 HG2 GLU B 32 11.207 -17.897 3.358 1.00 20.13 H new ATOM 0 HG3 GLU B 32 11.487 -16.168 3.417 1.00 20.13 H new ATOM 2325 N ASP B 33 14.361 -16.216 -0.445 1.00 22.01 N ATOM 2326 CA ASP B 33 14.980 -16.262 -1.794 1.00 33.03 C ATOM 2327 C ASP B 33 16.457 -16.685 -1.702 1.00 72.30 C ATOM 2328 O ASP B 33 16.938 -17.507 -2.494 1.00 32.04 O ATOM 2329 CB ASP B 33 14.851 -14.874 -2.483 1.00 32.52 C ATOM 2330 CG ASP B 33 15.552 -14.784 -3.849 1.00 10.42 C ATOM 2331 OD1 ASP B 33 15.120 -15.479 -4.794 1.00 71.32 O ATOM 2332 OD2 ASP B 33 16.516 -14.001 -3.993 1.00 41.14 O ATOM 0 H ASP B 33 14.115 -15.272 -0.148 1.00 22.01 H new ATOM 0 HA ASP B 33 14.454 -17.004 -2.395 1.00 33.03 H new ATOM 0 HB2 ASP B 33 13.794 -14.642 -2.613 1.00 32.52 H new ATOM 0 HB3 ASP B 33 15.266 -14.112 -1.823 1.00 32.52 H new ATOM 2337 N ILE B 34 17.160 -16.104 -0.715 1.00 60.22 N ATOM 2338 CA ILE B 34 18.553 -16.465 -0.386 1.00 14.51 C ATOM 2339 C ILE B 34 18.593 -17.868 0.277 1.00 64.40 C ATOM 2340 O ILE B 34 19.580 -18.605 0.152 1.00 65.32 O ATOM 2341 CB ILE B 34 19.205 -15.374 0.561 1.00 61.02 C ATOM 2342 CG1 ILE B 34 19.146 -13.959 -0.113 1.00 35.14 C ATOM 2343 CG2 ILE B 34 20.666 -15.742 0.938 1.00 64.51 C ATOM 2344 CD1 ILE B 34 19.566 -12.802 0.785 1.00 53.24 C ATOM 0 H ILE B 34 16.779 -15.368 -0.120 1.00 60.22 H new ATOM 0 HA ILE B 34 19.135 -16.498 -1.307 1.00 14.51 H new ATOM 0 HB ILE B 34 18.626 -15.347 1.484 1.00 61.02 H new ATOM 0 HG12 ILE B 34 19.786 -13.966 -0.995 1.00 35.14 H new ATOM 0 HG13 ILE B 34 18.128 -13.780 -0.459 1.00 35.14 H new ATOM 0 HG21 ILE B 34 21.079 -14.971 1.588 1.00 64.51 H new ATOM 0 HG22 ILE B 34 20.677 -16.699 1.459 1.00 64.51 H new ATOM 0 HG23 ILE B 34 21.268 -15.814 0.032 1.00 64.51 H new ATOM 0 HD11 ILE B 34 19.492 -11.866 0.231 1.00 53.24 H new ATOM 0 HD12 ILE B 34 18.912 -12.761 1.656 1.00 53.24 H new ATOM 0 HD13 ILE B 34 20.595 -12.950 1.112 1.00 53.24 H new ATOM 2356 N GLY B 35 17.483 -18.239 0.941 1.00 2.14 N ATOM 2357 CA GLY B 35 17.390 -19.497 1.691 1.00 42.44 C ATOM 2358 C GLY B 35 17.823 -19.332 3.141 1.00 22.33 C ATOM 2359 O GLY B 35 18.155 -20.321 3.805 1.00 13.30 O ATOM 0 H GLY B 35 16.633 -17.677 0.971 1.00 2.14 H new ATOM 0 HA2 GLY B 35 16.364 -19.863 1.659 1.00 42.44 H new ATOM 0 HA3 GLY B 35 18.013 -20.252 1.211 1.00 42.44 H new ATOM 2363 N GLU B 36 17.837 -18.061 3.599 1.00 53.22 N ATOM 2364 CA GLU B 36 18.171 -17.647 4.966 1.00 23.03 C ATOM 2365 C GLU B 36 19.663 -17.884 5.272 1.00 31.44 C ATOM 2366 O GLU B 36 20.079 -19.002 5.594 1.00 62.24 O ATOM 2367 CB GLU B 36 17.250 -18.315 6.030 1.00 1.22 C ATOM 2368 CG GLU B 36 17.482 -17.806 7.471 1.00 65.01 C ATOM 2369 CD GLU B 36 16.637 -18.548 8.517 1.00 63.35 C ATOM 2370 OE1 GLU B 36 17.068 -19.622 8.994 1.00 31.21 O ATOM 2371 OE2 GLU B 36 15.542 -18.063 8.879 1.00 32.23 O ATOM 0 H GLU B 36 17.606 -17.270 2.998 1.00 53.22 H new ATOM 0 HA GLU B 36 17.986 -16.575 5.028 1.00 23.03 H new ATOM 0 HB2 GLU B 36 16.210 -18.139 5.757 1.00 1.22 H new ATOM 0 HB3 GLU B 36 17.408 -19.393 6.007 1.00 1.22 H new ATOM 0 HG2 GLU B 36 18.537 -17.914 7.722 1.00 65.01 H new ATOM 0 HG3 GLU B 36 17.251 -16.742 7.515 1.00 65.01 H new ATOM 2378 N SER B 37 20.458 -16.820 5.127 1.00 73.22 N ATOM 2379 CA SER B 37 21.889 -16.803 5.450 1.00 40.42 C ATOM 2380 C SER B 37 22.128 -15.857 6.637 1.00 62.44 C ATOM 2381 O SER B 37 21.179 -15.275 7.185 1.00 55.13 O ATOM 2382 CB SER B 37 22.686 -16.348 4.203 1.00 44.01 C ATOM 2383 OG SER B 37 22.226 -15.085 3.740 1.00 22.14 O ATOM 0 H SER B 37 20.117 -15.926 4.774 1.00 73.22 H new ATOM 0 HA SER B 37 22.228 -17.800 5.731 1.00 40.42 H new ATOM 0 HB2 SER B 37 23.747 -16.286 4.447 1.00 44.01 H new ATOM 0 HB3 SER B 37 22.584 -17.090 3.411 1.00 44.01 H new ATOM 0 HG SER B 37 21.624 -14.692 4.406 1.00 22.14 H new ATOM 2389 N ASP B 38 23.399 -15.720 7.030 1.00 4.25 N ATOM 2390 CA ASP B 38 23.823 -14.745 8.056 1.00 75.34 C ATOM 2391 C ASP B 38 24.020 -13.354 7.425 1.00 72.22 C ATOM 2392 O ASP B 38 24.169 -12.355 8.144 1.00 41.24 O ATOM 2393 CB ASP B 38 25.129 -15.209 8.750 1.00 13.40 C ATOM 2394 CG ASP B 38 25.033 -16.628 9.343 1.00 44.03 C ATOM 2395 OD1 ASP B 38 25.906 -17.476 9.056 1.00 50.33 O ATOM 2396 OD2 ASP B 38 24.080 -16.908 10.092 1.00 22.32 O ATOM 0 H ASP B 38 24.165 -16.277 6.651 1.00 4.25 H new ATOM 0 HA ASP B 38 23.038 -14.681 8.810 1.00 75.34 H new ATOM 0 HB2 ASP B 38 25.946 -15.179 8.029 1.00 13.40 H new ATOM 0 HB3 ASP B 38 25.379 -14.507 9.545 1.00 13.40 H new ATOM 2401 N SER B 39 24.019 -13.317 6.068 1.00 11.32 N ATOM 2402 CA SER B 39 24.139 -12.087 5.280 1.00 45.30 C ATOM 2403 C SER B 39 22.972 -11.121 5.599 1.00 35.00 C ATOM 2404 O SER B 39 21.812 -11.552 5.650 1.00 43.44 O ATOM 2405 CB SER B 39 24.151 -12.415 3.764 1.00 10.34 C ATOM 2406 OG SER B 39 25.248 -13.246 3.425 1.00 62.54 O ATOM 0 H SER B 39 23.933 -14.156 5.494 1.00 11.32 H new ATOM 0 HA SER B 39 25.079 -11.603 5.545 1.00 45.30 H new ATOM 0 HB2 SER B 39 23.219 -12.909 3.489 1.00 10.34 H new ATOM 0 HB3 SER B 39 24.202 -11.490 3.190 1.00 10.34 H new ATOM 0 HG SER B 39 25.229 -13.437 2.464 1.00 62.54 H new ATOM 2412 N PRO B 40 23.270 -9.811 5.846 1.00 41.14 N ATOM 2413 CA PRO B 40 22.234 -8.781 6.085 1.00 1.11 C ATOM 2414 C PRO B 40 21.451 -8.451 4.801 1.00 73.13 C ATOM 2415 O PRO B 40 21.901 -8.762 3.690 1.00 2.33 O ATOM 2416 CB PRO B 40 23.058 -7.572 6.587 1.00 20.21 C ATOM 2417 CG PRO B 40 24.408 -7.749 5.968 1.00 51.44 C ATOM 2418 CD PRO B 40 24.641 -9.236 5.927 1.00 71.51 C ATOM 0 HA PRO B 40 21.469 -9.098 6.794 1.00 1.11 H new ATOM 0 HB2 PRO B 40 22.603 -6.629 6.283 1.00 20.21 H new ATOM 0 HB3 PRO B 40 23.120 -7.559 7.675 1.00 20.21 H new ATOM 0 HG2 PRO B 40 24.440 -7.319 4.967 1.00 51.44 H new ATOM 0 HG3 PRO B 40 25.177 -7.247 6.555 1.00 51.44 H new ATOM 0 HD2 PRO B 40 25.246 -9.522 5.066 1.00 71.51 H new ATOM 0 HD3 PRO B 40 25.168 -9.583 6.816 1.00 71.51 H new ATOM 2426 N ILE B 41 20.265 -7.846 4.966 1.00 53.30 N ATOM 2427 CA ILE B 41 19.416 -7.415 3.849 1.00 25.21 C ATOM 2428 C ILE B 41 19.460 -5.866 3.796 1.00 71.21 C ATOM 2429 O ILE B 41 18.722 -5.200 4.533 1.00 4.22 O ATOM 2430 CB ILE B 41 17.917 -7.955 3.985 1.00 22.13 C ATOM 2431 CG1 ILE B 41 17.835 -9.535 3.971 1.00 53.11 C ATOM 2432 CG2 ILE B 41 17.004 -7.364 2.881 1.00 34.23 C ATOM 2433 CD1 ILE B 41 18.251 -10.234 5.266 1.00 23.22 C ATOM 0 H ILE B 41 19.868 -7.642 5.883 1.00 53.30 H new ATOM 0 HA ILE B 41 19.795 -7.837 2.918 1.00 25.21 H new ATOM 0 HB ILE B 41 17.559 -7.618 4.958 1.00 22.13 H new ATOM 0 HG12 ILE B 41 16.811 -9.825 3.737 1.00 53.11 H new ATOM 0 HG13 ILE B 41 18.464 -9.906 3.162 1.00 53.11 H new ATOM 0 HG21 ILE B 41 15.992 -7.750 3.001 1.00 34.23 H new ATOM 0 HG22 ILE B 41 16.990 -6.277 2.964 1.00 34.23 H new ATOM 0 HG23 ILE B 41 17.387 -7.648 1.901 1.00 34.23 H new ATOM 0 HD11 ILE B 41 18.156 -11.313 5.144 1.00 23.22 H new ATOM 0 HD12 ILE B 41 19.287 -9.985 5.497 1.00 23.22 H new ATOM 0 HD13 ILE B 41 17.607 -9.903 6.081 1.00 23.22 H new ATOM 2445 N PRO B 42 20.383 -5.259 2.972 1.00 42.43 N ATOM 2446 CA PRO B 42 20.474 -3.793 2.825 1.00 41.11 C ATOM 2447 C PRO B 42 19.279 -3.242 2.026 1.00 34.21 C ATOM 2448 O PRO B 42 18.972 -3.742 0.938 1.00 44.34 O ATOM 2449 CB PRO B 42 21.829 -3.569 2.074 1.00 33.30 C ATOM 2450 CG PRO B 42 22.520 -4.903 2.094 1.00 52.22 C ATOM 2451 CD PRO B 42 21.409 -5.925 2.131 1.00 51.03 C ATOM 0 HA PRO B 42 20.444 -3.270 3.781 1.00 41.11 H new ATOM 0 HB2 PRO B 42 21.661 -3.229 1.052 1.00 33.30 H new ATOM 0 HB3 PRO B 42 22.431 -2.807 2.569 1.00 33.30 H new ATOM 0 HG2 PRO B 42 23.147 -5.035 1.212 1.00 52.22 H new ATOM 0 HG3 PRO B 42 23.170 -4.997 2.964 1.00 52.22 H new ATOM 0 HD2 PRO B 42 21.032 -6.150 1.133 1.00 51.03 H new ATOM 0 HD3 PRO B 42 21.740 -6.868 2.566 1.00 51.03 H new ATOM 2459 N LEU B 43 18.590 -2.246 2.596 1.00 44.22 N ATOM 2460 CA LEU B 43 17.467 -1.550 1.954 1.00 42.54 C ATOM 2461 C LEU B 43 17.924 -0.116 1.563 1.00 73.05 C ATOM 2462 O LEU B 43 17.706 0.834 2.325 1.00 24.03 O ATOM 2463 CB LEU B 43 16.253 -1.528 2.934 1.00 25.03 C ATOM 2464 CG LEU B 43 15.768 -2.922 3.459 1.00 22.41 C ATOM 2465 CD1 LEU B 43 14.694 -2.767 4.560 1.00 14.14 C ATOM 2466 CD2 LEU B 43 15.267 -3.824 2.304 1.00 72.13 C ATOM 0 H LEU B 43 18.800 -1.895 3.531 1.00 44.22 H new ATOM 0 HA LEU B 43 17.154 -2.066 1.046 1.00 42.54 H new ATOM 0 HB2 LEU B 43 16.516 -0.910 3.793 1.00 25.03 H new ATOM 0 HB3 LEU B 43 15.417 -1.039 2.434 1.00 25.03 H new ATOM 0 HG LEU B 43 16.629 -3.418 3.907 1.00 22.41 H new ATOM 0 HD11 LEU B 43 14.379 -3.753 4.902 1.00 14.14 H new ATOM 0 HD12 LEU B 43 15.110 -2.208 5.398 1.00 14.14 H new ATOM 0 HD13 LEU B 43 13.835 -2.231 4.157 1.00 14.14 H new ATOM 0 HD21 LEU B 43 14.939 -4.782 2.707 1.00 72.13 H new ATOM 0 HD22 LEU B 43 14.433 -3.338 1.799 1.00 72.13 H new ATOM 0 HD23 LEU B 43 16.077 -3.988 1.593 1.00 72.13 H new ATOM 2478 N PRO B 44 18.591 0.065 0.365 1.00 13.22 N ATOM 2479 CA PRO B 44 19.188 1.367 -0.029 1.00 44.23 C ATOM 2480 C PRO B 44 18.148 2.357 -0.589 1.00 33.21 C ATOM 2481 O PRO B 44 18.483 3.500 -0.913 1.00 65.23 O ATOM 2482 CB PRO B 44 20.218 0.943 -1.103 1.00 43.53 C ATOM 2483 CG PRO B 44 19.570 -0.222 -1.791 1.00 24.33 C ATOM 2484 CD PRO B 44 18.799 -0.963 -0.704 1.00 5.03 C ATOM 0 HA PRO B 44 19.624 1.906 0.812 1.00 44.23 H new ATOM 0 HB2 PRO B 44 20.423 1.755 -1.801 1.00 43.53 H new ATOM 0 HB3 PRO B 44 21.170 0.661 -0.653 1.00 43.53 H new ATOM 0 HG2 PRO B 44 18.903 0.113 -2.585 1.00 24.33 H new ATOM 0 HG3 PRO B 44 20.316 -0.869 -2.253 1.00 24.33 H new ATOM 0 HD2 PRO B 44 17.850 -1.345 -1.079 1.00 5.03 H new ATOM 0 HD3 PRO B 44 19.361 -1.819 -0.330 1.00 5.03 H new ATOM 2492 N ASN B 45 16.891 1.892 -0.703 1.00 52.22 N ATOM 2493 CA ASN B 45 15.754 2.694 -1.186 1.00 41.44 C ATOM 2494 C ASN B 45 15.266 3.623 -0.057 1.00 70.14 C ATOM 2495 O ASN B 45 15.137 4.839 -0.244 1.00 23.24 O ATOM 2496 CB ASN B 45 14.618 1.734 -1.658 1.00 34.25 C ATOM 2497 CG ASN B 45 13.442 2.415 -2.394 1.00 53.42 C ATOM 2498 OD1 ASN B 45 13.110 3.574 -2.171 1.00 71.44 O ATOM 2499 ND2 ASN B 45 12.780 1.675 -3.271 1.00 71.32 N ATOM 0 H ASN B 45 16.634 0.936 -0.459 1.00 52.22 H new ATOM 0 HA ASN B 45 16.057 3.314 -2.030 1.00 41.44 H new ATOM 0 HB2 ASN B 45 15.051 0.982 -2.317 1.00 34.25 H new ATOM 0 HB3 ASN B 45 14.225 1.207 -0.788 1.00 34.25 H new ATOM 0 HD21 ASN B 45 11.983 2.068 -3.771 1.00 71.32 H new ATOM 0 HD22 ASN B 45 13.068 0.712 -3.446 1.00 71.32 H new ATOM 2506 N VAL B 46 15.030 3.028 1.122 1.00 4.11 N ATOM 2507 CA VAL B 46 14.498 3.737 2.300 1.00 43.00 C ATOM 2508 C VAL B 46 15.654 4.300 3.163 1.00 44.10 C ATOM 2509 O VAL B 46 16.662 3.621 3.381 1.00 20.01 O ATOM 2510 CB VAL B 46 13.556 2.791 3.149 1.00 73.11 C ATOM 2511 CG1 VAL B 46 14.291 1.518 3.627 1.00 33.31 C ATOM 2512 CG2 VAL B 46 12.909 3.551 4.331 1.00 12.44 C ATOM 0 H VAL B 46 15.203 2.037 1.288 1.00 4.11 H new ATOM 0 HA VAL B 46 13.897 4.577 1.954 1.00 43.00 H new ATOM 0 HB VAL B 46 12.753 2.464 2.489 1.00 73.11 H new ATOM 0 HG11 VAL B 46 13.606 0.898 4.206 1.00 33.31 H new ATOM 0 HG12 VAL B 46 14.646 0.957 2.763 1.00 33.31 H new ATOM 0 HG13 VAL B 46 15.140 1.800 4.250 1.00 33.31 H new ATOM 0 HG21 VAL B 46 12.268 2.872 4.893 1.00 12.44 H new ATOM 0 HG22 VAL B 46 13.690 3.938 4.985 1.00 12.44 H new ATOM 0 HG23 VAL B 46 12.312 4.379 3.948 1.00 12.44 H new ATOM 2522 N THR B 47 15.500 5.553 3.634 1.00 33.51 N ATOM 2523 CA THR B 47 16.501 6.244 4.473 1.00 65.23 C ATOM 2524 C THR B 47 16.475 5.713 5.927 1.00 22.11 C ATOM 2525 O THR B 47 15.572 4.954 6.293 1.00 62.50 O ATOM 2526 CB THR B 47 16.241 7.782 4.440 1.00 63.31 C ATOM 2527 OG1 THR B 47 14.928 8.062 4.937 1.00 44.14 O ATOM 2528 CG2 THR B 47 16.373 8.350 3.013 1.00 3.32 C ATOM 0 H THR B 47 14.673 6.118 3.442 1.00 33.51 H new ATOM 0 HA THR B 47 17.493 6.042 4.069 1.00 65.23 H new ATOM 0 HB THR B 47 16.992 8.259 5.070 1.00 63.31 H new ATOM 0 HG1 THR B 47 14.770 9.029 4.916 1.00 44.14 H new ATOM 0 HG21 THR B 47 16.185 9.424 3.030 1.00 3.32 H new ATOM 0 HG22 THR B 47 17.380 8.164 2.639 1.00 3.32 H new ATOM 0 HG23 THR B 47 15.648 7.865 2.360 1.00 3.32 H new ATOM 2536 N SER B 48 17.462 6.137 6.749 1.00 41.10 N ATOM 2537 CA SER B 48 17.682 5.585 8.104 1.00 62.03 C ATOM 2538 C SER B 48 16.579 5.982 9.088 1.00 71.20 C ATOM 2539 O SER B 48 16.033 5.121 9.774 1.00 4.20 O ATOM 2540 CB SER B 48 19.057 6.021 8.649 1.00 34.00 C ATOM 2541 OG SER B 48 19.203 7.432 8.659 1.00 0.43 O ATOM 0 H SER B 48 18.125 6.868 6.492 1.00 41.10 H new ATOM 0 HA SER B 48 17.656 4.500 8.008 1.00 62.03 H new ATOM 0 HB2 SER B 48 19.184 5.636 9.661 1.00 34.00 H new ATOM 0 HB3 SER B 48 19.845 5.580 8.039 1.00 34.00 H new ATOM 0 HG SER B 48 20.086 7.667 9.012 1.00 0.43 H new ATOM 2547 N THR B 49 16.243 7.283 9.123 1.00 53.22 N ATOM 2548 CA THR B 49 15.247 7.836 10.064 1.00 75.24 C ATOM 2549 C THR B 49 13.854 7.235 9.807 1.00 5.42 C ATOM 2550 O THR B 49 13.100 6.936 10.742 1.00 13.31 O ATOM 2551 CB THR B 49 15.189 9.392 9.941 1.00 13.54 C ATOM 2552 OG1 THR B 49 14.907 9.750 8.576 1.00 15.21 O ATOM 2553 CG2 THR B 49 16.509 10.054 10.387 1.00 42.43 C ATOM 0 H THR B 49 16.652 7.981 8.502 1.00 53.22 H new ATOM 0 HA THR B 49 15.555 7.571 11.076 1.00 75.24 H new ATOM 0 HB THR B 49 14.399 9.753 10.599 1.00 13.54 H new ATOM 0 HG1 THR B 49 14.868 10.726 8.495 1.00 15.21 H new ATOM 0 HG21 THR B 49 16.426 11.136 10.286 1.00 42.43 H new ATOM 0 HG22 THR B 49 16.709 9.801 11.428 1.00 42.43 H new ATOM 0 HG23 THR B 49 17.326 9.693 9.763 1.00 42.43 H new ATOM 2561 N ILE B 50 13.540 7.041 8.517 1.00 63.44 N ATOM 2562 CA ILE B 50 12.243 6.518 8.080 1.00 15.01 C ATOM 2563 C ILE B 50 12.155 5.020 8.373 1.00 74.23 C ATOM 2564 O ILE B 50 11.178 4.575 8.978 1.00 21.30 O ATOM 2565 CB ILE B 50 12.005 6.812 6.555 1.00 71.42 C ATOM 2566 CG1 ILE B 50 12.088 8.349 6.293 1.00 64.33 C ATOM 2567 CG2 ILE B 50 10.658 6.232 6.058 1.00 33.41 C ATOM 2568 CD1 ILE B 50 11.117 9.187 7.113 1.00 62.41 C ATOM 0 H ILE B 50 14.181 7.243 7.750 1.00 63.44 H new ATOM 0 HA ILE B 50 11.456 7.025 8.639 1.00 15.01 H new ATOM 0 HB ILE B 50 12.790 6.313 5.986 1.00 71.42 H new ATOM 0 HG12 ILE B 50 13.103 8.685 6.502 1.00 64.33 H new ATOM 0 HG13 ILE B 50 11.903 8.534 5.235 1.00 64.33 H new ATOM 0 HG21 ILE B 50 10.533 6.458 4.999 1.00 33.41 H new ATOM 0 HG22 ILE B 50 10.652 5.152 6.202 1.00 33.41 H new ATOM 0 HG23 ILE B 50 9.839 6.678 6.623 1.00 33.41 H new ATOM 0 HD11 ILE B 50 11.246 10.240 6.865 1.00 62.41 H new ATOM 0 HD12 ILE B 50 10.095 8.884 6.888 1.00 62.41 H new ATOM 0 HD13 ILE B 50 11.314 9.037 8.175 1.00 62.41 H new ATOM 2580 N LEU B 51 13.219 4.269 7.996 1.00 0.12 N ATOM 2581 CA LEU B 51 13.300 2.812 8.242 1.00 41.32 C ATOM 2582 C LEU B 51 13.267 2.514 9.750 1.00 23.30 C ATOM 2583 O LEU B 51 12.682 1.517 10.164 1.00 11.13 O ATOM 2584 CB LEU B 51 14.577 2.192 7.594 1.00 23.43 C ATOM 2585 CG LEU B 51 14.729 0.633 7.721 1.00 63.30 C ATOM 2586 CD1 LEU B 51 13.512 -0.109 7.119 1.00 54.35 C ATOM 2587 CD2 LEU B 51 16.053 0.142 7.089 1.00 21.43 C ATOM 0 H LEU B 51 14.035 4.653 7.519 1.00 0.12 H new ATOM 0 HA LEU B 51 12.430 2.351 7.774 1.00 41.32 H new ATOM 0 HB2 LEU B 51 14.586 2.453 6.536 1.00 23.43 H new ATOM 0 HB3 LEU B 51 15.452 2.660 8.045 1.00 23.43 H new ATOM 0 HG LEU B 51 14.762 0.397 8.785 1.00 63.30 H new ATOM 0 HD11 LEU B 51 13.653 -1.185 7.225 1.00 54.35 H new ATOM 0 HD12 LEU B 51 12.606 0.192 7.645 1.00 54.35 H new ATOM 0 HD13 LEU B 51 13.419 0.142 6.062 1.00 54.35 H new ATOM 0 HD21 LEU B 51 16.127 -0.940 7.194 1.00 21.43 H new ATOM 0 HD22 LEU B 51 16.071 0.406 6.032 1.00 21.43 H new ATOM 0 HD23 LEU B 51 16.895 0.614 7.596 1.00 21.43 H new ATOM 2599 N GLU B 52 13.862 3.423 10.554 1.00 3.34 N ATOM 2600 CA GLU B 52 13.884 3.315 12.023 1.00 24.34 C ATOM 2601 C GLU B 52 12.445 3.278 12.561 1.00 41.21 C ATOM 2602 O GLU B 52 12.055 2.320 13.230 1.00 44.13 O ATOM 2603 CB GLU B 52 14.664 4.511 12.634 1.00 53.40 C ATOM 2604 CG GLU B 52 14.802 4.479 14.170 1.00 51.01 C ATOM 2605 CD GLU B 52 15.545 5.701 14.722 1.00 33.22 C ATOM 2606 OE1 GLU B 52 14.892 6.728 15.008 1.00 63.31 O ATOM 2607 OE2 GLU B 52 16.788 5.651 14.851 1.00 33.32 O ATOM 0 H GLU B 52 14.340 4.251 10.199 1.00 3.34 H new ATOM 0 HA GLU B 52 14.390 2.393 12.309 1.00 24.34 H new ATOM 0 HB2 GLU B 52 15.661 4.538 12.195 1.00 53.40 H new ATOM 0 HB3 GLU B 52 14.164 5.436 12.348 1.00 53.40 H new ATOM 0 HG2 GLU B 52 13.810 4.428 14.619 1.00 51.01 H new ATOM 0 HG3 GLU B 52 15.332 3.573 14.464 1.00 51.01 H new ATOM 2614 N LYS B 53 11.649 4.295 12.166 1.00 34.52 N ATOM 2615 CA LYS B 53 10.232 4.415 12.569 1.00 51.21 C ATOM 2616 C LYS B 53 9.397 3.233 12.044 1.00 64.22 C ATOM 2617 O LYS B 53 8.556 2.695 12.771 1.00 32.55 O ATOM 2618 CB LYS B 53 9.626 5.767 12.090 1.00 22.31 C ATOM 2619 CG LYS B 53 9.989 6.985 12.973 1.00 22.24 C ATOM 2620 CD LYS B 53 9.300 8.290 12.504 1.00 5.55 C ATOM 2621 CE LYS B 53 9.792 8.759 11.124 1.00 42.45 C ATOM 2622 NZ LYS B 53 11.249 9.037 11.133 1.00 14.41 N ATOM 0 H LYS B 53 11.969 5.052 11.562 1.00 34.52 H new ATOM 0 HA LYS B 53 10.200 4.392 13.658 1.00 51.21 H new ATOM 0 HB2 LYS B 53 9.963 5.960 11.071 1.00 22.31 H new ATOM 0 HB3 LYS B 53 8.541 5.671 12.054 1.00 22.31 H new ATOM 0 HG2 LYS B 53 9.703 6.779 14.004 1.00 22.24 H new ATOM 0 HG3 LYS B 53 11.070 7.126 12.964 1.00 22.24 H new ATOM 0 HD2 LYS B 53 8.222 8.134 12.467 1.00 5.55 H new ATOM 0 HD3 LYS B 53 9.483 9.076 13.237 1.00 5.55 H new ATOM 0 HE2 LYS B 53 9.571 7.995 10.379 1.00 42.45 H new ATOM 0 HE3 LYS B 53 9.251 9.658 10.830 1.00 42.45 H new ATOM 0 HZ1 LYS B 53 11.479 9.708 10.372 1.00 14.41 H new ATOM 0 HZ2 LYS B 53 11.518 9.447 12.050 1.00 14.41 H new ATOM 0 HZ3 LYS B 53 11.772 8.151 10.983 1.00 14.41 H new ATOM 2636 N VAL B 54 9.667 2.817 10.791 1.00 22.54 N ATOM 2637 CA VAL B 54 8.984 1.677 10.154 1.00 74.13 C ATOM 2638 C VAL B 54 9.172 0.403 10.998 1.00 74.14 C ATOM 2639 O VAL B 54 8.221 -0.361 11.221 1.00 74.43 O ATOM 2640 CB VAL B 54 9.474 1.470 8.660 1.00 21.14 C ATOM 2641 CG1 VAL B 54 8.971 0.138 8.055 1.00 43.53 C ATOM 2642 CG2 VAL B 54 9.029 2.658 7.771 1.00 44.22 C ATOM 0 H VAL B 54 10.364 3.262 10.194 1.00 22.54 H new ATOM 0 HA VAL B 54 7.917 1.897 10.108 1.00 74.13 H new ATOM 0 HB VAL B 54 10.563 1.427 8.687 1.00 21.14 H new ATOM 0 HG11 VAL B 54 9.333 0.044 7.031 1.00 43.53 H new ATOM 0 HG12 VAL B 54 9.344 -0.696 8.650 1.00 43.53 H new ATOM 0 HG13 VAL B 54 7.881 0.126 8.057 1.00 43.53 H new ATOM 0 HG21 VAL B 54 9.375 2.498 6.750 1.00 44.22 H new ATOM 0 HG22 VAL B 54 7.941 2.731 7.779 1.00 44.22 H new ATOM 0 HG23 VAL B 54 9.457 3.583 8.158 1.00 44.22 H new ATOM 2652 N LEU B 55 10.393 0.240 11.524 1.00 0.51 N ATOM 2653 CA LEU B 55 10.758 -0.895 12.373 1.00 45.10 C ATOM 2654 C LEU B 55 10.161 -0.770 13.788 1.00 32.35 C ATOM 2655 O LEU B 55 9.842 -1.784 14.394 1.00 51.01 O ATOM 2656 CB LEU B 55 12.300 -1.048 12.423 1.00 15.33 C ATOM 2657 CG LEU B 55 12.982 -1.443 11.072 1.00 63.13 C ATOM 2658 CD1 LEU B 55 14.497 -1.622 11.251 1.00 53.51 C ATOM 2659 CD2 LEU B 55 12.334 -2.698 10.440 1.00 52.14 C ATOM 0 H LEU B 55 11.158 0.897 11.370 1.00 0.51 H new ATOM 0 HA LEU B 55 10.332 -1.797 11.932 1.00 45.10 H new ATOM 0 HB2 LEU B 55 12.730 -0.107 12.765 1.00 15.33 H new ATOM 0 HB3 LEU B 55 12.549 -1.802 13.170 1.00 15.33 H new ATOM 0 HG LEU B 55 12.822 -0.620 10.375 1.00 63.13 H new ATOM 0 HD11 LEU B 55 14.946 -1.896 10.297 1.00 53.51 H new ATOM 0 HD12 LEU B 55 14.935 -0.688 11.603 1.00 53.51 H new ATOM 0 HD13 LEU B 55 14.687 -2.409 11.981 1.00 53.51 H new ATOM 0 HD21 LEU B 55 12.839 -2.936 9.504 1.00 52.14 H new ATOM 0 HD22 LEU B 55 12.426 -3.540 11.126 1.00 52.14 H new ATOM 0 HD23 LEU B 55 11.280 -2.504 10.244 1.00 52.14 H new ATOM 2671 N ASP B 56 9.999 0.474 14.288 1.00 14.23 N ATOM 2672 CA ASP B 56 9.451 0.742 15.644 1.00 63.22 C ATOM 2673 C ASP B 56 7.942 0.423 15.729 1.00 22.20 C ATOM 2674 O ASP B 56 7.465 -0.079 16.759 1.00 24.41 O ATOM 2675 CB ASP B 56 9.719 2.214 16.079 1.00 11.30 C ATOM 2676 CG ASP B 56 11.206 2.520 16.348 1.00 74.33 C ATOM 2677 OD1 ASP B 56 11.723 3.544 15.852 1.00 73.23 O ATOM 2678 OD2 ASP B 56 11.866 1.733 17.068 1.00 70.12 O ATOM 0 H ASP B 56 10.241 1.319 13.770 1.00 14.23 H new ATOM 0 HA ASP B 56 9.971 0.077 16.333 1.00 63.22 H new ATOM 0 HB2 ASP B 56 9.354 2.885 15.302 1.00 11.30 H new ATOM 0 HB3 ASP B 56 9.144 2.427 16.980 1.00 11.30 H new ATOM 2683 N TYR B 57 7.199 0.723 14.647 1.00 24.23 N ATOM 2684 CA TYR B 57 5.770 0.351 14.519 1.00 42.14 C ATOM 2685 C TYR B 57 5.631 -1.178 14.412 1.00 5.41 C ATOM 2686 O TYR B 57 4.708 -1.778 14.976 1.00 23.34 O ATOM 2687 CB TYR B 57 5.137 1.029 13.277 1.00 22.33 C ATOM 2688 CG TYR B 57 3.637 0.733 13.087 1.00 71.42 C ATOM 2689 CD1 TYR B 57 2.654 1.571 13.628 1.00 1.42 C ATOM 2690 CD2 TYR B 57 3.202 -0.397 12.380 1.00 62.42 C ATOM 2691 CE1 TYR B 57 1.310 1.287 13.474 1.00 3.25 C ATOM 2692 CE2 TYR B 57 1.864 -0.676 12.226 1.00 24.43 C ATOM 2693 CZ TYR B 57 0.923 0.163 12.771 1.00 53.21 C ATOM 2694 OH TYR B 57 -0.415 -0.138 12.627 1.00 54.25 O ATOM 0 H TYR B 57 7.566 1.227 13.840 1.00 24.23 H new ATOM 0 HA TYR B 57 5.242 0.697 15.408 1.00 42.14 H new ATOM 0 HB2 TYR B 57 5.275 2.107 13.357 1.00 22.33 H new ATOM 0 HB3 TYR B 57 5.675 0.704 12.387 1.00 22.33 H new ATOM 0 HD1 TYR B 57 2.951 2.454 14.175 1.00 1.42 H new ATOM 0 HD2 TYR B 57 3.934 -1.063 11.947 1.00 62.42 H new ATOM 0 HE1 TYR B 57 0.565 1.942 13.902 1.00 3.25 H new ATOM 0 HE2 TYR B 57 1.554 -1.553 11.678 1.00 24.43 H new ATOM 0 HH TYR B 57 -0.511 -0.961 12.104 1.00 54.25 H new ATOM 2704 N CYS B 58 6.544 -1.789 13.648 1.00 22.43 N ATOM 2705 CA CYS B 58 6.597 -3.244 13.483 1.00 2.12 C ATOM 2706 C CYS B 58 6.935 -3.943 14.827 1.00 22.14 C ATOM 2707 O CYS B 58 6.417 -5.031 15.124 1.00 33.34 O ATOM 2708 CB CYS B 58 7.604 -3.596 12.369 1.00 74.02 C ATOM 2709 SG CYS B 58 7.098 -3.023 10.738 1.00 65.12 S ATOM 0 H CYS B 58 7.265 -1.289 13.128 1.00 22.43 H new ATOM 0 HA CYS B 58 5.617 -3.613 13.182 1.00 2.12 H new ATOM 0 HB2 CYS B 58 8.573 -3.160 12.614 1.00 74.02 H new ATOM 0 HB3 CYS B 58 7.739 -4.677 12.340 1.00 74.02 H new ATOM 0 HG CYS B 58 7.379 -1.760 10.615 1.00 65.12 H new ATOM 2715 N ARG B 59 7.790 -3.286 15.641 1.00 55.35 N ATOM 2716 CA ARG B 59 8.110 -3.730 17.016 1.00 71.54 C ATOM 2717 C ARG B 59 6.859 -3.658 17.896 1.00 41.33 C ATOM 2718 O ARG B 59 6.611 -4.561 18.685 1.00 35.03 O ATOM 2719 CB ARG B 59 9.247 -2.867 17.640 1.00 13.11 C ATOM 2720 CG ARG B 59 10.656 -3.155 17.074 1.00 22.34 C ATOM 2721 CD ARG B 59 11.718 -2.179 17.608 1.00 35.02 C ATOM 2722 NE ARG B 59 13.065 -2.497 17.102 1.00 51.44 N ATOM 2723 CZ ARG B 59 14.076 -1.616 16.998 1.00 20.43 C ATOM 2724 NH1 ARG B 59 13.911 -0.345 17.366 1.00 51.41 N ATOM 2725 NH2 ARG B 59 15.253 -2.014 16.531 1.00 1.21 N ATOM 0 H ARG B 59 8.277 -2.434 15.364 1.00 55.35 H new ATOM 0 HA ARG B 59 8.457 -4.762 16.963 1.00 71.54 H new ATOM 0 HB2 ARG B 59 9.014 -1.814 17.482 1.00 13.11 H new ATOM 0 HB3 ARG B 59 9.261 -3.032 18.717 1.00 13.11 H new ATOM 0 HG2 ARG B 59 10.944 -4.175 17.328 1.00 22.34 H new ATOM 0 HG3 ARG B 59 10.626 -3.094 15.986 1.00 22.34 H new ATOM 0 HD2 ARG B 59 11.453 -1.162 17.319 1.00 35.02 H new ATOM 0 HD3 ARG B 59 11.723 -2.210 18.698 1.00 35.02 H new ATOM 0 HE ARG B 59 13.244 -3.457 16.809 1.00 51.44 H new ATOM 0 HH11 ARG B 59 13.011 -0.032 17.731 1.00 51.41 H new ATOM 0 HH12 ARG B 59 14.685 0.315 17.283 1.00 51.41 H new ATOM 0 HH21 ARG B 59 15.389 -2.986 16.252 1.00 1.21 H new ATOM 0 HH22 ARG B 59 16.022 -1.348 16.451 1.00 1.21 H new ATOM 2739 N HIS B 60 6.069 -2.574 17.720 1.00 13.13 N ATOM 2740 CA HIS B 60 4.790 -2.371 18.433 1.00 44.22 C ATOM 2741 C HIS B 60 3.830 -3.551 18.184 1.00 0.40 C ATOM 2742 O HIS B 60 3.116 -3.980 19.094 1.00 64.42 O ATOM 2743 CB HIS B 60 4.112 -1.043 17.987 1.00 0.25 C ATOM 2744 CG HIS B 60 2.786 -0.775 18.654 1.00 13.34 C ATOM 2745 ND1 HIS B 60 1.578 -1.179 18.131 1.00 25.43 N ATOM 2746 CD2 HIS B 60 2.494 -0.169 19.819 1.00 12.00 C ATOM 2747 CE1 HIS B 60 0.607 -0.832 18.949 1.00 20.42 C ATOM 2748 NE2 HIS B 60 1.131 -0.215 19.987 1.00 2.11 N ATOM 0 H HIS B 60 6.302 -1.816 17.079 1.00 13.13 H new ATOM 0 HA HIS B 60 5.011 -2.314 19.499 1.00 44.22 H new ATOM 0 HB2 HIS B 60 4.787 -0.214 18.198 1.00 0.25 H new ATOM 0 HB3 HIS B 60 3.965 -1.067 16.907 1.00 0.25 H new ATOM 0 HD2 HIS B 60 3.204 0.275 20.501 1.00 12.00 H new ATOM 0 HE1 HIS B 60 -0.445 -1.022 18.794 1.00 20.42 H new ATOM 0 HE2 HIS B 60 0.614 0.164 20.780 1.00 2.11 H new ATOM 2757 N HIS B 61 3.824 -4.054 16.932 1.00 5.20 N ATOM 2758 CA HIS B 61 2.979 -5.188 16.531 1.00 15.45 C ATOM 2759 C HIS B 61 3.522 -6.525 17.085 1.00 32.41 C ATOM 2760 O HIS B 61 2.751 -7.448 17.322 1.00 65.22 O ATOM 2761 CB HIS B 61 2.847 -5.266 14.988 1.00 72.24 C ATOM 2762 CG HIS B 61 1.824 -6.280 14.533 1.00 60.34 C ATOM 2763 ND1 HIS B 61 2.130 -7.595 14.259 1.00 33.11 N ATOM 2764 CD2 HIS B 61 0.487 -6.171 14.354 1.00 33.12 C ATOM 2765 CE1 HIS B 61 1.035 -8.250 13.942 1.00 10.31 C ATOM 2766 NE2 HIS B 61 0.026 -7.411 13.991 1.00 1.43 N ATOM 0 H HIS B 61 4.403 -3.685 16.178 1.00 5.20 H new ATOM 0 HA HIS B 61 1.991 -5.019 16.959 1.00 15.45 H new ATOM 0 HB2 HIS B 61 2.573 -4.284 14.602 1.00 72.24 H new ATOM 0 HB3 HIS B 61 3.816 -5.518 14.558 1.00 72.24 H new ATOM 0 HD1 HIS B 61 3.066 -8.000 14.296 1.00 33.11 H new ATOM 0 HD2 HIS B 61 -0.106 -5.276 14.474 1.00 33.12 H new ATOM 0 HE1 HIS B 61 0.976 -9.297 13.686 1.00 10.31 H new ATOM 2775 N HIS B 62 4.851 -6.638 17.269 1.00 4.21 N ATOM 2776 CA HIS B 62 5.464 -7.865 17.836 1.00 34.42 C ATOM 2777 C HIS B 62 5.293 -7.912 19.369 1.00 14.23 C ATOM 2778 O HIS B 62 5.216 -8.991 19.967 1.00 14.53 O ATOM 2779 CB HIS B 62 6.953 -7.978 17.429 1.00 33.32 C ATOM 2780 CG HIS B 62 7.632 -9.257 17.879 1.00 14.25 C ATOM 2781 ND1 HIS B 62 7.078 -10.506 17.699 1.00 11.41 N ATOM 2782 CD2 HIS B 62 8.817 -9.474 18.507 1.00 43.51 C ATOM 2783 CE1 HIS B 62 7.888 -11.422 18.190 1.00 1.54 C ATOM 2784 NE2 HIS B 62 8.949 -10.823 18.685 1.00 15.42 N ATOM 0 H HIS B 62 5.520 -5.904 17.037 1.00 4.21 H new ATOM 0 HA HIS B 62 4.942 -8.727 17.421 1.00 34.42 H new ATOM 0 HB2 HIS B 62 7.027 -7.905 16.344 1.00 33.32 H new ATOM 0 HB3 HIS B 62 7.495 -7.128 17.843 1.00 33.32 H new ATOM 0 HD2 HIS B 62 9.526 -8.718 18.811 1.00 43.51 H new ATOM 0 HE1 HIS B 62 7.710 -12.487 18.187 1.00 1.54 H new ATOM 0 HE2 HIS B 62 9.741 -11.289 19.129 1.00 15.42 H new ATOM 2793 N GLN B 63 5.226 -6.720 19.986 1.00 32.12 N ATOM 2794 CA GLN B 63 4.974 -6.560 21.430 1.00 34.51 C ATOM 2795 C GLN B 63 3.478 -6.737 21.735 1.00 13.35 C ATOM 2796 O GLN B 63 3.104 -7.274 22.778 1.00 12.32 O ATOM 2797 CB GLN B 63 5.465 -5.160 21.911 1.00 21.43 C ATOM 2798 CG GLN B 63 6.988 -4.929 21.796 1.00 74.30 C ATOM 2799 CD GLN B 63 7.810 -5.933 22.600 1.00 10.25 C ATOM 2800 OE1 GLN B 63 8.143 -5.701 23.764 1.00 12.34 O ATOM 2801 NE2 GLN B 63 8.127 -7.065 21.992 1.00 23.54 N ATOM 0 H GLN B 63 5.346 -5.834 19.494 1.00 32.12 H new ATOM 0 HA GLN B 63 5.530 -7.328 21.968 1.00 34.51 H new ATOM 0 HB2 GLN B 63 4.951 -4.393 21.332 1.00 21.43 H new ATOM 0 HB3 GLN B 63 5.170 -5.025 22.952 1.00 21.43 H new ATOM 0 HG2 GLN B 63 7.280 -4.987 20.747 1.00 74.30 H new ATOM 0 HG3 GLN B 63 7.223 -3.921 22.137 1.00 74.30 H new ATOM 0 HE21 GLN B 63 7.835 -7.225 21.028 1.00 23.54 H new ATOM 0 HE22 GLN B 63 8.663 -7.777 22.488 1.00 23.54 H new ATOM 2810 N HIS B 64 2.633 -6.244 20.813 1.00 62.43 N ATOM 2811 CA HIS B 64 1.162 -6.307 20.911 1.00 61.54 C ATOM 2812 C HIS B 64 0.605 -6.691 19.520 1.00 23.14 C ATOM 2813 O HIS B 64 0.427 -5.809 18.667 1.00 74.42 O ATOM 2814 CB HIS B 64 0.567 -4.941 21.384 1.00 34.03 C ATOM 2815 CG HIS B 64 0.951 -4.532 22.791 1.00 72.32 C ATOM 2816 ND1 HIS B 64 0.099 -4.640 23.868 1.00 34.25 N ATOM 2817 CD2 HIS B 64 2.096 -4.004 23.288 1.00 22.20 C ATOM 2818 CE1 HIS B 64 0.700 -4.199 24.954 1.00 1.31 C ATOM 2819 NE2 HIS B 64 1.913 -3.811 24.631 1.00 32.31 N ATOM 0 H HIS B 64 2.958 -5.782 19.963 1.00 62.43 H new ATOM 0 HA HIS B 64 0.876 -7.054 21.652 1.00 61.54 H new ATOM 0 HB2 HIS B 64 0.890 -4.162 20.694 1.00 34.03 H new ATOM 0 HB3 HIS B 64 -0.520 -4.993 21.320 1.00 34.03 H new ATOM 0 HD2 HIS B 64 2.990 -3.777 22.727 1.00 22.20 H new ATOM 0 HE1 HIS B 64 0.268 -4.163 25.943 1.00 1.31 H new ATOM 0 HE2 HIS B 64 2.605 -3.429 25.275 1.00 32.31 H new ATOM 2828 N PRO B 65 0.386 -8.027 19.245 1.00 60.42 N ATOM 2829 CA PRO B 65 -0.137 -8.520 17.935 1.00 72.43 C ATOM 2830 C PRO B 65 -1.497 -7.910 17.566 1.00 3.22 C ATOM 2831 O PRO B 65 -1.756 -7.610 16.391 1.00 0.31 O ATOM 2832 CB PRO B 65 -0.239 -10.063 18.127 1.00 15.21 C ATOM 2833 CG PRO B 65 -0.194 -10.278 19.615 1.00 42.15 C ATOM 2834 CD PRO B 65 0.660 -9.162 20.171 1.00 61.43 C ATOM 0 HA PRO B 65 0.516 -8.234 17.110 1.00 72.43 H new ATOM 0 HB2 PRO B 65 -1.163 -10.453 17.700 1.00 15.21 H new ATOM 0 HB3 PRO B 65 0.583 -10.577 17.630 1.00 15.21 H new ATOM 0 HG2 PRO B 65 -1.196 -10.253 20.043 1.00 42.15 H new ATOM 0 HG3 PRO B 65 0.232 -11.252 19.856 1.00 42.15 H new ATOM 0 HD2 PRO B 65 0.386 -8.919 21.198 1.00 61.43 H new ATOM 0 HD3 PRO B 65 1.717 -9.429 20.178 1.00 61.43 H new ATOM 2842 N GLY B 66 -2.349 -7.730 18.592 1.00 53.13 N ATOM 2843 CA GLY B 66 -3.692 -7.204 18.411 1.00 22.20 C ATOM 2844 C GLY B 66 -4.615 -8.208 17.723 1.00 23.41 C ATOM 2845 O GLY B 66 -5.238 -9.042 18.390 1.00 13.24 O ATOM 0 H GLY B 66 -2.116 -7.947 19.561 1.00 53.13 H new ATOM 0 HA2 GLY B 66 -4.109 -6.935 19.381 1.00 22.20 H new ATOM 0 HA3 GLY B 66 -3.646 -6.290 17.819 1.00 22.20 H new ATOM 2849 N GLY B 67 -4.688 -8.135 16.377 1.00 60.45 N ATOM 2850 CA GLY B 67 -5.545 -9.023 15.575 1.00 33.32 C ATOM 2851 C GLY B 67 -6.982 -8.512 15.487 1.00 60.02 C ATOM 2852 O GLY B 67 -7.543 -8.386 14.389 1.00 3.20 O ATOM 0 H GLY B 67 -4.157 -7.463 15.823 1.00 60.45 H new ATOM 0 HA2 GLY B 67 -5.131 -9.115 14.571 1.00 33.32 H new ATOM 0 HA3 GLY B 67 -5.542 -10.021 16.013 1.00 33.32 H new ATOM 2856 N SER B 68 -7.573 -8.222 16.658 1.00 11.32 N ATOM 2857 CA SER B 68 -8.927 -7.662 16.782 1.00 60.24 C ATOM 2858 C SER B 68 -8.925 -6.138 16.522 1.00 62.33 C ATOM 2859 O SER B 68 -7.869 -5.536 16.255 1.00 13.33 O ATOM 2860 CB SER B 68 -9.455 -7.981 18.201 1.00 14.45 C ATOM 2861 OG SER B 68 -8.553 -7.517 19.197 1.00 21.34 O ATOM 0 H SER B 68 -7.116 -8.373 17.557 1.00 11.32 H new ATOM 0 HA SER B 68 -9.581 -8.111 16.034 1.00 60.24 H new ATOM 0 HB2 SER B 68 -10.430 -7.515 18.343 1.00 14.45 H new ATOM 0 HB3 SER B 68 -9.597 -9.057 18.307 1.00 14.45 H new ATOM 0 HG SER B 68 -8.909 -7.729 20.085 1.00 21.34 H new ATOM 2867 N GLY B 69 -10.119 -5.528 16.581 1.00 64.00 N ATOM 2868 CA GLY B 69 -10.266 -4.077 16.478 1.00 64.41 C ATOM 2869 C GLY B 69 -10.042 -3.397 17.824 1.00 14.50 C ATOM 2870 O GLY B 69 -11.003 -3.184 18.579 1.00 42.33 O ATOM 0 H GLY B 69 -11.001 -6.027 16.701 1.00 64.00 H new ATOM 0 HA2 GLY B 69 -9.554 -3.689 15.750 1.00 64.41 H new ATOM 0 HA3 GLY B 69 -11.263 -3.836 16.109 1.00 64.41 H new ATOM 2874 N LEU B 70 -8.761 -3.091 18.133 1.00 23.01 N ATOM 2875 CA LEU B 70 -8.356 -2.399 19.378 1.00 23.12 C ATOM 2876 C LEU B 70 -8.971 -0.987 19.416 1.00 70.33 C ATOM 2877 O LEU B 70 -8.435 -0.044 18.818 1.00 74.14 O ATOM 2878 CB LEU B 70 -6.793 -2.332 19.518 1.00 25.13 C ATOM 2879 CG LEU B 70 -6.053 -3.641 19.981 1.00 53.54 C ATOM 2880 CD1 LEU B 70 -6.336 -4.836 19.053 1.00 3.21 C ATOM 2881 CD2 LEU B 70 -4.529 -3.401 20.125 1.00 51.11 C ATOM 0 H LEU B 70 -7.976 -3.318 17.523 1.00 23.01 H new ATOM 0 HA LEU B 70 -8.732 -2.972 20.225 1.00 23.12 H new ATOM 0 HB2 LEU B 70 -6.380 -2.034 18.554 1.00 25.13 H new ATOM 0 HB3 LEU B 70 -6.551 -1.540 20.226 1.00 25.13 H new ATOM 0 HG LEU B 70 -6.454 -3.898 20.961 1.00 53.54 H new ATOM 0 HD11 LEU B 70 -5.802 -5.714 19.417 1.00 3.21 H new ATOM 0 HD12 LEU B 70 -7.406 -5.042 19.041 1.00 3.21 H new ATOM 0 HD13 LEU B 70 -6.000 -4.600 18.043 1.00 3.21 H new ATOM 0 HD21 LEU B 70 -4.044 -4.323 20.446 1.00 51.11 H new ATOM 0 HD22 LEU B 70 -4.117 -3.090 19.165 1.00 51.11 H new ATOM 0 HD23 LEU B 70 -4.352 -2.621 20.866 1.00 51.11 H new ATOM 2893 N ASP B 71 -10.141 -0.875 20.075 1.00 61.24 N ATOM 2894 CA ASP B 71 -10.854 0.402 20.257 1.00 10.13 C ATOM 2895 C ASP B 71 -10.218 1.177 21.433 1.00 63.30 C ATOM 2896 O ASP B 71 -10.764 1.243 22.544 1.00 1.20 O ATOM 2897 CB ASP B 71 -12.379 0.156 20.472 1.00 15.43 C ATOM 2898 CG ASP B 71 -13.202 1.456 20.608 1.00 21.40 C ATOM 2899 OD1 ASP B 71 -13.753 1.730 21.703 1.00 43.41 O ATOM 2900 OD2 ASP B 71 -13.287 2.216 19.624 1.00 52.24 O ATOM 0 H ASP B 71 -10.619 -1.671 20.497 1.00 61.24 H new ATOM 0 HA ASP B 71 -10.758 1.009 19.357 1.00 10.13 H new ATOM 0 HB2 ASP B 71 -12.767 -0.424 19.634 1.00 15.43 H new ATOM 0 HB3 ASP B 71 -12.518 -0.448 21.369 1.00 15.43 H new ATOM 2905 N ASP B 72 -9.012 1.692 21.165 1.00 71.12 N ATOM 2906 CA ASP B 72 -8.179 2.416 22.132 1.00 22.11 C ATOM 2907 C ASP B 72 -6.985 3.015 21.377 1.00 73.22 C ATOM 2908 O ASP B 72 -6.190 2.269 20.789 1.00 0.24 O ATOM 2909 CB ASP B 72 -7.686 1.467 23.260 1.00 12.11 C ATOM 2910 CG ASP B 72 -6.776 2.163 24.285 1.00 44.34 C ATOM 2911 OD1 ASP B 72 -7.255 3.084 24.984 1.00 25.44 O ATOM 2912 OD2 ASP B 72 -5.589 1.790 24.413 1.00 11.53 O ATOM 0 H ASP B 72 -8.577 1.614 20.245 1.00 71.12 H new ATOM 0 HA ASP B 72 -8.763 3.206 22.603 1.00 22.11 H new ATOM 0 HB2 ASP B 72 -8.550 1.048 23.776 1.00 12.11 H new ATOM 0 HB3 ASP B 72 -7.146 0.632 22.813 1.00 12.11 H new ATOM 2917 N ILE B 73 -6.894 4.357 21.362 1.00 14.20 N ATOM 2918 CA ILE B 73 -5.798 5.089 20.698 1.00 54.14 C ATOM 2919 C ILE B 73 -4.598 5.186 21.668 1.00 23.44 C ATOM 2920 O ILE B 73 -4.703 5.857 22.704 1.00 11.53 O ATOM 2921 CB ILE B 73 -6.251 6.539 20.251 1.00 71.41 C ATOM 2922 CG1 ILE B 73 -7.498 6.449 19.307 1.00 35.02 C ATOM 2923 CG2 ILE B 73 -5.082 7.315 19.571 1.00 71.03 C ATOM 2924 CD1 ILE B 73 -8.102 7.786 18.899 1.00 33.52 C ATOM 0 H ILE B 73 -7.579 4.966 21.810 1.00 14.20 H new ATOM 0 HA ILE B 73 -5.512 4.543 19.799 1.00 54.14 H new ATOM 0 HB ILE B 73 -6.534 7.099 21.142 1.00 71.41 H new ATOM 0 HG12 ILE B 73 -7.212 5.908 18.405 1.00 35.02 H new ATOM 0 HG13 ILE B 73 -8.267 5.858 19.804 1.00 35.02 H new ATOM 0 HG21 ILE B 73 -5.426 8.306 19.276 1.00 71.03 H new ATOM 0 HG22 ILE B 73 -4.253 7.412 20.272 1.00 71.03 H new ATOM 0 HG23 ILE B 73 -4.748 6.770 18.688 1.00 71.03 H new ATOM 0 HD11 ILE B 73 -8.958 7.615 18.247 1.00 33.52 H new ATOM 0 HD12 ILE B 73 -8.426 8.326 19.789 1.00 33.52 H new ATOM 0 HD13 ILE B 73 -7.355 8.376 18.369 1.00 33.52 H new ATOM 2936 N PRO B 74 -3.454 4.488 21.381 1.00 21.11 N ATOM 2937 CA PRO B 74 -2.247 4.559 22.227 1.00 71.22 C ATOM 2938 C PRO B 74 -1.464 5.879 21.976 1.00 71.42 C ATOM 2939 O PRO B 74 -1.227 6.230 20.811 1.00 5.21 O ATOM 2940 CB PRO B 74 -1.427 3.298 21.806 1.00 3.31 C ATOM 2941 CG PRO B 74 -2.299 2.541 20.831 1.00 72.42 C ATOM 2942 CD PRO B 74 -3.229 3.567 20.234 1.00 52.22 C ATOM 0 HA PRO B 74 -2.471 4.566 23.294 1.00 71.22 H new ATOM 0 HB2 PRO B 74 -0.482 3.583 21.344 1.00 3.31 H new ATOM 0 HB3 PRO B 74 -1.185 2.683 22.673 1.00 3.31 H new ATOM 0 HG2 PRO B 74 -1.698 2.061 20.059 1.00 72.42 H new ATOM 0 HG3 PRO B 74 -2.858 1.753 21.336 1.00 72.42 H new ATOM 0 HD2 PRO B 74 -2.779 4.078 19.383 1.00 52.22 H new ATOM 0 HD3 PRO B 74 -4.158 3.119 19.882 1.00 52.22 H new ATOM 2950 N PRO B 75 -1.078 6.639 23.062 1.00 53.21 N ATOM 2951 CA PRO B 75 -0.265 7.889 22.955 1.00 72.14 C ATOM 2952 C PRO B 75 0.986 7.741 22.065 1.00 65.31 C ATOM 2953 O PRO B 75 1.309 8.640 21.291 1.00 55.51 O ATOM 2954 CB PRO B 75 0.128 8.173 24.425 1.00 44.41 C ATOM 2955 CG PRO B 75 -1.011 7.614 25.224 1.00 40.02 C ATOM 2956 CD PRO B 75 -1.444 6.362 24.485 1.00 11.02 C ATOM 0 HA PRO B 75 -0.825 8.693 22.478 1.00 72.14 H new ATOM 0 HB2 PRO B 75 1.071 7.692 24.685 1.00 44.41 H new ATOM 0 HB3 PRO B 75 0.254 9.241 24.604 1.00 44.41 H new ATOM 0 HG2 PRO B 75 -0.700 7.381 26.242 1.00 40.02 H new ATOM 0 HG3 PRO B 75 -1.829 8.330 25.296 1.00 40.02 H new ATOM 0 HD2 PRO B 75 -0.932 5.477 24.864 1.00 11.02 H new ATOM 0 HD3 PRO B 75 -2.514 6.183 24.595 1.00 11.02 H new ATOM 2964 N TYR B 76 1.653 6.574 22.175 1.00 45.14 N ATOM 2965 CA TYR B 76 2.853 6.238 21.383 1.00 14.33 C ATOM 2966 C TYR B 76 2.570 6.299 19.867 1.00 62.43 C ATOM 2967 O TYR B 76 3.255 7.008 19.132 1.00 54.14 O ATOM 2968 CB TYR B 76 3.385 4.833 21.791 1.00 42.20 C ATOM 2969 CG TYR B 76 4.467 4.252 20.856 1.00 34.44 C ATOM 2970 CD1 TYR B 76 5.753 4.796 20.814 1.00 14.53 C ATOM 2971 CD2 TYR B 76 4.192 3.173 20.001 1.00 32.31 C ATOM 2972 CE1 TYR B 76 6.716 4.289 19.958 1.00 32.40 C ATOM 2973 CE2 TYR B 76 5.153 2.664 19.152 1.00 53.10 C ATOM 2974 CZ TYR B 76 6.408 3.226 19.130 1.00 41.35 C ATOM 2975 OH TYR B 76 7.364 2.725 18.276 1.00 63.32 O ATOM 0 H TYR B 76 1.372 5.835 22.819 1.00 45.14 H new ATOM 0 HA TYR B 76 3.620 6.982 21.598 1.00 14.33 H new ATOM 0 HB2 TYR B 76 3.792 4.894 22.800 1.00 42.20 H new ATOM 0 HB3 TYR B 76 2.545 4.139 21.827 1.00 42.20 H new ATOM 0 HD1 TYR B 76 6.000 5.626 21.460 1.00 14.53 H new ATOM 0 HD2 TYR B 76 3.206 2.732 20.008 1.00 32.31 H new ATOM 0 HE1 TYR B 76 7.705 4.723 19.937 1.00 32.40 H new ATOM 0 HE2 TYR B 76 4.921 1.829 18.508 1.00 53.10 H new ATOM 0 HH TYR B 76 7.102 1.828 17.982 1.00 63.32 H new ATOM 2985 N ASP B 77 1.547 5.555 19.425 1.00 32.20 N ATOM 2986 CA ASP B 77 1.195 5.423 17.993 1.00 43.11 C ATOM 2987 C ASP B 77 0.643 6.741 17.423 1.00 62.41 C ATOM 2988 O ASP B 77 0.772 7.010 16.222 1.00 52.34 O ATOM 2989 CB ASP B 77 0.194 4.258 17.795 1.00 11.10 C ATOM 2990 CG ASP B 77 0.781 2.908 18.253 1.00 32.14 C ATOM 2991 OD1 ASP B 77 1.185 2.087 17.395 1.00 11.41 O ATOM 2992 OD2 ASP B 77 0.865 2.679 19.486 1.00 63.13 O ATOM 0 H ASP B 77 0.936 5.025 20.046 1.00 32.20 H new ATOM 0 HA ASP B 77 2.104 5.194 17.437 1.00 43.11 H new ATOM 0 HB2 ASP B 77 -0.718 4.465 18.354 1.00 11.10 H new ATOM 0 HB3 ASP B 77 -0.084 4.194 16.743 1.00 11.10 H new ATOM 2997 N ARG B 78 0.034 7.558 18.300 1.00 73.31 N ATOM 2998 CA ARG B 78 -0.434 8.908 17.947 1.00 2.11 C ATOM 2999 C ARG B 78 0.770 9.829 17.647 1.00 72.13 C ATOM 3000 O ARG B 78 0.812 10.485 16.599 1.00 61.42 O ATOM 3001 CB ARG B 78 -1.307 9.484 19.095 1.00 34.11 C ATOM 3002 CG ARG B 78 -1.870 10.895 18.819 1.00 73.32 C ATOM 3003 CD ARG B 78 -2.705 11.446 19.990 1.00 40.32 C ATOM 3004 NE ARG B 78 -3.137 12.835 19.738 1.00 52.24 N ATOM 3005 CZ ARG B 78 -2.704 13.929 20.392 1.00 31.13 C ATOM 3006 NH1 ARG B 78 -1.802 13.839 21.365 1.00 45.52 N ATOM 3007 NH2 ARG B 78 -3.166 15.122 20.041 1.00 45.21 N ATOM 0 H ARG B 78 -0.147 7.301 19.270 1.00 73.31 H new ATOM 0 HA ARG B 78 -1.047 8.851 17.048 1.00 2.11 H new ATOM 0 HB2 ARG B 78 -2.138 8.804 19.280 1.00 34.11 H new ATOM 0 HB3 ARG B 78 -0.712 9.515 20.008 1.00 34.11 H new ATOM 0 HG2 ARG B 78 -1.044 11.577 18.616 1.00 73.32 H new ATOM 0 HG3 ARG B 78 -2.487 10.865 17.921 1.00 73.32 H new ATOM 0 HD2 ARG B 78 -3.579 10.814 20.144 1.00 40.32 H new ATOM 0 HD3 ARG B 78 -2.118 11.407 20.907 1.00 40.32 H new ATOM 0 HE ARG B 78 -3.827 12.979 19.001 1.00 52.24 H new ATOM 0 HH11 ARG B 78 -1.425 12.929 21.628 1.00 45.52 H new ATOM 0 HH12 ARG B 78 -1.487 14.680 21.848 1.00 45.52 H new ATOM 0 HH21 ARG B 78 -3.843 15.204 19.282 1.00 45.21 H new ATOM 0 HH22 ARG B 78 -2.845 15.957 20.530 1.00 45.21 H new ATOM 3021 N ASP B 79 1.760 9.831 18.566 1.00 2.20 N ATOM 3022 CA ASP B 79 3.015 10.606 18.416 1.00 50.10 C ATOM 3023 C ASP B 79 3.885 10.053 17.271 1.00 71.52 C ATOM 3024 O ASP B 79 4.715 10.772 16.717 1.00 23.11 O ATOM 3025 CB ASP B 79 3.826 10.637 19.746 1.00 62.21 C ATOM 3026 CG ASP B 79 3.233 11.596 20.798 1.00 50.43 C ATOM 3027 OD1 ASP B 79 2.527 11.143 21.718 1.00 74.14 O ATOM 3028 OD2 ASP B 79 3.472 12.822 20.694 1.00 3.33 O ATOM 0 H ASP B 79 1.713 9.296 19.433 1.00 2.20 H new ATOM 0 HA ASP B 79 2.732 11.628 18.165 1.00 50.10 H new ATOM 0 HB2 ASP B 79 3.866 9.631 20.163 1.00 62.21 H new ATOM 0 HB3 ASP B 79 4.853 10.934 19.531 1.00 62.21 H new ATOM 3033 N PHE B 80 3.688 8.764 16.942 1.00 0.11 N ATOM 3034 CA PHE B 80 4.371 8.092 15.825 1.00 3.13 C ATOM 3035 C PHE B 80 3.968 8.736 14.483 1.00 4.15 C ATOM 3036 O PHE B 80 4.821 9.019 13.631 1.00 41.13 O ATOM 3037 CB PHE B 80 4.034 6.574 15.836 1.00 31.44 C ATOM 3038 CG PHE B 80 4.618 5.800 14.665 1.00 64.02 C ATOM 3039 CD1 PHE B 80 5.957 5.435 14.666 1.00 75.32 C ATOM 3040 CD2 PHE B 80 3.838 5.467 13.550 1.00 70.53 C ATOM 3041 CE1 PHE B 80 6.497 4.766 13.600 1.00 32.12 C ATOM 3042 CE2 PHE B 80 4.386 4.792 12.480 1.00 53.45 C ATOM 3043 CZ PHE B 80 5.719 4.446 12.504 1.00 34.31 C ATOM 0 H PHE B 80 3.045 8.156 17.449 1.00 0.11 H new ATOM 0 HA PHE B 80 5.448 8.209 15.944 1.00 3.13 H new ATOM 0 HB2 PHE B 80 4.401 6.138 16.765 1.00 31.44 H new ATOM 0 HB3 PHE B 80 2.951 6.453 15.833 1.00 31.44 H new ATOM 0 HD1 PHE B 80 6.578 5.681 15.515 1.00 75.32 H new ATOM 0 HD2 PHE B 80 2.794 5.743 13.528 1.00 70.53 H new ATOM 0 HE1 PHE B 80 7.540 4.486 13.616 1.00 32.12 H new ATOM 0 HE2 PHE B 80 3.774 4.536 11.628 1.00 53.45 H new ATOM 0 HZ PHE B 80 6.156 3.924 11.666 1.00 34.31 H new ATOM 3053 N CYS B 81 2.653 8.965 14.331 1.00 73.42 N ATOM 3054 CA CYS B 81 2.063 9.561 13.124 1.00 33.41 C ATOM 3055 C CYS B 81 2.360 11.077 13.030 1.00 21.41 C ATOM 3056 O CYS B 81 2.151 11.683 11.971 1.00 62.15 O ATOM 3057 CB CYS B 81 0.543 9.297 13.118 1.00 13.52 C ATOM 3058 SG CYS B 81 0.108 7.543 13.205 1.00 24.21 S ATOM 0 H CYS B 81 1.965 8.739 15.049 1.00 73.42 H new ATOM 0 HA CYS B 81 2.516 9.095 12.249 1.00 33.41 H new ATOM 0 HB2 CYS B 81 0.090 9.817 13.962 1.00 13.52 H new ATOM 0 HB3 CYS B 81 0.113 9.724 12.212 1.00 13.52 H new ATOM 0 HG CYS B 81 0.317 7.103 14.411 1.00 24.21 H new ATOM 3064 N LYS B 82 2.847 11.684 14.146 1.00 5.04 N ATOM 3065 CA LYS B 82 3.231 13.108 14.181 1.00 13.51 C ATOM 3066 C LYS B 82 4.611 13.300 13.530 1.00 32.13 C ATOM 3067 O LYS B 82 5.647 13.282 14.208 1.00 3.45 O ATOM 3068 CB LYS B 82 3.224 13.669 15.633 1.00 51.35 C ATOM 3069 CG LYS B 82 1.851 13.619 16.327 1.00 52.42 C ATOM 3070 CD LYS B 82 0.753 14.364 15.537 1.00 34.44 C ATOM 3071 CE LYS B 82 -0.614 14.284 16.223 1.00 14.10 C ATOM 3072 NZ LYS B 82 -0.617 14.923 17.562 1.00 73.44 N ATOM 0 H LYS B 82 2.981 11.200 15.034 1.00 5.04 H new ATOM 0 HA LYS B 82 2.490 13.670 13.612 1.00 13.51 H new ATOM 0 HB2 LYS B 82 3.940 13.106 16.231 1.00 51.35 H new ATOM 0 HB3 LYS B 82 3.570 14.703 15.612 1.00 51.35 H new ATOM 0 HG2 LYS B 82 1.554 12.579 16.460 1.00 52.42 H new ATOM 0 HG3 LYS B 82 1.936 14.056 17.322 1.00 52.42 H new ATOM 0 HD2 LYS B 82 1.038 15.410 15.421 1.00 34.44 H new ATOM 0 HD3 LYS B 82 0.679 13.941 14.535 1.00 34.44 H new ATOM 0 HE2 LYS B 82 -1.362 14.765 15.593 1.00 14.10 H new ATOM 0 HE3 LYS B 82 -0.906 13.239 16.322 1.00 14.10 H new ATOM 0 HZ1 LYS B 82 -1.586 14.932 17.940 1.00 73.44 H new ATOM 0 HZ2 LYS B 82 0.000 14.386 18.204 1.00 73.44 H new ATOM 0 HZ3 LYS B 82 -0.267 15.899 17.482 1.00 73.44 H new ATOM 3086 N VAL B 83 4.603 13.403 12.195 1.00 61.13 N ATOM 3087 CA VAL B 83 5.795 13.693 11.370 1.00 71.41 C ATOM 3088 C VAL B 83 5.446 14.804 10.354 1.00 70.30 C ATOM 3089 O VAL B 83 4.272 15.165 10.202 1.00 40.03 O ATOM 3090 CB VAL B 83 6.316 12.394 10.628 1.00 40.53 C ATOM 3091 CG1 VAL B 83 6.813 11.315 11.624 1.00 23.44 C ATOM 3092 CG2 VAL B 83 5.245 11.804 9.684 1.00 32.33 C ATOM 0 H VAL B 83 3.754 13.286 11.642 1.00 61.13 H new ATOM 0 HA VAL B 83 6.601 14.034 12.020 1.00 71.41 H new ATOM 0 HB VAL B 83 7.166 12.707 10.022 1.00 40.53 H new ATOM 0 HG11 VAL B 83 7.161 10.442 11.071 1.00 23.44 H new ATOM 0 HG12 VAL B 83 7.633 11.719 12.218 1.00 23.44 H new ATOM 0 HG13 VAL B 83 5.995 11.024 12.284 1.00 23.44 H new ATOM 0 HG21 VAL B 83 5.642 10.915 9.194 1.00 32.33 H new ATOM 0 HG22 VAL B 83 4.359 11.536 10.260 1.00 32.33 H new ATOM 0 HG23 VAL B 83 4.977 12.544 8.930 1.00 32.33 H new ATOM 3102 N ASP B 84 6.469 15.341 9.662 1.00 63.33 N ATOM 3103 CA ASP B 84 6.294 16.449 8.689 1.00 65.14 C ATOM 3104 C ASP B 84 5.696 15.900 7.364 1.00 15.23 C ATOM 3105 O ASP B 84 5.641 14.678 7.183 1.00 62.11 O ATOM 3106 CB ASP B 84 7.665 17.162 8.455 1.00 55.55 C ATOM 3107 CG ASP B 84 7.508 18.632 8.007 1.00 54.32 C ATOM 3108 OD1 ASP B 84 7.482 18.908 6.790 1.00 51.45 O ATOM 3109 OD2 ASP B 84 7.372 19.519 8.883 1.00 62.32 O ATOM 0 H ASP B 84 7.434 15.026 9.757 1.00 63.33 H new ATOM 0 HA ASP B 84 5.595 17.185 9.086 1.00 65.14 H new ATOM 0 HB2 ASP B 84 8.248 17.128 9.375 1.00 55.55 H new ATOM 0 HB3 ASP B 84 8.229 16.615 7.699 1.00 55.55 H new ATOM 3114 N GLN B 85 5.279 16.802 6.441 1.00 63.44 N ATOM 3115 CA GLN B 85 4.537 16.424 5.208 1.00 21.34 C ATOM 3116 C GLN B 85 5.335 15.468 4.266 1.00 4.24 C ATOM 3117 O GLN B 85 4.796 14.413 3.907 1.00 54.05 O ATOM 3118 CB GLN B 85 4.010 17.685 4.438 1.00 43.03 C ATOM 3119 CG GLN B 85 3.257 17.394 3.107 1.00 12.32 C ATOM 3120 CD GLN B 85 1.952 16.585 3.250 1.00 75.01 C ATOM 3121 OE1 GLN B 85 1.769 15.806 4.179 1.00 53.34 O ATOM 3122 NE2 GLN B 85 1.054 16.719 2.287 1.00 3.44 N ATOM 0 H GLN B 85 5.445 17.805 6.527 1.00 63.44 H new ATOM 0 HA GLN B 85 3.673 15.853 5.548 1.00 21.34 H new ATOM 0 HB2 GLN B 85 3.343 18.239 5.098 1.00 43.03 H new ATOM 0 HB3 GLN B 85 4.857 18.336 4.221 1.00 43.03 H new ATOM 0 HG2 GLN B 85 3.025 18.344 2.625 1.00 12.32 H new ATOM 0 HG3 GLN B 85 3.929 16.854 2.440 1.00 12.32 H new ATOM 0 HE21 GLN B 85 1.221 17.371 1.521 1.00 3.44 H new ATOM 0 HE22 GLN B 85 0.195 16.170 2.311 1.00 3.44 H new ATOM 3131 N PRO B 86 6.621 15.778 3.842 1.00 60.25 N ATOM 3132 CA PRO B 86 7.427 14.834 3.016 1.00 30.13 C ATOM 3133 C PRO B 86 7.664 13.499 3.748 1.00 43.12 C ATOM 3134 O PRO B 86 7.636 12.438 3.128 1.00 32.45 O ATOM 3135 CB PRO B 86 8.761 15.593 2.766 1.00 55.20 C ATOM 3136 CG PRO B 86 8.819 16.608 3.869 1.00 50.44 C ATOM 3137 CD PRO B 86 7.387 17.031 4.090 1.00 45.22 C ATOM 0 HA PRO B 86 6.924 14.562 2.088 1.00 30.13 H new ATOM 0 HB2 PRO B 86 9.616 14.918 2.801 1.00 55.20 H new ATOM 0 HB3 PRO B 86 8.771 16.069 1.786 1.00 55.20 H new ATOM 0 HG2 PRO B 86 9.248 16.181 4.775 1.00 50.44 H new ATOM 0 HG3 PRO B 86 9.443 17.458 3.591 1.00 50.44 H new ATOM 0 HD2 PRO B 86 7.229 17.406 5.101 1.00 45.22 H new ATOM 0 HD3 PRO B 86 7.092 17.826 3.405 1.00 45.22 H new ATOM 3145 N THR B 87 7.837 13.588 5.086 1.00 10.20 N ATOM 3146 CA THR B 87 8.121 12.442 5.964 1.00 64.35 C ATOM 3147 C THR B 87 6.914 11.473 6.038 1.00 73.24 C ATOM 3148 O THR B 87 7.095 10.259 6.185 1.00 33.32 O ATOM 3149 CB THR B 87 8.507 12.962 7.388 1.00 34.44 C ATOM 3150 OG1 THR B 87 9.495 14.002 7.269 1.00 40.11 O ATOM 3151 CG2 THR B 87 9.061 11.853 8.299 1.00 3.25 C ATOM 0 H THR B 87 7.781 14.474 5.589 1.00 10.20 H new ATOM 0 HA THR B 87 8.958 11.881 5.547 1.00 64.35 H new ATOM 0 HB THR B 87 7.593 13.340 7.846 1.00 34.44 H new ATOM 0 HG1 THR B 87 9.735 14.329 8.161 1.00 40.11 H new ATOM 0 HG21 THR B 87 9.311 12.273 9.273 1.00 3.25 H new ATOM 0 HG22 THR B 87 8.309 11.074 8.422 1.00 3.25 H new ATOM 0 HG23 THR B 87 9.956 11.425 7.848 1.00 3.25 H new ATOM 3159 N LEU B 88 5.688 12.036 5.927 1.00 11.32 N ATOM 3160 CA LEU B 88 4.429 11.263 5.811 1.00 31.30 C ATOM 3161 C LEU B 88 4.472 10.373 4.557 1.00 43.50 C ATOM 3162 O LEU B 88 4.218 9.168 4.630 1.00 24.04 O ATOM 3163 CB LEU B 88 3.204 12.232 5.758 1.00 71.02 C ATOM 3164 CG LEU B 88 2.722 12.820 7.125 1.00 12.43 C ATOM 3165 CD1 LEU B 88 1.741 13.996 6.931 1.00 72.21 C ATOM 3166 CD2 LEU B 88 2.082 11.717 7.996 1.00 2.45 C ATOM 0 H LEU B 88 5.544 13.046 5.915 1.00 11.32 H new ATOM 0 HA LEU B 88 4.323 10.623 6.687 1.00 31.30 H new ATOM 0 HB2 LEU B 88 3.454 13.063 5.098 1.00 71.02 H new ATOM 0 HB3 LEU B 88 2.369 11.702 5.301 1.00 71.02 H new ATOM 0 HG LEU B 88 3.600 13.209 7.641 1.00 12.43 H new ATOM 0 HD11 LEU B 88 1.431 14.375 7.905 1.00 72.21 H new ATOM 0 HD12 LEU B 88 2.233 14.792 6.372 1.00 72.21 H new ATOM 0 HD13 LEU B 88 0.866 13.653 6.380 1.00 72.21 H new ATOM 0 HD21 LEU B 88 1.753 12.146 8.943 1.00 2.45 H new ATOM 0 HD22 LEU B 88 1.225 11.292 7.473 1.00 2.45 H new ATOM 0 HD23 LEU B 88 2.815 10.934 8.188 1.00 2.45 H new ATOM 3178 N PHE B 89 4.842 10.990 3.418 1.00 72.12 N ATOM 3179 CA PHE B 89 4.969 10.294 2.121 1.00 53.42 C ATOM 3180 C PHE B 89 6.109 9.270 2.135 1.00 23.42 C ATOM 3181 O PHE B 89 6.025 8.255 1.455 1.00 33.03 O ATOM 3182 CB PHE B 89 5.180 11.304 0.972 1.00 55.23 C ATOM 3183 CG PHE B 89 3.978 12.209 0.720 1.00 51.31 C ATOM 3184 CD1 PHE B 89 4.020 13.576 0.997 1.00 22.32 C ATOM 3185 CD2 PHE B 89 2.803 11.684 0.200 1.00 33.10 C ATOM 3186 CE1 PHE B 89 2.932 14.381 0.753 1.00 74.10 C ATOM 3187 CE2 PHE B 89 1.716 12.491 -0.039 1.00 32.41 C ATOM 3188 CZ PHE B 89 1.779 13.841 0.239 1.00 2.14 C ATOM 0 H PHE B 89 5.061 11.985 3.370 1.00 72.12 H new ATOM 0 HA PHE B 89 4.035 9.757 1.953 1.00 53.42 H new ATOM 0 HB2 PHE B 89 6.048 11.923 1.200 1.00 55.23 H new ATOM 0 HB3 PHE B 89 5.409 10.757 0.057 1.00 55.23 H new ATOM 0 HD1 PHE B 89 4.920 14.008 1.409 1.00 22.32 H new ATOM 0 HD2 PHE B 89 2.742 10.628 -0.020 1.00 33.10 H new ATOM 0 HE1 PHE B 89 2.985 15.439 0.966 1.00 74.10 H new ATOM 0 HE2 PHE B 89 0.810 12.067 -0.446 1.00 32.41 H new ATOM 0 HZ PHE B 89 0.923 14.472 0.053 1.00 2.14 H new ATOM 3198 N GLU B 90 7.164 9.555 2.913 1.00 31.44 N ATOM 3199 CA GLU B 90 8.306 8.637 3.083 1.00 1.32 C ATOM 3200 C GLU B 90 7.876 7.355 3.818 1.00 23.31 C ATOM 3201 O GLU B 90 8.368 6.269 3.507 1.00 30.21 O ATOM 3202 CB GLU B 90 9.447 9.334 3.861 1.00 43.22 C ATOM 3203 CG GLU B 90 10.129 10.490 3.113 1.00 14.23 C ATOM 3204 CD GLU B 90 10.911 10.035 1.870 1.00 32.51 C ATOM 3205 OE1 GLU B 90 12.028 9.489 2.040 1.00 1.04 O ATOM 3206 OE2 GLU B 90 10.437 10.251 0.733 1.00 42.54 O ATOM 0 H GLU B 90 7.252 10.423 3.441 1.00 31.44 H new ATOM 0 HA GLU B 90 8.668 8.362 2.092 1.00 1.32 H new ATOM 0 HB2 GLU B 90 9.046 9.715 4.801 1.00 43.22 H new ATOM 0 HB3 GLU B 90 10.202 8.589 4.115 1.00 43.22 H new ATOM 0 HG2 GLU B 90 9.373 11.215 2.812 1.00 14.23 H new ATOM 0 HG3 GLU B 90 10.809 11.003 3.794 1.00 14.23 H new ATOM 3213 N LEU B 91 6.966 7.504 4.804 1.00 13.14 N ATOM 3214 CA LEU B 91 6.391 6.366 5.554 1.00 53.03 C ATOM 3215 C LEU B 91 5.430 5.548 4.659 1.00 73.54 C ATOM 3216 O LEU B 91 5.351 4.326 4.794 1.00 63.31 O ATOM 3217 CB LEU B 91 5.659 6.861 6.838 1.00 51.21 C ATOM 3218 CG LEU B 91 6.542 7.535 7.944 1.00 44.10 C ATOM 3219 CD1 LEU B 91 5.670 8.057 9.113 1.00 34.44 C ATOM 3220 CD2 LEU B 91 7.637 6.569 8.454 1.00 41.24 C ATOM 0 H LEU B 91 6.610 8.412 5.102 1.00 13.14 H new ATOM 0 HA LEU B 91 7.210 5.715 5.859 1.00 53.03 H new ATOM 0 HB2 LEU B 91 4.891 7.573 6.537 1.00 51.21 H new ATOM 0 HB3 LEU B 91 5.147 6.009 7.286 1.00 51.21 H new ATOM 0 HG LEU B 91 7.041 8.392 7.492 1.00 44.10 H new ATOM 0 HD11 LEU B 91 6.309 8.519 9.865 1.00 34.44 H new ATOM 0 HD12 LEU B 91 4.961 8.794 8.737 1.00 34.44 H new ATOM 0 HD13 LEU B 91 5.126 7.225 9.561 1.00 34.44 H new ATOM 0 HD21 LEU B 91 8.232 7.066 9.220 1.00 41.24 H new ATOM 0 HD22 LEU B 91 7.169 5.680 8.878 1.00 41.24 H new ATOM 0 HD23 LEU B 91 8.282 6.279 7.624 1.00 41.24 H new ATOM 3232 N ILE B 92 4.702 6.244 3.747 1.00 63.54 N ATOM 3233 CA ILE B 92 3.837 5.598 2.729 1.00 33.30 C ATOM 3234 C ILE B 92 4.703 4.759 1.762 1.00 42.21 C ATOM 3235 O ILE B 92 4.417 3.581 1.518 1.00 5.30 O ATOM 3236 CB ILE B 92 2.987 6.657 1.905 1.00 3.12 C ATOM 3237 CG1 ILE B 92 2.038 7.470 2.844 1.00 34.41 C ATOM 3238 CG2 ILE B 92 2.179 5.980 0.761 1.00 62.34 C ATOM 3239 CD1 ILE B 92 1.223 8.556 2.154 1.00 71.34 C ATOM 0 H ILE B 92 4.699 7.263 3.698 1.00 63.54 H new ATOM 0 HA ILE B 92 3.135 4.953 3.258 1.00 33.30 H new ATOM 0 HB ILE B 92 3.692 7.351 1.447 1.00 3.12 H new ATOM 0 HG12 ILE B 92 1.352 6.777 3.331 1.00 34.41 H new ATOM 0 HG13 ILE B 92 2.637 7.930 3.630 1.00 34.41 H new ATOM 0 HG21 ILE B 92 1.610 6.736 0.220 1.00 62.34 H new ATOM 0 HG22 ILE B 92 2.865 5.483 0.076 1.00 62.34 H new ATOM 0 HG23 ILE B 92 1.494 5.245 1.185 1.00 62.34 H new ATOM 0 HD11 ILE B 92 0.597 9.063 2.888 1.00 71.34 H new ATOM 0 HD12 ILE B 92 1.896 9.278 1.691 1.00 71.34 H new ATOM 0 HD13 ILE B 92 0.592 8.106 1.388 1.00 71.34 H new ATOM 3251 N LEU B 93 5.792 5.386 1.262 1.00 10.52 N ATOM 3252 CA LEU B 93 6.723 4.772 0.292 1.00 45.23 C ATOM 3253 C LEU B 93 7.430 3.554 0.902 1.00 23.22 C ATOM 3254 O LEU B 93 7.526 2.516 0.255 1.00 54.43 O ATOM 3255 CB LEU B 93 7.777 5.812 -0.199 1.00 43.33 C ATOM 3256 CG LEU B 93 7.256 6.936 -1.151 1.00 14.11 C ATOM 3257 CD1 LEU B 93 8.373 7.961 -1.458 1.00 32.10 C ATOM 3258 CD2 LEU B 93 6.662 6.337 -2.448 1.00 44.54 C ATOM 0 H LEU B 93 6.050 6.338 1.523 1.00 10.52 H new ATOM 0 HA LEU B 93 6.136 4.438 -0.564 1.00 45.23 H new ATOM 0 HB2 LEU B 93 8.223 6.285 0.676 1.00 43.33 H new ATOM 0 HB3 LEU B 93 8.575 5.274 -0.711 1.00 43.33 H new ATOM 0 HG LEU B 93 6.453 7.467 -0.640 1.00 14.11 H new ATOM 0 HD11 LEU B 93 7.986 8.733 -2.123 1.00 32.10 H new ATOM 0 HD12 LEU B 93 8.712 8.419 -0.529 1.00 32.10 H new ATOM 0 HD13 LEU B 93 9.209 7.454 -1.939 1.00 32.10 H new ATOM 0 HD21 LEU B 93 6.307 7.142 -3.091 1.00 44.54 H new ATOM 0 HD22 LEU B 93 7.430 5.767 -2.970 1.00 44.54 H new ATOM 0 HD23 LEU B 93 5.830 5.680 -2.197 1.00 44.54 H new ATOM 3270 N ALA B 94 7.897 3.704 2.154 1.00 3.51 N ATOM 3271 CA ALA B 94 8.668 2.667 2.866 1.00 41.12 C ATOM 3272 C ALA B 94 7.800 1.448 3.206 1.00 2.20 C ATOM 3273 O ALA B 94 8.229 0.306 3.028 1.00 13.43 O ATOM 3274 CB ALA B 94 9.277 3.263 4.138 1.00 3.21 C ATOM 0 H ALA B 94 7.750 4.551 2.703 1.00 3.51 H new ATOM 0 HA ALA B 94 9.466 2.323 2.208 1.00 41.12 H new ATOM 0 HB1 ALA B 94 9.846 2.496 4.663 1.00 3.21 H new ATOM 0 HB2 ALA B 94 9.938 4.088 3.873 1.00 3.21 H new ATOM 0 HB3 ALA B 94 8.481 3.630 4.785 1.00 3.21 H new ATOM 3280 N ALA B 95 6.573 1.712 3.694 1.00 3.13 N ATOM 3281 CA ALA B 95 5.624 0.656 4.085 1.00 63.42 C ATOM 3282 C ALA B 95 5.108 -0.119 2.858 1.00 41.15 C ATOM 3283 O ALA B 95 4.908 -1.323 2.936 1.00 20.32 O ATOM 3284 CB ALA B 95 4.462 1.256 4.880 1.00 5.43 C ATOM 0 H ALA B 95 6.215 2.658 3.827 1.00 3.13 H new ATOM 0 HA ALA B 95 6.151 -0.055 4.721 1.00 63.42 H new ATOM 0 HB1 ALA B 95 3.768 0.465 5.163 1.00 5.43 H new ATOM 0 HB2 ALA B 95 4.847 1.739 5.778 1.00 5.43 H new ATOM 0 HB3 ALA B 95 3.943 1.992 4.266 1.00 5.43 H new ATOM 3290 N ASN B 96 4.881 0.598 1.738 1.00 10.42 N ATOM 3291 CA ASN B 96 4.487 -0.008 0.443 1.00 74.45 C ATOM 3292 C ASN B 96 5.663 -0.805 -0.184 1.00 11.43 C ATOM 3293 O ASN B 96 5.465 -1.875 -0.773 1.00 74.22 O ATOM 3294 CB ASN B 96 3.997 1.111 -0.522 1.00 31.41 C ATOM 3295 CG ASN B 96 3.345 0.593 -1.807 1.00 54.01 C ATOM 3296 OD1 ASN B 96 3.361 1.396 -2.855 1.00 51.21 O flip ATOM 3297 ND2 ASN B 96 2.798 -0.506 -1.849 1.00 45.01 N flip ATOM 0 H ASN B 96 4.965 1.614 1.703 1.00 10.42 H new ATOM 0 HA ASN B 96 3.674 -0.713 0.616 1.00 74.45 H new ATOM 0 HB2 ASN B 96 3.282 1.742 0.006 1.00 31.41 H new ATOM 0 HB3 ASN B 96 4.845 1.743 -0.788 1.00 31.41 H new ATOM 0 HD21 ASN B 96 2.799 -1.108 -1.026 1.00 45.01 H new ATOM 0 HD22 ASN B 96 2.342 -0.816 -2.707 1.00 45.01 H new ATOM 3304 N TYR B 97 6.886 -0.260 -0.021 1.00 23.14 N ATOM 3305 CA TYR B 97 8.153 -0.890 -0.478 1.00 32.11 C ATOM 3306 C TYR B 97 8.431 -2.194 0.290 1.00 53.51 C ATOM 3307 O TYR B 97 9.041 -3.115 -0.251 1.00 55.30 O ATOM 3308 CB TYR B 97 9.347 0.116 -0.317 1.00 64.13 C ATOM 3309 CG TYR B 97 10.769 -0.481 -0.460 1.00 54.13 C ATOM 3310 CD1 TYR B 97 11.664 -0.487 0.621 1.00 30.40 C ATOM 3311 CD2 TYR B 97 11.205 -1.061 -1.660 1.00 33.34 C ATOM 3312 CE1 TYR B 97 12.925 -1.048 0.514 1.00 74.32 C ATOM 3313 CE2 TYR B 97 12.473 -1.617 -1.767 1.00 2.52 C ATOM 3314 CZ TYR B 97 13.326 -1.609 -0.675 1.00 52.12 C ATOM 3315 OH TYR B 97 14.580 -2.192 -0.754 1.00 61.13 O ATOM 0 H TYR B 97 7.029 0.640 0.436 1.00 23.14 H new ATOM 0 HA TYR B 97 8.049 -1.142 -1.533 1.00 32.11 H new ATOM 0 HB2 TYR B 97 9.231 0.906 -1.059 1.00 64.13 H new ATOM 0 HB3 TYR B 97 9.270 0.585 0.664 1.00 64.13 H new ATOM 0 HD1 TYR B 97 11.362 -0.044 1.558 1.00 30.40 H new ATOM 0 HD2 TYR B 97 10.544 -1.076 -2.514 1.00 33.34 H new ATOM 0 HE1 TYR B 97 13.592 -1.045 1.363 1.00 74.32 H new ATOM 0 HE2 TYR B 97 12.794 -2.055 -2.700 1.00 2.52 H new ATOM 0 HH TYR B 97 14.720 -2.546 -1.657 1.00 61.13 H new ATOM 3325 N LEU B 98 8.011 -2.245 1.559 1.00 22.33 N ATOM 3326 CA LEU B 98 8.190 -3.429 2.420 1.00 44.14 C ATOM 3327 C LEU B 98 6.898 -4.266 2.524 1.00 33.14 C ATOM 3328 O LEU B 98 6.912 -5.353 3.118 1.00 25.00 O ATOM 3329 CB LEU B 98 8.698 -2.980 3.817 1.00 65.15 C ATOM 3330 CG LEU B 98 10.101 -2.288 3.836 1.00 35.23 C ATOM 3331 CD1 LEU B 98 10.527 -1.900 5.269 1.00 72.15 C ATOM 3332 CD2 LEU B 98 11.169 -3.169 3.147 1.00 11.32 C ATOM 0 H LEU B 98 7.537 -1.469 2.022 1.00 22.33 H new ATOM 0 HA LEU B 98 8.938 -4.079 1.966 1.00 44.14 H new ATOM 0 HB2 LEU B 98 7.968 -2.293 4.246 1.00 65.15 H new ATOM 0 HB3 LEU B 98 8.735 -3.853 4.468 1.00 65.15 H new ATOM 0 HG LEU B 98 10.016 -1.364 3.265 1.00 35.23 H new ATOM 0 HD11 LEU B 98 11.506 -1.422 5.241 1.00 72.15 H new ATOM 0 HD12 LEU B 98 9.798 -1.208 5.691 1.00 72.15 H new ATOM 0 HD13 LEU B 98 10.578 -2.795 5.888 1.00 72.15 H new ATOM 0 HD21 LEU B 98 12.133 -2.661 3.176 1.00 11.32 H new ATOM 0 HD22 LEU B 98 11.245 -4.123 3.669 1.00 11.32 H new ATOM 0 HD23 LEU B 98 10.882 -3.344 2.110 1.00 11.32 H new ATOM 3344 N ASP B 99 5.802 -3.747 1.924 1.00 33.12 N ATOM 3345 CA ASP B 99 4.465 -4.395 1.899 1.00 1.25 C ATOM 3346 C ASP B 99 3.908 -4.634 3.316 1.00 23.50 C ATOM 3347 O ASP B 99 3.118 -5.562 3.545 1.00 73.34 O ATOM 3348 CB ASP B 99 4.499 -5.701 1.057 1.00 52.52 C ATOM 3349 CG ASP B 99 4.720 -5.436 -0.437 1.00 73.34 C ATOM 3350 OD1 ASP B 99 3.760 -5.551 -1.231 1.00 31.35 O ATOM 3351 OD2 ASP B 99 5.857 -5.096 -0.833 1.00 73.45 O ATOM 0 H ASP B 99 5.819 -2.852 1.435 1.00 33.12 H new ATOM 0 HA ASP B 99 3.775 -3.706 1.413 1.00 1.25 H new ATOM 0 HB2 ASP B 99 5.294 -6.347 1.429 1.00 52.52 H new ATOM 0 HB3 ASP B 99 3.561 -6.240 1.191 1.00 52.52 H new ATOM 3356 N ILE B 100 4.312 -3.758 4.255 1.00 4.13 N ATOM 3357 CA ILE B 100 3.788 -3.739 5.620 1.00 71.40 C ATOM 3358 C ILE B 100 2.416 -3.054 5.598 1.00 51.32 C ATOM 3359 O ILE B 100 2.315 -1.829 5.735 1.00 33.44 O ATOM 3360 CB ILE B 100 4.775 -3.017 6.619 1.00 23.04 C ATOM 3361 CG1 ILE B 100 6.175 -3.696 6.553 1.00 40.31 C ATOM 3362 CG2 ILE B 100 4.218 -3.016 8.074 1.00 33.24 C ATOM 3363 CD1 ILE B 100 7.264 -3.024 7.367 1.00 72.31 C ATOM 0 H ILE B 100 5.016 -3.041 4.079 1.00 4.13 H new ATOM 0 HA ILE B 100 3.686 -4.762 5.982 1.00 71.40 H new ATOM 0 HB ILE B 100 4.873 -1.974 6.317 1.00 23.04 H new ATOM 0 HG12 ILE B 100 6.076 -4.727 6.892 1.00 40.31 H new ATOM 0 HG13 ILE B 100 6.494 -3.732 5.511 1.00 40.31 H new ATOM 0 HG21 ILE B 100 4.924 -2.511 8.733 1.00 33.24 H new ATOM 0 HG22 ILE B 100 3.262 -2.493 8.097 1.00 33.24 H new ATOM 0 HG23 ILE B 100 4.078 -4.043 8.411 1.00 33.24 H new ATOM 0 HD11 ILE B 100 8.197 -3.575 7.252 1.00 72.31 H new ATOM 0 HD12 ILE B 100 7.401 -2.001 7.017 1.00 72.31 H new ATOM 0 HD13 ILE B 100 6.977 -3.012 8.419 1.00 72.31 H new ATOM 3375 N LYS B 101 1.380 -3.875 5.350 1.00 73.11 N ATOM 3376 CA LYS B 101 -0.022 -3.437 5.243 1.00 15.31 C ATOM 3377 C LYS B 101 -0.526 -2.658 6.499 1.00 0.32 C ATOM 3378 O LYS B 101 -1.178 -1.631 6.309 1.00 11.13 O ATOM 3379 CB LYS B 101 -0.943 -4.656 4.912 1.00 31.21 C ATOM 3380 CG LYS B 101 -2.448 -4.322 4.757 1.00 73.24 C ATOM 3381 CD LYS B 101 -2.720 -3.283 3.650 1.00 32.11 C ATOM 3382 CE LYS B 101 -4.200 -2.879 3.566 1.00 61.20 C ATOM 3383 NZ LYS B 101 -5.070 -4.012 3.154 1.00 2.13 N ATOM 0 H LYS B 101 1.496 -4.879 5.216 1.00 73.11 H new ATOM 0 HA LYS B 101 -0.071 -2.723 4.421 1.00 15.31 H new ATOM 0 HB2 LYS B 101 -0.592 -5.116 3.988 1.00 31.21 H new ATOM 0 HB3 LYS B 101 -0.832 -5.400 5.701 1.00 31.21 H new ATOM 0 HG2 LYS B 101 -2.997 -5.237 4.533 1.00 73.24 H new ATOM 0 HG3 LYS B 101 -2.831 -3.944 5.705 1.00 73.24 H new ATOM 0 HD2 LYS B 101 -2.115 -2.395 3.834 1.00 32.11 H new ATOM 0 HD3 LYS B 101 -2.404 -3.690 2.690 1.00 32.11 H new ATOM 0 HE2 LYS B 101 -4.528 -2.505 4.536 1.00 61.20 H new ATOM 0 HE3 LYS B 101 -4.311 -2.061 2.855 1.00 61.20 H new ATOM 0 HZ1 LYS B 101 -5.818 -3.663 2.521 1.00 2.13 H new ATOM 0 HZ2 LYS B 101 -4.499 -4.725 2.656 1.00 2.13 H new ATOM 0 HZ3 LYS B 101 -5.503 -4.442 3.996 1.00 2.13 H new ATOM 3397 N PRO B 102 -0.258 -3.106 7.791 1.00 2.10 N ATOM 3398 CA PRO B 102 -0.688 -2.344 9.004 1.00 13.40 C ATOM 3399 C PRO B 102 -0.241 -0.857 8.996 1.00 31.44 C ATOM 3400 O PRO B 102 -1.069 0.049 9.152 1.00 3.43 O ATOM 3401 CB PRO B 102 -0.023 -3.117 10.170 1.00 41.24 C ATOM 3402 CG PRO B 102 0.114 -4.520 9.665 1.00 51.24 C ATOM 3403 CD PRO B 102 0.412 -4.391 8.187 1.00 32.54 C ATOM 0 HA PRO B 102 -1.774 -2.289 9.073 1.00 13.40 H new ATOM 0 HB2 PRO B 102 0.947 -2.691 10.425 1.00 41.24 H new ATOM 0 HB3 PRO B 102 -0.635 -3.078 11.071 1.00 41.24 H new ATOM 0 HG2 PRO B 102 0.916 -5.047 10.182 1.00 51.24 H new ATOM 0 HG3 PRO B 102 -0.801 -5.088 9.833 1.00 51.24 H new ATOM 0 HD2 PRO B 102 1.485 -4.356 7.998 1.00 32.54 H new ATOM 0 HD3 PRO B 102 0.016 -5.237 7.625 1.00 32.54 H new ATOM 3411 N LEU B 103 1.077 -0.632 8.785 1.00 62.04 N ATOM 3412 CA LEU B 103 1.685 0.721 8.793 1.00 5.41 C ATOM 3413 C LEU B 103 1.148 1.556 7.623 1.00 22.54 C ATOM 3414 O LEU B 103 0.749 2.714 7.804 1.00 54.33 O ATOM 3415 CB LEU B 103 3.237 0.602 8.736 1.00 1.22 C ATOM 3416 CG LEU B 103 4.083 1.835 9.235 1.00 30.14 C ATOM 3417 CD1 LEU B 103 5.527 1.407 9.519 1.00 62.12 C ATOM 3418 CD2 LEU B 103 4.073 3.035 8.252 1.00 24.12 C ATOM 0 H LEU B 103 1.747 -1.380 8.605 1.00 62.04 H new ATOM 0 HA LEU B 103 1.413 1.231 9.717 1.00 5.41 H new ATOM 0 HB2 LEU B 103 3.529 -0.267 9.326 1.00 1.22 H new ATOM 0 HB3 LEU B 103 3.520 0.396 7.704 1.00 1.22 H new ATOM 0 HG LEU B 103 3.605 2.180 10.152 1.00 30.14 H new ATOM 0 HD11 LEU B 103 6.101 2.268 9.863 1.00 62.12 H new ATOM 0 HD12 LEU B 103 5.533 0.636 10.289 1.00 62.12 H new ATOM 0 HD13 LEU B 103 5.976 1.013 8.607 1.00 62.12 H new ATOM 0 HD21 LEU B 103 4.675 3.846 8.662 1.00 24.12 H new ATOM 0 HD22 LEU B 103 4.487 2.723 7.293 1.00 24.12 H new ATOM 0 HD23 LEU B 103 3.049 3.380 8.110 1.00 24.12 H new ATOM 3430 N LEU B 104 1.132 0.932 6.435 1.00 33.43 N ATOM 3431 CA LEU B 104 0.701 1.566 5.179 1.00 74.31 C ATOM 3432 C LEU B 104 -0.754 2.057 5.264 1.00 5.21 C ATOM 3433 O LEU B 104 -1.069 3.170 4.831 1.00 45.01 O ATOM 3434 CB LEU B 104 0.874 0.545 4.027 1.00 32.33 C ATOM 3435 CG LEU B 104 0.501 1.021 2.596 1.00 23.22 C ATOM 3436 CD1 LEU B 104 1.345 2.237 2.151 1.00 3.10 C ATOM 3437 CD2 LEU B 104 0.631 -0.142 1.606 1.00 44.12 C ATOM 0 H LEU B 104 1.422 -0.039 6.318 1.00 33.43 H new ATOM 0 HA LEU B 104 1.318 2.444 4.991 1.00 74.31 H new ATOM 0 HB2 LEU B 104 1.915 0.222 4.015 1.00 32.33 H new ATOM 0 HB3 LEU B 104 0.271 -0.332 4.259 1.00 32.33 H new ATOM 0 HG LEU B 104 -0.537 1.353 2.611 1.00 23.22 H new ATOM 0 HD11 LEU B 104 1.051 2.536 1.145 1.00 3.10 H new ATOM 0 HD12 LEU B 104 1.179 3.066 2.839 1.00 3.10 H new ATOM 0 HD13 LEU B 104 2.401 1.968 2.155 1.00 3.10 H new ATOM 0 HD21 LEU B 104 0.368 0.201 0.605 1.00 44.12 H new ATOM 0 HD22 LEU B 104 1.658 -0.507 1.606 1.00 44.12 H new ATOM 0 HD23 LEU B 104 -0.040 -0.948 1.902 1.00 44.12 H new ATOM 3449 N ASP B 105 -1.609 1.218 5.879 1.00 30.42 N ATOM 3450 CA ASP B 105 -3.039 1.502 6.087 1.00 52.22 C ATOM 3451 C ASP B 105 -3.214 2.769 6.943 1.00 0.24 C ATOM 3452 O ASP B 105 -3.928 3.700 6.551 1.00 65.33 O ATOM 3453 CB ASP B 105 -3.726 0.275 6.755 1.00 62.11 C ATOM 3454 CG ASP B 105 -5.234 0.475 6.987 1.00 22.02 C ATOM 3455 OD1 ASP B 105 -6.031 0.251 6.046 1.00 63.43 O ATOM 3456 OD2 ASP B 105 -5.634 0.866 8.112 1.00 34.23 O ATOM 0 H ASP B 105 -1.321 0.312 6.250 1.00 30.42 H new ATOM 0 HA ASP B 105 -3.514 1.682 5.123 1.00 52.22 H new ATOM 0 HB2 ASP B 105 -3.575 -0.604 6.128 1.00 62.11 H new ATOM 0 HB3 ASP B 105 -3.242 0.072 7.710 1.00 62.11 H new ATOM 3461 N VAL B 106 -2.492 2.802 8.080 1.00 12.45 N ATOM 3462 CA VAL B 106 -2.539 3.916 9.042 1.00 42.22 C ATOM 3463 C VAL B 106 -2.070 5.239 8.400 1.00 11.41 C ATOM 3464 O VAL B 106 -2.782 6.242 8.465 1.00 43.35 O ATOM 3465 CB VAL B 106 -1.678 3.596 10.328 1.00 65.35 C ATOM 3466 CG1 VAL B 106 -1.568 4.813 11.284 1.00 72.21 C ATOM 3467 CG2 VAL B 106 -2.251 2.367 11.070 1.00 45.54 C ATOM 0 H VAL B 106 -1.858 2.053 8.356 1.00 12.45 H new ATOM 0 HA VAL B 106 -3.579 4.036 9.344 1.00 42.22 H new ATOM 0 HB VAL B 106 -0.667 3.367 9.990 1.00 65.35 H new ATOM 0 HG11 VAL B 106 -0.967 4.541 12.152 1.00 72.21 H new ATOM 0 HG12 VAL B 106 -1.096 5.645 10.761 1.00 72.21 H new ATOM 0 HG13 VAL B 106 -2.564 5.109 11.612 1.00 72.21 H new ATOM 0 HG21 VAL B 106 -1.646 2.161 11.953 1.00 45.54 H new ATOM 0 HG22 VAL B 106 -3.278 2.571 11.373 1.00 45.54 H new ATOM 0 HG23 VAL B 106 -2.234 1.501 10.408 1.00 45.54 H new ATOM 3477 N THR B 107 -0.892 5.211 7.745 1.00 30.33 N ATOM 3478 CA THR B 107 -0.226 6.432 7.234 1.00 4.22 C ATOM 3479 C THR B 107 -0.975 7.045 6.028 1.00 31.13 C ATOM 3480 O THR B 107 -1.049 8.277 5.894 1.00 14.01 O ATOM 3481 CB THR B 107 1.266 6.139 6.864 1.00 43.20 C ATOM 3482 OG1 THR B 107 1.913 5.499 7.976 1.00 4.23 O ATOM 3483 CG2 THR B 107 2.040 7.426 6.516 1.00 22.24 C ATOM 0 H THR B 107 -0.377 4.351 7.555 1.00 30.33 H new ATOM 0 HA THR B 107 -0.249 7.168 8.038 1.00 4.22 H new ATOM 0 HB THR B 107 1.267 5.493 5.986 1.00 43.20 H new ATOM 0 HG1 THR B 107 2.884 5.597 7.890 1.00 4.23 H new ATOM 0 HG21 THR B 107 3.071 7.174 6.266 1.00 22.24 H new ATOM 0 HG22 THR B 107 1.569 7.915 5.663 1.00 22.24 H new ATOM 0 HG23 THR B 107 2.029 8.100 7.372 1.00 22.24 H new ATOM 3491 N CYS B 108 -1.551 6.175 5.172 1.00 61.41 N ATOM 3492 CA CYS B 108 -2.391 6.608 4.034 1.00 5.41 C ATOM 3493 C CYS B 108 -3.677 7.299 4.540 1.00 62.20 C ATOM 3494 O CYS B 108 -4.192 8.223 3.905 1.00 64.10 O ATOM 3495 CB CYS B 108 -2.742 5.409 3.129 1.00 71.22 C ATOM 3496 SG CYS B 108 -1.306 4.625 2.363 1.00 0.21 S ATOM 0 H CYS B 108 -1.449 5.163 5.248 1.00 61.41 H new ATOM 0 HA CYS B 108 -1.823 7.327 3.445 1.00 5.41 H new ATOM 0 HB2 CYS B 108 -3.278 4.666 3.719 1.00 71.22 H new ATOM 0 HB3 CYS B 108 -3.422 5.744 2.346 1.00 71.22 H new ATOM 0 HG CYS B 108 -0.819 3.729 3.169 1.00 0.21 H new ATOM 3502 N LYS B 109 -4.200 6.815 5.677 1.00 52.21 N ATOM 3503 CA LYS B 109 -5.352 7.432 6.363 1.00 12.53 C ATOM 3504 C LYS B 109 -4.943 8.706 7.131 1.00 21.14 C ATOM 3505 O LYS B 109 -5.741 9.630 7.233 1.00 23.25 O ATOM 3506 CB LYS B 109 -6.045 6.386 7.275 1.00 24.34 C ATOM 3507 CG LYS B 109 -6.769 5.284 6.470 1.00 55.53 C ATOM 3508 CD LYS B 109 -7.280 4.111 7.333 1.00 40.23 C ATOM 3509 CE LYS B 109 -8.008 3.064 6.479 1.00 12.10 C ATOM 3510 NZ LYS B 109 -8.349 1.838 7.248 1.00 45.44 N ATOM 0 H LYS B 109 -3.839 5.986 6.149 1.00 52.21 H new ATOM 0 HA LYS B 109 -6.075 7.754 5.613 1.00 12.53 H new ATOM 0 HB2 LYS B 109 -5.301 5.926 7.925 1.00 24.34 H new ATOM 0 HB3 LYS B 109 -6.764 6.891 7.920 1.00 24.34 H new ATOM 0 HG2 LYS B 109 -7.613 5.728 5.943 1.00 55.53 H new ATOM 0 HG3 LYS B 109 -6.089 4.895 5.712 1.00 55.53 H new ATOM 0 HD2 LYS B 109 -6.441 3.643 7.848 1.00 40.23 H new ATOM 0 HD3 LYS B 109 -7.954 4.489 8.101 1.00 40.23 H new ATOM 0 HE2 LYS B 109 -8.921 3.501 6.075 1.00 12.10 H new ATOM 0 HE3 LYS B 109 -7.381 2.793 5.629 1.00 12.10 H new ATOM 0 HZ1 LYS B 109 -8.731 1.118 6.602 1.00 45.44 H new ATOM 0 HZ2 LYS B 109 -7.494 1.469 7.711 1.00 45.44 H new ATOM 0 HZ3 LYS B 109 -9.062 2.068 7.970 1.00 45.44 H new ATOM 3524 N THR B 110 -3.695 8.752 7.648 1.00 3.13 N ATOM 3525 CA THR B 110 -3.167 9.916 8.401 1.00 42.03 C ATOM 3526 C THR B 110 -3.105 11.162 7.490 1.00 13.13 C ATOM 3527 O THR B 110 -3.579 12.248 7.868 1.00 43.23 O ATOM 3528 CB THR B 110 -1.746 9.614 9.006 1.00 41.32 C ATOM 3529 OG1 THR B 110 -1.824 8.503 9.918 1.00 74.14 O ATOM 3530 CG2 THR B 110 -1.138 10.830 9.741 1.00 74.13 C ATOM 0 H THR B 110 -3.026 7.987 7.557 1.00 3.13 H new ATOM 0 HA THR B 110 -3.849 10.113 9.228 1.00 42.03 H new ATOM 0 HB THR B 110 -1.093 9.374 8.167 1.00 41.32 H new ATOM 0 HG1 THR B 110 -2.153 7.712 9.442 1.00 74.14 H new ATOM 0 HG21 THR B 110 -0.158 10.563 10.137 1.00 74.13 H new ATOM 0 HG22 THR B 110 -1.033 11.661 9.044 1.00 74.13 H new ATOM 0 HG23 THR B 110 -1.793 11.124 10.561 1.00 74.13 H new ATOM 3538 N VAL B 111 -2.547 10.977 6.274 1.00 62.22 N ATOM 3539 CA VAL B 111 -2.486 12.043 5.258 1.00 11.35 C ATOM 3540 C VAL B 111 -3.907 12.425 4.778 1.00 61.34 C ATOM 3541 O VAL B 111 -4.178 13.595 4.473 1.00 4.11 O ATOM 3542 CB VAL B 111 -1.556 11.658 4.039 1.00 34.41 C ATOM 3543 CG1 VAL B 111 -0.107 11.400 4.499 1.00 72.23 C ATOM 3544 CG2 VAL B 111 -2.098 10.445 3.258 1.00 12.32 C ATOM 0 H VAL B 111 -2.132 10.095 5.974 1.00 62.22 H new ATOM 0 HA VAL B 111 -2.036 12.915 5.733 1.00 11.35 H new ATOM 0 HB VAL B 111 -1.556 12.513 3.363 1.00 34.41 H new ATOM 0 HG11 VAL B 111 0.507 11.138 3.637 1.00 72.23 H new ATOM 0 HG12 VAL B 111 0.291 12.300 4.968 1.00 72.23 H new ATOM 0 HG13 VAL B 111 -0.094 10.580 5.217 1.00 72.23 H new ATOM 0 HG21 VAL B 111 -1.427 10.216 2.430 1.00 12.32 H new ATOM 0 HG22 VAL B 111 -2.161 9.583 3.922 1.00 12.32 H new ATOM 0 HG23 VAL B 111 -3.089 10.676 2.869 1.00 12.32 H new ATOM 3554 N ALA B 112 -4.810 11.420 4.757 1.00 1.02 N ATOM 3555 CA ALA B 112 -6.223 11.608 4.397 1.00 34.33 C ATOM 3556 C ALA B 112 -6.996 12.364 5.498 1.00 73.53 C ATOM 3557 O ALA B 112 -7.977 13.035 5.199 1.00 73.44 O ATOM 3558 CB ALA B 112 -6.876 10.251 4.099 1.00 43.44 C ATOM 0 H ALA B 112 -4.574 10.456 4.991 1.00 1.02 H new ATOM 0 HA ALA B 112 -6.264 12.222 3.498 1.00 34.33 H new ATOM 0 HB1 ALA B 112 -7.922 10.401 3.833 1.00 43.44 H new ATOM 0 HB2 ALA B 112 -6.356 9.771 3.269 1.00 43.44 H new ATOM 0 HB3 ALA B 112 -6.814 9.615 4.982 1.00 43.44 H new ATOM 3564 N ASN B 113 -6.541 12.262 6.772 1.00 3.32 N ATOM 3565 CA ASN B 113 -7.172 12.976 7.918 1.00 71.41 C ATOM 3566 C ASN B 113 -6.913 14.496 7.860 1.00 42.41 C ATOM 3567 O ASN B 113 -7.690 15.279 8.420 1.00 74.54 O ATOM 3568 CB ASN B 113 -6.714 12.407 9.306 1.00 4.15 C ATOM 3569 CG ASN B 113 -7.518 11.178 9.768 1.00 15.50 C ATOM 3570 OD1 ASN B 113 -8.629 11.315 10.286 1.00 24.51 O ATOM 3571 ND2 ASN B 113 -6.953 9.988 9.652 1.00 2.32 N ATOM 0 H ASN B 113 -5.738 11.691 7.035 1.00 3.32 H new ATOM 0 HA ASN B 113 -8.244 12.802 7.823 1.00 71.41 H new ATOM 0 HB2 ASN B 113 -5.659 12.139 9.248 1.00 4.15 H new ATOM 0 HB3 ASN B 113 -6.803 13.192 10.057 1.00 4.15 H new ATOM 0 HD21 ASN B 113 -7.437 9.158 9.995 1.00 2.32 H new ATOM 0 HD22 ASN B 113 -6.033 9.900 9.220 1.00 2.32 H new ATOM 3578 N MET B 114 -5.818 14.903 7.196 1.00 42.33 N ATOM 3579 CA MET B 114 -5.471 16.333 7.027 1.00 12.51 C ATOM 3580 C MET B 114 -6.443 17.016 6.038 1.00 64.01 C ATOM 3581 O MET B 114 -6.814 18.176 6.208 1.00 73.14 O ATOM 3582 CB MET B 114 -4.011 16.480 6.527 1.00 62.35 C ATOM 3583 CG MET B 114 -2.955 15.813 7.423 1.00 41.12 C ATOM 3584 SD MET B 114 -1.267 16.173 6.891 1.00 3.15 S ATOM 3585 CE MET B 114 -1.273 15.570 5.201 1.00 21.23 C ATOM 0 H MET B 114 -5.152 14.262 6.764 1.00 42.33 H new ATOM 0 HA MET B 114 -5.561 16.823 7.996 1.00 12.51 H new ATOM 0 HB2 MET B 114 -3.940 16.055 5.526 1.00 62.35 H new ATOM 0 HB3 MET B 114 -3.776 17.541 6.440 1.00 62.35 H new ATOM 0 HG2 MET B 114 -3.089 16.152 8.450 1.00 41.12 H new ATOM 0 HG3 MET B 114 -3.111 14.734 7.421 1.00 41.12 H new ATOM 0 HE1 MET B 114 -0.443 14.878 5.058 1.00 21.23 H new ATOM 0 HE2 MET B 114 -2.213 15.055 5.002 1.00 21.23 H new ATOM 0 HE3 MET B 114 -1.167 16.410 4.515 1.00 21.23 H new ATOM 3595 N ILE B 115 -6.839 16.259 5.009 1.00 42.40 N ATOM 3596 CA ILE B 115 -7.722 16.730 3.903 1.00 11.35 C ATOM 3597 C ILE B 115 -9.195 16.234 4.074 1.00 54.33 C ATOM 3598 O ILE B 115 -10.022 16.432 3.180 1.00 4.20 O ATOM 3599 CB ILE B 115 -7.166 16.275 2.497 1.00 53.33 C ATOM 3600 CG1 ILE B 115 -7.191 14.716 2.372 1.00 74.44 C ATOM 3601 CG2 ILE B 115 -5.736 16.836 2.254 1.00 30.24 C ATOM 3602 CD1 ILE B 115 -6.914 14.182 0.983 1.00 23.43 C ATOM 0 H ILE B 115 -6.558 15.284 4.907 1.00 42.40 H new ATOM 0 HA ILE B 115 -7.724 17.819 3.950 1.00 11.35 H new ATOM 0 HB ILE B 115 -7.817 16.685 1.725 1.00 53.33 H new ATOM 0 HG12 ILE B 115 -6.454 14.299 3.059 1.00 74.44 H new ATOM 0 HG13 ILE B 115 -8.168 14.356 2.695 1.00 74.44 H new ATOM 0 HG21 ILE B 115 -5.377 16.507 1.279 1.00 30.24 H new ATOM 0 HG22 ILE B 115 -5.763 17.925 2.283 1.00 30.24 H new ATOM 0 HG23 ILE B 115 -5.064 16.469 3.030 1.00 30.24 H new ATOM 0 HD11 ILE B 115 -6.953 13.093 0.997 1.00 23.43 H new ATOM 0 HD12 ILE B 115 -7.665 14.563 0.290 1.00 23.43 H new ATOM 0 HD13 ILE B 115 -5.925 14.505 0.660 1.00 23.43 H new ATOM 3614 N ARG B 116 -9.459 15.569 5.221 1.00 44.14 N ATOM 3615 CA ARG B 116 -10.625 14.676 5.520 1.00 22.54 C ATOM 3616 C ARG B 116 -12.032 15.103 4.992 1.00 44.21 C ATOM 3617 O ARG B 116 -12.911 14.256 4.937 1.00 15.31 O ATOM 3618 CB ARG B 116 -10.637 14.437 7.068 1.00 73.15 C ATOM 3619 CG ARG B 116 -11.538 13.286 7.568 1.00 61.32 C ATOM 3620 CD ARG B 116 -11.432 13.033 9.084 1.00 42.34 C ATOM 3621 NE ARG B 116 -12.304 11.915 9.505 1.00 32.45 N ATOM 3622 CZ ARG B 116 -13.565 12.033 9.946 1.00 75.42 C ATOM 3623 NH1 ARG B 116 -14.154 13.221 10.037 1.00 25.14 N ATOM 3624 NH2 ARG B 116 -14.229 10.957 10.318 1.00 70.55 N ATOM 0 H ARG B 116 -8.829 15.639 6.020 1.00 44.14 H new ATOM 0 HA ARG B 116 -10.459 13.764 4.946 1.00 22.54 H new ATOM 0 HB2 ARG B 116 -9.615 14.240 7.393 1.00 73.15 H new ATOM 0 HB3 ARG B 116 -10.955 15.359 7.556 1.00 73.15 H new ATOM 0 HG2 ARG B 116 -12.574 13.512 7.318 1.00 61.32 H new ATOM 0 HG3 ARG B 116 -11.274 12.372 7.036 1.00 61.32 H new ATOM 0 HD2 ARG B 116 -10.398 12.809 9.346 1.00 42.34 H new ATOM 0 HD3 ARG B 116 -11.709 13.937 9.626 1.00 42.34 H new ATOM 0 HE ARG B 116 -11.913 10.974 9.456 1.00 32.45 H new ATOM 0 HH11 ARG B 116 -13.646 14.064 9.769 1.00 25.14 H new ATOM 0 HH12 ARG B 116 -15.114 13.290 10.375 1.00 25.14 H new ATOM 0 HH21 ARG B 116 -13.784 10.041 10.270 1.00 70.55 H new ATOM 0 HH22 ARG B 116 -15.188 11.041 10.654 1.00 70.55 H new ATOM 3638 N GLY B 117 -12.231 16.374 4.620 1.00 52.34 N ATOM 3639 CA GLY B 117 -13.478 16.895 3.990 1.00 73.01 C ATOM 3640 C GLY B 117 -14.835 16.401 4.549 1.00 14.24 C ATOM 3641 O GLY B 117 -15.810 16.347 3.775 1.00 43.31 O ATOM 3642 OXT GLY B 117 -14.938 16.077 5.744 1.00 37.66 O ATOM 0 H GLY B 117 -11.521 17.095 4.746 1.00 52.34 H new ATOM 0 HA2 GLY B 117 -13.461 17.982 4.066 1.00 73.01 H new ATOM 0 HA3 GLY B 117 -13.444 16.649 2.929 1.00 73.01 H new TER 3646 GLY B 117