USER MOD reduce.3.24.130724 H: found=0, std=0, add=1732, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 1738 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 81 CYS SG : rot 65:sc= 0.716 USER MOD Set 1.2: B 110 THR OG1 : rot 61:sc= 0.674 USER MOD Set 2.1: B 23 MET CE :methyl 143:sc= -0.0486 (180deg=-0.692) USER MOD Set 2.2: B 57 TYR OH : rot 116:sc= 0.316 USER MOD Set 2.3: B 61 HIS : no HD1:sc= 0 X(o=0.27,f=0.21) USER MOD Set 3.1: B 37 SER OG : rot 134:sc= 0.984 USER MOD Set 3.2: B 39 SER OG : rot 180:sc= 1.04 USER MOD Set 4.1: B 28 LYS NZ :NH3+ -116:sc= 1.22 (180deg=-0.0962) USER MOD Set 4.2: B 29 ASN : amide:sc= 0.319 K(o=1.5,f=-1.9) USER MOD Set 5.1: A 108 CYS SG : rot 79:sc= 0.904 USER MOD Set 5.2: B 96 ASN : amide:sc= -0.575 X(o=0.33,f=0.53) USER MOD Set 6.1: A 81 CYS SG : rot 77:sc= 0.778 USER MOD Set 6.2: A 110 THR OG1 : rot 61:sc= 0.692 USER MOD Set 7.1: A 57 TYR OH : rot 119:sc= 0.323 USER MOD Set 7.2: A 61 HIS : no HD1:sc= 0 X(o=0.32,f=0.31) USER MOD Set 8.1: A 37 SER OG : rot 127:sc= 0.946 USER MOD Set 8.2: A 39 SER OG : rot 180:sc= 1.05 USER MOD Set 9.1: A 28 LYS NZ :NH3+ -119:sc= 1.29 (180deg=0.0545) USER MOD Set 9.2: A 29 ASN : amide:sc= 0.336 K(o=1.6,f=-1.6) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 57:sc= 0.179 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+ -139:sc= 0.554 (180deg=0.365) USER MOD Single : A 22 CYS SG : rot 56:sc= 1.21 USER MOD Single : A 23 MET CE :methyl 143:sc= -0.0719 (180deg=-0.73) USER MOD Single : A 24 SER OG : rot 12:sc= -0.19 USER MOD Single : A 26 THR OG1 : rot 176:sc= 0.151 USER MOD Single : A 30 MET CE :methyl 160:sc= 0 (180deg=-0.48) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 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+ 170:sc= 0.481 (180deg=0.406) USER MOD Single : A 58 CYS SG : rot 65:sc= -4.02! USER MOD Single : A 60 HIS : no HE2:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 62 HIS : no HE2:sc= -0.991 K(o=-0.99,f=-5!) USER MOD Single : A 63 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.011) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 26:sc= 0.00741 USER MOD Single : A 82 LYS NZ :NH3+ 171:sc=-0.00703 (180deg=-0.119) USER MOD Single : A 85 GLN : amide:sc= 0.238 X(o=0.24,f=-0.045) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.285 (180deg=-0.486) USER MOD Single : A 107 THR OG1 : rot 75:sc= 0.958 USER MOD Single : A 109 LYS NZ :NH3+ -111:sc= 0.145 (180deg=-0.557) USER MOD Single : A 113 ASN : amide:sc= -0.0101 K(o=-0.01,f=-0.55) USER MOD Single : A 114 MET CE :methyl 168:sc= -1.65 (180deg=-1.83!) USER MOD Single : B 2 SER OG : rot -25:sc= 0.103 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 56:sc= 0.166 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+ -147:sc= 0.666 (180deg=0.444) USER MOD Single : B 22 CYS SG : rot 62:sc= 1.28 USER MOD Single : B 24 SER OG : rot 15:sc= -0.211 USER MOD Single : B 26 THR OG1 : rot 173:sc= 0.197 USER MOD Single : B 30 MET CE :methyl 158:sc= 0 (180deg=-0.598) USER MOD Single : B 45 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : B 47 THR OG1 : rot 180:sc= 0 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+ 169:sc= 0.422 (180deg=0.273) USER MOD Single : B 58 CYS SG : rot 82:sc= -4.04! USER MOD Single : B 60 HIS : no HE2:sc= -0.0496 K(o=-0.05,f=-1.3) USER MOD Single : B 62 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-4.9!) USER MOD Single : B 63 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.0038) USER MOD Single : B 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 76 TYR OH : rot 29:sc= 0.0301 USER MOD Single : B 82 LYS NZ :NH3+ 170:sc= -0.0165 (180deg=-0.164) USER MOD Single : B 85 GLN : amide:sc= 0.22 X(o=0.22,f=-0.044) 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+ -175:sc= -0.449 (180deg=-0.449) USER MOD Single : B 107 THR OG1 : rot 75:sc= 0.959 USER MOD Single : B 108 CYS SG : rot 71:sc= 0.912 USER MOD Single : B 109 LYS NZ :NH3+ -114:sc= 0.215 (180deg=-0.439) USER MOD Single : B 113 ASN : amide:sc=-0.00304 K(o=-0.003,f=-0.67) USER MOD Single : B 114 MET CE :methyl 169:sc= -1.71 (180deg=-1.92!) USER MOD ----------------------------------------------------------------- ATOM 14 N LEU A 3 -18.777 -11.646 -16.456 1.00 23.13 N ATOM 15 CA LEU A 3 -18.406 -10.414 -15.740 1.00 43.15 C ATOM 16 C LEU A 3 -18.978 -10.431 -14.306 1.00 43.41 C ATOM 17 O LEU A 3 -20.199 -10.480 -14.131 1.00 72.25 O ATOM 18 CB LEU A 3 -18.962 -9.188 -16.513 1.00 3.10 C ATOM 19 CG LEU A 3 -18.465 -9.013 -17.982 1.00 74.41 C ATOM 20 CD1 LEU A 3 -19.250 -7.896 -18.710 1.00 12.24 C ATOM 21 CD2 LEU A 3 -16.949 -8.743 -18.021 1.00 34.04 C ATOM 0 HA LEU A 3 -17.320 -10.350 -15.679 1.00 43.15 H new ATOM 0 HB2 LEU A 3 -20.050 -9.256 -16.526 1.00 3.10 H new ATOM 0 HB3 LEU A 3 -18.706 -8.287 -15.956 1.00 3.10 H new ATOM 0 HG LEU A 3 -18.653 -9.947 -18.512 1.00 74.41 H new ATOM 0 HD11 LEU A 3 -18.881 -7.798 -19.731 1.00 12.24 H new ATOM 0 HD12 LEU A 3 -20.310 -8.150 -18.730 1.00 12.24 H new ATOM 0 HD13 LEU A 3 -19.113 -6.952 -18.183 1.00 12.24 H new ATOM 0 HD21 LEU A 3 -16.627 -8.625 -19.056 1.00 34.04 H new ATOM 0 HD22 LEU A 3 -16.727 -7.832 -17.466 1.00 34.04 H new ATOM 0 HD23 LEU A 3 -16.418 -9.581 -17.569 1.00 34.04 H new ATOM 33 N VAL A 4 -18.098 -10.398 -13.290 1.00 61.13 N ATOM 34 CA VAL A 4 -18.526 -10.297 -11.882 1.00 51.12 C ATOM 35 C VAL A 4 -18.885 -8.837 -11.556 1.00 61.24 C ATOM 36 O VAL A 4 -18.113 -7.904 -11.819 1.00 4.43 O ATOM 37 CB VAL A 4 -17.465 -10.869 -10.867 1.00 72.52 C ATOM 38 CG1 VAL A 4 -17.337 -12.402 -11.027 1.00 73.45 C ATOM 39 CG2 VAL A 4 -16.090 -10.170 -11.011 1.00 62.10 C ATOM 0 H VAL A 4 -17.087 -10.440 -13.417 1.00 61.13 H new ATOM 0 HA VAL A 4 -19.410 -10.924 -11.763 1.00 51.12 H new ATOM 0 HB VAL A 4 -17.821 -10.657 -9.859 1.00 72.52 H new ATOM 0 HG11 VAL A 4 -16.600 -12.781 -10.319 1.00 73.45 H new ATOM 0 HG12 VAL A 4 -18.302 -12.870 -10.832 1.00 73.45 H new ATOM 0 HG13 VAL A 4 -17.018 -12.636 -12.043 1.00 73.45 H new ATOM 0 HG21 VAL A 4 -15.389 -10.595 -10.293 1.00 62.10 H new ATOM 0 HG22 VAL A 4 -15.710 -10.320 -12.021 1.00 62.10 H new ATOM 0 HG23 VAL A 4 -16.203 -9.103 -10.820 1.00 62.10 H new ATOM 49 N LYS A 5 -20.088 -8.659 -11.022 1.00 63.42 N ATOM 50 CA LYS A 5 -20.683 -7.351 -10.781 1.00 31.51 C ATOM 51 C LYS A 5 -20.277 -6.854 -9.391 1.00 31.10 C ATOM 52 O LYS A 5 -20.613 -7.470 -8.381 1.00 13.45 O ATOM 53 CB LYS A 5 -22.218 -7.480 -10.931 1.00 72.43 C ATOM 54 CG LYS A 5 -22.652 -8.092 -12.285 1.00 51.11 C ATOM 55 CD LYS A 5 -24.182 -8.149 -12.465 1.00 62.33 C ATOM 56 CE LYS A 5 -24.583 -8.754 -13.818 1.00 33.43 C ATOM 57 NZ LYS A 5 -26.042 -8.677 -14.051 1.00 75.21 N ATOM 0 H LYS A 5 -20.688 -9.434 -10.739 1.00 63.42 H new ATOM 0 HA LYS A 5 -20.327 -6.616 -11.503 1.00 31.51 H new ATOM 0 HB2 LYS A 5 -22.605 -8.098 -10.120 1.00 72.43 H new ATOM 0 HB3 LYS A 5 -22.671 -6.494 -10.824 1.00 72.43 H new ATOM 0 HG2 LYS A 5 -22.219 -7.506 -13.096 1.00 51.11 H new ATOM 0 HG3 LYS A 5 -22.245 -9.100 -12.367 1.00 51.11 H new ATOM 0 HD2 LYS A 5 -24.619 -8.740 -11.660 1.00 62.33 H new ATOM 0 HD3 LYS A 5 -24.594 -7.143 -12.382 1.00 62.33 H new ATOM 0 HE2 LYS A 5 -24.060 -8.230 -14.618 1.00 33.43 H new ATOM 0 HE3 LYS A 5 -24.264 -9.796 -13.858 1.00 33.43 H new ATOM 0 HZ1 LYS A 5 -26.269 -9.096 -14.975 1.00 75.21 H new ATOM 0 HZ2 LYS A 5 -26.541 -9.199 -13.302 1.00 75.21 H new ATOM 0 HZ3 LYS A 5 -26.343 -7.682 -14.039 1.00 75.21 H new ATOM 71 N LEU A 6 -19.489 -5.778 -9.354 1.00 22.35 N ATOM 72 CA LEU A 6 -18.998 -5.178 -8.108 1.00 54.13 C ATOM 73 C LEU A 6 -19.582 -3.774 -7.979 1.00 21.14 C ATOM 74 O LEU A 6 -19.163 -2.855 -8.691 1.00 22.32 O ATOM 75 CB LEU A 6 -17.443 -5.134 -8.100 1.00 24.22 C ATOM 76 CG LEU A 6 -16.711 -6.493 -8.351 1.00 40.42 C ATOM 77 CD1 LEU A 6 -15.187 -6.316 -8.287 1.00 62.52 C ATOM 78 CD2 LEU A 6 -17.189 -7.602 -7.385 1.00 31.14 C ATOM 0 H LEU A 6 -19.170 -5.293 -10.193 1.00 22.35 H new ATOM 0 HA LEU A 6 -19.314 -5.782 -7.258 1.00 54.13 H new ATOM 0 HB2 LEU A 6 -17.117 -4.424 -8.860 1.00 24.22 H new ATOM 0 HB3 LEU A 6 -17.117 -4.742 -7.137 1.00 24.22 H new ATOM 0 HG LEU A 6 -16.973 -6.818 -9.358 1.00 40.42 H new ATOM 0 HD11 LEU A 6 -14.701 -7.276 -8.465 1.00 62.52 H new ATOM 0 HD12 LEU A 6 -14.871 -5.603 -9.049 1.00 62.52 H new ATOM 0 HD13 LEU A 6 -14.905 -5.944 -7.302 1.00 62.52 H new ATOM 0 HD21 LEU A 6 -16.652 -8.526 -7.598 1.00 31.14 H new ATOM 0 HD22 LEU A 6 -16.994 -7.298 -6.357 1.00 31.14 H new ATOM 0 HD23 LEU A 6 -18.259 -7.765 -7.518 1.00 31.14 H new ATOM 90 N GLU A 7 -20.589 -3.627 -7.112 1.00 1.43 N ATOM 91 CA GLU A 7 -21.254 -2.339 -6.888 1.00 4.10 C ATOM 92 C GLU A 7 -20.374 -1.439 -6.014 1.00 65.10 C ATOM 93 O GLU A 7 -19.589 -1.917 -5.191 1.00 23.11 O ATOM 94 CB GLU A 7 -22.661 -2.516 -6.246 1.00 44.12 C ATOM 95 CG GLU A 7 -23.702 -3.244 -7.126 1.00 71.42 C ATOM 96 CD GLU A 7 -23.327 -4.703 -7.443 1.00 23.41 C ATOM 97 OE1 GLU A 7 -23.079 -5.032 -8.625 1.00 12.40 O ATOM 98 OE2 GLU A 7 -23.255 -5.518 -6.499 1.00 23.15 O ATOM 0 H GLU A 7 -20.964 -4.391 -6.550 1.00 1.43 H new ATOM 0 HA GLU A 7 -21.399 -1.866 -7.859 1.00 4.10 H new ATOM 0 HB2 GLU A 7 -22.549 -3.068 -5.313 1.00 44.12 H new ATOM 0 HB3 GLU A 7 -23.052 -1.531 -5.990 1.00 44.12 H new ATOM 0 HG2 GLU A 7 -24.668 -3.227 -6.621 1.00 71.42 H new ATOM 0 HG3 GLU A 7 -23.822 -2.697 -8.061 1.00 71.42 H new ATOM 105 N SER A 8 -20.504 -0.140 -6.218 1.00 3.14 N ATOM 106 CA SER A 8 -19.772 0.880 -5.460 1.00 44.22 C ATOM 107 C SER A 8 -20.549 1.302 -4.199 1.00 23.40 C ATOM 108 O SER A 8 -21.577 0.699 -3.855 1.00 4.51 O ATOM 109 CB SER A 8 -19.532 2.076 -6.393 1.00 64.43 C ATOM 110 OG SER A 8 -20.737 2.501 -7.020 1.00 73.04 O ATOM 0 H SER A 8 -21.129 0.250 -6.924 1.00 3.14 H new ATOM 0 HA SER A 8 -18.819 0.478 -5.116 1.00 44.22 H new ATOM 0 HB2 SER A 8 -19.106 2.902 -5.824 1.00 64.43 H new ATOM 0 HB3 SER A 8 -18.801 1.803 -7.155 1.00 64.43 H new ATOM 0 HG SER A 8 -21.402 2.721 -6.335 1.00 73.04 H new ATOM 116 N SER A 9 -20.016 2.319 -3.497 1.00 33.22 N ATOM 117 CA SER A 9 -20.733 3.034 -2.427 1.00 13.23 C ATOM 118 C SER A 9 -22.047 3.643 -2.975 1.00 13.02 C ATOM 119 O SER A 9 -23.063 3.707 -2.277 1.00 3.44 O ATOM 120 CB SER A 9 -19.818 4.135 -1.839 1.00 55.43 C ATOM 121 OG SER A 9 -20.436 4.822 -0.758 1.00 25.32 O ATOM 0 H SER A 9 -19.071 2.669 -3.657 1.00 33.22 H new ATOM 0 HA SER A 9 -20.993 2.333 -1.634 1.00 13.23 H new ATOM 0 HB2 SER A 9 -18.885 3.686 -1.497 1.00 55.43 H new ATOM 0 HB3 SER A 9 -19.561 4.848 -2.622 1.00 55.43 H new ATOM 0 HG SER A 9 -19.826 5.507 -0.414 1.00 25.32 H new ATOM 127 N ASP A 10 -22.003 4.049 -4.263 1.00 23.24 N ATOM 128 CA ASP A 10 -23.151 4.614 -5.000 1.00 24.14 C ATOM 129 C ASP A 10 -24.060 3.512 -5.582 1.00 11.42 C ATOM 130 O ASP A 10 -25.033 3.819 -6.281 1.00 62.10 O ATOM 131 CB ASP A 10 -22.631 5.518 -6.147 1.00 32.35 C ATOM 132 CG ASP A 10 -21.751 6.668 -5.645 1.00 34.43 C ATOM 133 OD1 ASP A 10 -20.555 6.430 -5.365 1.00 44.11 O ATOM 134 OD2 ASP A 10 -22.238 7.812 -5.555 1.00 22.43 O ATOM 0 H ASP A 10 -21.155 3.992 -4.827 1.00 23.24 H new ATOM 0 HA ASP A 10 -23.746 5.198 -4.298 1.00 24.14 H new ATOM 0 HB2 ASP A 10 -22.062 4.912 -6.851 1.00 32.35 H new ATOM 0 HB3 ASP A 10 -23.480 5.928 -6.693 1.00 32.35 H new ATOM 139 N GLU A 11 -23.703 2.234 -5.308 1.00 51.14 N ATOM 140 CA GLU A 11 -24.458 1.035 -5.737 1.00 61.54 C ATOM 141 C GLU A 11 -24.476 0.875 -7.271 1.00 4.22 C ATOM 142 O GLU A 11 -25.326 0.164 -7.818 1.00 22.05 O ATOM 143 CB GLU A 11 -25.896 1.051 -5.139 1.00 40.41 C ATOM 144 CG GLU A 11 -25.936 1.051 -3.596 1.00 73.25 C ATOM 145 CD GLU A 11 -27.352 1.251 -3.032 1.00 71.54 C ATOM 146 OE1 GLU A 11 -27.709 2.391 -2.674 1.00 21.10 O ATOM 147 OE2 GLU A 11 -28.118 0.273 -2.963 1.00 40.33 O ATOM 0 H GLU A 11 -22.866 2.005 -4.772 1.00 51.14 H new ATOM 0 HA GLU A 11 -23.939 0.160 -5.345 1.00 61.54 H new ATOM 0 HB2 GLU A 11 -26.421 1.933 -5.506 1.00 40.41 H new ATOM 0 HB3 GLU A 11 -26.440 0.181 -5.506 1.00 40.41 H new ATOM 0 HG2 GLU A 11 -25.534 0.107 -3.228 1.00 73.25 H new ATOM 0 HG3 GLU A 11 -25.286 1.842 -3.221 1.00 73.25 H new ATOM 154 N LYS A 12 -23.509 1.516 -7.956 1.00 1.14 N ATOM 155 CA LYS A 12 -23.368 1.420 -9.415 1.00 72.21 C ATOM 156 C LYS A 12 -22.659 0.110 -9.771 1.00 51.12 C ATOM 157 O LYS A 12 -21.559 -0.154 -9.280 1.00 22.34 O ATOM 158 CB LYS A 12 -22.609 2.651 -9.981 1.00 31.20 C ATOM 159 CG LYS A 12 -23.345 3.985 -9.733 1.00 74.41 C ATOM 160 CD LYS A 12 -22.707 5.188 -10.463 1.00 60.20 C ATOM 161 CE LYS A 12 -23.461 6.496 -10.180 1.00 64.02 C ATOM 162 NZ LYS A 12 -22.852 7.660 -10.875 1.00 53.35 N ATOM 0 H LYS A 12 -22.809 2.111 -7.513 1.00 1.14 H new ATOM 0 HA LYS A 12 -24.357 1.417 -9.873 1.00 72.21 H new ATOM 0 HB2 LYS A 12 -21.619 2.700 -9.527 1.00 31.20 H new ATOM 0 HB3 LYS A 12 -22.462 2.518 -11.053 1.00 31.20 H new ATOM 0 HG2 LYS A 12 -24.382 3.884 -10.054 1.00 74.41 H new ATOM 0 HG3 LYS A 12 -23.362 4.188 -8.662 1.00 74.41 H new ATOM 0 HD2 LYS A 12 -21.668 5.293 -10.150 1.00 60.20 H new ATOM 0 HD3 LYS A 12 -22.699 4.999 -11.536 1.00 60.20 H new ATOM 0 HE2 LYS A 12 -24.499 6.390 -10.495 1.00 64.02 H new ATOM 0 HE3 LYS A 12 -23.471 6.682 -9.106 1.00 64.02 H new ATOM 0 HZ1 LYS A 12 -23.395 8.519 -10.654 1.00 53.35 H new ATOM 0 HZ2 LYS A 12 -21.869 7.780 -10.556 1.00 53.35 H new ATOM 0 HZ3 LYS A 12 -22.865 7.497 -11.902 1.00 53.35 H new ATOM 176 N VAL A 13 -23.324 -0.696 -10.610 1.00 3.00 N ATOM 177 CA VAL A 13 -22.903 -2.056 -10.963 1.00 21.51 C ATOM 178 C VAL A 13 -21.726 -2.027 -11.959 1.00 64.31 C ATOM 179 O VAL A 13 -21.908 -1.731 -13.144 1.00 42.31 O ATOM 180 CB VAL A 13 -24.121 -2.853 -11.573 1.00 32.05 C ATOM 181 CG1 VAL A 13 -23.721 -4.286 -11.995 1.00 75.44 C ATOM 182 CG2 VAL A 13 -25.317 -2.871 -10.588 1.00 1.32 C ATOM 0 H VAL A 13 -24.188 -0.413 -11.072 1.00 3.00 H new ATOM 0 HA VAL A 13 -22.565 -2.560 -10.058 1.00 21.51 H new ATOM 0 HB VAL A 13 -24.433 -2.330 -12.477 1.00 32.05 H new ATOM 0 HG11 VAL A 13 -24.589 -4.799 -12.409 1.00 75.44 H new ATOM 0 HG12 VAL A 13 -22.934 -4.237 -12.748 1.00 75.44 H new ATOM 0 HG13 VAL A 13 -23.357 -4.833 -11.125 1.00 75.44 H new ATOM 0 HG21 VAL A 13 -26.144 -3.426 -11.030 1.00 1.32 H new ATOM 0 HG22 VAL A 13 -25.015 -3.351 -9.657 1.00 1.32 H new ATOM 0 HG23 VAL A 13 -25.635 -1.849 -10.382 1.00 1.32 H new ATOM 192 N PHE A 14 -20.512 -2.298 -11.462 1.00 73.13 N ATOM 193 CA PHE A 14 -19.313 -2.408 -12.308 1.00 4.44 C ATOM 194 C PHE A 14 -19.080 -3.875 -12.668 1.00 15.02 C ATOM 195 O PHE A 14 -18.487 -4.634 -11.895 1.00 32.02 O ATOM 196 CB PHE A 14 -18.085 -1.776 -11.603 1.00 2.34 C ATOM 197 CG PHE A 14 -18.226 -0.266 -11.434 1.00 4.42 C ATOM 198 CD1 PHE A 14 -18.031 0.584 -12.522 1.00 61.22 C ATOM 199 CD2 PHE A 14 -18.582 0.300 -10.210 1.00 35.15 C ATOM 200 CE1 PHE A 14 -18.188 1.947 -12.392 1.00 61.23 C ATOM 201 CE2 PHE A 14 -18.731 1.666 -10.080 1.00 4.44 C ATOM 202 CZ PHE A 14 -18.537 2.486 -11.171 1.00 63.34 C ATOM 0 H PHE A 14 -20.332 -2.447 -10.469 1.00 73.13 H new ATOM 0 HA PHE A 14 -19.464 -1.852 -13.233 1.00 4.44 H new ATOM 0 HB2 PHE A 14 -17.953 -2.238 -10.624 1.00 2.34 H new ATOM 0 HB3 PHE A 14 -17.186 -1.992 -12.181 1.00 2.34 H new ATOM 0 HD1 PHE A 14 -17.753 0.169 -13.479 1.00 61.22 H new ATOM 0 HD2 PHE A 14 -18.743 -0.338 -9.354 1.00 35.15 H new ATOM 0 HE1 PHE A 14 -18.038 2.592 -13.245 1.00 61.23 H new ATOM 0 HE2 PHE A 14 -18.999 2.092 -9.125 1.00 4.44 H new ATOM 0 HZ PHE A 14 -18.659 3.554 -11.069 1.00 63.34 H new ATOM 212 N GLU A 15 -19.612 -4.265 -13.839 1.00 13.22 N ATOM 213 CA GLU A 15 -19.484 -5.625 -14.382 1.00 5.23 C ATOM 214 C GLU A 15 -18.053 -5.812 -14.911 1.00 21.31 C ATOM 215 O GLU A 15 -17.784 -5.651 -16.112 1.00 4.30 O ATOM 216 CB GLU A 15 -20.528 -5.856 -15.503 1.00 72.34 C ATOM 217 CG GLU A 15 -21.967 -5.479 -15.113 1.00 25.41 C ATOM 218 CD GLU A 15 -22.965 -5.615 -16.269 1.00 13.34 C ATOM 219 OE1 GLU A 15 -22.839 -4.854 -17.255 1.00 13.10 O ATOM 220 OE2 GLU A 15 -23.880 -6.461 -16.198 1.00 34.44 O ATOM 0 H GLU A 15 -20.148 -3.638 -14.439 1.00 13.22 H new ATOM 0 HA GLU A 15 -19.675 -6.359 -13.599 1.00 5.23 H new ATOM 0 HB2 GLU A 15 -20.238 -5.277 -16.379 1.00 72.34 H new ATOM 0 HB3 GLU A 15 -20.506 -6.906 -15.794 1.00 72.34 H new ATOM 0 HG2 GLU A 15 -22.290 -6.113 -14.287 1.00 25.41 H new ATOM 0 HG3 GLU A 15 -21.980 -4.451 -14.750 1.00 25.41 H new ATOM 227 N ILE A 16 -17.136 -6.073 -13.982 1.00 31.35 N ATOM 228 CA ILE A 16 -15.711 -6.222 -14.273 1.00 54.23 C ATOM 229 C ILE A 16 -15.414 -7.697 -14.548 1.00 71.03 C ATOM 230 O ILE A 16 -16.060 -8.590 -13.994 1.00 0.12 O ATOM 231 CB ILE A 16 -14.827 -5.668 -13.082 1.00 52.23 C ATOM 232 CG1 ILE A 16 -13.311 -5.590 -13.463 1.00 71.44 C ATOM 233 CG2 ILE A 16 -15.025 -6.501 -11.795 1.00 65.54 C ATOM 234 CD1 ILE A 16 -12.981 -4.606 -14.581 1.00 1.22 C ATOM 0 H ILE A 16 -17.364 -6.188 -12.994 1.00 31.35 H new ATOM 0 HA ILE A 16 -15.457 -5.635 -15.156 1.00 54.23 H new ATOM 0 HB ILE A 16 -15.169 -4.652 -12.885 1.00 52.23 H new ATOM 0 HG12 ILE A 16 -12.742 -5.314 -12.575 1.00 71.44 H new ATOM 0 HG13 ILE A 16 -12.974 -6.583 -13.761 1.00 71.44 H new ATOM 0 HG21 ILE A 16 -14.403 -6.093 -10.998 1.00 65.54 H new ATOM 0 HG22 ILE A 16 -16.072 -6.463 -11.494 1.00 65.54 H new ATOM 0 HG23 ILE A 16 -14.740 -7.536 -11.984 1.00 65.54 H new ATOM 0 HD11 ILE A 16 -11.908 -4.622 -14.775 1.00 1.22 H new ATOM 0 HD12 ILE A 16 -13.517 -4.891 -15.486 1.00 1.22 H new ATOM 0 HD13 ILE A 16 -13.281 -3.602 -14.282 1.00 1.22 H new ATOM 246 N GLU A 17 -14.460 -7.929 -15.438 1.00 44.24 N ATOM 247 CA GLU A 17 -14.008 -9.267 -15.807 1.00 43.14 C ATOM 248 C GLU A 17 -13.360 -9.931 -14.565 1.00 63.13 C ATOM 249 O GLU A 17 -12.585 -9.285 -13.851 1.00 45.50 O ATOM 250 CB GLU A 17 -13.049 -9.108 -17.017 1.00 15.52 C ATOM 251 CG GLU A 17 -12.742 -10.373 -17.831 1.00 54.01 C ATOM 252 CD GLU A 17 -11.704 -11.295 -17.180 1.00 45.24 C ATOM 253 OE1 GLU A 17 -10.513 -10.925 -17.147 1.00 50.10 O ATOM 254 OE2 GLU A 17 -12.074 -12.387 -16.686 1.00 52.54 O ATOM 0 H GLU A 17 -13.970 -7.184 -15.932 1.00 44.24 H new ATOM 0 HA GLU A 17 -14.819 -9.927 -16.114 1.00 43.14 H new ATOM 0 HB2 GLU A 17 -13.475 -8.365 -17.692 1.00 15.52 H new ATOM 0 HB3 GLU A 17 -12.106 -8.703 -16.651 1.00 15.52 H new ATOM 0 HG2 GLU A 17 -13.667 -10.931 -17.979 1.00 54.01 H new ATOM 0 HG3 GLU A 17 -12.385 -10.080 -18.818 1.00 54.01 H new ATOM 261 N LYS A 18 -13.706 -11.209 -14.316 1.00 74.24 N ATOM 262 CA LYS A 18 -13.418 -11.900 -13.044 1.00 75.44 C ATOM 263 C LYS A 18 -11.905 -12.007 -12.751 1.00 41.43 C ATOM 264 O LYS A 18 -11.496 -11.907 -11.593 1.00 15.13 O ATOM 265 CB LYS A 18 -14.081 -13.304 -13.032 1.00 3.01 C ATOM 266 CG LYS A 18 -14.009 -14.038 -11.663 1.00 52.12 C ATOM 267 CD LYS A 18 -14.825 -15.357 -11.626 1.00 45.54 C ATOM 268 CE LYS A 18 -14.261 -16.449 -12.553 1.00 3.10 C ATOM 269 NZ LYS A 18 -12.921 -16.909 -12.126 1.00 32.41 N ATOM 0 H LYS A 18 -14.195 -11.793 -14.994 1.00 74.24 H new ATOM 0 HA LYS A 18 -13.847 -11.293 -12.246 1.00 75.44 H new ATOM 0 HB2 LYS A 18 -15.127 -13.201 -13.320 1.00 3.01 H new ATOM 0 HB3 LYS A 18 -13.602 -13.925 -13.789 1.00 3.01 H new ATOM 0 HG2 LYS A 18 -12.967 -14.258 -11.432 1.00 52.12 H new ATOM 0 HG3 LYS A 18 -14.375 -13.371 -10.882 1.00 52.12 H new ATOM 0 HD2 LYS A 18 -14.847 -15.734 -10.603 1.00 45.54 H new ATOM 0 HD3 LYS A 18 -15.856 -15.146 -11.910 1.00 45.54 H new ATOM 0 HE2 LYS A 18 -14.946 -17.297 -12.571 1.00 3.10 H new ATOM 0 HE3 LYS A 18 -14.204 -16.064 -13.571 1.00 3.10 H new ATOM 0 HZ1 LYS A 18 -12.315 -17.037 -12.962 1.00 32.41 H new ATOM 0 HZ2 LYS A 18 -12.495 -16.200 -11.495 1.00 32.41 H new ATOM 0 HZ3 LYS A 18 -13.009 -17.813 -11.620 1.00 32.41 H new ATOM 283 N GLU A 19 -11.085 -12.188 -13.802 1.00 44.22 N ATOM 284 CA GLU A 19 -9.617 -12.287 -13.666 1.00 70.04 C ATOM 285 C GLU A 19 -9.002 -10.905 -13.338 1.00 30.31 C ATOM 286 O GLU A 19 -7.953 -10.823 -12.697 1.00 51.14 O ATOM 287 CB GLU A 19 -8.991 -12.899 -14.947 1.00 23.23 C ATOM 288 CG GLU A 19 -7.475 -13.176 -14.859 1.00 74.23 C ATOM 289 CD GLU A 19 -6.873 -13.747 -16.155 1.00 71.55 C ATOM 290 OE1 GLU A 19 -5.914 -13.151 -16.695 1.00 11.52 O ATOM 291 OE2 GLU A 19 -7.364 -14.787 -16.642 1.00 24.32 O ATOM 0 H GLU A 19 -11.416 -12.269 -14.763 1.00 44.22 H new ATOM 0 HA GLU A 19 -9.390 -12.954 -12.834 1.00 70.04 H new ATOM 0 HB2 GLU A 19 -9.504 -13.833 -15.174 1.00 23.23 H new ATOM 0 HB3 GLU A 19 -9.175 -12.223 -15.782 1.00 23.23 H new ATOM 0 HG2 GLU A 19 -6.960 -12.249 -14.607 1.00 74.23 H new ATOM 0 HG3 GLU A 19 -7.289 -13.875 -14.044 1.00 74.23 H new ATOM 298 N ILE A 20 -9.681 -9.820 -13.760 1.00 24.04 N ATOM 299 CA ILE A 20 -9.298 -8.434 -13.388 1.00 43.04 C ATOM 300 C ILE A 20 -9.662 -8.171 -11.906 1.00 5.52 C ATOM 301 O ILE A 20 -8.941 -7.475 -11.185 1.00 63.33 O ATOM 302 CB ILE A 20 -9.993 -7.366 -14.314 1.00 12.20 C ATOM 303 CG1 ILE A 20 -9.736 -7.694 -15.813 1.00 72.11 C ATOM 304 CG2 ILE A 20 -9.520 -5.934 -13.972 1.00 10.21 C ATOM 305 CD1 ILE A 20 -10.287 -6.691 -16.811 1.00 63.32 C ATOM 0 H ILE A 20 -10.503 -9.873 -14.362 1.00 24.04 H new ATOM 0 HA ILE A 20 -8.221 -8.336 -13.525 1.00 43.04 H new ATOM 0 HB ILE A 20 -11.067 -7.410 -14.132 1.00 12.20 H new ATOM 0 HG12 ILE A 20 -8.660 -7.779 -15.968 1.00 72.11 H new ATOM 0 HG13 ILE A 20 -10.168 -8.671 -16.031 1.00 72.11 H new ATOM 0 HG21 ILE A 20 -10.018 -5.220 -14.628 1.00 10.21 H new ATOM 0 HG22 ILE A 20 -9.767 -5.707 -12.935 1.00 10.21 H new ATOM 0 HG23 ILE A 20 -8.441 -5.864 -14.111 1.00 10.21 H new ATOM 0 HD11 ILE A 20 -10.051 -7.018 -17.824 1.00 63.32 H new ATOM 0 HD12 ILE A 20 -11.369 -6.619 -16.696 1.00 63.32 H new ATOM 0 HD13 ILE A 20 -9.838 -5.714 -16.631 1.00 63.32 H new ATOM 317 N ALA A 21 -10.787 -8.755 -11.465 1.00 3.32 N ATOM 318 CA ALA A 21 -11.211 -8.730 -10.049 1.00 13.34 C ATOM 319 C ALA A 21 -10.280 -9.603 -9.182 1.00 54.51 C ATOM 320 O ALA A 21 -10.175 -9.391 -7.974 1.00 23.03 O ATOM 321 CB ALA A 21 -12.668 -9.192 -9.921 1.00 11.02 C ATOM 0 H ALA A 21 -11.430 -9.258 -12.076 1.00 3.32 H new ATOM 0 HA ALA A 21 -11.142 -7.704 -9.686 1.00 13.34 H new ATOM 0 HB1 ALA A 21 -12.966 -9.168 -8.873 1.00 11.02 H new ATOM 0 HB2 ALA A 21 -13.312 -8.528 -10.497 1.00 11.02 H new ATOM 0 HB3 ALA A 21 -12.762 -10.209 -10.302 1.00 11.02 H new ATOM 327 N CYS A 22 -9.635 -10.604 -9.816 1.00 44.31 N ATOM 328 CA CYS A 22 -8.604 -11.434 -9.174 1.00 1.31 C ATOM 329 C CYS A 22 -7.266 -10.671 -9.047 1.00 62.40 C ATOM 330 O CYS A 22 -6.482 -10.947 -8.133 1.00 14.21 O ATOM 331 CB CYS A 22 -8.424 -12.759 -9.936 1.00 25.23 C ATOM 332 SG CYS A 22 -9.920 -13.763 -9.989 1.00 3.11 S ATOM 0 H CYS A 22 -9.817 -10.857 -10.787 1.00 44.31 H new ATOM 0 HA CYS A 22 -8.939 -11.668 -8.164 1.00 1.31 H new ATOM 0 HB2 CYS A 22 -8.104 -12.543 -10.955 1.00 25.23 H new ATOM 0 HB3 CYS A 22 -7.626 -13.334 -9.467 1.00 25.23 H new ATOM 0 HG CYS A 22 -10.890 -13.069 -10.506 1.00 3.11 H new ATOM 338 N MET A 23 -7.013 -9.713 -9.976 1.00 14.24 N ATOM 339 CA MET A 23 -5.840 -8.795 -9.892 1.00 71.23 C ATOM 340 C MET A 23 -5.931 -7.942 -8.613 1.00 70.43 C ATOM 341 O MET A 23 -4.914 -7.575 -8.008 1.00 14.21 O ATOM 342 CB MET A 23 -5.755 -7.879 -11.144 1.00 10.32 C ATOM 343 CG MET A 23 -5.475 -8.611 -12.465 1.00 13.25 C ATOM 344 SD MET A 23 -5.542 -7.514 -13.902 1.00 31.31 S ATOM 345 CE MET A 23 -4.273 -6.302 -13.509 1.00 52.11 C ATOM 0 H MET A 23 -7.603 -9.554 -10.792 1.00 14.24 H new ATOM 0 HA MET A 23 -4.934 -9.400 -9.856 1.00 71.23 H new ATOM 0 HB2 MET A 23 -6.693 -7.333 -11.240 1.00 10.32 H new ATOM 0 HB3 MET A 23 -4.971 -7.140 -10.982 1.00 10.32 H new ATOM 0 HG2 MET A 23 -4.491 -9.077 -12.415 1.00 13.25 H new ATOM 0 HG3 MET A 23 -6.202 -9.413 -12.592 1.00 13.25 H new ATOM 0 HE1 MET A 23 -3.749 -6.015 -14.421 1.00 52.11 H new ATOM 0 HE2 MET A 23 -4.736 -5.421 -13.065 1.00 52.11 H new ATOM 0 HE3 MET A 23 -3.564 -6.734 -12.803 1.00 52.11 H new ATOM 355 N SER A 24 -7.178 -7.627 -8.231 1.00 55.32 N ATOM 356 CA SER A 24 -7.503 -7.121 -6.902 1.00 50.42 C ATOM 357 C SER A 24 -7.406 -8.293 -5.913 1.00 4.13 C ATOM 358 O SER A 24 -8.278 -9.163 -5.903 1.00 51.35 O ATOM 359 CB SER A 24 -8.923 -6.511 -6.900 1.00 34.14 C ATOM 360 OG SER A 24 -9.246 -5.970 -5.634 1.00 72.43 O ATOM 0 H SER A 24 -7.989 -7.719 -8.843 1.00 55.32 H new ATOM 0 HA SER A 24 -6.807 -6.335 -6.609 1.00 50.42 H new ATOM 0 HB2 SER A 24 -8.988 -5.731 -7.659 1.00 34.14 H new ATOM 0 HB3 SER A 24 -9.651 -7.277 -7.167 1.00 34.14 H new ATOM 0 HG SER A 24 -8.437 -5.922 -5.083 1.00 72.43 H new ATOM 366 N VAL A 25 -6.320 -8.335 -5.117 1.00 64.12 N ATOM 367 CA VAL A 25 -6.012 -9.492 -4.255 1.00 71.33 C ATOM 368 C VAL A 25 -7.073 -9.674 -3.149 1.00 50.05 C ATOM 369 O VAL A 25 -7.448 -10.805 -2.851 1.00 11.52 O ATOM 370 CB VAL A 25 -4.572 -9.390 -3.634 1.00 64.22 C ATOM 371 CG1 VAL A 25 -4.225 -10.625 -2.755 1.00 54.14 C ATOM 372 CG2 VAL A 25 -3.505 -9.168 -4.738 1.00 73.23 C ATOM 0 H VAL A 25 -5.639 -7.578 -5.053 1.00 64.12 H new ATOM 0 HA VAL A 25 -6.036 -10.376 -4.893 1.00 71.33 H new ATOM 0 HB VAL A 25 -4.565 -8.521 -2.976 1.00 64.22 H new ATOM 0 HG11 VAL A 25 -3.221 -10.511 -2.347 1.00 54.14 H new ATOM 0 HG12 VAL A 25 -4.942 -10.703 -1.938 1.00 54.14 H new ATOM 0 HG13 VAL A 25 -4.269 -11.528 -3.363 1.00 54.14 H new ATOM 0 HG21 VAL A 25 -2.518 -9.101 -4.281 1.00 73.23 H new ATOM 0 HG22 VAL A 25 -3.525 -10.004 -5.437 1.00 73.23 H new ATOM 0 HG23 VAL A 25 -3.721 -8.243 -5.272 1.00 73.23 H new ATOM 382 N THR A 26 -7.573 -8.558 -2.580 1.00 13.34 N ATOM 383 CA THR A 26 -8.630 -8.587 -1.541 1.00 72.35 C ATOM 384 C THR A 26 -9.928 -9.231 -2.073 1.00 63.34 C ATOM 385 O THR A 26 -10.485 -10.136 -1.433 1.00 63.04 O ATOM 386 CB THR A 26 -8.926 -7.153 -0.987 1.00 65.03 C ATOM 387 OG1 THR A 26 -7.738 -6.625 -0.380 1.00 50.34 O ATOM 388 CG2 THR A 26 -10.074 -7.117 0.044 1.00 71.12 C ATOM 0 H THR A 26 -7.261 -7.618 -2.823 1.00 13.34 H new ATOM 0 HA THR A 26 -8.255 -9.201 -0.722 1.00 72.35 H new ATOM 0 HB THR A 26 -9.241 -6.548 -1.837 1.00 65.03 H new ATOM 0 HG1 THR A 26 -7.900 -5.703 -0.091 1.00 50.34 H new ATOM 0 HG21 THR A 26 -10.224 -6.093 0.385 1.00 71.12 H new ATOM 0 HG22 THR A 26 -10.990 -7.484 -0.419 1.00 71.12 H new ATOM 0 HG23 THR A 26 -9.819 -7.749 0.895 1.00 71.12 H new ATOM 396 N ILE A 27 -10.377 -8.783 -3.261 1.00 75.22 N ATOM 397 CA ILE A 27 -11.597 -9.309 -3.902 1.00 31.14 C ATOM 398 C ILE A 27 -11.390 -10.783 -4.302 1.00 11.51 C ATOM 399 O ILE A 27 -12.286 -11.605 -4.117 1.00 13.44 O ATOM 400 CB ILE A 27 -12.004 -8.444 -5.151 1.00 13.11 C ATOM 401 CG1 ILE A 27 -12.263 -6.964 -4.717 1.00 73.14 C ATOM 402 CG2 ILE A 27 -13.239 -9.035 -5.887 1.00 0.41 C ATOM 403 CD1 ILE A 27 -12.571 -6.012 -5.857 1.00 22.54 C ATOM 0 H ILE A 27 -9.909 -8.053 -3.799 1.00 75.22 H new ATOM 0 HA ILE A 27 -12.414 -9.251 -3.182 1.00 31.14 H new ATOM 0 HB ILE A 27 -11.175 -8.463 -5.858 1.00 13.11 H new ATOM 0 HG12 ILE A 27 -13.095 -6.947 -4.013 1.00 73.14 H new ATOM 0 HG13 ILE A 27 -11.386 -6.598 -4.183 1.00 73.14 H new ATOM 0 HG21 ILE A 27 -13.487 -8.408 -6.743 1.00 0.41 H new ATOM 0 HG22 ILE A 27 -13.010 -10.044 -6.231 1.00 0.41 H new ATOM 0 HG23 ILE A 27 -14.088 -9.069 -5.204 1.00 0.41 H new ATOM 0 HD11 ILE A 27 -12.736 -5.010 -5.460 1.00 22.54 H new ATOM 0 HD12 ILE A 27 -11.732 -5.993 -6.552 1.00 22.54 H new ATOM 0 HD13 ILE A 27 -13.467 -6.347 -6.379 1.00 22.54 H new ATOM 415 N LYS A 28 -10.171 -11.100 -4.797 1.00 14.51 N ATOM 416 CA LYS A 28 -9.760 -12.472 -5.165 1.00 20.23 C ATOM 417 C LYS A 28 -9.902 -13.423 -3.969 1.00 21.11 C ATOM 418 O LYS A 28 -10.462 -14.509 -4.103 1.00 34.20 O ATOM 419 CB LYS A 28 -8.287 -12.484 -5.644 1.00 2.44 C ATOM 420 CG LYS A 28 -7.750 -13.872 -6.075 1.00 42.44 C ATOM 421 CD LYS A 28 -6.238 -13.866 -6.401 1.00 53.34 C ATOM 422 CE LYS A 28 -5.369 -13.402 -5.214 1.00 75.31 C ATOM 423 NZ LYS A 28 -5.542 -14.257 -4.005 1.00 40.44 N ATOM 0 H LYS A 28 -9.441 -10.405 -4.953 1.00 14.51 H new ATOM 0 HA LYS A 28 -10.411 -12.809 -5.972 1.00 20.23 H new ATOM 0 HB2 LYS A 28 -8.188 -11.796 -6.484 1.00 2.44 H new ATOM 0 HB3 LYS A 28 -7.657 -12.100 -4.842 1.00 2.44 H new ATOM 0 HG2 LYS A 28 -7.941 -14.591 -5.279 1.00 42.44 H new ATOM 0 HG3 LYS A 28 -8.303 -14.212 -6.951 1.00 42.44 H new ATOM 0 HD2 LYS A 28 -5.932 -14.869 -6.699 1.00 53.34 H new ATOM 0 HD3 LYS A 28 -6.058 -13.212 -7.254 1.00 53.34 H new ATOM 0 HE2 LYS A 28 -4.321 -13.409 -5.512 1.00 75.31 H new ATOM 0 HE3 LYS A 28 -5.622 -12.372 -4.965 1.00 75.31 H new ATOM 0 HZ1 LYS A 28 -5.906 -13.679 -3.220 1.00 40.44 H new ATOM 0 HZ2 LYS A 28 -6.216 -15.021 -4.214 1.00 40.44 H new ATOM 0 HZ3 LYS A 28 -4.625 -14.668 -3.736 1.00 40.44 H new ATOM 437 N ASN A 29 -9.401 -12.968 -2.800 1.00 13.42 N ATOM 438 CA ASN A 29 -9.424 -13.741 -1.547 1.00 4.20 C ATOM 439 C ASN A 29 -10.870 -14.040 -1.132 1.00 74.14 C ATOM 440 O ASN A 29 -11.186 -15.174 -0.775 1.00 12.50 O ATOM 441 CB ASN A 29 -8.679 -12.991 -0.407 1.00 65.43 C ATOM 442 CG ASN A 29 -7.170 -12.819 -0.649 1.00 63.52 C ATOM 443 OD1 ASN A 29 -6.531 -13.620 -1.339 1.00 3.41 O ATOM 444 ND2 ASN A 29 -6.586 -11.777 -0.073 1.00 72.21 N ATOM 0 H ASN A 29 -8.968 -12.050 -2.703 1.00 13.42 H new ATOM 0 HA ASN A 29 -8.905 -14.683 -1.724 1.00 4.20 H new ATOM 0 HB2 ASN A 29 -9.130 -12.007 -0.279 1.00 65.43 H new ATOM 0 HB3 ASN A 29 -8.827 -13.533 0.527 1.00 65.43 H new ATOM 0 HD21 ASN A 29 -5.585 -11.622 -0.195 1.00 72.21 H new ATOM 0 HD22 ASN A 29 -7.138 -11.131 0.492 1.00 72.21 H new ATOM 451 N MET A 30 -11.742 -13.011 -1.242 1.00 72.31 N ATOM 452 CA MET A 30 -13.184 -13.127 -0.942 1.00 71.52 C ATOM 453 C MET A 30 -13.840 -14.198 -1.834 1.00 52.50 C ATOM 454 O MET A 30 -14.569 -15.058 -1.335 1.00 31.31 O ATOM 455 CB MET A 30 -13.900 -11.759 -1.129 1.00 33.04 C ATOM 456 CG MET A 30 -13.473 -10.670 -0.134 1.00 3.30 C ATOM 457 SD MET A 30 -14.312 -9.096 -0.436 1.00 21.43 S ATOM 458 CE MET A 30 -13.679 -8.089 0.907 1.00 40.35 C ATOM 0 H MET A 30 -11.463 -12.077 -1.542 1.00 72.31 H new ATOM 0 HA MET A 30 -13.288 -13.430 0.100 1.00 71.52 H new ATOM 0 HB2 MET A 30 -13.712 -11.401 -2.141 1.00 33.04 H new ATOM 0 HB3 MET A 30 -14.976 -11.912 -1.040 1.00 33.04 H new ATOM 0 HG2 MET A 30 -13.687 -11.004 0.881 1.00 3.30 H new ATOM 0 HG3 MET A 30 -12.395 -10.523 -0.200 1.00 3.30 H new ATOM 0 HE1 MET A 30 -13.810 -7.035 0.664 1.00 40.35 H new ATOM 0 HE2 MET A 30 -14.223 -8.321 1.823 1.00 40.35 H new ATOM 0 HE3 MET A 30 -12.619 -8.299 1.051 1.00 40.35 H new ATOM 468 N ILE A 31 -13.523 -14.151 -3.146 1.00 5.41 N ATOM 469 CA ILE A 31 -14.017 -15.121 -4.147 1.00 33.12 C ATOM 470 C ILE A 31 -13.615 -16.559 -3.740 1.00 75.12 C ATOM 471 O ILE A 31 -14.456 -17.457 -3.706 1.00 64.14 O ATOM 472 CB ILE A 31 -13.470 -14.776 -5.595 1.00 21.42 C ATOM 473 CG1 ILE A 31 -14.007 -13.384 -6.077 1.00 73.43 C ATOM 474 CG2 ILE A 31 -13.813 -15.884 -6.622 1.00 25.21 C ATOM 475 CD1 ILE A 31 -13.443 -12.898 -7.411 1.00 4.32 C ATOM 0 H ILE A 31 -12.914 -13.435 -3.542 1.00 5.41 H new ATOM 0 HA ILE A 31 -15.105 -15.056 -4.178 1.00 33.12 H new ATOM 0 HB ILE A 31 -12.383 -14.722 -5.527 1.00 21.42 H new ATOM 0 HG12 ILE A 31 -15.093 -13.439 -6.158 1.00 73.43 H new ATOM 0 HG13 ILE A 31 -13.781 -12.641 -5.312 1.00 73.43 H new ATOM 0 HG21 ILE A 31 -13.420 -15.608 -7.600 1.00 25.21 H new ATOM 0 HG22 ILE A 31 -13.366 -16.826 -6.304 1.00 25.21 H new ATOM 0 HG23 ILE A 31 -14.895 -15.999 -6.685 1.00 25.21 H new ATOM 0 HD11 ILE A 31 -13.875 -11.928 -7.657 1.00 4.32 H new ATOM 0 HD12 ILE A 31 -12.360 -12.804 -7.335 1.00 4.32 H new ATOM 0 HD13 ILE A 31 -13.691 -13.615 -8.194 1.00 4.32 H new ATOM 487 N GLU A 32 -12.333 -16.725 -3.360 1.00 53.14 N ATOM 488 CA GLU A 32 -11.763 -18.029 -2.955 1.00 21.35 C ATOM 489 C GLU A 32 -12.448 -18.588 -1.691 1.00 4.23 C ATOM 490 O GLU A 32 -12.725 -19.791 -1.619 1.00 61.11 O ATOM 491 CB GLU A 32 -10.238 -17.893 -2.722 1.00 44.22 C ATOM 492 CG GLU A 32 -9.426 -17.525 -3.979 1.00 34.05 C ATOM 493 CD GLU A 32 -7.959 -17.233 -3.651 1.00 51.22 C ATOM 494 OE1 GLU A 32 -7.146 -18.180 -3.585 1.00 60.22 O ATOM 495 OE2 GLU A 32 -7.611 -16.059 -3.421 1.00 65.32 O ATOM 0 H GLU A 32 -11.661 -15.959 -3.325 1.00 53.14 H new ATOM 0 HA GLU A 32 -11.944 -18.735 -3.765 1.00 21.35 H new ATOM 0 HB2 GLU A 32 -10.067 -17.133 -1.960 1.00 44.22 H new ATOM 0 HB3 GLU A 32 -9.859 -18.834 -2.324 1.00 44.22 H new ATOM 0 HG2 GLU A 32 -9.481 -18.343 -4.698 1.00 34.05 H new ATOM 0 HG3 GLU A 32 -9.872 -16.652 -4.455 1.00 34.05 H new ATOM 502 N ASP A 33 -12.737 -17.701 -0.714 1.00 44.44 N ATOM 503 CA ASP A 33 -13.384 -18.091 0.563 1.00 4.42 C ATOM 504 C ASP A 33 -14.799 -18.626 0.321 1.00 11.11 C ATOM 505 O ASP A 33 -15.196 -19.646 0.891 1.00 72.03 O ATOM 506 CB ASP A 33 -13.455 -16.895 1.556 1.00 4.53 C ATOM 507 CG ASP A 33 -12.087 -16.448 2.078 1.00 12.33 C ATOM 508 OD1 ASP A 33 -11.336 -17.306 2.591 1.00 61.43 O ATOM 509 OD2 ASP A 33 -11.760 -15.247 2.003 1.00 12.21 O ATOM 0 H ASP A 33 -12.532 -16.704 -0.784 1.00 44.44 H new ATOM 0 HA ASP A 33 -12.770 -18.877 1.002 1.00 4.42 H new ATOM 0 HB2 ASP A 33 -13.939 -16.052 1.062 1.00 4.53 H new ATOM 0 HB3 ASP A 33 -14.084 -17.173 2.402 1.00 4.53 H new ATOM 514 N ILE A 34 -15.542 -17.922 -0.542 1.00 52.20 N ATOM 515 CA ILE A 34 -16.926 -18.283 -0.888 1.00 41.00 C ATOM 516 C ILE A 34 -16.951 -19.569 -1.757 1.00 13.34 C ATOM 517 O ILE A 34 -17.909 -20.352 -1.699 1.00 32.24 O ATOM 518 CB ILE A 34 -17.646 -17.089 -1.633 1.00 61.34 C ATOM 519 CG1 ILE A 34 -17.572 -15.774 -0.788 1.00 11.51 C ATOM 520 CG2 ILE A 34 -19.119 -17.439 -1.949 1.00 43.10 C ATOM 521 CD1 ILE A 34 -18.068 -14.525 -1.508 1.00 32.52 C ATOM 0 H ILE A 34 -15.203 -17.087 -1.020 1.00 52.20 H new ATOM 0 HA ILE A 34 -17.470 -18.483 0.035 1.00 41.00 H new ATOM 0 HB ILE A 34 -17.122 -16.924 -2.574 1.00 61.34 H new ATOM 0 HG12 ILE A 34 -18.158 -15.909 0.121 1.00 11.51 H new ATOM 0 HG13 ILE A 34 -16.539 -15.613 -0.481 1.00 11.51 H new ATOM 0 HG21 ILE A 34 -19.590 -16.600 -2.461 1.00 43.10 H new ATOM 0 HG22 ILE A 34 -19.154 -18.321 -2.588 1.00 43.10 H new ATOM 0 HG23 ILE A 34 -19.652 -17.643 -1.020 1.00 43.10 H new ATOM 0 HD11 ILE A 34 -17.979 -13.664 -0.846 1.00 32.52 H new ATOM 0 HD12 ILE A 34 -17.468 -14.358 -2.403 1.00 32.52 H new ATOM 0 HD13 ILE A 34 -19.112 -14.659 -1.791 1.00 32.52 H new ATOM 533 N GLY A 35 -15.869 -19.795 -2.526 1.00 30.40 N ATOM 534 CA GLY A 35 -15.777 -20.942 -3.443 1.00 40.03 C ATOM 535 C GLY A 35 -16.179 -20.582 -4.866 1.00 32.54 C ATOM 536 O GLY A 35 -16.588 -21.458 -5.632 1.00 60.52 O ATOM 0 H GLY A 35 -15.045 -19.195 -2.528 1.00 30.40 H new ATOM 0 HA2 GLY A 35 -14.756 -21.323 -3.442 1.00 40.03 H new ATOM 0 HA3 GLY A 35 -16.417 -21.746 -3.080 1.00 40.03 H new ATOM 540 N GLU A 36 -16.052 -19.277 -5.188 1.00 3.30 N ATOM 541 CA GLU A 36 -16.360 -18.680 -6.495 1.00 44.12 C ATOM 542 C GLU A 36 -17.873 -18.732 -6.785 1.00 74.34 C ATOM 543 O GLU A 36 -18.393 -19.721 -7.315 1.00 25.14 O ATOM 544 CB GLU A 36 -15.519 -19.317 -7.640 1.00 14.45 C ATOM 545 CG GLU A 36 -15.685 -18.630 -9.010 1.00 71.31 C ATOM 546 CD GLU A 36 -14.902 -19.342 -10.121 1.00 72.32 C ATOM 547 OE1 GLU A 36 -13.709 -19.024 -10.326 1.00 30.12 O ATOM 548 OE2 GLU A 36 -15.466 -20.241 -10.779 1.00 32.32 O ATOM 0 H GLU A 36 -15.719 -18.587 -4.514 1.00 3.30 H new ATOM 0 HA GLU A 36 -16.073 -17.629 -6.453 1.00 44.12 H new ATOM 0 HB2 GLU A 36 -14.466 -19.290 -7.359 1.00 14.45 H new ATOM 0 HB3 GLU A 36 -15.796 -20.367 -7.737 1.00 14.45 H new ATOM 0 HG2 GLU A 36 -16.742 -18.604 -9.274 1.00 71.31 H new ATOM 0 HG3 GLU A 36 -15.348 -17.596 -8.938 1.00 71.31 H new ATOM 555 N SER A 37 -18.573 -17.659 -6.410 1.00 43.10 N ATOM 556 CA SER A 37 -20.033 -17.554 -6.547 1.00 3.04 C ATOM 557 C SER A 37 -20.412 -16.564 -7.659 1.00 11.11 C ATOM 558 O SER A 37 -19.584 -15.762 -8.105 1.00 32.12 O ATOM 559 CB SER A 37 -20.626 -17.113 -5.198 1.00 24.42 C ATOM 560 OG SER A 37 -19.973 -15.941 -4.723 1.00 54.11 O ATOM 0 H SER A 37 -18.142 -16.831 -5.999 1.00 43.10 H new ATOM 0 HA SER A 37 -20.441 -18.526 -6.826 1.00 3.04 H new ATOM 0 HB2 SER A 37 -21.693 -16.922 -5.309 1.00 24.42 H new ATOM 0 HB3 SER A 37 -20.520 -17.916 -4.468 1.00 24.42 H new ATOM 0 HG SER A 37 -20.641 -15.252 -4.526 1.00 54.11 H new ATOM 566 N ASP A 38 -21.678 -16.650 -8.107 1.00 51.20 N ATOM 567 CA ASP A 38 -22.275 -15.706 -9.078 1.00 12.43 C ATOM 568 C ASP A 38 -22.694 -14.399 -8.370 1.00 54.33 C ATOM 569 O ASP A 38 -22.892 -13.369 -9.028 1.00 1.03 O ATOM 570 CB ASP A 38 -23.486 -16.402 -9.831 1.00 1.13 C ATOM 571 CG ASP A 38 -24.921 -15.868 -9.525 1.00 50.20 C ATOM 572 OD1 ASP A 38 -25.364 -15.869 -8.363 1.00 2.50 O ATOM 573 OD2 ASP A 38 -25.630 -15.477 -10.470 1.00 4.43 O ATOM 0 H ASP A 38 -22.322 -17.381 -7.805 1.00 51.20 H new ATOM 0 HA ASP A 38 -21.534 -15.436 -9.830 1.00 12.43 H new ATOM 0 HB2 ASP A 38 -23.314 -16.311 -10.903 1.00 1.13 H new ATOM 0 HB3 ASP A 38 -23.464 -17.466 -9.594 1.00 1.13 H new ATOM 578 N SER A 39 -22.831 -14.482 -7.023 1.00 1.10 N ATOM 579 CA SER A 39 -23.312 -13.382 -6.179 1.00 61.33 C ATOM 580 C SER A 39 -22.437 -12.111 -6.336 1.00 70.04 C ATOM 581 O SER A 39 -21.206 -12.189 -6.189 1.00 43.23 O ATOM 582 CB SER A 39 -23.354 -13.825 -4.694 1.00 42.22 C ATOM 583 OG SER A 39 -22.086 -14.255 -4.222 1.00 23.30 O ATOM 0 H SER A 39 -22.606 -15.326 -6.496 1.00 1.10 H new ATOM 0 HA SER A 39 -24.320 -13.130 -6.507 1.00 61.33 H new ATOM 0 HB2 SER A 39 -23.705 -12.996 -4.080 1.00 42.22 H new ATOM 0 HB3 SER A 39 -24.075 -14.634 -4.579 1.00 42.22 H new ATOM 0 HG SER A 39 -22.160 -14.523 -3.282 1.00 23.30 H new ATOM 589 N PRO A 40 -23.063 -10.933 -6.665 1.00 12.55 N ATOM 590 CA PRO A 40 -22.329 -9.665 -6.831 1.00 0.41 C ATOM 591 C PRO A 40 -21.791 -9.141 -5.482 1.00 12.51 C ATOM 592 O PRO A 40 -22.504 -9.177 -4.469 1.00 43.23 O ATOM 593 CB PRO A 40 -23.394 -8.721 -7.446 1.00 51.45 C ATOM 594 CG PRO A 40 -24.710 -9.253 -6.970 1.00 63.42 C ATOM 595 CD PRO A 40 -24.530 -10.753 -6.890 1.00 10.45 C ATOM 0 HA PRO A 40 -21.441 -9.759 -7.457 1.00 0.41 H new ATOM 0 HB2 PRO A 40 -23.244 -7.692 -7.120 1.00 51.45 H new ATOM 0 HB3 PRO A 40 -23.339 -8.721 -8.535 1.00 51.45 H new ATOM 0 HG2 PRO A 40 -24.974 -8.836 -5.998 1.00 63.42 H new ATOM 0 HG3 PRO A 40 -25.513 -8.990 -7.659 1.00 63.42 H new ATOM 0 HD2 PRO A 40 -25.114 -11.182 -6.075 1.00 10.45 H new ATOM 0 HD3 PRO A 40 -24.856 -11.243 -7.808 1.00 10.45 H new ATOM 603 N ILE A 41 -20.522 -8.693 -5.467 1.00 32.41 N ATOM 604 CA ILE A 41 -19.843 -8.248 -4.237 1.00 71.31 C ATOM 605 C ILE A 41 -19.698 -6.707 -4.251 1.00 13.21 C ATOM 606 O ILE A 41 -18.793 -6.175 -4.900 1.00 72.53 O ATOM 607 CB ILE A 41 -18.433 -8.953 -4.063 1.00 21.40 C ATOM 608 CG1 ILE A 41 -18.583 -10.517 -4.050 1.00 62.54 C ATOM 609 CG2 ILE A 41 -17.704 -8.454 -2.786 1.00 62.20 C ATOM 610 CD1 ILE A 41 -19.454 -11.085 -2.933 1.00 60.42 C ATOM 0 H ILE A 41 -19.941 -8.630 -6.303 1.00 32.41 H new ATOM 0 HA ILE A 41 -20.452 -8.539 -3.381 1.00 71.31 H new ATOM 0 HB ILE A 41 -17.820 -8.680 -4.922 1.00 21.40 H new ATOM 0 HG12 ILE A 41 -18.999 -10.832 -5.007 1.00 62.54 H new ATOM 0 HG13 ILE A 41 -17.590 -10.959 -3.973 1.00 62.54 H new ATOM 0 HG21 ILE A 41 -16.741 -8.957 -2.697 1.00 62.20 H new ATOM 0 HG22 ILE A 41 -17.546 -7.378 -2.854 1.00 62.20 H new ATOM 0 HG23 ILE A 41 -18.312 -8.677 -1.909 1.00 62.20 H new ATOM 0 HD11 ILE A 41 -19.490 -12.171 -3.017 1.00 60.42 H new ATOM 0 HD12 ILE A 41 -19.032 -10.809 -1.967 1.00 60.42 H new ATOM 0 HD13 ILE A 41 -20.463 -10.681 -3.017 1.00 60.42 H new ATOM 622 N PRO A 42 -20.626 -5.957 -3.570 1.00 62.43 N ATOM 623 CA PRO A 42 -20.518 -4.493 -3.443 1.00 41.43 C ATOM 624 C PRO A 42 -19.437 -4.081 -2.417 1.00 50.52 C ATOM 625 O PRO A 42 -19.373 -4.631 -1.311 1.00 13.02 O ATOM 626 CB PRO A 42 -21.935 -4.071 -2.978 1.00 21.45 C ATOM 627 CG PRO A 42 -22.457 -5.258 -2.226 1.00 32.22 C ATOM 628 CD PRO A 42 -21.860 -6.475 -2.905 1.00 32.14 C ATOM 0 HA PRO A 42 -20.213 -4.011 -4.372 1.00 41.43 H new ATOM 0 HB2 PRO A 42 -21.896 -3.186 -2.343 1.00 21.45 H new ATOM 0 HB3 PRO A 42 -22.574 -3.827 -3.827 1.00 21.45 H new ATOM 0 HG2 PRO A 42 -22.166 -5.214 -1.176 1.00 32.22 H new ATOM 0 HG3 PRO A 42 -23.546 -5.290 -2.254 1.00 32.22 H new ATOM 0 HD2 PRO A 42 -21.625 -7.258 -2.184 1.00 32.14 H new ATOM 0 HD3 PRO A 42 -22.551 -6.906 -3.629 1.00 32.14 H new ATOM 636 N LEU A 43 -18.565 -3.147 -2.814 1.00 15.24 N ATOM 637 CA LEU A 43 -17.577 -2.527 -1.921 1.00 13.32 C ATOM 638 C LEU A 43 -18.094 -1.119 -1.520 1.00 54.13 C ATOM 639 O LEU A 43 -17.918 -0.160 -2.282 1.00 24.01 O ATOM 640 CB LEU A 43 -16.171 -2.437 -2.603 1.00 63.41 C ATOM 641 CG LEU A 43 -15.485 -3.785 -3.046 1.00 1.43 C ATOM 642 CD1 LEU A 43 -15.495 -4.838 -1.916 1.00 53.55 C ATOM 643 CD2 LEU A 43 -16.086 -4.338 -4.361 1.00 22.45 C ATOM 0 H LEU A 43 -18.524 -2.797 -3.771 1.00 15.24 H new ATOM 0 HA LEU A 43 -17.455 -3.143 -1.030 1.00 13.32 H new ATOM 0 HB2 LEU A 43 -16.266 -1.803 -3.485 1.00 63.41 H new ATOM 0 HB3 LEU A 43 -15.496 -1.927 -1.915 1.00 63.41 H new ATOM 0 HG LEU A 43 -14.440 -3.554 -3.251 1.00 1.43 H new ATOM 0 HD11 LEU A 43 -15.012 -5.751 -2.265 1.00 53.55 H new ATOM 0 HD12 LEU A 43 -14.955 -4.450 -1.052 1.00 53.55 H new ATOM 0 HD13 LEU A 43 -16.524 -5.058 -1.632 1.00 53.55 H new ATOM 0 HD21 LEU A 43 -15.583 -5.267 -4.628 1.00 22.45 H new ATOM 0 HD22 LEU A 43 -17.150 -4.528 -4.223 1.00 22.45 H new ATOM 0 HD23 LEU A 43 -15.948 -3.609 -5.159 1.00 22.45 H new ATOM 655 N PRO A 44 -18.765 -0.979 -0.324 1.00 53.11 N ATOM 656 CA PRO A 44 -19.400 0.300 0.101 1.00 45.20 C ATOM 657 C PRO A 44 -18.385 1.353 0.604 1.00 41.35 C ATOM 658 O PRO A 44 -18.748 2.511 0.828 1.00 52.20 O ATOM 659 CB PRO A 44 -20.361 -0.157 1.224 1.00 52.30 C ATOM 660 CG PRO A 44 -19.677 -1.341 1.845 1.00 21.14 C ATOM 661 CD PRO A 44 -18.962 -2.050 0.706 1.00 4.22 C ATOM 0 HA PRO A 44 -19.897 0.810 -0.724 1.00 45.20 H new ATOM 0 HB2 PRO A 44 -20.524 0.636 1.954 1.00 52.30 H new ATOM 0 HB3 PRO A 44 -21.338 -0.428 0.824 1.00 52.30 H new ATOM 0 HG2 PRO A 44 -18.972 -1.026 2.614 1.00 21.14 H new ATOM 0 HG3 PRO A 44 -20.398 -2.002 2.326 1.00 21.14 H new ATOM 0 HD2 PRO A 44 -18.010 -2.469 1.032 1.00 4.22 H new ATOM 0 HD3 PRO A 44 -19.556 -2.875 0.314 1.00 4.22 H new ATOM 669 N ASN A 45 -17.123 0.927 0.780 1.00 43.54 N ATOM 670 CA ASN A 45 -16.011 1.807 1.185 1.00 53.32 C ATOM 671 C ASN A 45 -15.634 2.762 0.038 1.00 63.24 C ATOM 672 O ASN A 45 -15.583 3.987 0.216 1.00 51.42 O ATOM 673 CB ASN A 45 -14.790 0.933 1.601 1.00 31.12 C ATOM 674 CG ASN A 45 -13.508 1.738 1.875 1.00 3.00 C ATOM 675 OD1 ASN A 45 -12.678 1.940 0.984 1.00 4.43 O ATOM 676 ND2 ASN A 45 -13.339 2.202 3.105 1.00 34.23 N ATOM 0 H ASN A 45 -16.843 -0.044 0.645 1.00 43.54 H new ATOM 0 HA ASN A 45 -16.321 2.414 2.036 1.00 53.32 H new ATOM 0 HB2 ASN A 45 -15.049 0.367 2.496 1.00 31.12 H new ATOM 0 HB3 ASN A 45 -14.590 0.208 0.812 1.00 31.12 H new ATOM 0 HD21 ASN A 45 -12.505 2.742 3.336 1.00 34.23 H new ATOM 0 HD22 ASN A 45 -14.043 2.019 3.820 1.00 34.23 H new ATOM 683 N VAL A 46 -15.393 2.179 -1.146 1.00 15.21 N ATOM 684 CA VAL A 46 -14.905 2.910 -2.322 1.00 24.13 C ATOM 685 C VAL A 46 -16.098 3.434 -3.153 1.00 53.22 C ATOM 686 O VAL A 46 -17.083 2.717 -3.366 1.00 21.14 O ATOM 687 CB VAL A 46 -13.943 2.004 -3.188 1.00 1.03 C ATOM 688 CG1 VAL A 46 -14.648 0.729 -3.704 1.00 31.02 C ATOM 689 CG2 VAL A 46 -13.291 2.805 -4.338 1.00 32.23 C ATOM 0 H VAL A 46 -15.532 1.183 -1.314 1.00 15.21 H new ATOM 0 HA VAL A 46 -14.324 3.769 -1.988 1.00 24.13 H new ATOM 0 HB VAL A 46 -13.142 1.672 -2.528 1.00 1.03 H new ATOM 0 HG11 VAL A 46 -13.947 0.139 -4.294 1.00 31.02 H new ATOM 0 HG12 VAL A 46 -14.997 0.138 -2.857 1.00 31.02 H new ATOM 0 HG13 VAL A 46 -15.498 1.010 -4.326 1.00 31.02 H new ATOM 0 HG21 VAL A 46 -12.636 2.150 -4.912 1.00 32.23 H new ATOM 0 HG22 VAL A 46 -14.068 3.203 -4.990 1.00 32.23 H new ATOM 0 HG23 VAL A 46 -12.708 3.628 -3.924 1.00 32.23 H new ATOM 699 N THR A 47 -16.006 4.699 -3.593 1.00 70.44 N ATOM 700 CA THR A 47 -17.066 5.366 -4.370 1.00 10.41 C ATOM 701 C THR A 47 -17.030 4.929 -5.844 1.00 43.15 C ATOM 702 O THR A 47 -16.098 4.244 -6.259 1.00 31.23 O ATOM 703 CB THR A 47 -16.923 6.913 -4.260 1.00 50.30 C ATOM 704 OG1 THR A 47 -15.598 7.307 -4.655 1.00 31.14 O ATOM 705 CG2 THR A 47 -17.213 7.410 -2.830 1.00 20.41 C ATOM 0 H THR A 47 -15.193 5.290 -3.420 1.00 70.44 H new ATOM 0 HA THR A 47 -18.029 5.070 -3.954 1.00 10.41 H new ATOM 0 HB THR A 47 -17.657 7.367 -4.926 1.00 50.30 H new ATOM 0 HG1 THR A 47 -15.512 8.281 -4.586 1.00 31.14 H new ATOM 0 HG21 THR A 47 -17.103 8.494 -2.792 1.00 20.41 H new ATOM 0 HG22 THR A 47 -18.231 7.138 -2.550 1.00 20.41 H new ATOM 0 HG23 THR A 47 -16.510 6.950 -2.135 1.00 20.41 H new ATOM 713 N SER A 48 -18.042 5.351 -6.624 1.00 33.14 N ATOM 714 CA SER A 48 -18.228 4.918 -8.017 1.00 64.31 C ATOM 715 C SER A 48 -17.097 5.392 -8.929 1.00 63.25 C ATOM 716 O SER A 48 -16.543 4.594 -9.676 1.00 43.44 O ATOM 717 CB SER A 48 -19.587 5.419 -8.537 1.00 72.30 C ATOM 718 OG SER A 48 -19.723 6.825 -8.386 1.00 23.35 O ATOM 0 H SER A 48 -18.756 6.005 -6.302 1.00 33.14 H new ATOM 0 HA SER A 48 -18.209 3.828 -8.032 1.00 64.31 H new ATOM 0 HB2 SER A 48 -19.694 5.154 -9.589 1.00 72.30 H new ATOM 0 HB3 SER A 48 -20.390 4.916 -7.999 1.00 72.30 H new ATOM 0 HG SER A 48 -20.597 7.108 -8.728 1.00 23.35 H new ATOM 724 N THR A 49 -16.757 6.688 -8.836 1.00 12.43 N ATOM 725 CA THR A 49 -15.720 7.310 -9.670 1.00 51.33 C ATOM 726 C THR A 49 -14.334 6.692 -9.393 1.00 30.14 C ATOM 727 O THR A 49 -13.610 6.346 -10.330 1.00 54.42 O ATOM 728 CB THR A 49 -15.693 8.855 -9.437 1.00 34.50 C ATOM 729 OG1 THR A 49 -16.983 9.406 -9.759 1.00 44.14 O ATOM 730 CG2 THR A 49 -14.607 9.572 -10.267 1.00 63.52 C ATOM 0 H THR A 49 -17.195 7.333 -8.179 1.00 12.43 H new ATOM 0 HA THR A 49 -15.965 7.118 -10.715 1.00 51.33 H new ATOM 0 HB THR A 49 -15.451 9.018 -8.387 1.00 34.50 H new ATOM 0 HG1 THR A 49 -16.971 10.375 -9.612 1.00 44.14 H new ATOM 0 HG21 THR A 49 -14.639 10.642 -10.061 1.00 63.52 H new ATOM 0 HG22 THR A 49 -13.626 9.180 -9.999 1.00 63.52 H new ATOM 0 HG23 THR A 49 -14.788 9.401 -11.328 1.00 63.52 H new ATOM 738 N ILE A 50 -13.996 6.519 -8.100 1.00 71.51 N ATOM 739 CA ILE A 50 -12.684 5.991 -7.690 1.00 50.01 C ATOM 740 C ILE A 50 -12.577 4.495 -8.045 1.00 32.12 C ATOM 741 O ILE A 50 -11.568 4.073 -8.602 1.00 50.20 O ATOM 742 CB ILE A 50 -12.407 6.230 -6.156 1.00 25.44 C ATOM 743 CG1 ILE A 50 -12.482 7.753 -5.815 1.00 23.43 C ATOM 744 CG2 ILE A 50 -11.044 5.637 -5.716 1.00 41.24 C ATOM 745 CD1 ILE A 50 -11.499 8.643 -6.572 1.00 3.35 C ATOM 0 H ILE A 50 -14.617 6.739 -7.321 1.00 71.51 H new ATOM 0 HA ILE A 50 -11.918 6.537 -8.240 1.00 50.01 H new ATOM 0 HB ILE A 50 -13.184 5.708 -5.598 1.00 25.44 H new ATOM 0 HG12 ILE A 50 -13.494 8.104 -6.018 1.00 23.43 H new ATOM 0 HG13 ILE A 50 -12.310 7.878 -4.746 1.00 23.43 H new ATOM 0 HG21 ILE A 50 -10.892 5.823 -4.653 1.00 41.24 H new ATOM 0 HG22 ILE A 50 -11.038 4.563 -5.901 1.00 41.24 H new ATOM 0 HG23 ILE A 50 -10.242 6.107 -6.285 1.00 41.24 H new ATOM 0 HD11 ILE A 50 -11.634 9.679 -6.262 1.00 3.35 H new ATOM 0 HD12 ILE A 50 -10.479 8.328 -6.352 1.00 3.35 H new ATOM 0 HD13 ILE A 50 -11.682 8.558 -7.643 1.00 3.35 H new ATOM 757 N LEU A 51 -13.650 3.718 -7.763 1.00 73.22 N ATOM 758 CA LEU A 51 -13.705 2.270 -8.078 1.00 52.43 C ATOM 759 C LEU A 51 -13.593 2.049 -9.592 1.00 51.42 C ATOM 760 O LEU A 51 -12.887 1.143 -10.034 1.00 15.44 O ATOM 761 CB LEU A 51 -15.014 1.614 -7.541 1.00 45.11 C ATOM 762 CG LEU A 51 -15.174 0.073 -7.781 1.00 75.12 C ATOM 763 CD1 LEU A 51 -14.003 -0.730 -7.170 1.00 43.11 C ATOM 764 CD2 LEU A 51 -16.538 -0.436 -7.255 1.00 72.15 C ATOM 0 H LEU A 51 -14.495 4.073 -7.315 1.00 73.22 H new ATOM 0 HA LEU A 51 -12.861 1.793 -7.580 1.00 52.43 H new ATOM 0 HB2 LEU A 51 -15.074 1.800 -6.469 1.00 45.11 H new ATOM 0 HB3 LEU A 51 -15.863 2.121 -8.000 1.00 45.11 H new ATOM 0 HG LEU A 51 -15.148 -0.090 -8.858 1.00 75.12 H new ATOM 0 HD11 LEU A 51 -14.153 -1.793 -7.359 1.00 43.11 H new ATOM 0 HD12 LEU A 51 -13.066 -0.409 -7.625 1.00 43.11 H new ATOM 0 HD13 LEU A 51 -13.963 -0.555 -6.095 1.00 43.11 H new ATOM 0 HD21 LEU A 51 -16.620 -1.508 -7.435 1.00 72.15 H new ATOM 0 HD22 LEU A 51 -16.611 -0.241 -6.185 1.00 72.15 H new ATOM 0 HD23 LEU A 51 -17.344 0.082 -7.774 1.00 72.15 H new ATOM 776 N GLU A 52 -14.273 2.920 -10.369 1.00 1.11 N ATOM 777 CA GLU A 52 -14.253 2.879 -11.839 1.00 62.34 C ATOM 778 C GLU A 52 -12.824 3.032 -12.357 1.00 12.43 C ATOM 779 O GLU A 52 -12.368 2.222 -13.158 1.00 54.23 O ATOM 780 CB GLU A 52 -15.135 4.004 -12.434 1.00 61.11 C ATOM 781 CG GLU A 52 -15.188 4.010 -13.975 1.00 32.23 C ATOM 782 CD GLU A 52 -16.130 5.077 -14.536 1.00 62.44 C ATOM 783 OE1 GLU A 52 -15.671 6.193 -14.856 1.00 32.03 O ATOM 784 OE2 GLU A 52 -17.341 4.807 -14.652 1.00 14.14 O ATOM 0 H GLU A 52 -14.850 3.670 -9.990 1.00 1.11 H new ATOM 0 HA GLU A 52 -14.651 1.913 -12.151 1.00 62.34 H new ATOM 0 HB2 GLU A 52 -16.148 3.901 -12.046 1.00 61.11 H new ATOM 0 HB3 GLU A 52 -14.759 4.967 -12.090 1.00 61.11 H new ATOM 0 HG2 GLU A 52 -14.185 4.176 -14.367 1.00 32.23 H new ATOM 0 HG3 GLU A 52 -15.509 3.029 -14.326 1.00 32.23 H new ATOM 791 N LYS A 53 -12.130 4.065 -11.843 1.00 41.10 N ATOM 792 CA LYS A 53 -10.772 4.424 -12.276 1.00 41.11 C ATOM 793 C LYS A 53 -9.747 3.351 -11.893 1.00 64.31 C ATOM 794 O LYS A 53 -8.869 3.020 -12.694 1.00 12.42 O ATOM 795 CB LYS A 53 -10.361 5.795 -11.686 1.00 50.03 C ATOM 796 CG LYS A 53 -11.143 6.994 -12.261 1.00 14.03 C ATOM 797 CD LYS A 53 -10.602 8.351 -11.765 1.00 52.34 C ATOM 798 CE LYS A 53 -9.119 8.575 -12.122 1.00 13.32 C ATOM 799 NZ LYS A 53 -8.673 9.947 -11.799 1.00 3.02 N ATOM 0 H LYS A 53 -12.499 4.674 -11.113 1.00 41.10 H new ATOM 0 HA LYS A 53 -10.784 4.493 -13.364 1.00 41.11 H new ATOM 0 HB2 LYS A 53 -10.502 5.769 -10.605 1.00 50.03 H new ATOM 0 HB3 LYS A 53 -9.297 5.950 -11.865 1.00 50.03 H new ATOM 0 HG2 LYS A 53 -11.096 6.965 -13.350 1.00 14.03 H new ATOM 0 HG3 LYS A 53 -12.194 6.903 -11.985 1.00 14.03 H new ATOM 0 HD2 LYS A 53 -11.199 9.154 -12.197 1.00 52.34 H new ATOM 0 HD3 LYS A 53 -10.723 8.411 -10.683 1.00 52.34 H new ATOM 0 HE2 LYS A 53 -8.503 7.857 -11.581 1.00 13.32 H new ATOM 0 HE3 LYS A 53 -8.969 8.386 -13.185 1.00 13.32 H new ATOM 0 HZ1 LYS A 53 -7.639 10.007 -11.894 1.00 3.02 H new ATOM 0 HZ2 LYS A 53 -9.120 10.620 -12.453 1.00 3.02 H new ATOM 0 HZ3 LYS A 53 -8.945 10.180 -10.823 1.00 3.02 H new ATOM 813 N VAL A 54 -9.861 2.818 -10.668 1.00 43.21 N ATOM 814 CA VAL A 54 -8.934 1.796 -10.156 1.00 21.20 C ATOM 815 C VAL A 54 -9.112 0.474 -10.953 1.00 62.44 C ATOM 816 O VAL A 54 -8.121 -0.185 -11.292 1.00 2.14 O ATOM 817 CB VAL A 54 -9.115 1.585 -8.600 1.00 32.01 C ATOM 818 CG1 VAL A 54 -8.239 0.431 -8.070 1.00 14.11 C ATOM 819 CG2 VAL A 54 -8.794 2.896 -7.827 1.00 73.34 C ATOM 0 H VAL A 54 -10.593 3.080 -10.008 1.00 43.21 H new ATOM 0 HA VAL A 54 -7.911 2.141 -10.303 1.00 21.20 H new ATOM 0 HB VAL A 54 -10.158 1.317 -8.431 1.00 32.01 H new ATOM 0 HG11 VAL A 54 -8.394 0.320 -6.997 1.00 14.11 H new ATOM 0 HG12 VAL A 54 -8.514 -0.496 -8.574 1.00 14.11 H new ATOM 0 HG13 VAL A 54 -7.189 0.652 -8.264 1.00 14.11 H new ATOM 0 HG21 VAL A 54 -8.925 2.729 -6.758 1.00 73.34 H new ATOM 0 HG22 VAL A 54 -7.764 3.192 -8.025 1.00 73.34 H new ATOM 0 HG23 VAL A 54 -9.468 3.687 -8.156 1.00 73.34 H new ATOM 829 N LEU A 55 -10.379 0.135 -11.301 1.00 62.40 N ATOM 830 CA LEU A 55 -10.691 -1.021 -12.175 1.00 53.41 C ATOM 831 C LEU A 55 -10.282 -0.739 -13.635 1.00 22.22 C ATOM 832 O LEU A 55 -9.931 -1.665 -14.357 1.00 41.43 O ATOM 833 CB LEU A 55 -12.209 -1.392 -12.123 1.00 31.12 C ATOM 834 CG LEU A 55 -12.742 -1.967 -10.771 1.00 72.20 C ATOM 835 CD1 LEU A 55 -14.260 -2.256 -10.853 1.00 32.40 C ATOM 836 CD2 LEU A 55 -11.945 -3.221 -10.334 1.00 12.23 C ATOM 0 H LEU A 55 -11.203 0.649 -10.988 1.00 62.40 H new ATOM 0 HA LEU A 55 -10.114 -1.866 -11.798 1.00 53.41 H new ATOM 0 HB2 LEU A 55 -12.786 -0.500 -12.365 1.00 31.12 H new ATOM 0 HB3 LEU A 55 -12.408 -2.123 -12.907 1.00 31.12 H new ATOM 0 HG LEU A 55 -12.591 -1.208 -10.003 1.00 72.20 H new ATOM 0 HD11 LEU A 55 -14.606 -2.655 -9.900 1.00 32.40 H new ATOM 0 HD12 LEU A 55 -14.795 -1.333 -11.075 1.00 32.40 H new ATOM 0 HD13 LEU A 55 -14.450 -2.984 -11.642 1.00 32.40 H new ATOM 0 HD21 LEU A 55 -12.343 -3.594 -9.390 1.00 12.23 H new ATOM 0 HD22 LEU A 55 -12.036 -3.994 -11.097 1.00 12.23 H new ATOM 0 HD23 LEU A 55 -10.895 -2.959 -10.207 1.00 12.23 H new ATOM 848 N ASP A 56 -10.328 0.547 -14.042 1.00 22.11 N ATOM 849 CA ASP A 56 -10.000 0.987 -15.422 1.00 63.31 C ATOM 850 C ASP A 56 -8.486 0.859 -15.663 1.00 31.43 C ATOM 851 O ASP A 56 -8.046 0.510 -16.768 1.00 24.44 O ATOM 852 CB ASP A 56 -10.482 2.454 -15.661 1.00 63.23 C ATOM 853 CG ASP A 56 -10.456 2.931 -17.131 1.00 53.31 C ATOM 854 OD1 ASP A 56 -10.435 4.160 -17.369 1.00 62.41 O ATOM 855 OD2 ASP A 56 -10.497 2.092 -18.057 1.00 55.31 O ATOM 0 H ASP A 56 -10.594 1.314 -13.424 1.00 22.11 H new ATOM 0 HA ASP A 56 -10.521 0.346 -16.132 1.00 63.31 H new ATOM 0 HB2 ASP A 56 -11.500 2.549 -15.284 1.00 63.23 H new ATOM 0 HB3 ASP A 56 -9.859 3.124 -15.069 1.00 63.23 H new ATOM 860 N TYR A 57 -7.699 1.139 -14.603 1.00 3.42 N ATOM 861 CA TYR A 57 -6.256 0.880 -14.592 1.00 33.22 C ATOM 862 C TYR A 57 -5.999 -0.637 -14.596 1.00 63.21 C ATOM 863 O TYR A 57 -5.085 -1.102 -15.273 1.00 54.03 O ATOM 864 CB TYR A 57 -5.550 1.528 -13.362 1.00 71.12 C ATOM 865 CG TYR A 57 -4.087 1.051 -13.192 1.00 71.11 C ATOM 866 CD1 TYR A 57 -3.039 1.631 -13.912 1.00 4.20 C ATOM 867 CD2 TYR A 57 -3.776 -0.030 -12.355 1.00 20.05 C ATOM 868 CE1 TYR A 57 -1.747 1.145 -13.802 1.00 71.15 C ATOM 869 CE2 TYR A 57 -2.492 -0.502 -12.244 1.00 0.21 C ATOM 870 CZ TYR A 57 -1.481 0.083 -12.966 1.00 40.52 C ATOM 871 OH TYR A 57 -0.197 -0.412 -12.861 1.00 3.33 O ATOM 0 H TYR A 57 -8.050 1.549 -13.738 1.00 3.42 H new ATOM 0 HA TYR A 57 -5.836 1.334 -15.490 1.00 33.22 H new ATOM 0 HB2 TYR A 57 -5.564 2.613 -13.470 1.00 71.12 H new ATOM 0 HB3 TYR A 57 -6.112 1.291 -12.459 1.00 71.12 H new ATOM 0 HD1 TYR A 57 -3.239 2.469 -14.563 1.00 4.20 H new ATOM 0 HD2 TYR A 57 -4.563 -0.501 -11.786 1.00 20.05 H new ATOM 0 HE1 TYR A 57 -0.949 1.598 -14.371 1.00 71.15 H new ATOM 0 HE2 TYR A 57 -2.277 -1.333 -11.589 1.00 0.21 H new ATOM 0 HH TYR A 57 0.117 -0.314 -11.938 1.00 3.33 H new ATOM 881 N CYS A 58 -6.764 -1.388 -13.782 1.00 12.11 N ATOM 882 CA CYS A 58 -6.622 -2.851 -13.695 1.00 52.21 C ATOM 883 C CYS A 58 -6.925 -3.519 -15.056 1.00 23.43 C ATOM 884 O CYS A 58 -6.337 -4.543 -15.380 1.00 72.53 O ATOM 885 CB CYS A 58 -7.510 -3.420 -12.570 1.00 52.33 C ATOM 886 SG CYS A 58 -7.048 -2.850 -10.927 1.00 44.21 S ATOM 0 H CYS A 58 -7.488 -1.004 -13.175 1.00 12.11 H new ATOM 0 HA CYS A 58 -5.586 -3.081 -13.445 1.00 52.21 H new ATOM 0 HB2 CYS A 58 -8.547 -3.144 -12.763 1.00 52.33 H new ATOM 0 HB3 CYS A 58 -7.460 -4.509 -12.595 1.00 52.33 H new ATOM 0 HG CYS A 58 -7.240 -1.567 -10.843 1.00 44.21 H new ATOM 892 N ARG A 59 -7.833 -2.900 -15.843 1.00 2.21 N ATOM 893 CA ARG A 59 -8.117 -3.292 -17.240 1.00 10.11 C ATOM 894 C ARG A 59 -6.880 -3.026 -18.118 1.00 13.45 C ATOM 895 O ARG A 59 -6.438 -3.896 -18.860 1.00 41.43 O ATOM 896 CB ARG A 59 -9.328 -2.497 -17.793 1.00 33.22 C ATOM 897 CG ARG A 59 -10.692 -2.875 -17.189 1.00 72.03 C ATOM 898 CD ARG A 59 -11.814 -1.926 -17.640 1.00 53.02 C ATOM 899 NE ARG A 59 -11.882 -1.799 -19.114 1.00 1.22 N ATOM 900 CZ ARG A 59 -12.955 -2.060 -19.862 1.00 54.31 C ATOM 901 NH1 ARG A 59 -14.088 -2.477 -19.305 1.00 33.22 N ATOM 902 NH2 ARG A 59 -12.905 -1.881 -21.174 1.00 24.31 N ATOM 0 H ARG A 59 -8.393 -2.109 -15.524 1.00 2.21 H new ATOM 0 HA ARG A 59 -8.357 -4.355 -17.260 1.00 10.11 H new ATOM 0 HB2 ARG A 59 -9.154 -1.435 -17.620 1.00 33.22 H new ATOM 0 HB3 ARG A 59 -9.374 -2.641 -18.872 1.00 33.22 H new ATOM 0 HG2 ARG A 59 -10.944 -3.895 -17.478 1.00 72.03 H new ATOM 0 HG3 ARG A 59 -10.622 -2.860 -16.101 1.00 72.03 H new ATOM 0 HD2 ARG A 59 -12.770 -2.292 -17.264 1.00 53.02 H new ATOM 0 HD3 ARG A 59 -11.654 -0.942 -17.199 1.00 53.02 H new ATOM 0 HE ARG A 59 -11.039 -1.486 -19.597 1.00 1.22 H new ATOM 0 HH11 ARG A 59 -14.144 -2.601 -18.294 1.00 33.22 H new ATOM 0 HH12 ARG A 59 -14.901 -2.673 -19.889 1.00 33.22 H new ATOM 0 HH21 ARG A 59 -12.047 -1.544 -21.610 1.00 24.31 H new ATOM 0 HH22 ARG A 59 -13.725 -2.080 -21.747 1.00 24.31 H new ATOM 916 N HIS A 60 -6.338 -1.803 -17.986 1.00 1.14 N ATOM 917 CA HIS A 60 -5.127 -1.343 -18.698 1.00 73.12 C ATOM 918 C HIS A 60 -3.931 -2.297 -18.473 1.00 71.15 C ATOM 919 O HIS A 60 -3.251 -2.697 -19.428 1.00 42.42 O ATOM 920 CB HIS A 60 -4.805 0.106 -18.217 1.00 12.40 C ATOM 921 CG HIS A 60 -3.461 0.649 -18.607 1.00 60.01 C ATOM 922 ND1 HIS A 60 -3.177 1.121 -19.866 1.00 50.12 N ATOM 923 CD2 HIS A 60 -2.334 0.835 -17.876 1.00 41.31 C ATOM 924 CE1 HIS A 60 -1.938 1.562 -19.897 1.00 51.31 C ATOM 925 NE2 HIS A 60 -1.409 1.405 -18.702 1.00 3.13 N ATOM 0 H HIS A 60 -6.734 -1.092 -17.371 1.00 1.14 H new ATOM 0 HA HIS A 60 -5.311 -1.344 -19.772 1.00 73.12 H new ATOM 0 HB2 HIS A 60 -5.572 0.775 -18.608 1.00 12.40 H new ATOM 0 HB3 HIS A 60 -4.883 0.132 -17.130 1.00 12.40 H new ATOM 0 HD1 HIS A 60 -3.825 1.128 -20.653 1.00 50.12 H new ATOM 0 HD2 HIS A 60 -2.195 0.580 -16.836 1.00 41.31 H new ATOM 0 HE1 HIS A 60 -1.439 1.982 -20.758 1.00 51.31 H new ATOM 934 N HIS A 61 -3.718 -2.674 -17.202 1.00 14.05 N ATOM 935 CA HIS A 61 -2.587 -3.522 -16.780 1.00 70.24 C ATOM 936 C HIS A 61 -2.877 -5.017 -17.065 1.00 10.51 C ATOM 937 O HIS A 61 -1.971 -5.853 -17.019 1.00 63.43 O ATOM 938 CB HIS A 61 -2.276 -3.297 -15.274 1.00 34.24 C ATOM 939 CG HIS A 61 -0.892 -3.738 -14.859 1.00 43.15 C ATOM 940 ND1 HIS A 61 -0.601 -5.008 -14.404 1.00 32.01 N ATOM 941 CD2 HIS A 61 0.287 -3.070 -14.865 1.00 72.01 C ATOM 942 CE1 HIS A 61 0.688 -5.090 -14.139 1.00 44.12 C ATOM 943 NE2 HIS A 61 1.252 -3.932 -14.416 1.00 43.35 N ATOM 0 H HIS A 61 -4.328 -2.398 -16.432 1.00 14.05 H new ATOM 0 HA HIS A 61 -1.710 -3.236 -17.361 1.00 70.24 H new ATOM 0 HB2 HIS A 61 -2.393 -2.238 -15.044 1.00 34.24 H new ATOM 0 HB3 HIS A 61 -3.012 -3.836 -14.677 1.00 34.24 H new ATOM 0 HD2 HIS A 61 0.438 -2.045 -15.169 1.00 72.01 H new ATOM 0 HE1 HIS A 61 1.198 -5.963 -13.758 1.00 44.12 H new ATOM 0 HE2 HIS A 61 2.243 -3.714 -14.313 1.00 43.35 H new ATOM 952 N HIS A 62 -4.159 -5.339 -17.318 1.00 74.13 N ATOM 953 CA HIS A 62 -4.602 -6.704 -17.661 1.00 24.42 C ATOM 954 C HIS A 62 -4.314 -6.993 -19.137 1.00 65.20 C ATOM 955 O HIS A 62 -3.777 -8.048 -19.485 1.00 30.41 O ATOM 956 CB HIS A 62 -6.117 -6.841 -17.383 1.00 65.14 C ATOM 957 CG HIS A 62 -6.675 -8.225 -17.527 1.00 61.22 C ATOM 958 ND1 HIS A 62 -6.735 -9.102 -16.476 1.00 52.41 N ATOM 959 CD2 HIS A 62 -7.250 -8.865 -18.574 1.00 62.42 C ATOM 960 CE1 HIS A 62 -7.326 -10.202 -16.867 1.00 52.42 C ATOM 961 NE2 HIS A 62 -7.647 -10.090 -18.131 1.00 4.42 N ATOM 0 H HIS A 62 -4.919 -4.659 -17.290 1.00 74.13 H new ATOM 0 HA HIS A 62 -4.057 -7.423 -17.049 1.00 24.42 H new ATOM 0 HB2 HIS A 62 -6.316 -6.491 -16.370 1.00 65.14 H new ATOM 0 HB3 HIS A 62 -6.655 -6.178 -18.061 1.00 65.14 H new ATOM 0 HD1 HIS A 62 -6.376 -8.925 -15.538 1.00 52.41 H new ATOM 0 HD2 HIS A 62 -7.371 -8.476 -19.574 1.00 62.42 H new ATOM 0 HE1 HIS A 62 -7.518 -11.064 -16.246 1.00 52.42 H new ATOM 970 N GLN A 63 -4.690 -6.031 -19.995 1.00 63.45 N ATOM 971 CA GLN A 63 -4.523 -6.136 -21.452 1.00 3.33 C ATOM 972 C GLN A 63 -3.041 -5.995 -21.826 1.00 44.32 C ATOM 973 O GLN A 63 -2.578 -6.563 -22.823 1.00 11.25 O ATOM 974 CB GLN A 63 -5.382 -5.055 -22.168 1.00 62.33 C ATOM 975 CG GLN A 63 -6.881 -5.080 -21.789 1.00 10.11 C ATOM 976 CD GLN A 63 -7.595 -6.423 -22.015 1.00 64.55 C ATOM 977 OE1 GLN A 63 -8.495 -6.790 -21.258 1.00 40.53 O ATOM 978 NE2 GLN A 63 -7.241 -7.146 -23.067 1.00 11.25 N ATOM 0 H GLN A 63 -5.120 -5.156 -19.696 1.00 63.45 H new ATOM 0 HA GLN A 63 -4.866 -7.117 -21.780 1.00 3.33 H new ATOM 0 HB2 GLN A 63 -4.976 -4.071 -21.933 1.00 62.33 H new ATOM 0 HB3 GLN A 63 -5.289 -5.189 -23.246 1.00 62.33 H new ATOM 0 HG2 GLN A 63 -6.977 -4.809 -20.738 1.00 10.11 H new ATOM 0 HG3 GLN A 63 -7.397 -4.312 -22.365 1.00 10.11 H new ATOM 0 HE21 GLN A 63 -6.493 -6.822 -23.680 1.00 11.25 H new ATOM 0 HE22 GLN A 63 -7.717 -8.027 -23.264 1.00 11.25 H new ATOM 987 N HIS A 64 -2.311 -5.218 -21.007 1.00 42.21 N ATOM 988 CA HIS A 64 -0.864 -5.030 -21.129 1.00 30.54 C ATOM 989 C HIS A 64 -0.227 -5.140 -19.733 1.00 71.10 C ATOM 990 O HIS A 64 -0.324 -4.186 -18.953 1.00 53.45 O ATOM 991 CB HIS A 64 -0.529 -3.652 -21.773 1.00 15.45 C ATOM 992 CG HIS A 64 -0.964 -3.529 -23.206 1.00 33.35 C ATOM 993 ND1 HIS A 64 -0.165 -3.908 -24.259 1.00 71.22 N ATOM 994 CD2 HIS A 64 -2.116 -3.076 -23.760 1.00 41.22 C ATOM 995 CE1 HIS A 64 -0.801 -3.709 -25.387 1.00 40.33 C ATOM 996 NE2 HIS A 64 -1.984 -3.204 -25.115 1.00 34.21 N ATOM 0 H HIS A 64 -2.721 -4.697 -20.232 1.00 42.21 H new ATOM 0 HA HIS A 64 -0.458 -5.804 -21.781 1.00 30.54 H new ATOM 0 HB2 HIS A 64 -1.005 -2.864 -21.190 1.00 15.45 H new ATOM 0 HB3 HIS A 64 0.547 -3.486 -21.714 1.00 15.45 H new ATOM 0 HD2 HIS A 64 -2.974 -2.688 -23.232 1.00 41.22 H new ATOM 0 HE1 HIS A 64 -0.418 -3.924 -26.374 1.00 40.33 H new ATOM 0 HE2 HIS A 64 -2.691 -2.948 -25.805 1.00 34.21 H new ATOM 1094 N ILE A 73 6.776 4.539 -19.658 1.00 5.12 N ATOM 1095 CA ILE A 73 5.486 5.401 -19.255 1.00 62.41 C ATOM 1096 C ILE A 73 4.361 5.325 -20.286 1.00 32.31 C ATOM 1097 O ILE A 73 4.631 5.405 -21.480 1.00 41.02 O ATOM 1098 CB ILE A 73 5.764 6.985 -18.862 1.00 65.13 C ATOM 1099 CG1 ILE A 73 6.002 7.264 -17.317 1.00 22.55 C ATOM 1100 CG2 ILE A 73 4.633 7.960 -19.306 1.00 3.23 C ATOM 1101 CD1 ILE A 73 6.338 8.705 -16.905 1.00 74.44 C ATOM 0 HA ILE A 73 5.170 4.908 -18.335 1.00 62.41 H new ATOM 0 HB ILE A 73 6.682 7.176 -19.418 1.00 65.13 H new ATOM 0 HG12 ILE A 73 5.105 6.959 -16.777 1.00 22.55 H new ATOM 0 HG13 ILE A 73 6.813 6.619 -16.979 1.00 22.55 H new ATOM 0 HG21 ILE A 73 4.893 8.977 -19.011 1.00 3.23 H new ATOM 0 HG22 ILE A 73 4.518 7.915 -20.389 1.00 3.23 H new ATOM 0 HG23 ILE A 73 3.696 7.672 -18.829 1.00 3.23 H new ATOM 0 HD11 ILE A 73 6.475 8.752 -15.825 1.00 74.44 H new ATOM 0 HD12 ILE A 73 7.256 9.021 -17.401 1.00 74.44 H new ATOM 0 HD13 ILE A 73 5.522 9.366 -17.196 1.00 74.44 H new ATOM 1113 N PRO A 74 3.040 5.155 -19.868 1.00 53.43 N ATOM 1114 CA PRO A 74 1.917 5.304 -20.799 1.00 33.40 C ATOM 1115 C PRO A 74 1.300 6.734 -20.745 1.00 21.43 C ATOM 1116 O PRO A 74 1.198 7.343 -19.658 1.00 1.42 O ATOM 1117 CB PRO A 74 0.933 4.239 -20.297 1.00 14.42 C ATOM 1118 CG PRO A 74 1.069 4.299 -18.811 1.00 63.11 C ATOM 1119 CD PRO A 74 2.520 4.743 -18.515 1.00 45.12 C ATOM 0 HA PRO A 74 2.201 5.176 -21.843 1.00 33.40 H new ATOM 0 HB2 PRO A 74 -0.087 4.456 -20.614 1.00 14.42 H new ATOM 0 HB3 PRO A 74 1.183 3.250 -20.682 1.00 14.42 H new ATOM 0 HG2 PRO A 74 0.354 5.003 -18.385 1.00 63.11 H new ATOM 0 HG3 PRO A 74 0.863 3.326 -18.364 1.00 63.11 H new ATOM 0 HD2 PRO A 74 2.551 5.569 -17.804 1.00 45.12 H new ATOM 0 HD3 PRO A 74 3.109 3.932 -18.088 1.00 45.12 H new ATOM 1127 N PRO A 75 0.892 7.291 -21.914 1.00 50.44 N ATOM 1128 CA PRO A 75 0.090 8.540 -21.959 1.00 2.21 C ATOM 1129 C PRO A 75 -1.307 8.349 -21.313 1.00 42.21 C ATOM 1130 O PRO A 75 -1.923 9.316 -20.853 1.00 11.41 O ATOM 1131 CB PRO A 75 0.000 8.852 -23.474 1.00 3.21 C ATOM 1132 CG PRO A 75 0.251 7.538 -24.163 1.00 43.11 C ATOM 1133 CD PRO A 75 1.207 6.780 -23.276 1.00 71.34 C ATOM 0 HA PRO A 75 0.538 9.356 -21.391 1.00 2.21 H new ATOM 0 HB2 PRO A 75 -0.979 9.253 -23.736 1.00 3.21 H new ATOM 0 HB3 PRO A 75 0.739 9.598 -23.767 1.00 3.21 H new ATOM 0 HG2 PRO A 75 -0.678 6.984 -24.298 1.00 43.11 H new ATOM 0 HG3 PRO A 75 0.677 7.692 -25.154 1.00 43.11 H new ATOM 0 HD2 PRO A 75 1.053 5.703 -23.347 1.00 71.34 H new ATOM 0 HD3 PRO A 75 2.245 6.972 -23.547 1.00 71.34 H new ATOM 1141 N TYR A 76 -1.742 7.079 -21.267 1.00 25.51 N ATOM 1142 CA TYR A 76 -3.010 6.630 -20.668 1.00 44.13 C ATOM 1143 C TYR A 76 -3.113 7.051 -19.185 1.00 54.02 C ATOM 1144 O TYR A 76 -4.077 7.703 -18.774 1.00 31.20 O ATOM 1145 CB TYR A 76 -3.073 5.077 -20.801 1.00 4.22 C ATOM 1146 CG TYR A 76 -4.445 4.439 -20.534 1.00 61.11 C ATOM 1147 CD1 TYR A 76 -4.882 4.140 -19.235 1.00 53.54 C ATOM 1148 CD2 TYR A 76 -5.295 4.115 -21.594 1.00 73.53 C ATOM 1149 CE1 TYR A 76 -6.110 3.534 -19.015 1.00 23.31 C ATOM 1150 CE2 TYR A 76 -6.518 3.521 -21.375 1.00 24.10 C ATOM 1151 CZ TYR A 76 -6.921 3.234 -20.086 1.00 32.50 C ATOM 1152 OH TYR A 76 -8.134 2.617 -19.876 1.00 52.34 O ATOM 0 H TYR A 76 -1.201 6.309 -21.660 1.00 25.51 H new ATOM 0 HA TYR A 76 -3.848 7.095 -21.188 1.00 44.13 H new ATOM 0 HB2 TYR A 76 -2.756 4.804 -21.808 1.00 4.22 H new ATOM 0 HB3 TYR A 76 -2.350 4.642 -20.110 1.00 4.22 H new ATOM 0 HD1 TYR A 76 -4.252 4.386 -18.393 1.00 53.54 H new ATOM 0 HD2 TYR A 76 -4.987 4.335 -22.606 1.00 73.53 H new ATOM 0 HE1 TYR A 76 -6.428 3.299 -18.010 1.00 23.31 H new ATOM 0 HE2 TYR A 76 -7.160 3.280 -22.209 1.00 24.10 H new ATOM 0 HH TYR A 76 -8.456 2.827 -18.974 1.00 52.34 H new ATOM 1162 N ASP A 77 -2.088 6.670 -18.411 1.00 1.41 N ATOM 1163 CA ASP A 77 -2.035 6.882 -16.950 1.00 15.01 C ATOM 1164 C ASP A 77 -1.831 8.356 -16.590 1.00 32.02 C ATOM 1165 O ASP A 77 -2.124 8.754 -15.466 1.00 11.42 O ATOM 1166 CB ASP A 77 -0.953 5.986 -16.285 1.00 32.10 C ATOM 1167 CG ASP A 77 -1.273 4.471 -16.329 1.00 0.33 C ATOM 1168 OD1 ASP A 77 -0.731 3.727 -15.487 1.00 2.24 O ATOM 1169 OD2 ASP A 77 -2.030 4.020 -17.227 1.00 12.23 O ATOM 0 H ASP A 77 -1.261 6.201 -18.781 1.00 1.41 H new ATOM 0 HA ASP A 77 -3.005 6.585 -16.551 1.00 15.01 H new ATOM 0 HB2 ASP A 77 0.002 6.159 -16.781 1.00 32.10 H new ATOM 0 HB3 ASP A 77 -0.832 6.291 -15.246 1.00 32.10 H new ATOM 1174 N ARG A 78 -1.272 9.148 -17.522 1.00 13.33 N ATOM 1175 CA ARG A 78 -1.147 10.614 -17.351 1.00 14.42 C ATOM 1176 C ARG A 78 -2.541 11.246 -17.198 1.00 35.50 C ATOM 1177 O ARG A 78 -2.744 12.119 -16.340 1.00 61.42 O ATOM 1178 CB ARG A 78 -0.381 11.245 -18.543 1.00 12.40 C ATOM 1179 CG ARG A 78 0.996 10.602 -18.840 1.00 32.02 C ATOM 1180 CD ARG A 78 2.067 10.849 -17.752 1.00 34.32 C ATOM 1181 NE ARG A 78 1.771 10.184 -16.459 1.00 3.43 N ATOM 1182 CZ ARG A 78 2.288 10.548 -15.271 1.00 23.40 C ATOM 1183 NH1 ARG A 78 3.136 11.568 -15.175 1.00 53.31 N ATOM 1184 NH2 ARG A 78 1.928 9.903 -14.167 1.00 2.05 N ATOM 0 H ARG A 78 -0.898 8.800 -18.405 1.00 13.33 H new ATOM 0 HA ARG A 78 -0.574 10.813 -16.446 1.00 14.42 H new ATOM 0 HB2 ARG A 78 -1.002 11.171 -19.436 1.00 12.40 H new ATOM 0 HB3 ARG A 78 -0.236 12.307 -18.343 1.00 12.40 H new ATOM 0 HG2 ARG A 78 0.862 9.527 -18.963 1.00 32.02 H new ATOM 0 HG3 ARG A 78 1.366 10.988 -19.790 1.00 32.02 H new ATOM 0 HD2 ARG A 78 3.032 10.498 -18.118 1.00 34.32 H new ATOM 0 HD3 ARG A 78 2.161 11.922 -17.585 1.00 34.32 H new ATOM 0 HE ARG A 78 1.128 9.392 -16.472 1.00 3.43 H new ATOM 0 HH11 ARG A 78 3.404 12.088 -16.010 1.00 53.31 H new ATOM 0 HH12 ARG A 78 3.518 11.830 -14.266 1.00 53.31 H new ATOM 0 HH21 ARG A 78 1.261 9.133 -14.221 1.00 2.05 H new ATOM 0 HH22 ARG A 78 2.319 10.177 -13.266 1.00 2.05 H new ATOM 1198 N ASP A 79 -3.501 10.763 -18.018 1.00 12.33 N ATOM 1199 CA ASP A 79 -4.920 11.166 -17.926 1.00 53.33 C ATOM 1200 C ASP A 79 -5.545 10.671 -16.615 1.00 31.34 C ATOM 1201 O ASP A 79 -6.342 11.380 -16.008 1.00 12.43 O ATOM 1202 CB ASP A 79 -5.744 10.626 -19.128 1.00 40.33 C ATOM 1203 CG ASP A 79 -5.364 11.289 -20.455 1.00 43.31 C ATOM 1204 OD1 ASP A 79 -6.167 12.070 -21.009 1.00 33.44 O ATOM 1205 OD2 ASP A 79 -4.242 11.049 -20.935 1.00 40.03 O ATOM 0 H ASP A 79 -3.314 10.086 -18.758 1.00 12.33 H new ATOM 0 HA ASP A 79 -4.946 12.255 -17.948 1.00 53.33 H new ATOM 0 HB2 ASP A 79 -5.595 9.549 -19.210 1.00 40.33 H new ATOM 0 HB3 ASP A 79 -6.805 10.788 -18.937 1.00 40.33 H new ATOM 1210 N PHE A 80 -5.172 9.445 -16.200 1.00 24.04 N ATOM 1211 CA PHE A 80 -5.608 8.847 -14.919 1.00 11.34 C ATOM 1212 C PHE A 80 -5.170 9.728 -13.723 1.00 45.22 C ATOM 1213 O PHE A 80 -5.942 9.939 -12.776 1.00 70.34 O ATOM 1214 CB PHE A 80 -5.025 7.401 -14.780 1.00 62.03 C ATOM 1215 CG PHE A 80 -5.347 6.714 -13.449 1.00 73.34 C ATOM 1216 CD1 PHE A 80 -6.489 5.937 -13.306 1.00 23.10 C ATOM 1217 CD2 PHE A 80 -4.522 6.880 -12.327 1.00 63.20 C ATOM 1218 CE1 PHE A 80 -6.797 5.353 -12.098 1.00 51.34 C ATOM 1219 CE2 PHE A 80 -4.837 6.290 -11.124 1.00 60.02 C ATOM 1220 CZ PHE A 80 -5.980 5.530 -11.010 1.00 24.14 C ATOM 0 H PHE A 80 -4.558 8.838 -16.744 1.00 24.04 H new ATOM 0 HA PHE A 80 -6.697 8.791 -14.913 1.00 11.34 H new ATOM 0 HB2 PHE A 80 -5.410 6.787 -15.594 1.00 62.03 H new ATOM 0 HB3 PHE A 80 -3.942 7.446 -14.899 1.00 62.03 H new ATOM 0 HD1 PHE A 80 -7.143 5.789 -14.152 1.00 23.10 H new ATOM 0 HD2 PHE A 80 -3.627 7.479 -12.408 1.00 63.20 H new ATOM 0 HE1 PHE A 80 -7.689 4.751 -12.006 1.00 51.34 H new ATOM 0 HE2 PHE A 80 -4.189 6.423 -10.271 1.00 60.02 H new ATOM 0 HZ PHE A 80 -6.233 5.074 -10.064 1.00 24.14 H new ATOM 1230 N CYS A 81 -3.932 10.251 -13.801 1.00 74.51 N ATOM 1231 CA CYS A 81 -3.293 11.015 -12.713 1.00 15.23 C ATOM 1232 C CYS A 81 -3.897 12.428 -12.545 1.00 41.22 C ATOM 1233 O CYS A 81 -3.490 13.161 -11.638 1.00 25.12 O ATOM 1234 CB CYS A 81 -1.768 11.098 -12.963 1.00 43.45 C ATOM 1235 SG CYS A 81 -0.938 9.491 -12.977 1.00 62.03 S ATOM 0 H CYS A 81 -3.342 10.154 -14.628 1.00 74.51 H new ATOM 0 HA CYS A 81 -3.484 10.484 -11.780 1.00 15.23 H new ATOM 0 HB2 CYS A 81 -1.593 11.594 -13.917 1.00 43.45 H new ATOM 0 HB3 CYS A 81 -1.317 11.722 -12.192 1.00 43.45 H new ATOM 0 HG CYS A 81 -1.174 8.890 -14.106 1.00 62.03 H new ATOM 1241 N LYS A 82 -4.865 12.807 -13.414 1.00 44.14 N ATOM 1242 CA LYS A 82 -5.573 14.097 -13.314 1.00 2.34 C ATOM 1243 C LYS A 82 -6.624 14.021 -12.191 1.00 0.21 C ATOM 1244 O LYS A 82 -7.796 13.691 -12.417 1.00 24.30 O ATOM 1245 CB LYS A 82 -6.222 14.478 -14.669 1.00 35.02 C ATOM 1246 CG LYS A 82 -5.241 14.506 -15.857 1.00 75.24 C ATOM 1247 CD LYS A 82 -4.039 15.455 -15.632 1.00 72.14 C ATOM 1248 CE LYS A 82 -3.050 15.425 -16.807 1.00 14.44 C ATOM 1249 NZ LYS A 82 -3.694 15.811 -18.086 1.00 50.11 N ATOM 0 H LYS A 82 -5.172 12.229 -14.196 1.00 44.14 H new ATOM 0 HA LYS A 82 -4.856 14.880 -13.068 1.00 2.34 H new ATOM 0 HB2 LYS A 82 -7.020 13.768 -14.889 1.00 35.02 H new ATOM 0 HB3 LYS A 82 -6.686 15.460 -14.573 1.00 35.02 H new ATOM 0 HG2 LYS A 82 -4.870 13.497 -16.038 1.00 75.24 H new ATOM 0 HG3 LYS A 82 -5.776 14.815 -16.755 1.00 75.24 H new ATOM 0 HD2 LYS A 82 -4.403 16.473 -15.491 1.00 72.14 H new ATOM 0 HD3 LYS A 82 -3.521 15.172 -14.716 1.00 72.14 H new ATOM 0 HE2 LYS A 82 -2.221 16.102 -16.600 1.00 14.44 H new ATOM 0 HE3 LYS A 82 -2.629 14.424 -16.901 1.00 14.44 H new ATOM 0 HZ1 LYS A 82 -2.966 15.926 -18.820 1.00 50.11 H new ATOM 0 HZ2 LYS A 82 -4.364 15.070 -18.375 1.00 50.11 H new ATOM 0 HZ3 LYS A 82 -4.204 16.709 -17.961 1.00 50.11 H new ATOM 1263 N VAL A 83 -6.143 14.257 -10.970 1.00 32.42 N ATOM 1264 CA VAL A 83 -6.929 14.200 -9.727 1.00 31.41 C ATOM 1265 C VAL A 83 -6.612 15.434 -8.872 1.00 41.24 C ATOM 1266 O VAL A 83 -5.596 16.100 -9.098 1.00 13.53 O ATOM 1267 CB VAL A 83 -6.596 12.890 -8.903 1.00 33.44 C ATOM 1268 CG1 VAL A 83 -7.132 11.626 -9.605 1.00 23.04 C ATOM 1269 CG2 VAL A 83 -5.073 12.766 -8.640 1.00 54.23 C ATOM 0 H VAL A 83 -5.166 14.501 -10.809 1.00 32.42 H new ATOM 0 HA VAL A 83 -7.988 14.183 -9.987 1.00 31.41 H new ATOM 0 HB VAL A 83 -7.102 12.976 -7.941 1.00 33.44 H new ATOM 0 HG11 VAL A 83 -6.885 10.747 -9.010 1.00 23.04 H new ATOM 0 HG12 VAL A 83 -8.214 11.700 -9.711 1.00 23.04 H new ATOM 0 HG13 VAL A 83 -6.677 11.537 -10.591 1.00 23.04 H new ATOM 0 HG21 VAL A 83 -4.875 11.857 -8.072 1.00 54.23 H new ATOM 0 HG22 VAL A 83 -4.542 12.723 -9.591 1.00 54.23 H new ATOM 0 HG23 VAL A 83 -4.730 13.631 -8.072 1.00 54.23 H new ATOM 1279 N ASP A 84 -7.483 15.742 -7.903 1.00 45.00 N ATOM 1280 CA ASP A 84 -7.189 16.761 -6.870 1.00 24.15 C ATOM 1281 C ASP A 84 -6.405 16.078 -5.726 1.00 61.04 C ATOM 1282 O ASP A 84 -6.270 14.848 -5.734 1.00 70.31 O ATOM 1283 CB ASP A 84 -8.508 17.416 -6.361 1.00 65.44 C ATOM 1284 CG ASP A 84 -8.292 18.843 -5.827 1.00 51.13 C ATOM 1285 OD1 ASP A 84 -8.075 19.018 -4.615 1.00 11.53 O ATOM 1286 OD2 ASP A 84 -8.308 19.799 -6.635 1.00 75.10 O ATOM 0 H ASP A 84 -8.399 15.304 -7.807 1.00 45.00 H new ATOM 0 HA ASP A 84 -6.581 17.564 -7.287 1.00 24.15 H new ATOM 0 HB2 ASP A 84 -9.234 17.442 -7.174 1.00 65.44 H new ATOM 0 HB3 ASP A 84 -8.936 16.797 -5.572 1.00 65.44 H new ATOM 1291 N GLN A 85 -5.904 16.857 -4.751 1.00 53.45 N ATOM 1292 CA GLN A 85 -5.061 16.320 -3.658 1.00 72.22 C ATOM 1293 C GLN A 85 -5.820 15.266 -2.779 1.00 72.22 C ATOM 1294 O GLN A 85 -5.271 14.177 -2.563 1.00 53.31 O ATOM 1295 CB GLN A 85 -4.456 17.468 -2.791 1.00 65.52 C ATOM 1296 CG GLN A 85 -3.472 17.005 -1.691 1.00 1.33 C ATOM 1297 CD GLN A 85 -2.263 16.228 -2.242 1.00 1.23 C ATOM 1298 OE1 GLN A 85 -1.230 16.807 -2.573 1.00 30.40 O ATOM 1299 NE2 GLN A 85 -2.391 14.911 -2.355 1.00 3.21 N ATOM 0 H GLN A 85 -6.066 17.862 -4.694 1.00 53.45 H new ATOM 0 HA GLN A 85 -4.233 15.790 -4.128 1.00 72.22 H new ATOM 0 HB2 GLN A 85 -3.940 18.167 -3.449 1.00 65.52 H new ATOM 0 HB3 GLN A 85 -5.272 18.017 -2.321 1.00 65.52 H new ATOM 0 HG2 GLN A 85 -3.115 17.877 -1.142 1.00 1.33 H new ATOM 0 HG3 GLN A 85 -4.005 16.376 -0.978 1.00 1.33 H new ATOM 0 HE21 GLN A 85 -3.260 14.457 -2.073 1.00 3.21 H new ATOM 0 HE22 GLN A 85 -1.621 14.354 -2.724 1.00 3.21 H new ATOM 1308 N PRO A 86 -7.082 15.540 -2.264 1.00 13.44 N ATOM 1309 CA PRO A 86 -7.888 14.508 -1.558 1.00 43.31 C ATOM 1310 C PRO A 86 -8.171 13.273 -2.438 1.00 52.41 C ATOM 1311 O PRO A 86 -8.077 12.135 -1.971 1.00 12.21 O ATOM 1312 CB PRO A 86 -9.201 15.246 -1.188 1.00 53.14 C ATOM 1313 CG PRO A 86 -8.828 16.695 -1.177 1.00 12.52 C ATOM 1314 CD PRO A 86 -7.804 16.847 -2.273 1.00 72.51 C ATOM 0 HA PRO A 86 -7.362 14.111 -0.690 1.00 43.31 H new ATOM 0 HB2 PRO A 86 -9.988 15.044 -1.915 1.00 53.14 H new ATOM 0 HB3 PRO A 86 -9.576 14.926 -0.216 1.00 53.14 H new ATOM 0 HG2 PRO A 86 -9.697 17.327 -1.360 1.00 12.52 H new ATOM 0 HG3 PRO A 86 -8.418 16.989 -0.211 1.00 12.52 H new ATOM 0 HD2 PRO A 86 -8.275 17.038 -3.237 1.00 72.51 H new ATOM 0 HD3 PRO A 86 -7.128 17.680 -2.077 1.00 72.51 H new ATOM 1322 N THR A 87 -8.481 13.536 -3.722 1.00 24.32 N ATOM 1323 CA THR A 87 -8.824 12.504 -4.717 1.00 14.32 C ATOM 1324 C THR A 87 -7.621 11.576 -5.012 1.00 41.13 C ATOM 1325 O THR A 87 -7.795 10.392 -5.328 1.00 42.15 O ATOM 1326 CB THR A 87 -9.325 13.184 -6.032 1.00 72.50 C ATOM 1327 OG1 THR A 87 -10.295 14.197 -5.712 1.00 12.24 O ATOM 1328 CG2 THR A 87 -9.954 12.180 -7.007 1.00 34.24 C ATOM 0 H THR A 87 -8.500 14.483 -4.101 1.00 24.32 H new ATOM 0 HA THR A 87 -9.621 11.885 -4.304 1.00 14.32 H new ATOM 0 HB THR A 87 -8.455 13.623 -6.520 1.00 72.50 H new ATOM 0 HG1 THR A 87 -10.607 14.624 -6.537 1.00 12.24 H new ATOM 0 HG21 THR A 87 -10.286 12.703 -7.904 1.00 34.24 H new ATOM 0 HG22 THR A 87 -9.216 11.425 -7.279 1.00 34.24 H new ATOM 0 HG23 THR A 87 -10.808 11.697 -6.532 1.00 34.24 H new ATOM 1336 N LEU A 88 -6.410 12.142 -4.890 1.00 30.55 N ATOM 1337 CA LEU A 88 -5.141 11.415 -5.056 1.00 23.52 C ATOM 1338 C LEU A 88 -5.017 10.361 -3.935 1.00 62.50 C ATOM 1339 O LEU A 88 -4.671 9.200 -4.187 1.00 75.23 O ATOM 1340 CB LEU A 88 -3.950 12.438 -5.027 1.00 52.02 C ATOM 1341 CG LEU A 88 -2.675 12.088 -5.867 1.00 34.51 C ATOM 1342 CD1 LEU A 88 -1.668 13.256 -5.855 1.00 23.15 C ATOM 1343 CD2 LEU A 88 -2.012 10.773 -5.414 1.00 41.20 C ATOM 0 H LEU A 88 -6.283 13.130 -4.671 1.00 30.55 H new ATOM 0 HA LEU A 88 -5.115 10.898 -6.015 1.00 23.52 H new ATOM 0 HB2 LEU A 88 -4.326 13.401 -5.372 1.00 52.02 H new ATOM 0 HB3 LEU A 88 -3.644 12.568 -3.989 1.00 52.02 H new ATOM 0 HG LEU A 88 -3.005 11.932 -6.894 1.00 34.51 H new ATOM 0 HD11 LEU A 88 -0.792 12.987 -6.445 1.00 23.15 H new ATOM 0 HD12 LEU A 88 -2.135 14.143 -6.282 1.00 23.15 H new ATOM 0 HD13 LEU A 88 -1.364 13.464 -4.829 1.00 23.15 H new ATOM 0 HD21 LEU A 88 -1.133 10.578 -6.029 1.00 41.20 H new ATOM 0 HD22 LEU A 88 -1.712 10.858 -4.369 1.00 41.20 H new ATOM 0 HD23 LEU A 88 -2.721 9.952 -5.523 1.00 41.20 H new ATOM 1355 N PHE A 89 -5.335 10.789 -2.698 1.00 20.42 N ATOM 1356 CA PHE A 89 -5.318 9.910 -1.520 1.00 73.22 C ATOM 1357 C PHE A 89 -6.429 8.851 -1.590 1.00 35.11 C ATOM 1358 O PHE A 89 -6.251 7.764 -1.065 1.00 72.10 O ATOM 1359 CB PHE A 89 -5.433 10.725 -0.213 1.00 42.22 C ATOM 1360 CG PHE A 89 -4.255 11.665 0.044 1.00 55.12 C ATOM 1361 CD1 PHE A 89 -2.951 11.174 0.039 1.00 0.50 C ATOM 1362 CD2 PHE A 89 -4.445 13.020 0.304 1.00 25.41 C ATOM 1363 CE1 PHE A 89 -1.884 12.008 0.282 1.00 44.13 C ATOM 1364 CE2 PHE A 89 -3.372 13.855 0.548 1.00 32.02 C ATOM 1365 CZ PHE A 89 -2.091 13.348 0.536 1.00 63.41 C ATOM 0 H PHE A 89 -5.609 11.749 -2.491 1.00 20.42 H new ATOM 0 HA PHE A 89 -4.359 9.393 -1.519 1.00 73.22 H new ATOM 0 HB2 PHE A 89 -6.351 11.311 -0.243 1.00 42.22 H new ATOM 0 HB3 PHE A 89 -5.523 10.035 0.626 1.00 42.22 H new ATOM 0 HD1 PHE A 89 -2.776 10.127 -0.158 1.00 0.50 H new ATOM 0 HD2 PHE A 89 -5.447 13.424 0.315 1.00 25.41 H new ATOM 0 HE1 PHE A 89 -0.879 11.612 0.274 1.00 44.13 H new ATOM 0 HE2 PHE A 89 -3.537 14.903 0.748 1.00 32.02 H new ATOM 0 HZ PHE A 89 -1.250 13.999 0.725 1.00 63.41 H new ATOM 1375 N GLU A 90 -7.566 9.186 -2.237 1.00 64.13 N ATOM 1376 CA GLU A 90 -8.680 8.233 -2.459 1.00 62.44 C ATOM 1377 C GLU A 90 -8.220 7.013 -3.282 1.00 71.32 C ATOM 1378 O GLU A 90 -8.685 5.892 -3.053 1.00 41.14 O ATOM 1379 CB GLU A 90 -9.868 8.923 -3.177 1.00 32.32 C ATOM 1380 CG GLU A 90 -10.555 10.039 -2.375 1.00 45.41 C ATOM 1381 CD GLU A 90 -11.145 9.548 -1.046 1.00 1.54 C ATOM 1382 OE1 GLU A 90 -12.208 8.887 -1.071 1.00 50.02 O ATOM 1383 OE2 GLU A 90 -10.559 9.823 0.025 1.00 13.14 O ATOM 0 H GLU A 90 -7.739 10.116 -2.618 1.00 64.13 H new ATOM 0 HA GLU A 90 -9.008 7.890 -1.478 1.00 62.44 H new ATOM 0 HB2 GLU A 90 -9.510 9.341 -4.118 1.00 32.32 H new ATOM 0 HB3 GLU A 90 -10.611 8.166 -3.426 1.00 32.32 H new ATOM 0 HG2 GLU A 90 -9.834 10.832 -2.175 1.00 45.41 H new ATOM 0 HG3 GLU A 90 -11.350 10.476 -2.979 1.00 45.41 H new ATOM 1390 N LEU A 91 -7.308 7.257 -4.245 1.00 41.13 N ATOM 1391 CA LEU A 91 -6.697 6.199 -5.073 1.00 52.03 C ATOM 1392 C LEU A 91 -5.783 5.298 -4.212 1.00 23.14 C ATOM 1393 O LEU A 91 -5.761 4.081 -4.396 1.00 14.23 O ATOM 1394 CB LEU A 91 -5.891 6.826 -6.242 1.00 14.30 C ATOM 1395 CG LEU A 91 -6.688 7.757 -7.211 1.00 61.21 C ATOM 1396 CD1 LEU A 91 -5.748 8.389 -8.261 1.00 41.24 C ATOM 1397 CD2 LEU A 91 -7.867 7.004 -7.875 1.00 42.31 C ATOM 0 H LEU A 91 -6.975 8.194 -4.470 1.00 41.13 H new ATOM 0 HA LEU A 91 -7.494 5.584 -5.491 1.00 52.03 H new ATOM 0 HB2 LEU A 91 -5.065 7.398 -5.820 1.00 14.30 H new ATOM 0 HB3 LEU A 91 -5.452 6.018 -6.827 1.00 14.30 H new ATOM 0 HG LEU A 91 -7.118 8.567 -6.623 1.00 61.21 H new ATOM 0 HD11 LEU A 91 -6.325 9.033 -8.925 1.00 41.24 H new ATOM 0 HD12 LEU A 91 -4.983 8.980 -7.756 1.00 41.24 H new ATOM 0 HD13 LEU A 91 -5.272 7.601 -8.844 1.00 41.24 H new ATOM 0 HD21 LEU A 91 -8.401 7.680 -8.543 1.00 42.31 H new ATOM 0 HD22 LEU A 91 -7.483 6.158 -8.446 1.00 42.31 H new ATOM 0 HD23 LEU A 91 -8.548 6.643 -7.104 1.00 42.31 H new ATOM 1409 N ILE A 92 -5.045 5.925 -3.267 1.00 73.44 N ATOM 1410 CA ILE A 92 -4.171 5.215 -2.303 1.00 72.15 C ATOM 1411 C ILE A 92 -5.022 4.344 -1.347 1.00 3.22 C ATOM 1412 O ILE A 92 -4.688 3.185 -1.084 1.00 73.54 O ATOM 1413 CB ILE A 92 -3.285 6.232 -1.466 1.00 53.12 C ATOM 1414 CG1 ILE A 92 -2.410 7.109 -2.420 1.00 13.01 C ATOM 1415 CG2 ILE A 92 -2.404 5.502 -0.414 1.00 31.21 C ATOM 1416 CD1 ILE A 92 -1.510 8.128 -1.732 1.00 53.44 C ATOM 0 H ILE A 92 -5.038 6.938 -3.151 1.00 73.44 H new ATOM 0 HA ILE A 92 -3.500 4.572 -2.873 1.00 72.15 H new ATOM 0 HB ILE A 92 -3.962 6.887 -0.917 1.00 53.12 H new ATOM 0 HG12 ILE A 92 -1.787 6.448 -3.023 1.00 13.01 H new ATOM 0 HG13 ILE A 92 -3.071 7.639 -3.106 1.00 13.01 H new ATOM 0 HG21 ILE A 92 -1.813 6.234 0.137 1.00 31.21 H new ATOM 0 HG22 ILE A 92 -3.043 4.955 0.279 1.00 31.21 H new ATOM 0 HG23 ILE A 92 -1.737 4.804 -0.920 1.00 31.21 H new ATOM 0 HD11 ILE A 92 -0.947 8.682 -2.483 1.00 53.44 H new ATOM 0 HD12 ILE A 92 -2.121 8.820 -1.152 1.00 53.44 H new ATOM 0 HD13 ILE A 92 -0.817 7.612 -1.068 1.00 53.44 H new ATOM 1428 N LEU A 93 -6.148 4.923 -0.877 1.00 14.00 N ATOM 1429 CA LEU A 93 -7.076 4.279 0.073 1.00 51.24 C ATOM 1430 C LEU A 93 -7.762 3.062 -0.577 1.00 73.21 C ATOM 1431 O LEU A 93 -7.870 2.007 0.043 1.00 61.31 O ATOM 1432 CB LEU A 93 -8.143 5.306 0.572 1.00 63.01 C ATOM 1433 CG LEU A 93 -7.616 6.465 1.487 1.00 1.23 C ATOM 1434 CD1 LEU A 93 -8.728 7.493 1.799 1.00 22.50 C ATOM 1435 CD2 LEU A 93 -6.987 5.912 2.783 1.00 70.13 C ATOM 0 H LEU A 93 -6.440 5.861 -1.151 1.00 14.00 H new ATOM 0 HA LEU A 93 -6.502 3.930 0.931 1.00 51.24 H new ATOM 0 HB2 LEU A 93 -8.625 5.750 -0.299 1.00 63.01 H new ATOM 0 HB3 LEU A 93 -8.913 4.761 1.119 1.00 63.01 H new ATOM 0 HG LEU A 93 -6.835 6.987 0.934 1.00 1.23 H new ATOM 0 HD11 LEU A 93 -8.326 8.282 2.435 1.00 22.50 H new ATOM 0 HD12 LEU A 93 -9.093 7.928 0.869 1.00 22.50 H new ATOM 0 HD13 LEU A 93 -9.550 6.995 2.313 1.00 22.50 H new ATOM 0 HD21 LEU A 93 -6.631 6.740 3.397 1.00 70.13 H new ATOM 0 HD22 LEU A 93 -7.735 5.345 3.337 1.00 70.13 H new ATOM 0 HD23 LEU A 93 -6.150 5.260 2.532 1.00 70.13 H new ATOM 1447 N ALA A 94 -8.192 3.235 -1.843 1.00 70.22 N ATOM 1448 CA ALA A 94 -8.890 2.192 -2.618 1.00 41.12 C ATOM 1449 C ALA A 94 -7.934 1.064 -3.029 1.00 23.34 C ATOM 1450 O ALA A 94 -8.323 -0.100 -3.041 1.00 63.13 O ATOM 1451 CB ALA A 94 -9.555 2.804 -3.859 1.00 34.52 C ATOM 0 H ALA A 94 -8.064 4.106 -2.358 1.00 70.22 H new ATOM 0 HA ALA A 94 -9.660 1.761 -1.978 1.00 41.12 H new ATOM 0 HB1 ALA A 94 -10.066 2.022 -4.421 1.00 34.52 H new ATOM 0 HB2 ALA A 94 -10.277 3.560 -3.550 1.00 34.52 H new ATOM 0 HB3 ALA A 94 -8.795 3.265 -4.489 1.00 34.52 H new ATOM 1457 N ALA A 95 -6.685 1.427 -3.367 1.00 5.25 N ATOM 1458 CA ALA A 95 -5.652 0.455 -3.776 1.00 34.04 C ATOM 1459 C ALA A 95 -5.146 -0.368 -2.581 1.00 2.22 C ATOM 1460 O ALA A 95 -4.774 -1.526 -2.743 1.00 42.41 O ATOM 1461 CB ALA A 95 -4.486 1.164 -4.466 1.00 64.25 C ATOM 0 H ALA A 95 -6.363 2.395 -3.365 1.00 5.25 H new ATOM 0 HA ALA A 95 -6.112 -0.234 -4.485 1.00 34.04 H new ATOM 0 HB1 ALA A 95 -3.736 0.430 -4.759 1.00 64.25 H new ATOM 0 HB2 ALA A 95 -4.850 1.685 -5.352 1.00 64.25 H new ATOM 0 HB3 ALA A 95 -4.040 1.884 -3.779 1.00 64.25 H new ATOM 1467 N ASN A 96 -5.118 0.252 -1.387 1.00 73.22 N ATOM 1468 CA ASN A 96 -4.755 -0.433 -0.124 1.00 73.24 C ATOM 1469 C ASN A 96 -5.928 -1.329 0.350 1.00 1.24 C ATOM 1470 O ASN A 96 -5.715 -2.437 0.843 1.00 23.41 O ATOM 1471 CB ASN A 96 -4.365 0.618 0.964 1.00 61.25 C ATOM 1472 CG ASN A 96 -3.910 0.017 2.308 1.00 31.02 C ATOM 1473 OD1 ASN A 96 -3.397 -1.103 2.370 1.00 5.41 O ATOM 1474 ND2 ASN A 96 -4.051 0.779 3.387 1.00 2.33 N ATOM 0 H ASN A 96 -5.345 1.239 -1.266 1.00 73.22 H new ATOM 0 HA ASN A 96 -3.890 -1.074 -0.296 1.00 73.24 H new ATOM 0 HB2 ASN A 96 -3.564 1.245 0.573 1.00 61.25 H new ATOM 0 HB3 ASN A 96 -5.221 1.269 1.144 1.00 61.25 H new ATOM 0 HD21 ASN A 96 -3.731 0.442 4.295 1.00 2.33 H new ATOM 0 HD22 ASN A 96 -4.479 1.702 3.307 1.00 2.33 H new ATOM 1481 N TYR A 97 -7.165 -0.838 0.160 1.00 34.13 N ATOM 1482 CA TYR A 97 -8.406 -1.560 0.533 1.00 61.45 C ATOM 1483 C TYR A 97 -8.595 -2.826 -0.332 1.00 11.11 C ATOM 1484 O TYR A 97 -8.898 -3.904 0.185 1.00 60.03 O ATOM 1485 CB TYR A 97 -9.629 -0.603 0.386 1.00 20.34 C ATOM 1486 CG TYR A 97 -11.011 -1.252 0.589 1.00 44.01 C ATOM 1487 CD1 TYR A 97 -11.933 -1.337 -0.462 1.00 22.42 C ATOM 1488 CD2 TYR A 97 -11.392 -1.782 1.827 1.00 32.21 C ATOM 1489 CE1 TYR A 97 -13.171 -1.923 -0.287 1.00 31.14 C ATOM 1490 CE2 TYR A 97 -12.633 -2.370 2.001 1.00 5.40 C ATOM 1491 CZ TYR A 97 -13.518 -2.438 0.944 1.00 11.33 C ATOM 1492 OH TYR A 97 -14.760 -3.017 1.121 1.00 4.40 O ATOM 0 H TYR A 97 -7.339 0.076 -0.259 1.00 34.13 H new ATOM 0 HA TYR A 97 -8.326 -1.882 1.571 1.00 61.45 H new ATOM 0 HB2 TYR A 97 -9.520 0.209 1.105 1.00 20.34 H new ATOM 0 HB3 TYR A 97 -9.600 -0.156 -0.608 1.00 20.34 H new ATOM 0 HD1 TYR A 97 -11.670 -0.936 -1.430 1.00 22.42 H new ATOM 0 HD2 TYR A 97 -10.707 -1.731 2.660 1.00 32.21 H new ATOM 0 HE1 TYR A 97 -13.866 -1.978 -1.112 1.00 31.14 H new ATOM 0 HE2 TYR A 97 -12.909 -2.775 2.963 1.00 5.40 H new ATOM 0 HH TYR A 97 -14.846 -3.331 2.045 1.00 4.40 H new ATOM 1502 N LEU A 98 -8.413 -2.663 -1.653 1.00 25.40 N ATOM 1503 CA LEU A 98 -8.601 -3.741 -2.645 1.00 25.11 C ATOM 1504 C LEU A 98 -7.297 -4.541 -2.869 1.00 21.12 C ATOM 1505 O LEU A 98 -7.312 -5.567 -3.564 1.00 13.14 O ATOM 1506 CB LEU A 98 -9.112 -3.128 -3.979 1.00 20.13 C ATOM 1507 CG LEU A 98 -10.503 -2.416 -3.915 1.00 2.02 C ATOM 1508 CD1 LEU A 98 -10.884 -1.797 -5.281 1.00 31.33 C ATOM 1509 CD2 LEU A 98 -11.593 -3.378 -3.400 1.00 52.44 C ATOM 0 H LEU A 98 -8.130 -1.775 -2.068 1.00 25.40 H new ATOM 0 HA LEU A 98 -9.343 -4.442 -2.262 1.00 25.11 H new ATOM 0 HB2 LEU A 98 -8.373 -2.409 -4.332 1.00 20.13 H new ATOM 0 HB3 LEU A 98 -9.166 -3.922 -4.724 1.00 20.13 H new ATOM 0 HG LEU A 98 -10.426 -1.595 -3.202 1.00 2.02 H new ATOM 0 HD11 LEU A 98 -11.856 -1.310 -5.201 1.00 31.33 H new ATOM 0 HD12 LEU A 98 -10.133 -1.062 -5.570 1.00 31.33 H new ATOM 0 HD13 LEU A 98 -10.932 -2.582 -6.036 1.00 31.33 H new ATOM 0 HD21 LEU A 98 -12.550 -2.858 -3.365 1.00 52.44 H new ATOM 0 HD22 LEU A 98 -11.669 -4.234 -4.071 1.00 52.44 H new ATOM 0 HD23 LEU A 98 -11.331 -3.723 -2.400 1.00 52.44 H new ATOM 1521 N ASP A 99 -6.190 -4.052 -2.270 1.00 52.10 N ATOM 1522 CA ASP A 99 -4.848 -4.678 -2.338 1.00 61.55 C ATOM 1523 C ASP A 99 -4.338 -4.739 -3.798 1.00 24.32 C ATOM 1524 O ASP A 99 -3.628 -5.670 -4.209 1.00 72.25 O ATOM 1525 CB ASP A 99 -4.840 -6.073 -1.633 1.00 14.21 C ATOM 1526 CG ASP A 99 -3.436 -6.616 -1.285 1.00 21.51 C ATOM 1527 OD1 ASP A 99 -3.312 -7.827 -0.987 1.00 4.52 O ATOM 1528 OD2 ASP A 99 -2.458 -5.836 -1.257 1.00 33.00 O ATOM 0 H ASP A 99 -6.202 -3.196 -1.715 1.00 52.10 H new ATOM 0 HA ASP A 99 -4.146 -4.051 -1.789 1.00 61.55 H new ATOM 0 HB2 ASP A 99 -5.425 -6.004 -0.716 1.00 14.21 H new ATOM 0 HB3 ASP A 99 -5.343 -6.793 -2.278 1.00 14.21 H new ATOM 1533 N ILE A 100 -4.708 -3.708 -4.580 1.00 21.40 N ATOM 1534 CA ILE A 100 -4.225 -3.523 -5.953 1.00 62.40 C ATOM 1535 C ILE A 100 -2.913 -2.732 -5.898 1.00 10.02 C ATOM 1536 O ILE A 100 -2.886 -1.507 -6.057 1.00 51.15 O ATOM 1537 CB ILE A 100 -5.294 -2.816 -6.873 1.00 50.44 C ATOM 1538 CG1 ILE A 100 -6.649 -3.576 -6.768 1.00 74.23 C ATOM 1539 CG2 ILE A 100 -4.801 -2.736 -8.348 1.00 11.31 C ATOM 1540 CD1 ILE A 100 -7.788 -3.031 -7.609 1.00 2.44 C ATOM 0 H ILE A 100 -5.353 -2.980 -4.272 1.00 21.40 H new ATOM 0 HA ILE A 100 -4.049 -4.499 -6.405 1.00 62.40 H new ATOM 0 HB ILE A 100 -5.438 -1.792 -6.530 1.00 50.44 H new ATOM 0 HG12 ILE A 100 -6.482 -4.616 -7.050 1.00 74.23 H new ATOM 0 HG13 ILE A 100 -6.963 -3.575 -5.724 1.00 74.23 H new ATOM 0 HG21 ILE A 100 -5.558 -2.244 -8.959 1.00 11.31 H new ATOM 0 HG22 ILE A 100 -3.873 -2.166 -8.391 1.00 11.31 H new ATOM 0 HG23 ILE A 100 -4.626 -3.742 -8.728 1.00 11.31 H new ATOM 0 HD11 ILE A 100 -8.679 -3.640 -7.454 1.00 2.44 H new ATOM 0 HD12 ILE A 100 -7.997 -2.002 -7.316 1.00 2.44 H new ATOM 0 HD13 ILE A 100 -7.508 -3.059 -8.662 1.00 2.44 H new ATOM 1552 N LYS A 101 -1.838 -3.471 -5.589 1.00 51.03 N ATOM 1553 CA LYS A 101 -0.464 -2.949 -5.508 1.00 31.20 C ATOM 1554 C LYS A 101 0.059 -2.369 -6.851 1.00 53.11 C ATOM 1555 O LYS A 101 0.808 -1.392 -6.799 1.00 30.11 O ATOM 1556 CB LYS A 101 0.495 -4.040 -4.992 1.00 20.01 C ATOM 1557 CG LYS A 101 0.126 -4.594 -3.608 1.00 44.41 C ATOM 1558 CD LYS A 101 1.130 -5.660 -3.133 1.00 72.32 C ATOM 1559 CE LYS A 101 0.794 -6.205 -1.746 1.00 14.35 C ATOM 1560 NZ LYS A 101 1.852 -7.110 -1.256 1.00 24.11 N ATOM 0 H LYS A 101 -1.899 -4.468 -5.384 1.00 51.03 H new ATOM 0 HA LYS A 101 -0.495 -2.118 -4.803 1.00 31.20 H new ATOM 0 HB2 LYS A 101 0.512 -4.862 -5.708 1.00 20.01 H new ATOM 0 HB3 LYS A 101 1.505 -3.632 -4.951 1.00 20.01 H new ATOM 0 HG2 LYS A 101 0.094 -3.778 -2.886 1.00 44.41 H new ATOM 0 HG3 LYS A 101 -0.874 -5.027 -3.644 1.00 44.41 H new ATOM 0 HD2 LYS A 101 1.147 -6.482 -3.848 1.00 72.32 H new ATOM 0 HD3 LYS A 101 2.131 -5.230 -3.118 1.00 72.32 H new ATOM 0 HE2 LYS A 101 0.668 -5.377 -1.048 1.00 14.35 H new ATOM 0 HE3 LYS A 101 -0.156 -6.738 -1.783 1.00 14.35 H new ATOM 0 HZ1 LYS A 101 1.703 -7.303 -0.245 1.00 24.11 H new ATOM 0 HZ2 LYS A 101 1.818 -8.003 -1.788 1.00 24.11 H new ATOM 0 HZ3 LYS A 101 2.781 -6.662 -1.390 1.00 24.11 H new ATOM 1574 N PRO A 102 -0.273 -2.965 -8.070 1.00 54.21 N ATOM 1575 CA PRO A 102 0.011 -2.302 -9.372 1.00 12.12 C ATOM 1576 C PRO A 102 -0.420 -0.814 -9.403 1.00 52.24 C ATOM 1577 O PRO A 102 0.323 0.040 -9.888 1.00 33.24 O ATOM 1578 CB PRO A 102 -0.808 -3.149 -10.378 1.00 61.14 C ATOM 1579 CG PRO A 102 -0.796 -4.530 -9.798 1.00 60.33 C ATOM 1580 CD PRO A 102 -0.839 -4.339 -8.293 1.00 60.02 C ATOM 0 HA PRO A 102 1.078 -2.268 -9.592 1.00 12.12 H new ATOM 0 HB2 PRO A 102 -1.825 -2.770 -10.481 1.00 61.14 H new ATOM 0 HB3 PRO A 102 -0.359 -3.131 -11.371 1.00 61.14 H new ATOM 0 HG2 PRO A 102 -1.652 -5.109 -10.145 1.00 60.33 H new ATOM 0 HG3 PRO A 102 0.099 -5.074 -10.099 1.00 60.33 H new ATOM 0 HD2 PRO A 102 -1.858 -4.415 -7.913 1.00 60.02 H new ATOM 0 HD3 PRO A 102 -0.250 -5.099 -7.780 1.00 60.02 H new ATOM 1588 N LEU A 103 -1.616 -0.520 -8.849 1.00 21.53 N ATOM 1589 CA LEU A 103 -2.163 0.851 -8.822 1.00 21.15 C ATOM 1590 C LEU A 103 -1.511 1.654 -7.687 1.00 5.21 C ATOM 1591 O LEU A 103 -1.123 2.808 -7.891 1.00 20.21 O ATOM 1592 CB LEU A 103 -3.722 0.826 -8.685 1.00 4.32 C ATOM 1593 CG LEU A 103 -4.494 2.181 -8.942 1.00 44.21 C ATOM 1594 CD1 LEU A 103 -4.636 3.056 -7.674 1.00 50.13 C ATOM 1595 CD2 LEU A 103 -3.826 2.973 -10.088 1.00 73.02 C ATOM 0 H LEU A 103 -2.221 -1.216 -8.414 1.00 21.53 H new ATOM 0 HA LEU A 103 -1.928 1.343 -9.766 1.00 21.15 H new ATOM 0 HB2 LEU A 103 -4.110 0.080 -9.379 1.00 4.32 H new ATOM 0 HB3 LEU A 103 -3.967 0.484 -7.680 1.00 4.32 H new ATOM 0 HG LEU A 103 -5.508 1.911 -9.236 1.00 44.21 H new ATOM 0 HD11 LEU A 103 -5.175 3.970 -7.921 1.00 50.13 H new ATOM 0 HD12 LEU A 103 -5.187 2.505 -6.911 1.00 50.13 H new ATOM 0 HD13 LEU A 103 -3.646 3.310 -7.294 1.00 50.13 H new ATOM 0 HD21 LEU A 103 -4.370 3.903 -10.252 1.00 73.02 H new ATOM 0 HD22 LEU A 103 -2.794 3.198 -9.821 1.00 73.02 H new ATOM 0 HD23 LEU A 103 -3.843 2.377 -11.000 1.00 73.02 H new ATOM 1607 N LEU A 104 -1.383 1.010 -6.511 1.00 2.33 N ATOM 1608 CA LEU A 104 -0.841 1.627 -5.286 1.00 64.42 C ATOM 1609 C LEU A 104 0.558 2.209 -5.528 1.00 31.40 C ATOM 1610 O LEU A 104 0.829 3.344 -5.143 1.00 24.42 O ATOM 1611 CB LEU A 104 -0.792 0.572 -4.147 1.00 35.34 C ATOM 1612 CG LEU A 104 -0.280 1.063 -2.754 1.00 72.11 C ATOM 1613 CD1 LEU A 104 -1.187 2.173 -2.169 1.00 23.14 C ATOM 1614 CD2 LEU A 104 -0.127 -0.124 -1.778 1.00 10.41 C ATOM 0 H LEU A 104 -1.656 0.036 -6.384 1.00 2.33 H new ATOM 0 HA LEU A 104 -1.498 2.447 -4.995 1.00 64.42 H new ATOM 0 HB2 LEU A 104 -1.795 0.166 -4.017 1.00 35.34 H new ATOM 0 HB3 LEU A 104 -0.155 -0.250 -4.473 1.00 35.34 H new ATOM 0 HG LEU A 104 0.706 1.506 -2.898 1.00 72.11 H new ATOM 0 HD11 LEU A 104 -0.798 2.488 -1.201 1.00 23.14 H new ATOM 0 HD12 LEU A 104 -1.203 3.025 -2.848 1.00 23.14 H new ATOM 0 HD13 LEU A 104 -2.199 1.788 -2.046 1.00 23.14 H new ATOM 0 HD21 LEU A 104 0.230 0.241 -0.815 1.00 10.41 H new ATOM 0 HD22 LEU A 104 -1.092 -0.613 -1.646 1.00 10.41 H new ATOM 0 HD23 LEU A 104 0.589 -0.839 -2.184 1.00 10.41 H new ATOM 1626 N ASP A 105 1.405 1.426 -6.222 1.00 31.31 N ATOM 1627 CA ASP A 105 2.812 1.769 -6.471 1.00 51.33 C ATOM 1628 C ASP A 105 2.928 2.940 -7.462 1.00 73.01 C ATOM 1629 O ASP A 105 3.725 3.850 -7.248 1.00 0.01 O ATOM 1630 CB ASP A 105 3.594 0.531 -6.986 1.00 30.45 C ATOM 1631 CG ASP A 105 5.118 0.774 -7.025 1.00 12.23 C ATOM 1632 OD1 ASP A 105 5.758 0.740 -5.946 1.00 1.51 O ATOM 1633 OD2 ASP A 105 5.682 1.026 -8.116 1.00 42.32 O ATOM 0 H ASP A 105 1.127 0.532 -6.627 1.00 31.31 H new ATOM 0 HA ASP A 105 3.255 2.085 -5.527 1.00 51.33 H new ATOM 0 HB2 ASP A 105 3.381 -0.323 -6.343 1.00 30.45 H new ATOM 0 HB3 ASP A 105 3.244 0.273 -7.986 1.00 30.45 H new ATOM 1638 N VAL A 106 2.109 2.909 -8.535 1.00 52.20 N ATOM 1639 CA VAL A 106 2.044 4.002 -9.536 1.00 52.31 C ATOM 1640 C VAL A 106 1.599 5.324 -8.869 1.00 24.44 C ATOM 1641 O VAL A 106 2.171 6.388 -9.131 1.00 0.52 O ATOM 1642 CB VAL A 106 1.077 3.636 -10.734 1.00 22.22 C ATOM 1643 CG1 VAL A 106 0.852 4.830 -11.705 1.00 54.13 C ATOM 1644 CG2 VAL A 106 1.608 2.401 -11.501 1.00 54.22 C ATOM 0 H VAL A 106 1.478 2.133 -8.733 1.00 52.20 H new ATOM 0 HA VAL A 106 3.046 4.134 -9.945 1.00 52.31 H new ATOM 0 HB VAL A 106 0.107 3.395 -10.299 1.00 22.22 H new ATOM 0 HG11 VAL A 106 0.181 4.524 -12.508 1.00 54.13 H new ATOM 0 HG12 VAL A 106 0.409 5.664 -11.160 1.00 54.13 H new ATOM 0 HG13 VAL A 106 1.807 5.140 -12.128 1.00 54.13 H new ATOM 0 HG21 VAL A 106 0.931 2.163 -12.321 1.00 54.22 H new ATOM 0 HG22 VAL A 106 2.599 2.619 -11.900 1.00 54.22 H new ATOM 0 HG23 VAL A 106 1.669 1.550 -10.823 1.00 54.22 H new ATOM 1654 N THR A 107 0.599 5.222 -7.976 1.00 33.51 N ATOM 1655 CA THR A 107 0.046 6.373 -7.235 1.00 42.33 C ATOM 1656 C THR A 107 1.053 6.876 -6.159 1.00 30.13 C ATOM 1657 O THR A 107 1.115 8.080 -5.854 1.00 41.33 O ATOM 1658 CB THR A 107 -1.329 5.983 -6.589 1.00 41.44 C ATOM 1659 OG1 THR A 107 -2.192 5.410 -7.590 1.00 33.30 O ATOM 1660 CG2 THR A 107 -2.051 7.186 -5.966 1.00 32.24 C ATOM 0 H THR A 107 0.149 4.336 -7.746 1.00 33.51 H new ATOM 0 HA THR A 107 -0.122 7.193 -7.934 1.00 42.33 H new ATOM 0 HB THR A 107 -1.111 5.266 -5.797 1.00 41.44 H new ATOM 0 HG1 THR A 107 -1.899 4.497 -7.791 1.00 33.30 H new ATOM 0 HG21 THR A 107 -2.997 6.859 -5.534 1.00 32.24 H new ATOM 0 HG22 THR A 107 -1.426 7.621 -5.186 1.00 32.24 H new ATOM 0 HG23 THR A 107 -2.243 7.933 -6.736 1.00 32.24 H new ATOM 1668 N CYS A 108 1.866 5.939 -5.623 1.00 24.22 N ATOM 1669 CA CYS A 108 2.965 6.252 -4.690 1.00 52.12 C ATOM 1670 C CYS A 108 4.102 6.987 -5.430 1.00 42.24 C ATOM 1671 O CYS A 108 4.763 7.847 -4.854 1.00 13.43 O ATOM 1672 CB CYS A 108 3.497 4.968 -4.008 1.00 30.23 C ATOM 1673 SG CYS A 108 2.330 4.199 -2.859 1.00 54.12 S ATOM 0 H CYS A 108 1.776 4.944 -5.827 1.00 24.22 H new ATOM 0 HA CYS A 108 2.576 6.908 -3.911 1.00 52.12 H new ATOM 0 HB2 CYS A 108 3.761 4.244 -4.779 1.00 30.23 H new ATOM 0 HB3 CYS A 108 4.414 5.209 -3.470 1.00 30.23 H new ATOM 0 HG CYS A 108 1.444 3.522 -3.528 1.00 54.12 H new ATOM 1679 N LYS A 109 4.316 6.644 -6.714 1.00 74.05 N ATOM 1680 CA LYS A 109 5.285 7.351 -7.579 1.00 24.22 C ATOM 1681 C LYS A 109 4.760 8.751 -7.943 1.00 72.00 C ATOM 1682 O LYS A 109 5.550 9.678 -8.078 1.00 31.13 O ATOM 1683 CB LYS A 109 5.630 6.527 -8.870 1.00 44.22 C ATOM 1684 CG LYS A 109 6.898 5.641 -8.768 1.00 52.45 C ATOM 1685 CD LYS A 109 6.799 4.536 -7.693 1.00 32.53 C ATOM 1686 CE LYS A 109 8.069 3.670 -7.619 1.00 72.33 C ATOM 1687 NZ LYS A 109 7.918 2.555 -6.651 1.00 31.15 N ATOM 0 H LYS A 109 3.829 5.878 -7.179 1.00 74.05 H new ATOM 0 HA LYS A 109 6.211 7.462 -7.014 1.00 24.22 H new ATOM 0 HB2 LYS A 109 4.780 5.890 -9.113 1.00 44.22 H new ATOM 0 HB3 LYS A 109 5.757 7.221 -9.701 1.00 44.22 H new ATOM 0 HG2 LYS A 109 7.085 5.177 -9.737 1.00 52.45 H new ATOM 0 HG3 LYS A 109 7.757 6.275 -8.547 1.00 52.45 H new ATOM 0 HD2 LYS A 109 6.619 4.995 -6.721 1.00 32.53 H new ATOM 0 HD3 LYS A 109 5.941 3.899 -7.909 1.00 32.53 H new ATOM 0 HE2 LYS A 109 8.292 3.267 -8.607 1.00 72.33 H new ATOM 0 HE3 LYS A 109 8.917 4.291 -7.329 1.00 72.33 H new ATOM 0 HZ1 LYS A 109 8.535 2.722 -5.831 1.00 31.15 H new ATOM 0 HZ2 LYS A 109 6.929 2.501 -6.335 1.00 31.15 H new ATOM 0 HZ3 LYS A 109 8.185 1.660 -7.108 1.00 31.15 H new ATOM 1701 N THR A 110 3.424 8.889 -8.078 1.00 74.01 N ATOM 1702 CA THR A 110 2.777 10.171 -8.422 1.00 21.43 C ATOM 1703 C THR A 110 3.081 11.243 -7.347 1.00 63.50 C ATOM 1704 O THR A 110 3.479 12.370 -7.676 1.00 51.22 O ATOM 1705 CB THR A 110 1.228 9.988 -8.599 1.00 1.42 C ATOM 1706 OG1 THR A 110 0.967 8.996 -9.610 1.00 24.43 O ATOM 1707 CG2 THR A 110 0.511 11.301 -8.987 1.00 10.40 C ATOM 0 H THR A 110 2.767 8.119 -7.952 1.00 74.01 H new ATOM 0 HA THR A 110 3.188 10.512 -9.372 1.00 21.43 H new ATOM 0 HB THR A 110 0.835 9.669 -7.633 1.00 1.42 H new ATOM 0 HG1 THR A 110 1.356 8.139 -9.336 1.00 24.43 H new ATOM 0 HG21 THR A 110 -0.557 11.114 -9.096 1.00 10.40 H new ATOM 0 HG22 THR A 110 0.671 12.047 -8.208 1.00 10.40 H new ATOM 0 HG23 THR A 110 0.913 11.670 -9.931 1.00 10.40 H new ATOM 1715 N VAL A 111 2.927 10.864 -6.060 1.00 22.31 N ATOM 1716 CA VAL A 111 3.229 11.759 -4.925 1.00 51.41 C ATOM 1717 C VAL A 111 4.749 11.947 -4.745 1.00 24.32 C ATOM 1718 O VAL A 111 5.204 13.056 -4.428 1.00 5.14 O ATOM 1719 CB VAL A 111 2.570 11.271 -3.577 1.00 23.03 C ATOM 1720 CG1 VAL A 111 1.031 11.347 -3.653 1.00 11.41 C ATOM 1721 CG2 VAL A 111 3.032 9.848 -3.179 1.00 22.04 C ATOM 0 H VAL A 111 2.594 9.941 -5.782 1.00 22.31 H new ATOM 0 HA VAL A 111 2.787 12.724 -5.171 1.00 51.41 H new ATOM 0 HB VAL A 111 2.911 11.949 -2.795 1.00 23.03 H new ATOM 0 HG11 VAL A 111 0.603 11.005 -2.711 1.00 11.41 H new ATOM 0 HG12 VAL A 111 0.726 12.377 -3.837 1.00 11.41 H new ATOM 0 HG13 VAL A 111 0.675 10.713 -4.465 1.00 11.41 H new ATOM 0 HG21 VAL A 111 2.551 9.557 -2.245 1.00 22.04 H new ATOM 0 HG22 VAL A 111 2.757 9.143 -3.964 1.00 22.04 H new ATOM 0 HG23 VAL A 111 4.114 9.840 -3.048 1.00 22.04 H new ATOM 1731 N ALA A 112 5.522 10.865 -4.993 1.00 30.10 N ATOM 1732 CA ALA A 112 6.984 10.858 -4.813 1.00 14.44 C ATOM 1733 C ALA A 112 7.677 11.847 -5.768 1.00 42.03 C ATOM 1734 O ALA A 112 8.570 12.587 -5.357 1.00 65.11 O ATOM 1735 CB ALA A 112 7.543 9.442 -5.000 1.00 42.13 C ATOM 0 H ALA A 112 5.146 9.976 -5.323 1.00 30.10 H new ATOM 0 HA ALA A 112 7.194 11.183 -3.794 1.00 14.44 H new ATOM 0 HB1 ALA A 112 8.624 9.457 -4.863 1.00 42.13 H new ATOM 0 HB2 ALA A 112 7.093 8.773 -4.266 1.00 42.13 H new ATOM 0 HB3 ALA A 112 7.309 9.088 -6.004 1.00 42.13 H new ATOM 1741 N ASN A 113 7.222 11.868 -7.032 1.00 60.43 N ATOM 1742 CA ASN A 113 7.784 12.738 -8.089 1.00 11.24 C ATOM 1743 C ASN A 113 7.591 14.232 -7.763 1.00 14.12 C ATOM 1744 O ASN A 113 8.461 15.060 -8.060 1.00 20.13 O ATOM 1745 CB ASN A 113 7.153 12.397 -9.470 1.00 25.43 C ATOM 1746 CG ASN A 113 7.582 11.021 -10.007 1.00 42.31 C ATOM 1747 OD1 ASN A 113 8.711 10.576 -9.794 1.00 45.01 O ATOM 1748 ND2 ASN A 113 6.679 10.331 -10.691 1.00 1.05 N ATOM 0 H ASN A 113 6.452 11.282 -7.354 1.00 60.43 H new ATOM 0 HA ASN A 113 8.856 12.547 -8.134 1.00 11.24 H new ATOM 0 HB2 ASN A 113 6.067 12.424 -9.383 1.00 25.43 H new ATOM 0 HB3 ASN A 113 7.434 13.165 -10.191 1.00 25.43 H new ATOM 0 HD21 ASN A 113 6.912 9.407 -11.056 1.00 1.05 H new ATOM 0 HD22 ASN A 113 5.752 10.724 -10.852 1.00 1.05 H new ATOM 1755 N MET A 114 6.460 14.554 -7.115 1.00 70.05 N ATOM 1756 CA MET A 114 6.088 15.945 -6.790 1.00 2.23 C ATOM 1757 C MET A 114 6.850 16.470 -5.557 1.00 73.34 C ATOM 1758 O MET A 114 6.957 17.682 -5.366 1.00 55.32 O ATOM 1759 CB MET A 114 4.555 16.058 -6.576 1.00 60.43 C ATOM 1760 CG MET A 114 3.716 15.653 -7.801 1.00 32.03 C ATOM 1761 SD MET A 114 1.942 15.940 -7.582 1.00 2.41 S ATOM 1762 CE MET A 114 1.578 14.989 -6.102 1.00 52.42 C ATOM 0 H MET A 114 5.779 13.862 -6.802 1.00 70.05 H new ATOM 0 HA MET A 114 6.373 16.569 -7.637 1.00 2.23 H new ATOM 0 HB2 MET A 114 4.270 15.431 -5.731 1.00 60.43 H new ATOM 0 HB3 MET A 114 4.312 17.086 -6.307 1.00 60.43 H new ATOM 0 HG2 MET A 114 4.063 16.212 -8.671 1.00 32.03 H new ATOM 0 HG3 MET A 114 3.882 14.597 -8.013 1.00 32.03 H new ATOM 0 HE1 MET A 114 0.583 15.247 -5.739 1.00 52.42 H new ATOM 0 HE2 MET A 114 1.614 13.925 -6.335 1.00 52.42 H new ATOM 0 HE3 MET A 114 2.316 15.217 -5.333 1.00 52.42 H new ATOM 1772 N ILE A 115 7.371 15.559 -4.716 1.00 23.14 N ATOM 1773 CA ILE A 115 8.126 15.934 -3.492 1.00 32.33 C ATOM 1774 C ILE A 115 9.652 15.813 -3.684 1.00 64.03 C ATOM 1775 O ILE A 115 10.408 16.087 -2.744 1.00 42.44 O ATOM 1776 CB ILE A 115 7.671 15.095 -2.246 1.00 13.13 C ATOM 1777 CG1 ILE A 115 7.977 13.578 -2.453 1.00 53.13 C ATOM 1778 CG2 ILE A 115 6.174 15.344 -1.953 1.00 74.15 C ATOM 1779 CD1 ILE A 115 7.681 12.678 -1.272 1.00 55.22 C ATOM 0 H ILE A 115 7.286 14.552 -4.857 1.00 23.14 H new ATOM 0 HA ILE A 115 7.894 16.983 -3.305 1.00 32.33 H new ATOM 0 HB ILE A 115 8.241 15.421 -1.376 1.00 13.13 H new ATOM 0 HG12 ILE A 115 7.401 13.224 -3.308 1.00 53.13 H new ATOM 0 HG13 ILE A 115 9.030 13.471 -2.712 1.00 53.13 H new ATOM 0 HG21 ILE A 115 5.870 14.757 -1.087 1.00 74.15 H new ATOM 0 HG22 ILE A 115 6.015 16.403 -1.748 1.00 74.15 H new ATOM 0 HG23 ILE A 115 5.580 15.049 -2.818 1.00 74.15 H new ATOM 0 HD11 ILE A 115 7.931 11.648 -1.528 1.00 55.22 H new ATOM 0 HD12 ILE A 115 8.277 12.994 -0.415 1.00 55.22 H new ATOM 0 HD13 ILE A 115 6.622 12.743 -1.021 1.00 55.22 H new ATOM 1791 N ARG A 116 10.095 15.378 -4.882 1.00 70.21 N ATOM 1792 CA ARG A 116 11.533 15.310 -5.225 1.00 41.42 C ATOM 1793 C ARG A 116 12.145 16.729 -5.241 1.00 5.34 C ATOM 1794 O ARG A 116 12.057 17.445 -6.245 1.00 34.01 O ATOM 1795 CB ARG A 116 11.750 14.607 -6.597 1.00 10.21 C ATOM 1796 CG ARG A 116 11.411 13.106 -6.614 1.00 24.11 C ATOM 1797 CD ARG A 116 11.623 12.456 -7.988 1.00 43.14 C ATOM 1798 NE ARG A 116 13.033 12.494 -8.418 1.00 34.33 N ATOM 1799 CZ ARG A 116 13.453 12.684 -9.677 1.00 23.43 C ATOM 1800 NH1 ARG A 116 12.586 12.874 -10.671 1.00 52.55 N ATOM 1801 NH2 ARG A 116 14.748 12.671 -9.947 1.00 24.01 N ATOM 0 H ARG A 116 9.476 15.067 -5.631 1.00 70.21 H new ATOM 0 HA ARG A 116 12.038 14.717 -4.462 1.00 41.42 H new ATOM 0 HB2 ARG A 116 11.141 15.111 -7.348 1.00 10.21 H new ATOM 0 HB3 ARG A 116 12.791 14.733 -6.893 1.00 10.21 H new ATOM 0 HG2 ARG A 116 12.028 12.592 -5.877 1.00 24.11 H new ATOM 0 HG3 ARG A 116 10.373 12.971 -6.311 1.00 24.11 H new ATOM 0 HD2 ARG A 116 11.285 11.420 -7.953 1.00 43.14 H new ATOM 0 HD3 ARG A 116 11.007 12.967 -8.728 1.00 43.14 H new ATOM 0 HE ARG A 116 13.746 12.365 -7.700 1.00 34.33 H new ATOM 0 HH11 ARG A 116 11.584 12.877 -10.480 1.00 52.55 H new ATOM 0 HH12 ARG A 116 12.924 13.017 -11.623 1.00 52.55 H new ATOM 0 HH21 ARG A 116 15.424 12.517 -9.198 1.00 24.01 H new ATOM 0 HH22 ARG A 116 15.071 12.815 -10.904 1.00 24.01 H new ATOM 1815 N GLY A 117 12.718 17.131 -4.095 1.00 71.10 N ATOM 1816 CA GLY A 117 13.381 18.432 -3.957 1.00 5.42 C ATOM 1817 C GLY A 117 14.834 18.392 -4.438 1.00 10.50 C ATOM 1818 O GLY A 117 15.343 19.417 -4.932 1.00 54.12 O ATOM 1819 OXT GLY A 117 15.476 17.326 -4.314 1.00 37.07 O ATOM 0 H GLY A 117 12.734 16.566 -3.246 1.00 71.10 H new ATOM 0 HA2 GLY A 117 12.831 19.181 -4.527 1.00 5.42 H new ATOM 0 HA3 GLY A 117 13.354 18.743 -2.913 1.00 5.42 H new ATOM 1824 N SER B 2 18.125 -14.983 16.627 1.00 62.42 N ATOM 1825 CA SER B 2 19.043 -13.827 16.673 1.00 63.44 C ATOM 1826 C SER B 2 18.488 -12.650 15.849 1.00 1.41 C ATOM 1827 O SER B 2 17.621 -12.834 14.978 1.00 3.32 O ATOM 1828 CB SER B 2 20.445 -14.255 16.169 1.00 33.12 C ATOM 1829 OG SER B 2 20.378 -14.882 14.898 1.00 40.25 O ATOM 0 HA SER B 2 19.133 -13.486 17.704 1.00 63.44 H new ATOM 0 HB2 SER B 2 21.093 -13.380 16.109 1.00 33.12 H new ATOM 0 HB3 SER B 2 20.897 -14.938 16.888 1.00 33.12 H new ATOM 0 HG SER B 2 19.486 -15.268 14.770 1.00 40.25 H new ATOM 1837 N LEU B 3 18.984 -11.441 16.160 1.00 43.11 N ATOM 1838 CA LEU B 3 18.613 -10.198 15.465 1.00 4.11 C ATOM 1839 C LEU B 3 19.178 -10.200 14.029 1.00 44.23 C ATOM 1840 O LEU B 3 20.400 -10.256 13.845 1.00 24.04 O ATOM 1841 CB LEU B 3 19.176 -8.978 16.246 1.00 32.21 C ATOM 1842 CG LEU B 3 18.707 -8.823 17.729 1.00 61.44 C ATOM 1843 CD1 LEU B 3 19.504 -7.712 18.452 1.00 71.23 C ATOM 1844 CD2 LEU B 3 17.191 -8.559 17.809 1.00 23.41 C ATOM 0 H LEU B 3 19.661 -11.298 16.909 1.00 43.11 H new ATOM 0 HA LEU B 3 17.526 -10.130 15.416 1.00 4.11 H new ATOM 0 HB2 LEU B 3 20.264 -9.040 16.237 1.00 32.21 H new ATOM 0 HB3 LEU B 3 18.904 -8.072 15.705 1.00 32.21 H new ATOM 0 HG LEU B 3 18.908 -9.764 18.240 1.00 61.44 H new ATOM 0 HD11 LEU B 3 19.157 -7.626 19.482 1.00 71.23 H new ATOM 0 HD12 LEU B 3 20.565 -7.963 18.447 1.00 71.23 H new ATOM 0 HD13 LEU B 3 19.353 -6.763 17.938 1.00 71.23 H new ATOM 0 HD21 LEU B 3 16.894 -8.456 18.853 1.00 23.41 H new ATOM 0 HD22 LEU B 3 16.953 -7.641 17.271 1.00 23.41 H new ATOM 0 HD23 LEU B 3 16.652 -9.393 17.360 1.00 23.41 H new ATOM 1856 N VAL B 4 18.292 -10.150 13.021 1.00 52.32 N ATOM 1857 CA VAL B 4 18.701 -10.036 11.611 1.00 15.43 C ATOM 1858 C VAL B 4 19.038 -8.569 11.290 1.00 54.41 C ATOM 1859 O VAL B 4 18.260 -7.648 11.570 1.00 2.43 O ATOM 1860 CB VAL B 4 17.627 -10.611 10.609 1.00 53.53 C ATOM 1861 CG1 VAL B 4 17.518 -12.147 10.764 1.00 61.21 C ATOM 1862 CG2 VAL B 4 16.248 -9.928 10.786 1.00 74.15 C ATOM 0 H VAL B 4 17.282 -10.187 13.158 1.00 52.32 H new ATOM 0 HA VAL B 4 19.591 -10.651 11.474 1.00 15.43 H new ATOM 0 HB VAL B 4 17.961 -10.388 9.596 1.00 53.53 H new ATOM 0 HG11 VAL B 4 16.773 -12.531 10.067 1.00 61.21 H new ATOM 0 HG12 VAL B 4 18.484 -12.604 10.551 1.00 61.21 H new ATOM 0 HG13 VAL B 4 17.219 -12.389 11.784 1.00 61.21 H new ATOM 0 HG21 VAL B 4 15.538 -10.353 10.077 1.00 74.15 H new ATOM 0 HG22 VAL B 4 15.889 -10.092 11.802 1.00 74.15 H new ATOM 0 HG23 VAL B 4 16.346 -8.858 10.604 1.00 74.15 H new ATOM 1872 N LYS B 5 20.232 -8.375 10.738 1.00 41.15 N ATOM 1873 CA LYS B 5 20.808 -7.057 10.498 1.00 34.25 C ATOM 1874 C LYS B 5 20.370 -6.551 9.121 1.00 41.55 C ATOM 1875 O LYS B 5 20.690 -7.154 8.098 1.00 45.44 O ATOM 1876 CB LYS B 5 22.347 -7.167 10.619 1.00 63.42 C ATOM 1877 CG LYS B 5 22.814 -7.787 11.957 1.00 65.05 C ATOM 1878 CD LYS B 5 24.349 -7.830 12.099 1.00 23.10 C ATOM 1879 CE LYS B 5 24.793 -8.474 13.419 1.00 45.21 C ATOM 1880 NZ LYS B 5 26.257 -8.371 13.628 1.00 21.35 N ATOM 0 H LYS B 5 20.836 -9.142 10.440 1.00 41.15 H new ATOM 0 HA LYS B 5 20.457 -6.334 11.234 1.00 34.25 H new ATOM 0 HB2 LYS B 5 22.727 -7.771 9.795 1.00 63.42 H new ATOM 0 HB3 LYS B 5 22.784 -6.174 10.515 1.00 63.42 H new ATOM 0 HG2 LYS B 5 22.394 -7.213 12.783 1.00 65.05 H new ATOM 0 HG3 LYS B 5 22.419 -8.799 12.039 1.00 65.05 H new ATOM 0 HD2 LYS B 5 24.774 -8.388 11.264 1.00 23.10 H new ATOM 0 HD3 LYS B 5 24.746 -6.817 12.040 1.00 23.10 H new ATOM 0 HE2 LYS B 5 24.275 -7.993 14.248 1.00 45.21 H new ATOM 0 HE3 LYS B 5 24.500 -9.524 13.426 1.00 45.21 H new ATOM 0 HZ1 LYS B 5 26.511 -8.819 14.531 1.00 21.35 H new ATOM 0 HZ2 LYS B 5 26.753 -8.852 12.851 1.00 21.35 H new ATOM 0 HZ3 LYS B 5 26.535 -7.369 13.648 1.00 21.35 H new ATOM 1894 N LEU B 6 19.571 -5.484 9.110 1.00 3.14 N ATOM 1895 CA LEU B 6 19.052 -4.875 7.881 1.00 53.31 C ATOM 1896 C LEU B 6 19.623 -3.465 7.761 1.00 31.32 C ATOM 1897 O LEU B 6 19.209 -2.557 8.489 1.00 10.33 O ATOM 1898 CB LEU B 6 17.497 -4.845 7.904 1.00 34.12 C ATOM 1899 CG LEU B 6 16.783 -6.214 8.151 1.00 11.21 C ATOM 1900 CD1 LEU B 6 15.255 -6.050 8.118 1.00 3.30 C ATOM 1901 CD2 LEU B 6 17.255 -7.305 7.162 1.00 31.11 C ATOM 0 H LEU B 6 19.262 -5.013 9.960 1.00 3.14 H new ATOM 0 HA LEU B 6 19.355 -5.465 7.016 1.00 53.31 H new ATOM 0 HB2 LEU B 6 17.179 -4.148 8.680 1.00 34.12 H new ATOM 0 HB3 LEU B 6 17.148 -4.444 6.953 1.00 34.12 H new ATOM 0 HG LEU B 6 17.066 -6.551 9.148 1.00 11.21 H new ATOM 0 HD11 LEU B 6 14.782 -7.016 8.292 1.00 3.30 H new ATOM 0 HD12 LEU B 6 14.947 -5.350 8.895 1.00 3.30 H new ATOM 0 HD13 LEU B 6 14.951 -5.668 7.144 1.00 3.30 H new ATOM 0 HD21 LEU B 6 16.732 -8.238 7.372 1.00 31.11 H new ATOM 0 HD22 LEU B 6 17.038 -6.989 6.141 1.00 31.11 H new ATOM 0 HD23 LEU B 6 18.328 -7.458 7.274 1.00 31.11 H new ATOM 1913 N GLU B 7 20.617 -3.296 6.881 1.00 13.00 N ATOM 1914 CA GLU B 7 21.261 -1.998 6.659 1.00 33.35 C ATOM 1915 C GLU B 7 20.350 -1.098 5.817 1.00 40.50 C ATOM 1916 O GLU B 7 19.555 -1.575 5.003 1.00 62.42 O ATOM 1917 CB GLU B 7 22.656 -2.146 5.986 1.00 2.12 C ATOM 1918 CG GLU B 7 23.726 -2.872 6.833 1.00 42.54 C ATOM 1919 CD GLU B 7 23.402 -4.353 7.106 1.00 34.42 C ATOM 1920 OE1 GLU B 7 23.157 -4.724 8.278 1.00 53.45 O ATOM 1921 OE2 GLU B 7 23.361 -5.139 6.134 1.00 24.35 O ATOM 0 H GLU B 7 20.995 -4.050 6.307 1.00 13.00 H new ATOM 0 HA GLU B 7 21.422 -1.537 7.633 1.00 33.35 H new ATOM 0 HB2 GLU B 7 22.532 -2.686 5.047 1.00 2.12 H new ATOM 0 HB3 GLU B 7 23.027 -1.152 5.736 1.00 2.12 H new ATOM 0 HG2 GLU B 7 24.686 -2.808 6.321 1.00 42.54 H new ATOM 0 HG3 GLU B 7 23.837 -2.352 7.785 1.00 42.54 H new ATOM 1928 N SER B 8 20.466 0.200 6.038 1.00 2.53 N ATOM 1929 CA SER B 8 19.707 1.221 5.309 1.00 1.11 C ATOM 1930 C SER B 8 20.457 1.676 4.043 1.00 22.10 C ATOM 1931 O SER B 8 21.490 1.095 3.671 1.00 73.22 O ATOM 1932 CB SER B 8 19.471 2.401 6.261 1.00 3.12 C ATOM 1933 OG SER B 8 20.684 2.833 6.862 1.00 15.53 O ATOM 0 H SER B 8 21.098 0.588 6.738 1.00 2.53 H new ATOM 0 HA SER B 8 18.754 0.809 4.978 1.00 1.11 H new ATOM 0 HB2 SER B 8 19.020 3.228 5.713 1.00 3.12 H new ATOM 0 HB3 SER B 8 18.763 2.109 7.036 1.00 3.12 H new ATOM 0 HG SER B 8 21.334 3.055 6.163 1.00 15.53 H new ATOM 1939 N SER B 9 19.899 2.699 3.371 1.00 1.04 N ATOM 1940 CA SER B 9 20.588 3.435 2.301 1.00 23.33 C ATOM 1941 C SER B 9 21.900 4.061 2.832 1.00 64.05 C ATOM 1942 O SER B 9 22.899 4.156 2.112 1.00 1.22 O ATOM 1943 CB SER B 9 19.656 4.529 1.730 1.00 62.12 C ATOM 1944 OG SER B 9 20.265 5.223 0.650 1.00 22.21 O ATOM 0 H SER B 9 18.955 3.038 3.557 1.00 1.04 H new ATOM 0 HA SER B 9 20.843 2.739 1.502 1.00 23.33 H new ATOM 0 HB2 SER B 9 18.725 4.074 1.392 1.00 62.12 H new ATOM 0 HB3 SER B 9 19.398 5.236 2.518 1.00 62.12 H new ATOM 0 HG SER B 9 19.649 5.906 0.311 1.00 22.21 H new ATOM 1950 N ASP B 10 21.880 4.445 4.123 1.00 31.42 N ATOM 1951 CA ASP B 10 23.038 5.019 4.837 1.00 61.24 C ATOM 1952 C ASP B 10 23.973 3.916 5.381 1.00 62.32 C ATOM 1953 O ASP B 10 24.959 4.222 6.058 1.00 43.44 O ATOM 1954 CB ASP B 10 22.525 5.904 6.002 1.00 34.12 C ATOM 1955 CG ASP B 10 21.635 7.059 5.523 1.00 3.44 C ATOM 1956 OD1 ASP B 10 20.426 6.835 5.278 1.00 72.11 O ATOM 1957 OD2 ASP B 10 22.134 8.193 5.401 1.00 3.34 O ATOM 0 H ASP B 10 21.048 4.364 4.708 1.00 31.42 H new ATOM 0 HA ASP B 10 23.615 5.621 4.135 1.00 61.24 H new ATOM 0 HB2 ASP B 10 21.964 5.285 6.703 1.00 34.12 H new ATOM 0 HB3 ASP B 10 23.377 6.310 6.547 1.00 34.12 H new ATOM 1962 N GLU B 11 23.626 2.638 5.089 1.00 62.05 N ATOM 1963 CA GLU B 11 24.398 1.434 5.487 1.00 53.50 C ATOM 1964 C GLU B 11 24.431 1.239 7.018 1.00 43.13 C ATOM 1965 O GLU B 11 25.271 0.497 7.537 1.00 35.44 O ATOM 1966 CB GLU B 11 25.834 1.466 4.882 1.00 43.05 C ATOM 1967 CG GLU B 11 25.869 1.476 3.338 1.00 24.33 C ATOM 1968 CD GLU B 11 27.286 1.654 2.770 1.00 34.02 C ATOM 1969 OE1 GLU B 11 27.711 2.807 2.547 1.00 35.12 O ATOM 1970 OE2 GLU B 11 27.991 0.648 2.558 1.00 75.24 O ATOM 0 H GLU B 11 22.784 2.411 4.559 1.00 62.05 H new ATOM 0 HA GLU B 11 23.879 0.568 5.075 1.00 53.50 H new ATOM 0 HB2 GLU B 11 26.353 2.350 5.252 1.00 43.05 H new ATOM 0 HB3 GLU B 11 26.387 0.598 5.241 1.00 43.05 H new ATOM 0 HG2 GLU B 11 25.449 0.542 2.965 1.00 24.33 H new ATOM 0 HG3 GLU B 11 25.233 2.281 2.971 1.00 24.33 H new ATOM 1977 N LYS B 12 23.483 1.880 7.725 1.00 12.34 N ATOM 1978 CA LYS B 12 23.370 1.766 9.186 1.00 31.13 C ATOM 1979 C LYS B 12 22.679 0.444 9.536 1.00 31.21 C ATOM 1980 O LYS B 12 21.573 0.180 9.064 1.00 35.22 O ATOM 1981 CB LYS B 12 22.605 2.985 9.771 1.00 31.52 C ATOM 1982 CG LYS B 12 23.320 4.330 9.522 1.00 1.13 C ATOM 1983 CD LYS B 12 22.684 5.520 10.278 1.00 32.40 C ATOM 1984 CE LYS B 12 23.414 6.841 9.989 1.00 14.23 C ATOM 1985 NZ LYS B 12 22.788 7.992 10.689 1.00 42.34 N ATOM 0 H LYS B 12 22.780 2.486 7.302 1.00 12.34 H new ATOM 0 HA LYS B 12 24.364 1.767 9.632 1.00 31.13 H new ATOM 0 HB2 LYS B 12 21.608 3.024 9.332 1.00 31.52 H new ATOM 0 HB3 LYS B 12 22.475 2.843 10.844 1.00 31.52 H new ATOM 0 HG2 LYS B 12 24.364 4.237 9.821 1.00 1.13 H new ATOM 0 HG3 LYS B 12 23.312 4.544 8.453 1.00 1.13 H new ATOM 0 HD2 LYS B 12 21.637 5.614 9.991 1.00 32.40 H new ATOM 0 HD3 LYS B 12 22.704 5.321 11.350 1.00 32.40 H new ATOM 0 HE2 LYS B 12 24.456 6.753 10.297 1.00 14.23 H new ATOM 0 HE3 LYS B 12 23.414 7.027 8.915 1.00 14.23 H new ATOM 0 HZ1 LYS B 12 23.313 8.862 10.465 1.00 42.34 H new ATOM 0 HZ2 LYS B 12 21.801 8.093 10.377 1.00 42.34 H new ATOM 0 HZ3 LYS B 12 22.811 7.828 11.716 1.00 42.34 H new ATOM 1999 N VAL B 13 23.367 -0.369 10.345 1.00 3.23 N ATOM 2000 CA VAL B 13 22.960 -1.735 10.693 1.00 73.30 C ATOM 2001 C VAL B 13 21.801 -1.716 11.705 1.00 62.02 C ATOM 2002 O VAL B 13 21.996 -1.389 12.880 1.00 62.32 O ATOM 2003 CB VAL B 13 24.187 -2.531 11.283 1.00 52.01 C ATOM 2004 CG1 VAL B 13 23.800 -3.968 11.693 1.00 74.55 C ATOM 2005 CG2 VAL B 13 25.374 -2.530 10.286 1.00 24.31 C ATOM 0 H VAL B 13 24.243 -0.089 10.786 1.00 3.23 H new ATOM 0 HA VAL B 13 22.616 -2.235 9.788 1.00 73.30 H new ATOM 0 HB VAL B 13 24.504 -2.017 12.190 1.00 52.01 H new ATOM 0 HG11 VAL B 13 24.675 -4.480 12.094 1.00 74.55 H new ATOM 0 HG12 VAL B 13 23.020 -3.932 12.454 1.00 74.55 H new ATOM 0 HG13 VAL B 13 23.431 -4.508 10.821 1.00 74.55 H new ATOM 0 HG21 VAL B 13 26.209 -3.085 10.714 1.00 24.31 H new ATOM 0 HG22 VAL B 13 25.066 -3.001 9.353 1.00 24.31 H new ATOM 0 HG23 VAL B 13 25.683 -1.503 10.089 1.00 24.31 H new ATOM 2015 N PHE B 14 20.591 -2.021 11.230 1.00 21.42 N ATOM 2016 CA PHE B 14 19.410 -2.148 12.090 1.00 25.55 C ATOM 2017 C PHE B 14 19.196 -3.622 12.447 1.00 21.32 C ATOM 2018 O PHE B 14 18.607 -4.386 11.677 1.00 13.44 O ATOM 2019 CB PHE B 14 18.168 -1.516 11.406 1.00 23.11 C ATOM 2020 CG PHE B 14 18.285 0.001 11.271 1.00 75.53 C ATOM 2021 CD1 PHE B 14 18.092 0.825 12.381 1.00 45.41 C ATOM 2022 CD2 PHE B 14 18.613 0.599 10.057 1.00 61.10 C ATOM 2023 CE1 PHE B 14 18.227 2.195 12.278 1.00 65.22 C ATOM 2024 CE2 PHE B 14 18.741 1.970 9.955 1.00 53.42 C ATOM 2025 CZ PHE B 14 18.551 2.767 11.065 1.00 4.11 C ATOM 0 H PHE B 14 20.402 -2.187 10.242 1.00 21.42 H new ATOM 0 HA PHE B 14 19.567 -1.600 13.019 1.00 25.55 H new ATOM 0 HB2 PHE B 14 18.038 -1.957 10.418 1.00 23.11 H new ATOM 0 HB3 PHE B 14 17.276 -1.759 11.983 1.00 23.11 H new ATOM 0 HD1 PHE B 14 17.834 0.385 13.333 1.00 45.41 H new ATOM 0 HD2 PHE B 14 18.769 -0.017 9.184 1.00 61.10 H new ATOM 0 HE1 PHE B 14 18.079 2.819 13.147 1.00 65.22 H new ATOM 0 HE2 PHE B 14 18.990 2.419 9.005 1.00 53.42 H new ATOM 0 HZ PHE B 14 18.656 3.839 10.984 1.00 4.11 H new ATOM 2035 N GLU B 15 19.737 -4.014 13.616 1.00 0.43 N ATOM 2036 CA GLU B 15 19.637 -5.379 14.148 1.00 1.01 C ATOM 2037 C GLU B 15 18.214 -5.607 14.688 1.00 31.43 C ATOM 2038 O GLU B 15 17.961 -5.514 15.894 1.00 64.43 O ATOM 2039 CB GLU B 15 20.694 -5.598 15.264 1.00 14.01 C ATOM 2040 CG GLU B 15 22.126 -5.205 14.867 1.00 51.52 C ATOM 2041 CD GLU B 15 23.138 -5.391 16.006 1.00 52.34 C ATOM 2042 OE1 GLU B 15 23.128 -4.586 16.957 1.00 55.41 O ATOM 2043 OE2 GLU B 15 23.947 -6.337 15.956 1.00 14.45 O ATOM 0 H GLU B 15 20.261 -3.382 14.221 1.00 0.43 H new ATOM 0 HA GLU B 15 19.834 -6.098 13.353 1.00 1.01 H new ATOM 0 HB2 GLU B 15 20.402 -5.022 16.142 1.00 14.01 H new ATOM 0 HB3 GLU B 15 20.686 -6.649 15.555 1.00 14.01 H new ATOM 0 HG2 GLU B 15 22.437 -5.804 14.011 1.00 51.52 H new ATOM 0 HG3 GLU B 15 22.135 -4.163 14.547 1.00 51.52 H new ATOM 2050 N ILE B 16 17.285 -5.845 13.767 1.00 43.35 N ATOM 2051 CA ILE B 16 15.865 -6.021 14.084 1.00 64.02 C ATOM 2052 C ILE B 16 15.591 -7.503 14.351 1.00 61.30 C ATOM 2053 O ILE B 16 16.239 -8.383 13.775 1.00 3.00 O ATOM 2054 CB ILE B 16 14.952 -5.468 12.915 1.00 40.44 C ATOM 2055 CG1 ILE B 16 13.436 -5.423 13.313 1.00 44.14 C ATOM 2056 CG2 ILE B 16 15.151 -6.277 11.618 1.00 5.40 C ATOM 2057 CD1 ILE B 16 13.097 -4.457 14.437 1.00 5.42 C ATOM 0 H ILE B 16 17.494 -5.922 12.772 1.00 43.35 H new ATOM 0 HA ILE B 16 15.621 -5.449 14.979 1.00 64.02 H new ATOM 0 HB ILE B 16 15.269 -4.441 12.732 1.00 40.44 H new ATOM 0 HG12 ILE B 16 12.852 -5.153 12.433 1.00 44.14 H new ATOM 0 HG13 ILE B 16 13.123 -6.425 13.608 1.00 44.14 H new ATOM 0 HG21 ILE B 16 14.510 -5.872 10.835 1.00 5.40 H new ATOM 0 HG22 ILE B 16 16.193 -6.211 11.304 1.00 5.40 H new ATOM 0 HG23 ILE B 16 14.891 -7.320 11.796 1.00 5.40 H new ATOM 0 HD11 ILE B 16 12.027 -4.497 14.641 1.00 5.42 H new ATOM 0 HD12 ILE B 16 13.648 -4.736 15.335 1.00 5.42 H new ATOM 0 HD13 ILE B 16 13.373 -3.445 14.142 1.00 5.42 H new ATOM 2069 N GLU B 17 14.656 -7.756 15.257 1.00 22.31 N ATOM 2070 CA GLU B 17 14.232 -9.104 15.623 1.00 50.24 C ATOM 2071 C GLU B 17 13.567 -9.766 14.391 1.00 64.41 C ATOM 2072 O GLU B 17 12.773 -9.123 13.698 1.00 54.55 O ATOM 2073 CB GLU B 17 13.298 -8.978 16.853 1.00 15.10 C ATOM 2074 CG GLU B 17 13.030 -10.266 17.647 1.00 31.34 C ATOM 2075 CD GLU B 17 11.997 -11.195 16.996 1.00 62.03 C ATOM 2076 OE1 GLU B 17 10.806 -10.823 16.967 1.00 2.54 O ATOM 2077 OE2 GLU B 17 12.371 -12.282 16.504 1.00 63.54 O ATOM 0 H GLU B 17 14.163 -7.022 15.766 1.00 22.31 H new ATOM 0 HA GLU B 17 15.063 -9.751 15.906 1.00 50.24 H new ATOM 0 HB2 GLU B 17 13.727 -8.242 17.533 1.00 15.10 H new ATOM 0 HB3 GLU B 17 12.341 -8.581 16.515 1.00 15.10 H new ATOM 0 HG2 GLU B 17 13.968 -10.809 17.767 1.00 31.34 H new ATOM 0 HG3 GLU B 17 12.686 -10.000 18.646 1.00 31.34 H new ATOM 2084 N LYS B 18 13.913 -11.043 14.131 1.00 73.41 N ATOM 2085 CA LYS B 18 13.616 -11.719 12.851 1.00 35.42 C ATOM 2086 C LYS B 18 12.101 -11.838 12.574 1.00 72.35 C ATOM 2087 O LYS B 18 11.677 -11.723 11.422 1.00 72.25 O ATOM 2088 CB LYS B 18 14.301 -13.113 12.808 1.00 62.41 C ATOM 2089 CG LYS B 18 14.223 -13.830 11.428 1.00 74.03 C ATOM 2090 CD LYS B 18 15.067 -15.129 11.369 1.00 0.24 C ATOM 2091 CE LYS B 18 14.540 -16.237 12.300 1.00 3.30 C ATOM 2092 NZ LYS B 18 13.215 -16.745 11.864 1.00 13.12 N ATOM 0 H LYS B 18 14.405 -11.634 14.801 1.00 73.41 H new ATOM 0 HA LYS B 18 14.025 -11.096 12.056 1.00 35.42 H new ATOM 0 HB2 LYS B 18 15.349 -12.997 13.084 1.00 62.41 H new ATOM 0 HB3 LYS B 18 13.842 -13.753 13.562 1.00 62.41 H new ATOM 0 HG2 LYS B 18 13.183 -14.069 11.208 1.00 74.03 H new ATOM 0 HG3 LYS B 18 14.564 -13.147 10.650 1.00 74.03 H new ATOM 0 HD2 LYS B 18 15.080 -15.500 10.344 1.00 0.24 H new ATOM 0 HD3 LYS B 18 16.098 -14.898 11.637 1.00 0.24 H new ATOM 0 HE2 LYS B 18 15.254 -17.060 12.324 1.00 3.30 H new ATOM 0 HE3 LYS B 18 14.464 -15.851 13.316 1.00 3.30 H new ATOM 0 HZ1 LYS B 18 12.657 -17.020 12.698 1.00 13.12 H new ATOM 0 HZ2 LYS B 18 12.712 -16.000 11.341 1.00 13.12 H new ATOM 0 HZ3 LYS B 18 13.346 -17.572 11.247 1.00 13.12 H new ATOM 2106 N GLU B 19 11.292 -12.031 13.636 1.00 33.01 N ATOM 2107 CA GLU B 19 9.820 -12.137 13.514 1.00 53.51 C ATOM 2108 C GLU B 19 9.196 -10.762 13.192 1.00 3.41 C ATOM 2109 O GLU B 19 8.145 -10.686 12.547 1.00 31.41 O ATOM 2110 CB GLU B 19 9.198 -12.750 14.800 1.00 62.54 C ATOM 2111 CG GLU B 19 7.681 -13.038 14.701 1.00 54.22 C ATOM 2112 CD GLU B 19 7.066 -13.658 15.969 1.00 53.30 C ATOM 2113 OE1 GLU B 19 6.083 -13.093 16.513 1.00 70.11 O ATOM 2114 OE2 GLU B 19 7.556 -14.706 16.429 1.00 13.12 O ATOM 0 H GLU B 19 11.634 -12.117 14.593 1.00 33.01 H new ATOM 0 HA GLU B 19 9.596 -12.808 12.685 1.00 53.51 H new ATOM 0 HB2 GLU B 19 9.718 -13.679 15.033 1.00 62.54 H new ATOM 0 HB3 GLU B 19 9.373 -12.070 15.633 1.00 62.54 H new ATOM 0 HG2 GLU B 19 7.161 -12.106 14.478 1.00 54.22 H new ATOM 0 HG3 GLU B 19 7.505 -13.710 13.861 1.00 54.22 H new ATOM 2121 N ILE B 20 9.865 -9.680 13.623 1.00 43.35 N ATOM 2122 CA ILE B 20 9.464 -8.296 13.277 1.00 20.30 C ATOM 2123 C ILE B 20 9.805 -8.010 11.793 1.00 73.40 C ATOM 2124 O ILE B 20 9.066 -7.312 11.091 1.00 11.12 O ATOM 2125 CB ILE B 20 10.160 -7.235 14.209 1.00 23.54 C ATOM 2126 CG1 ILE B 20 9.926 -7.590 15.707 1.00 50.23 C ATOM 2127 CG2 ILE B 20 9.670 -5.804 13.895 1.00 31.30 C ATOM 2128 CD1 ILE B 20 10.487 -6.599 16.717 1.00 3.20 C ATOM 0 H ILE B 20 10.693 -9.733 14.216 1.00 43.35 H new ATOM 0 HA ILE B 20 8.388 -8.209 13.430 1.00 20.30 H new ATOM 0 HB ILE B 20 11.232 -7.264 14.012 1.00 23.54 H new ATOM 0 HG12 ILE B 20 8.853 -7.684 15.876 1.00 50.23 H new ATOM 0 HG13 ILE B 20 10.366 -8.568 15.902 1.00 50.23 H new ATOM 0 HG21 ILE B 20 10.169 -5.095 14.556 1.00 31.30 H new ATOM 0 HG22 ILE B 20 9.902 -5.559 12.858 1.00 31.30 H new ATOM 0 HG23 ILE B 20 8.592 -5.746 14.049 1.00 31.30 H new ATOM 0 HD11 ILE B 20 10.267 -6.945 17.727 1.00 3.20 H new ATOM 0 HD12 ILE B 20 11.566 -6.519 16.588 1.00 3.20 H new ATOM 0 HD13 ILE B 20 10.030 -5.622 16.561 1.00 3.20 H new ATOM 2140 N ALA B 21 10.931 -8.578 11.328 1.00 33.04 N ATOM 2141 CA ALA B 21 11.329 -8.536 9.906 1.00 33.12 C ATOM 2142 C ALA B 21 10.392 -9.413 9.047 1.00 11.25 C ATOM 2143 O ALA B 21 10.256 -9.187 7.845 1.00 61.44 O ATOM 2144 CB ALA B 21 12.789 -8.981 9.749 1.00 11.43 C ATOM 0 H ALA B 21 11.591 -9.078 11.924 1.00 33.04 H new ATOM 0 HA ALA B 21 11.242 -7.508 9.553 1.00 33.12 H new ATOM 0 HB1 ALA B 21 13.069 -8.945 8.696 1.00 11.43 H new ATOM 0 HB2 ALA B 21 13.436 -8.314 10.319 1.00 11.43 H new ATOM 0 HB3 ALA B 21 12.901 -10.000 10.120 1.00 11.43 H new ATOM 2150 N CYS B 22 9.774 -10.430 9.685 1.00 21.33 N ATOM 2151 CA CYS B 22 8.738 -11.268 9.056 1.00 35.55 C ATOM 2152 C CYS B 22 7.390 -10.517 8.963 1.00 24.25 C ATOM 2153 O CYS B 22 6.588 -10.797 8.066 1.00 70.30 O ATOM 2154 CB CYS B 22 8.583 -12.602 9.812 1.00 64.22 C ATOM 2155 SG CYS B 22 10.090 -13.599 9.833 1.00 50.42 S ATOM 0 H CYS B 22 9.981 -10.691 10.649 1.00 21.33 H new ATOM 0 HA CYS B 22 9.058 -11.492 8.038 1.00 35.55 H new ATOM 0 HB2 CYS B 22 8.279 -12.396 10.838 1.00 64.22 H new ATOM 0 HB3 CYS B 22 7.781 -13.180 9.352 1.00 64.22 H new ATOM 0 HG CYS B 22 11.032 -12.949 10.449 1.00 50.42 H new ATOM 2161 N MET B 23 7.147 -9.562 9.898 1.00 52.33 N ATOM 2162 CA MET B 23 5.961 -8.658 9.847 1.00 34.14 C ATOM 2163 C MET B 23 6.021 -7.790 8.576 1.00 13.31 C ATOM 2164 O MET B 23 4.988 -7.430 7.992 1.00 2.01 O ATOM 2165 CB MET B 23 5.886 -7.756 11.111 1.00 45.11 C ATOM 2166 CG MET B 23 5.637 -8.505 12.428 1.00 5.03 C ATOM 2167 SD MET B 23 5.714 -7.424 13.875 1.00 71.45 S ATOM 2168 CE MET B 23 4.419 -6.228 13.521 1.00 1.52 C ATOM 0 H MET B 23 7.756 -9.396 10.699 1.00 52.33 H new ATOM 0 HA MET B 23 5.062 -9.274 9.822 1.00 34.14 H new ATOM 0 HB2 MET B 23 6.819 -7.199 11.198 1.00 45.11 H new ATOM 0 HB3 MET B 23 5.090 -7.024 10.970 1.00 45.11 H new ATOM 0 HG2 MET B 23 4.658 -8.983 12.389 1.00 5.03 H new ATOM 0 HG3 MET B 23 6.376 -9.299 12.534 1.00 5.03 H new ATOM 0 HE1 MET B 23 3.908 -5.960 14.446 1.00 1.52 H new ATOM 0 HE2 MET B 23 4.860 -5.335 13.078 1.00 1.52 H new ATOM 0 HE3 MET B 23 3.703 -6.663 12.824 1.00 1.52 H new ATOM 2178 N SER B 24 7.257 -7.455 8.178 1.00 31.33 N ATOM 2179 CA SER B 24 7.552 -6.930 6.847 1.00 21.13 C ATOM 2180 C SER B 24 7.453 -8.094 5.848 1.00 61.30 C ATOM 2181 O SER B 24 8.335 -8.952 5.814 1.00 3.53 O ATOM 2182 CB SER B 24 8.965 -6.302 6.829 1.00 20.32 C ATOM 2183 OG SER B 24 9.258 -5.742 5.564 1.00 62.42 O ATOM 0 H SER B 24 8.079 -7.543 8.776 1.00 31.33 H new ATOM 0 HA SER B 24 6.841 -6.150 6.573 1.00 21.13 H new ATOM 0 HB2 SER B 24 9.033 -5.531 7.596 1.00 20.32 H new ATOM 0 HB3 SER B 24 9.707 -7.062 7.074 1.00 20.32 H new ATOM 0 HG SER B 24 8.431 -5.656 5.045 1.00 62.42 H new ATOM 2189 N VAL B 25 6.355 -8.140 5.070 1.00 52.34 N ATOM 2190 CA VAL B 25 6.045 -9.290 4.199 1.00 44.34 C ATOM 2191 C VAL B 25 7.090 -9.452 3.072 1.00 65.23 C ATOM 2192 O VAL B 25 7.469 -10.575 2.757 1.00 30.13 O ATOM 2193 CB VAL B 25 4.595 -9.194 3.602 1.00 61.00 C ATOM 2194 CG1 VAL B 25 4.246 -10.421 2.711 1.00 25.31 C ATOM 2195 CG2 VAL B 25 3.543 -8.996 4.726 1.00 20.13 C ATOM 0 H VAL B 25 5.665 -7.390 5.027 1.00 52.34 H new ATOM 0 HA VAL B 25 6.089 -10.180 4.827 1.00 44.34 H new ATOM 0 HB VAL B 25 4.570 -8.316 2.956 1.00 61.00 H new ATOM 0 HG11 VAL B 25 3.234 -10.311 2.320 1.00 25.31 H new ATOM 0 HG12 VAL B 25 4.951 -10.481 1.882 1.00 25.31 H new ATOM 0 HG13 VAL B 25 4.308 -11.332 3.306 1.00 25.31 H new ATOM 0 HG21 VAL B 25 2.548 -8.933 4.286 1.00 20.13 H new ATOM 0 HG22 VAL B 25 3.582 -9.840 5.414 1.00 20.13 H new ATOM 0 HG23 VAL B 25 3.759 -8.076 5.269 1.00 20.13 H new ATOM 2205 N THR B 26 7.571 -8.326 2.502 1.00 32.20 N ATOM 2206 CA THR B 26 8.608 -8.336 1.441 1.00 61.04 C ATOM 2207 C THR B 26 9.927 -8.966 1.946 1.00 4.04 C ATOM 2208 O THR B 26 10.487 -9.855 1.289 1.00 44.13 O ATOM 2209 CB THR B 26 8.875 -6.895 0.896 1.00 55.34 C ATOM 2210 OG1 THR B 26 7.670 -6.372 0.317 1.00 63.13 O ATOM 2211 CG2 THR B 26 10.003 -6.836 -0.154 1.00 24.31 C ATOM 0 H THR B 26 7.256 -7.391 2.760 1.00 32.20 H new ATOM 0 HA THR B 26 8.226 -8.949 0.625 1.00 61.04 H new ATOM 0 HB THR B 26 9.197 -6.295 1.747 1.00 55.34 H new ATOM 0 HG1 THR B 26 7.806 -5.433 0.071 1.00 63.13 H new ATOM 0 HG21 THR B 26 10.135 -5.807 -0.489 1.00 24.31 H new ATOM 0 HG22 THR B 26 10.932 -7.195 0.289 1.00 24.31 H new ATOM 0 HG23 THR B 26 9.741 -7.464 -1.005 1.00 24.31 H new ATOM 2219 N ILE B 27 10.390 -8.517 3.132 1.00 51.14 N ATOM 2220 CA ILE B 27 11.627 -9.031 3.753 1.00 14.22 C ATOM 2221 C ILE B 27 11.444 -10.513 4.139 1.00 52.42 C ATOM 2222 O ILE B 27 12.348 -11.320 3.935 1.00 24.42 O ATOM 2223 CB ILE B 27 12.042 -8.174 5.007 1.00 1.02 C ATOM 2224 CG1 ILE B 27 12.278 -6.685 4.588 1.00 53.03 C ATOM 2225 CG2 ILE B 27 13.295 -8.760 5.718 1.00 71.41 C ATOM 2226 CD1 ILE B 27 12.591 -5.743 5.737 1.00 62.33 C ATOM 0 H ILE B 27 9.922 -7.796 3.680 1.00 51.14 H new ATOM 0 HA ILE B 27 12.434 -8.951 3.024 1.00 14.22 H new ATOM 0 HB ILE B 27 11.223 -8.210 5.725 1.00 1.02 H new ATOM 0 HG12 ILE B 27 13.100 -6.649 3.873 1.00 53.03 H new ATOM 0 HG13 ILE B 27 11.390 -6.322 4.071 1.00 53.03 H new ATOM 0 HG21 ILE B 27 13.549 -8.140 6.578 1.00 71.41 H new ATOM 0 HG22 ILE B 27 13.082 -9.775 6.053 1.00 71.41 H new ATOM 0 HG23 ILE B 27 14.134 -8.776 5.022 1.00 71.41 H new ATOM 0 HD11 ILE B 27 12.739 -4.735 5.351 1.00 62.33 H new ATOM 0 HD12 ILE B 27 11.761 -5.743 6.444 1.00 62.33 H new ATOM 0 HD13 ILE B 27 13.498 -6.075 6.243 1.00 62.33 H new ATOM 2238 N LYS B 28 10.236 -10.850 4.647 1.00 62.12 N ATOM 2239 CA LYS B 28 9.849 -12.230 5.007 1.00 72.23 C ATOM 2240 C LYS B 28 9.981 -13.167 3.795 1.00 0.44 C ATOM 2241 O LYS B 28 10.552 -14.251 3.907 1.00 51.42 O ATOM 2242 CB LYS B 28 8.386 -12.263 5.512 1.00 3.52 C ATOM 2243 CG LYS B 28 7.874 -13.665 5.943 1.00 30.41 C ATOM 2244 CD LYS B 28 6.367 -13.681 6.289 1.00 21.42 C ATOM 2245 CE LYS B 28 5.477 -13.230 5.114 1.00 74.52 C ATOM 2246 NZ LYS B 28 5.682 -14.054 3.889 1.00 20.34 N ATOM 0 H LYS B 28 9.499 -10.166 4.819 1.00 62.12 H new ATOM 0 HA LYS B 28 10.518 -12.570 5.798 1.00 72.23 H new ATOM 0 HB2 LYS B 28 8.294 -11.583 6.359 1.00 3.52 H new ATOM 0 HB3 LYS B 28 7.736 -11.881 4.724 1.00 3.52 H new ATOM 0 HG2 LYS B 28 8.064 -14.377 5.140 1.00 30.41 H new ATOM 0 HG3 LYS B 28 8.443 -14.002 6.809 1.00 30.41 H new ATOM 0 HD2 LYS B 28 6.079 -14.688 6.590 1.00 21.42 H new ATOM 0 HD3 LYS B 28 6.189 -13.029 7.144 1.00 21.42 H new ATOM 0 HE2 LYS B 28 4.431 -13.286 5.414 1.00 74.52 H new ATOM 0 HE3 LYS B 28 5.687 -12.186 4.884 1.00 74.52 H new ATOM 0 HZ1 LYS B 28 6.068 -13.457 3.130 1.00 20.34 H new ATOM 0 HZ2 LYS B 28 6.349 -14.825 4.097 1.00 20.34 H new ATOM 0 HZ3 LYS B 28 4.772 -14.456 3.585 1.00 20.34 H new ATOM 2260 N ASN B 29 9.457 -12.705 2.636 1.00 11.21 N ATOM 2261 CA ASN B 29 9.470 -13.466 1.373 1.00 40.04 C ATOM 2262 C ASN B 29 10.911 -13.736 0.923 1.00 44.41 C ATOM 2263 O ASN B 29 11.234 -14.849 0.510 1.00 45.33 O ATOM 2264 CB ASN B 29 8.694 -12.712 0.254 1.00 60.33 C ATOM 2265 CG ASN B 29 7.189 -12.573 0.523 1.00 43.13 C ATOM 2266 OD1 ASN B 29 6.578 -13.405 1.201 1.00 60.44 O ATOM 2267 ND2 ASN B 29 6.579 -11.522 -0.011 1.00 4.40 N ATOM 0 H ASN B 29 9.013 -11.790 2.554 1.00 11.21 H new ATOM 0 HA ASN B 29 8.971 -14.418 1.553 1.00 40.04 H new ATOM 0 HB2 ASN B 29 9.125 -11.718 0.134 1.00 60.33 H new ATOM 0 HB3 ASN B 29 8.837 -13.237 -0.690 1.00 60.33 H new ATOM 0 HD21 ASN B 29 5.579 -11.385 0.134 1.00 4.40 H new ATOM 0 HD22 ASN B 29 7.111 -10.852 -0.566 1.00 4.40 H new ATOM 2274 N MET B 30 11.770 -12.699 1.047 1.00 60.31 N ATOM 2275 CA MET B 30 13.207 -12.787 0.730 1.00 64.45 C ATOM 2276 C MET B 30 13.890 -13.866 1.593 1.00 11.15 C ATOM 2277 O MET B 30 14.617 -14.712 1.067 1.00 34.24 O ATOM 2278 CB MET B 30 13.906 -11.411 0.933 1.00 44.20 C ATOM 2279 CG MET B 30 13.455 -10.310 -0.036 1.00 72.11 C ATOM 2280 SD MET B 30 14.269 -8.729 0.289 1.00 0.01 S ATOM 2281 CE MET B 30 13.617 -7.703 -1.030 1.00 51.34 C ATOM 0 H MET B 30 11.481 -11.776 1.371 1.00 60.31 H new ATOM 0 HA MET B 30 13.303 -13.069 -0.319 1.00 64.45 H new ATOM 0 HB2 MET B 30 13.724 -11.074 1.953 1.00 44.20 H new ATOM 0 HB3 MET B 30 14.982 -11.548 0.830 1.00 44.20 H new ATOM 0 HG2 MET B 30 13.667 -10.621 -1.059 1.00 72.11 H new ATOM 0 HG3 MET B 30 12.375 -10.182 0.041 1.00 72.11 H new ATOM 0 HE1 MET B 30 13.702 -6.653 -0.750 1.00 51.34 H new ATOM 0 HE2 MET B 30 14.183 -7.882 -1.944 1.00 51.34 H new ATOM 0 HE3 MET B 30 12.569 -7.950 -1.199 1.00 51.34 H new ATOM 2291 N ILE B 31 13.593 -13.840 2.913 1.00 1.32 N ATOM 2292 CA ILE B 31 14.107 -14.818 3.892 1.00 12.24 C ATOM 2293 C ILE B 31 13.705 -16.253 3.473 1.00 30.21 C ATOM 2294 O ILE B 31 14.552 -17.147 3.416 1.00 73.01 O ATOM 2295 CB ILE B 31 13.579 -14.494 5.357 1.00 50.11 C ATOM 2296 CG1 ILE B 31 14.112 -13.105 5.849 1.00 72.52 C ATOM 2297 CG2 ILE B 31 13.947 -15.612 6.367 1.00 23.40 C ATOM 2298 CD1 ILE B 31 13.561 -12.644 7.197 1.00 34.11 C ATOM 0 H ILE B 31 12.986 -13.134 3.328 1.00 1.32 H new ATOM 0 HA ILE B 31 15.195 -14.748 3.907 1.00 12.24 H new ATOM 0 HB ILE B 31 12.491 -14.448 5.304 1.00 50.11 H new ATOM 0 HG12 ILE B 31 15.199 -13.152 5.914 1.00 72.52 H new ATOM 0 HG13 ILE B 31 13.870 -12.353 5.098 1.00 72.52 H new ATOM 0 HG21 ILE B 31 13.567 -15.350 7.354 1.00 23.40 H new ATOM 0 HG22 ILE B 31 13.502 -16.554 6.045 1.00 23.40 H new ATOM 0 HG23 ILE B 31 15.031 -15.719 6.412 1.00 23.40 H new ATOM 0 HD11 ILE B 31 13.988 -11.674 7.452 1.00 34.11 H new ATOM 0 HD12 ILE B 31 12.476 -12.559 7.137 1.00 34.11 H new ATOM 0 HD13 ILE B 31 13.826 -13.370 7.966 1.00 34.11 H new ATOM 2310 N GLU B 32 12.418 -16.427 3.116 1.00 60.33 N ATOM 2311 CA GLU B 32 11.851 -17.732 2.708 1.00 64.11 C ATOM 2312 C GLU B 32 12.518 -18.270 1.426 1.00 72.13 C ATOM 2313 O GLU B 32 12.822 -19.466 1.344 1.00 61.21 O ATOM 2314 CB GLU B 32 10.318 -17.609 2.509 1.00 65.24 C ATOM 2315 CG GLU B 32 9.541 -17.272 3.799 1.00 31.25 C ATOM 2316 CD GLU B 32 8.052 -17.012 3.550 1.00 42.13 C ATOM 2317 OE1 GLU B 32 7.236 -17.954 3.668 1.00 50.41 O ATOM 2318 OE2 GLU B 32 7.689 -15.865 3.216 1.00 20.15 O ATOM 0 H GLU B 32 11.739 -15.666 3.102 1.00 60.33 H new ATOM 0 HA GLU B 32 12.053 -18.446 3.506 1.00 64.11 H new ATOM 0 HB2 GLU B 32 10.120 -16.837 1.766 1.00 65.24 H new ATOM 0 HB3 GLU B 32 9.939 -18.547 2.103 1.00 65.24 H new ATOM 0 HG2 GLU B 32 9.647 -18.095 4.506 1.00 31.25 H new ATOM 0 HG3 GLU B 32 9.985 -16.392 4.265 1.00 31.25 H new ATOM 2325 N ASP B 33 12.769 -17.369 0.451 1.00 32.43 N ATOM 2326 CA ASP B 33 13.384 -17.733 -0.845 1.00 42.11 C ATOM 2327 C ASP B 33 14.817 -18.251 -0.649 1.00 10.11 C ATOM 2328 O ASP B 33 15.207 -19.255 -1.249 1.00 73.53 O ATOM 2329 CB ASP B 33 13.403 -16.527 -1.829 1.00 34.11 C ATOM 2330 CG ASP B 33 12.015 -16.111 -2.344 1.00 20.11 C ATOM 2331 OD1 ASP B 33 11.249 -16.993 -2.797 1.00 2.41 O ATOM 2332 OD2 ASP B 33 11.698 -14.899 -2.345 1.00 72.44 O ATOM 0 H ASP B 33 12.553 -16.376 0.539 1.00 32.43 H new ATOM 0 HA ASP B 33 12.771 -18.525 -1.275 1.00 42.11 H new ATOM 0 HB2 ASP B 33 13.864 -15.674 -1.331 1.00 34.11 H new ATOM 0 HB3 ASP B 33 14.034 -16.778 -2.681 1.00 34.11 H new ATOM 2337 N ILE B 34 15.580 -17.553 0.213 1.00 24.43 N ATOM 2338 CA ILE B 34 16.981 -17.903 0.518 1.00 72.22 C ATOM 2339 C ILE B 34 17.049 -19.201 1.364 1.00 71.13 C ATOM 2340 O ILE B 34 18.015 -19.965 1.272 1.00 44.32 O ATOM 2341 CB ILE B 34 17.709 -16.720 1.275 1.00 74.43 C ATOM 2342 CG1 ILE B 34 17.619 -15.391 0.458 1.00 54.02 C ATOM 2343 CG2 ILE B 34 19.189 -17.063 1.565 1.00 1.23 C ATOM 2344 CD1 ILE B 34 18.127 -14.155 1.193 1.00 61.21 C ATOM 0 H ILE B 34 15.244 -16.732 0.717 1.00 24.43 H new ATOM 0 HA ILE B 34 17.496 -18.074 -0.427 1.00 72.22 H new ATOM 0 HB ILE B 34 17.196 -16.581 2.226 1.00 74.43 H new ATOM 0 HG12 ILE B 34 18.188 -15.508 -0.464 1.00 54.02 H new ATOM 0 HG13 ILE B 34 16.580 -15.226 0.172 1.00 54.02 H new ATOM 0 HG21 ILE B 34 19.660 -16.230 2.086 1.00 1.23 H new ATOM 0 HG22 ILE B 34 19.240 -17.956 2.188 1.00 1.23 H new ATOM 0 HG23 ILE B 34 19.711 -17.246 0.626 1.00 1.23 H new ATOM 0 HD11 ILE B 34 18.026 -13.281 0.549 1.00 61.21 H new ATOM 0 HD12 ILE B 34 17.543 -14.006 2.101 1.00 61.21 H new ATOM 0 HD13 ILE B 34 19.176 -14.293 1.455 1.00 61.21 H new ATOM 2356 N GLY B 35 15.993 -19.453 2.158 1.00 13.31 N ATOM 2357 CA GLY B 35 15.952 -20.602 3.073 1.00 31.42 C ATOM 2358 C GLY B 35 16.439 -20.239 4.467 1.00 12.24 C ATOM 2359 O GLY B 35 17.000 -21.087 5.173 1.00 20.41 O ATOM 0 H GLY B 35 15.155 -18.872 2.182 1.00 13.31 H new ATOM 0 HA2 GLY B 35 14.932 -20.981 3.133 1.00 31.42 H new ATOM 0 HA3 GLY B 35 16.568 -21.407 2.672 1.00 31.42 H new ATOM 2363 N GLU B 36 16.230 -18.956 4.831 1.00 75.00 N ATOM 2364 CA GLU B 36 16.556 -18.373 6.142 1.00 73.10 C ATOM 2365 C GLU B 36 18.072 -18.422 6.408 1.00 33.33 C ATOM 2366 O GLU B 36 18.595 -19.410 6.930 1.00 30.34 O ATOM 2367 CB GLU B 36 15.739 -19.043 7.285 1.00 71.20 C ATOM 2368 CG GLU B 36 15.914 -18.376 8.666 1.00 43.45 C ATOM 2369 CD GLU B 36 15.151 -19.112 9.774 1.00 70.01 C ATOM 2370 OE1 GLU B 36 13.955 -18.810 9.982 1.00 14.02 O ATOM 2371 OE2 GLU B 36 15.734 -20.006 10.428 1.00 53.03 O ATOM 0 H GLU B 36 15.814 -18.276 4.194 1.00 75.00 H new ATOM 0 HA GLU B 36 16.265 -17.323 6.122 1.00 73.10 H new ATOM 0 HB2 GLU B 36 14.682 -19.027 7.018 1.00 71.20 H new ATOM 0 HB3 GLU B 36 16.033 -20.090 7.360 1.00 71.20 H new ATOM 0 HG2 GLU B 36 16.974 -18.344 8.919 1.00 43.45 H new ATOM 0 HG3 GLU B 36 15.567 -17.344 8.614 1.00 43.45 H new ATOM 2378 N SER B 37 18.770 -17.353 6.019 1.00 32.35 N ATOM 2379 CA SER B 37 20.232 -17.244 6.148 1.00 75.13 C ATOM 2380 C SER B 37 20.603 -16.270 7.271 1.00 42.31 C ATOM 2381 O SER B 37 19.756 -15.504 7.752 1.00 61.15 O ATOM 2382 CB SER B 37 20.811 -16.780 4.799 1.00 44.31 C ATOM 2383 OG SER B 37 20.159 -15.601 4.346 1.00 34.54 O ATOM 0 H SER B 37 18.336 -16.529 5.602 1.00 32.35 H new ATOM 0 HA SER B 37 20.654 -18.215 6.408 1.00 75.13 H new ATOM 0 HB2 SER B 37 21.880 -16.592 4.903 1.00 44.31 H new ATOM 0 HB3 SER B 37 20.697 -17.571 4.058 1.00 44.31 H new ATOM 0 HG SER B 37 20.828 -14.957 4.032 1.00 34.54 H new ATOM 2389 N ASP B 38 21.881 -16.322 7.691 1.00 61.04 N ATOM 2390 CA ASP B 38 22.440 -15.370 8.672 1.00 72.33 C ATOM 2391 C ASP B 38 22.825 -14.050 7.961 1.00 72.31 C ATOM 2392 O ASP B 38 23.013 -13.021 8.619 1.00 62.45 O ATOM 2393 CB ASP B 38 23.659 -16.012 9.447 1.00 35.43 C ATOM 2394 CG ASP B 38 25.081 -15.616 8.957 1.00 23.24 C ATOM 2395 OD1 ASP B 38 25.574 -14.520 9.282 1.00 33.12 O ATOM 2396 OD2 ASP B 38 25.738 -16.417 8.289 1.00 41.21 O ATOM 0 H ASP B 38 22.551 -17.018 7.364 1.00 61.04 H new ATOM 0 HA ASP B 38 21.682 -15.136 9.420 1.00 72.33 H new ATOM 0 HB2 ASP B 38 23.574 -15.742 10.500 1.00 35.43 H new ATOM 0 HB3 ASP B 38 23.568 -17.097 9.387 1.00 35.43 H new ATOM 2401 N SER B 39 22.942 -14.114 6.611 1.00 40.01 N ATOM 2402 CA SER B 39 23.405 -12.994 5.780 1.00 64.21 C ATOM 2403 C SER B 39 22.524 -11.733 5.968 1.00 12.32 C ATOM 2404 O SER B 39 21.293 -11.816 5.823 1.00 12.10 O ATOM 2405 CB SER B 39 23.443 -13.406 4.285 1.00 0.34 C ATOM 2406 OG SER B 39 22.168 -13.802 3.806 1.00 12.34 O ATOM 0 H SER B 39 22.715 -14.951 6.074 1.00 40.01 H new ATOM 0 HA SER B 39 24.414 -12.742 6.105 1.00 64.21 H new ATOM 0 HB2 SER B 39 23.810 -12.570 3.689 1.00 0.34 H new ATOM 0 HB3 SER B 39 24.149 -14.226 4.154 1.00 0.34 H new ATOM 0 HG SER B 39 22.237 -14.052 2.861 1.00 12.34 H new ATOM 2412 N PRO B 40 23.145 -10.562 6.314 1.00 74.43 N ATOM 2413 CA PRO B 40 22.405 -9.301 6.514 1.00 62.13 C ATOM 2414 C PRO B 40 21.846 -8.763 5.180 1.00 64.15 C ATOM 2415 O PRO B 40 22.549 -8.772 4.162 1.00 44.23 O ATOM 2416 CB PRO B 40 23.476 -8.361 7.122 1.00 40.22 C ATOM 2417 CG PRO B 40 24.783 -8.881 6.614 1.00 1.23 C ATOM 2418 CD PRO B 40 24.614 -10.381 6.529 1.00 54.43 C ATOM 0 HA PRO B 40 21.529 -9.407 7.154 1.00 62.13 H new ATOM 0 HB2 PRO B 40 23.315 -7.328 6.813 1.00 40.22 H new ATOM 0 HB3 PRO B 40 23.442 -8.377 8.211 1.00 40.22 H new ATOM 0 HG2 PRO B 40 25.022 -8.457 5.639 1.00 1.23 H new ATOM 0 HG3 PRO B 40 25.599 -8.615 7.286 1.00 1.23 H new ATOM 0 HD2 PRO B 40 25.194 -10.803 5.708 1.00 54.43 H new ATOM 0 HD3 PRO B 40 24.949 -10.874 7.442 1.00 54.43 H new ATOM 2426 N ILE B 41 20.568 -8.332 5.182 1.00 71.50 N ATOM 2427 CA ILE B 41 19.866 -7.888 3.964 1.00 53.51 C ATOM 2428 C ILE B 41 19.703 -6.347 3.991 1.00 34.11 C ATOM 2429 O ILE B 41 18.802 -5.835 4.661 1.00 72.50 O ATOM 2430 CB ILE B 41 18.461 -8.608 3.809 1.00 12.35 C ATOM 2431 CG1 ILE B 41 18.629 -10.169 3.778 1.00 73.44 C ATOM 2432 CG2 ILE B 41 17.697 -8.107 2.554 1.00 10.31 C ATOM 2433 CD1 ILE B 41 19.482 -10.713 2.634 1.00 33.43 C ATOM 0 H ILE B 41 19.997 -8.283 6.026 1.00 71.50 H new ATOM 0 HA ILE B 41 20.465 -8.166 3.097 1.00 53.51 H new ATOM 0 HB ILE B 41 17.863 -8.348 4.682 1.00 12.35 H new ATOM 0 HG12 ILE B 41 19.071 -10.489 4.722 1.00 73.44 H new ATOM 0 HG13 ILE B 41 17.640 -10.623 3.719 1.00 73.44 H new ATOM 0 HG21 ILE B 41 16.739 -8.623 2.481 1.00 10.31 H new ATOM 0 HG22 ILE B 41 17.526 -7.034 2.637 1.00 10.31 H new ATOM 0 HG23 ILE B 41 18.289 -8.312 1.662 1.00 10.31 H new ATOM 0 HD11 ILE B 41 19.535 -11.799 2.704 1.00 33.43 H new ATOM 0 HD12 ILE B 41 19.034 -10.432 1.681 1.00 33.43 H new ATOM 0 HD13 ILE B 41 20.487 -10.296 2.699 1.00 33.43 H new ATOM 2445 N PRO B 42 20.607 -5.581 3.299 1.00 3.54 N ATOM 2446 CA PRO B 42 20.490 -4.113 3.199 1.00 64.41 C ATOM 2447 C PRO B 42 19.396 -3.684 2.198 1.00 32.44 C ATOM 2448 O PRO B 42 19.348 -4.184 1.070 1.00 24.15 O ATOM 2449 CB PRO B 42 21.897 -3.679 2.717 1.00 33.33 C ATOM 2450 CG PRO B 42 22.406 -4.847 1.929 1.00 1.20 C ATOM 2451 CD PRO B 42 21.825 -6.080 2.594 1.00 72.11 C ATOM 0 HA PRO B 42 20.195 -3.652 4.142 1.00 64.41 H new ATOM 0 HB2 PRO B 42 21.845 -2.780 2.103 1.00 33.33 H new ATOM 0 HB3 PRO B 42 22.552 -3.454 3.559 1.00 33.33 H new ATOM 0 HG2 PRO B 42 22.094 -4.781 0.887 1.00 1.20 H new ATOM 0 HG3 PRO B 42 23.496 -4.877 1.934 1.00 1.20 H new ATOM 0 HD2 PRO B 42 21.574 -6.846 1.861 1.00 72.11 H new ATOM 0 HD3 PRO B 42 22.533 -6.527 3.292 1.00 72.11 H new ATOM 2459 N LEU B 43 18.504 -2.784 2.631 1.00 10.25 N ATOM 2460 CA LEU B 43 17.497 -2.160 1.761 1.00 21.24 C ATOM 2461 C LEU B 43 17.995 -0.741 1.371 1.00 71.53 C ATOM 2462 O LEU B 43 17.828 0.207 2.150 1.00 64.51 O ATOM 2463 CB LEU B 43 16.100 -2.093 2.462 1.00 74.50 C ATOM 2464 CG LEU B 43 15.437 -3.456 2.896 1.00 32.14 C ATOM 2465 CD1 LEU B 43 15.442 -4.493 1.749 1.00 2.30 C ATOM 2466 CD2 LEU B 43 16.064 -4.021 4.193 1.00 43.11 C ATOM 0 H LEU B 43 18.460 -2.466 3.599 1.00 10.25 H new ATOM 0 HA LEU B 43 17.369 -2.765 0.863 1.00 21.24 H new ATOM 0 HB2 LEU B 43 16.199 -1.469 3.350 1.00 74.50 H new ATOM 0 HB3 LEU B 43 15.410 -1.583 1.790 1.00 74.50 H new ATOM 0 HG LEU B 43 14.393 -3.240 3.121 1.00 32.14 H new ATOM 0 HD11 LEU B 43 14.976 -5.417 2.092 1.00 2.30 H new ATOM 0 HD12 LEU B 43 14.884 -4.099 0.900 1.00 2.30 H new ATOM 0 HD13 LEU B 43 16.469 -4.696 1.446 1.00 2.30 H new ATOM 0 HD21 LEU B 43 15.576 -4.960 4.454 1.00 43.11 H new ATOM 0 HD22 LEU B 43 17.128 -4.196 4.036 1.00 43.11 H new ATOM 0 HD23 LEU B 43 15.930 -3.305 5.004 1.00 43.11 H new ATOM 2478 N PRO B 44 18.642 -0.578 0.164 1.00 43.33 N ATOM 2479 CA PRO B 44 19.253 0.712 -0.259 1.00 24.04 C ATOM 2480 C PRO B 44 18.218 1.756 -0.736 1.00 62.30 C ATOM 2481 O PRO B 44 18.564 2.922 -0.953 1.00 14.50 O ATOM 2482 CB PRO B 44 20.202 0.278 -1.402 1.00 25.52 C ATOM 2483 CG PRO B 44 19.516 -0.903 -2.025 1.00 2.11 C ATOM 2484 CD PRO B 44 18.830 -1.633 -0.883 1.00 73.32 C ATOM 0 HA PRO B 44 19.756 1.220 0.564 1.00 24.04 H new ATOM 0 HB2 PRO B 44 20.347 1.081 -2.125 1.00 25.52 H new ATOM 0 HB3 PRO B 44 21.187 0.010 -1.021 1.00 25.52 H new ATOM 0 HG2 PRO B 44 18.793 -0.584 -2.776 1.00 2.11 H new ATOM 0 HG3 PRO B 44 20.233 -1.551 -2.529 1.00 2.11 H new ATOM 0 HD2 PRO B 44 17.876 -2.058 -1.197 1.00 73.32 H new ATOM 0 HD3 PRO B 44 19.440 -2.457 -0.513 1.00 73.32 H new ATOM 2492 N ASN B 45 16.958 1.316 -0.902 1.00 24.44 N ATOM 2493 CA ASN B 45 15.827 2.187 -1.274 1.00 24.21 C ATOM 2494 C ASN B 45 15.463 3.123 -0.107 1.00 2.20 C ATOM 2495 O ASN B 45 15.402 4.348 -0.266 1.00 25.32 O ATOM 2496 CB ASN B 45 14.607 1.304 -1.676 1.00 10.30 C ATOM 2497 CG ASN B 45 13.306 2.095 -1.908 1.00 30.02 C ATOM 2498 OD1 ASN B 45 12.501 2.286 -0.992 1.00 20.34 O ATOM 2499 ND2 ASN B 45 13.092 2.555 -3.128 1.00 52.21 N ATOM 0 H ASN B 45 16.693 0.338 -0.781 1.00 24.44 H new ATOM 0 HA ASN B 45 16.112 2.807 -2.124 1.00 24.21 H new ATOM 0 HB2 ASN B 45 14.853 0.756 -2.585 1.00 10.30 H new ATOM 0 HB3 ASN B 45 14.435 0.564 -0.895 1.00 10.30 H new ATOM 0 HD21 ASN B 45 12.244 3.083 -3.332 1.00 52.21 H new ATOM 0 HD22 ASN B 45 13.775 2.382 -3.865 1.00 52.21 H new ATOM 2506 N VAL B 46 15.247 2.522 1.072 1.00 73.52 N ATOM 2507 CA VAL B 46 14.774 3.237 2.265 1.00 20.22 C ATOM 2508 C VAL B 46 15.978 3.763 3.081 1.00 14.32 C ATOM 2509 O VAL B 46 16.974 3.055 3.263 1.00 73.25 O ATOM 2510 CB VAL B 46 13.835 2.313 3.135 1.00 22.22 C ATOM 2511 CG1 VAL B 46 14.560 1.039 3.626 1.00 52.23 C ATOM 2512 CG2 VAL B 46 13.193 3.096 4.305 1.00 11.14 C ATOM 0 H VAL B 46 15.396 1.525 1.225 1.00 73.52 H new ATOM 0 HA VAL B 46 14.181 4.096 1.952 1.00 20.22 H new ATOM 0 HB VAL B 46 13.027 1.980 2.484 1.00 22.22 H new ATOM 0 HG11 VAL B 46 13.873 0.436 4.220 1.00 52.23 H new ATOM 0 HG12 VAL B 46 14.901 0.461 2.767 1.00 52.23 H new ATOM 0 HG13 VAL B 46 15.417 1.321 4.238 1.00 52.23 H new ATOM 0 HG21 VAL B 46 12.553 2.428 4.882 1.00 11.14 H new ATOM 0 HG22 VAL B 46 13.977 3.495 4.949 1.00 11.14 H new ATOM 0 HG23 VAL B 46 12.596 3.918 3.909 1.00 11.14 H new ATOM 2522 N THR B 47 15.881 5.020 3.543 1.00 31.32 N ATOM 2523 CA THR B 47 16.947 5.689 4.311 1.00 74.34 C ATOM 2524 C THR B 47 16.942 5.229 5.779 1.00 21.14 C ATOM 2525 O THR B 47 16.029 4.518 6.195 1.00 61.15 O ATOM 2526 CB THR B 47 16.781 7.233 4.228 1.00 43.23 C ATOM 2527 OG1 THR B 47 15.461 7.600 4.666 1.00 32.44 O ATOM 2528 CG2 THR B 47 17.032 7.754 2.801 1.00 64.35 C ATOM 0 H THR B 47 15.058 5.604 3.394 1.00 31.32 H new ATOM 0 HA THR B 47 17.906 5.413 3.873 1.00 74.34 H new ATOM 0 HB THR B 47 17.524 7.691 4.881 1.00 43.23 H new ATOM 0 HG1 THR B 47 15.358 8.573 4.615 1.00 32.44 H new ATOM 0 HG21 THR B 47 16.907 8.837 2.782 1.00 64.35 H new ATOM 0 HG22 THR B 47 18.047 7.500 2.494 1.00 64.35 H new ATOM 0 HG23 THR B 47 16.320 7.294 2.115 1.00 64.35 H new ATOM 2536 N SER B 48 17.954 5.664 6.552 1.00 41.21 N ATOM 2537 CA SER B 48 18.168 5.209 7.935 1.00 71.02 C ATOM 2538 C SER B 48 17.049 5.658 8.872 1.00 3.02 C ATOM 2539 O SER B 48 16.518 4.841 9.621 1.00 4.13 O ATOM 2540 CB SER B 48 19.537 5.694 8.447 1.00 2.24 C ATOM 2541 OG SER B 48 19.683 7.100 8.328 1.00 24.04 O ATOM 0 H SER B 48 18.646 6.342 6.233 1.00 41.21 H new ATOM 0 HA SER B 48 18.155 4.119 7.928 1.00 71.02 H new ATOM 0 HB2 SER B 48 19.657 5.405 9.491 1.00 2.24 H new ATOM 0 HB3 SER B 48 20.330 5.199 7.886 1.00 2.24 H new ATOM 0 HG SER B 48 20.564 7.367 8.665 1.00 24.04 H new ATOM 2547 N THR B 49 16.689 6.947 8.800 1.00 23.45 N ATOM 2548 CA THR B 49 15.658 7.542 9.657 1.00 23.24 C ATOM 2549 C THR B 49 14.277 6.912 9.392 1.00 63.54 C ATOM 2550 O THR B 49 13.572 6.539 10.333 1.00 25.11 O ATOM 2551 CB THR B 49 15.603 9.088 9.454 1.00 2.42 C ATOM 2552 OG1 THR B 49 16.886 9.658 9.774 1.00 40.54 O ATOM 2553 CG2 THR B 49 14.513 9.766 10.304 1.00 52.14 C ATOM 0 H THR B 49 17.107 7.607 8.144 1.00 23.45 H new ATOM 0 HA THR B 49 15.925 7.336 10.693 1.00 23.24 H new ATOM 0 HB THR B 49 15.351 9.267 8.409 1.00 2.42 H new ATOM 0 HG1 THR B 49 16.854 10.629 9.645 1.00 40.54 H new ATOM 0 HG21 THR B 49 14.524 10.840 10.120 1.00 52.14 H new ATOM 0 HG22 THR B 49 13.537 9.361 10.035 1.00 52.14 H new ATOM 0 HG23 THR B 49 14.705 9.577 11.360 1.00 52.14 H new ATOM 2561 N ILE B 50 13.919 6.763 8.101 1.00 52.24 N ATOM 2562 CA ILE B 50 12.606 6.228 7.703 1.00 24.33 C ATOM 2563 C ILE B 50 12.518 4.726 8.041 1.00 13.43 C ATOM 2564 O ILE B 50 11.522 4.288 8.612 1.00 1.40 O ATOM 2565 CB ILE B 50 12.305 6.487 6.178 1.00 1.31 C ATOM 2566 CG1 ILE B 50 12.364 8.016 5.857 1.00 74.31 C ATOM 2567 CG2 ILE B 50 10.938 5.889 5.752 1.00 20.02 C ATOM 2568 CD1 ILE B 50 11.381 8.886 6.639 1.00 40.12 C ATOM 0 H ILE B 50 14.524 7.007 7.317 1.00 52.24 H new ATOM 0 HA ILE B 50 11.842 6.758 8.271 1.00 24.33 H new ATOM 0 HB ILE B 50 13.078 5.980 5.600 1.00 1.31 H new ATOM 0 HG12 ILE B 50 13.375 8.373 6.053 1.00 74.31 H new ATOM 0 HG13 ILE B 50 12.178 8.154 4.792 1.00 74.31 H new ATOM 0 HG21 ILE B 50 10.767 6.089 4.694 1.00 20.02 H new ATOM 0 HG22 ILE B 50 10.943 4.812 5.922 1.00 20.02 H new ATOM 0 HG23 ILE B 50 10.142 6.345 6.340 1.00 20.02 H new ATOM 0 HD11 ILE B 50 11.502 9.928 6.343 1.00 40.12 H new ATOM 0 HD12 ILE B 50 10.361 8.565 6.426 1.00 40.12 H new ATOM 0 HD13 ILE B 50 11.577 8.787 7.707 1.00 40.12 H new ATOM 2580 N LEU B 51 13.595 3.964 7.733 1.00 12.22 N ATOM 2581 CA LEU B 51 13.671 2.515 8.034 1.00 55.32 C ATOM 2582 C LEU B 51 13.588 2.277 9.549 1.00 5.44 C ATOM 2583 O LEU B 51 12.903 1.355 9.991 1.00 61.21 O ATOM 2584 CB LEU B 51 14.978 1.881 7.468 1.00 13.34 C ATOM 2585 CG LEU B 51 15.160 0.339 7.687 1.00 34.13 C ATOM 2586 CD1 LEU B 51 13.989 -0.470 7.084 1.00 63.24 C ATOM 2587 CD2 LEU B 51 16.521 -0.149 7.136 1.00 30.32 C ATOM 0 H LEU B 51 14.428 4.332 7.273 1.00 12.22 H new ATOM 0 HA LEU B 51 12.823 2.033 7.548 1.00 55.32 H new ATOM 0 HB2 LEU B 51 15.018 2.080 6.397 1.00 13.34 H new ATOM 0 HB3 LEU B 51 15.828 2.392 7.919 1.00 13.34 H new ATOM 0 HG LEU B 51 15.153 0.163 8.763 1.00 34.13 H new ATOM 0 HD11 LEU B 51 14.154 -1.533 7.257 1.00 63.24 H new ATOM 0 HD12 LEU B 51 13.055 -0.166 7.557 1.00 63.24 H new ATOM 0 HD13 LEU B 51 13.931 -0.282 6.012 1.00 63.24 H new ATOM 0 HD21 LEU B 51 16.617 -1.222 7.303 1.00 30.32 H new ATOM 0 HD22 LEU B 51 16.576 0.059 6.067 1.00 30.32 H new ATOM 0 HD23 LEU B 51 17.329 0.372 7.649 1.00 30.32 H new ATOM 2599 N GLU B 52 14.268 3.150 10.325 1.00 33.25 N ATOM 2600 CA GLU B 52 14.269 3.089 11.793 1.00 45.20 C ATOM 2601 C GLU B 52 12.844 3.223 12.329 1.00 41.24 C ATOM 2602 O GLU B 52 12.404 2.398 13.120 1.00 44.31 O ATOM 2603 CB GLU B 52 15.146 4.209 12.408 1.00 15.21 C ATOM 2604 CG GLU B 52 15.198 4.171 13.950 1.00 71.12 C ATOM 2605 CD GLU B 52 16.109 5.235 14.560 1.00 73.01 C ATOM 2606 OE1 GLU B 52 15.636 6.361 14.828 1.00 33.42 O ATOM 2607 OE2 GLU B 52 17.298 4.945 14.785 1.00 53.00 O ATOM 0 H GLU B 52 14.829 3.913 9.946 1.00 33.25 H new ATOM 0 HA GLU B 52 14.685 2.123 12.078 1.00 45.20 H new ATOM 0 HB2 GLU B 52 16.159 4.123 12.016 1.00 15.21 H new ATOM 0 HB3 GLU B 52 14.761 5.178 12.089 1.00 15.21 H new ATOM 0 HG2 GLU B 52 14.189 4.301 14.342 1.00 71.12 H new ATOM 0 HG3 GLU B 52 15.540 3.186 14.269 1.00 71.12 H new ATOM 2614 N LYS B 53 12.137 4.263 11.842 1.00 75.03 N ATOM 2615 CA LYS B 53 10.784 4.606 12.299 1.00 3.43 C ATOM 2616 C LYS B 53 9.765 3.518 11.927 1.00 31.51 C ATOM 2617 O LYS B 53 8.911 3.165 12.745 1.00 3.31 O ATOM 2618 CB LYS B 53 10.341 5.977 11.717 1.00 23.15 C ATOM 2619 CG LYS B 53 11.121 7.190 12.273 1.00 75.35 C ATOM 2620 CD LYS B 53 10.558 8.549 11.784 1.00 45.23 C ATOM 2621 CE LYS B 53 9.088 8.764 12.195 1.00 11.54 C ATOM 2622 NZ LYS B 53 8.630 10.146 11.929 1.00 44.31 N ATOM 0 H LYS B 53 12.494 4.888 11.119 1.00 75.03 H new ATOM 0 HA LYS B 53 10.816 4.676 13.386 1.00 3.43 H new ATOM 0 HB2 LYS B 53 10.457 5.952 10.633 1.00 23.15 H new ATOM 0 HB3 LYS B 53 9.280 6.119 11.921 1.00 23.15 H new ATOM 0 HG2 LYS B 53 11.095 7.163 13.362 1.00 75.35 H new ATOM 0 HG3 LYS B 53 12.167 7.109 11.977 1.00 75.35 H new ATOM 0 HD2 LYS B 53 11.167 9.357 12.189 1.00 45.23 H new ATOM 0 HD3 LYS B 53 10.639 8.602 10.698 1.00 45.23 H new ATOM 0 HE2 LYS B 53 8.454 8.062 11.653 1.00 11.54 H new ATOM 0 HE3 LYS B 53 8.973 8.543 13.256 1.00 11.54 H new ATOM 0 HZ1 LYS B 53 7.598 10.198 12.043 1.00 44.31 H new ATOM 0 HZ2 LYS B 53 9.085 10.798 12.599 1.00 44.31 H new ATOM 0 HZ3 LYS B 53 8.885 10.415 10.957 1.00 44.31 H new ATOM 2636 N VAL B 54 9.863 2.996 10.695 1.00 63.32 N ATOM 2637 CA VAL B 54 8.939 1.966 10.189 1.00 12.44 C ATOM 2638 C VAL B 54 9.145 0.637 10.965 1.00 2.34 C ATOM 2639 O VAL B 54 8.166 -0.033 11.317 1.00 14.41 O ATOM 2640 CB VAL B 54 9.094 1.778 8.626 1.00 64.21 C ATOM 2641 CG1 VAL B 54 8.227 0.617 8.096 1.00 14.20 C ATOM 2642 CG2 VAL B 54 8.743 3.093 7.875 1.00 25.54 C ATOM 0 H VAL B 54 10.580 3.273 10.024 1.00 63.32 H new ATOM 0 HA VAL B 54 7.914 2.295 10.362 1.00 12.44 H new ATOM 0 HB VAL B 54 10.138 1.528 8.436 1.00 64.21 H new ATOM 0 HG11 VAL B 54 8.364 0.523 7.019 1.00 14.20 H new ATOM 0 HG12 VAL B 54 8.526 -0.312 8.582 1.00 14.20 H new ATOM 0 HG13 VAL B 54 7.178 0.818 8.312 1.00 14.20 H new ATOM 0 HG21 VAL B 54 8.857 2.940 6.802 1.00 25.54 H new ATOM 0 HG22 VAL B 54 7.713 3.374 8.095 1.00 25.54 H new ATOM 0 HG23 VAL B 54 9.413 3.888 8.201 1.00 25.54 H new ATOM 2652 N LEU B 55 10.421 0.300 11.278 1.00 71.54 N ATOM 2653 CA LEU B 55 10.762 -0.866 12.129 1.00 4.21 C ATOM 2654 C LEU B 55 10.373 -0.616 13.599 1.00 52.15 C ATOM 2655 O LEU B 55 10.044 -1.556 14.314 1.00 52.10 O ATOM 2656 CB LEU B 55 12.284 -1.217 12.049 1.00 23.15 C ATOM 2657 CG LEU B 55 12.806 -1.768 10.682 1.00 74.25 C ATOM 2658 CD1 LEU B 55 14.330 -2.037 10.743 1.00 41.44 C ATOM 2659 CD2 LEU B 55 12.020 -3.025 10.239 1.00 62.14 C ATOM 0 H LEU B 55 11.234 0.823 10.952 1.00 71.54 H new ATOM 0 HA LEU B 55 10.189 -1.710 11.745 1.00 4.21 H new ATOM 0 HB2 LEU B 55 12.853 -0.321 12.294 1.00 23.15 H new ATOM 0 HB3 LEU B 55 12.504 -1.955 12.820 1.00 23.15 H new ATOM 0 HG LEU B 55 12.634 -1.003 9.925 1.00 74.25 H new ATOM 0 HD11 LEU B 55 14.671 -2.420 9.781 1.00 41.44 H new ATOM 0 HD12 LEU B 55 14.854 -1.109 10.971 1.00 41.44 H new ATOM 0 HD13 LEU B 55 14.539 -2.772 11.520 1.00 41.44 H new ATOM 0 HD21 LEU B 55 12.410 -3.380 9.285 1.00 62.14 H new ATOM 0 HD22 LEU B 55 12.131 -3.807 10.990 1.00 62.14 H new ATOM 0 HD23 LEU B 55 10.965 -2.774 10.129 1.00 62.14 H new ATOM 2671 N ASP B 56 10.409 0.663 14.021 1.00 64.04 N ATOM 2672 CA ASP B 56 10.104 1.082 15.409 1.00 32.24 C ATOM 2673 C ASP B 56 8.595 0.938 15.676 1.00 63.14 C ATOM 2674 O ASP B 56 8.178 0.564 16.781 1.00 30.33 O ATOM 2675 CB ASP B 56 10.575 2.553 15.636 1.00 25.24 C ATOM 2676 CG ASP B 56 10.650 3.018 17.102 1.00 60.11 C ATOM 2677 OD1 ASP B 56 10.889 4.226 17.327 1.00 14.14 O ATOM 2678 OD2 ASP B 56 10.523 2.192 18.034 1.00 63.01 O ATOM 0 H ASP B 56 10.651 1.441 13.408 1.00 64.04 H new ATOM 0 HA ASP B 56 10.640 0.441 16.109 1.00 32.24 H new ATOM 0 HB2 ASP B 56 11.561 2.671 15.187 1.00 25.24 H new ATOM 0 HB3 ASP B 56 9.898 3.217 15.099 1.00 25.24 H new ATOM 2683 N TYR B 57 7.786 1.232 14.635 1.00 35.43 N ATOM 2684 CA TYR B 57 6.343 0.961 14.650 1.00 1.23 C ATOM 2685 C TYR B 57 6.102 -0.558 14.641 1.00 42.22 C ATOM 2686 O TYR B 57 5.205 -1.041 15.328 1.00 32.20 O ATOM 2687 CB TYR B 57 5.607 1.616 13.441 1.00 22.51 C ATOM 2688 CG TYR B 57 4.147 1.125 13.290 1.00 61.30 C ATOM 2689 CD1 TYR B 57 3.104 1.684 14.036 1.00 11.23 C ATOM 2690 CD2 TYR B 57 3.831 0.052 12.444 1.00 24.45 C ATOM 2691 CE1 TYR B 57 1.813 1.189 13.938 1.00 32.40 C ATOM 2692 CE2 TYR B 57 2.550 -0.430 12.346 1.00 5.32 C ATOM 2693 CZ TYR B 57 1.544 0.136 13.092 1.00 53.13 C ATOM 2694 OH TYR B 57 0.262 -0.365 12.997 1.00 11.22 O ATOM 0 H TYR B 57 8.117 1.660 13.770 1.00 35.43 H new ATOM 0 HA TYR B 57 5.936 1.402 15.560 1.00 1.23 H new ATOM 0 HB2 TYR B 57 5.610 2.699 13.563 1.00 22.51 H new ATOM 0 HB3 TYR B 57 6.156 1.397 12.525 1.00 22.51 H new ATOM 0 HD1 TYR B 57 3.308 2.513 14.698 1.00 11.23 H new ATOM 0 HD2 TYR B 57 4.613 -0.405 11.856 1.00 24.45 H new ATOM 0 HE1 TYR B 57 1.019 1.628 14.524 1.00 32.40 H new ATOM 0 HE2 TYR B 57 2.332 -1.254 11.683 1.00 5.32 H new ATOM 0 HH TYR B 57 -0.081 -0.217 12.091 1.00 11.22 H new ATOM 2704 N CYS B 58 6.864 -1.291 13.808 1.00 32.23 N ATOM 2705 CA CYS B 58 6.737 -2.755 13.708 1.00 0.11 C ATOM 2706 C CYS B 58 7.077 -3.435 15.056 1.00 55.03 C ATOM 2707 O CYS B 58 6.513 -4.472 15.376 1.00 31.15 O ATOM 2708 CB CYS B 58 7.610 -3.301 12.560 1.00 13.13 C ATOM 2709 SG CYS B 58 7.114 -2.707 10.933 1.00 25.32 S ATOM 0 H CYS B 58 7.574 -0.892 13.194 1.00 32.23 H new ATOM 0 HA CYS B 58 5.699 -2.994 13.476 1.00 0.11 H new ATOM 0 HB2 CYS B 58 8.648 -3.021 12.739 1.00 13.13 H new ATOM 0 HB3 CYS B 58 7.568 -4.390 12.569 1.00 13.13 H new ATOM 0 HG CYS B 58 7.613 -1.523 10.732 1.00 25.32 H new ATOM 2715 N ARG B 59 7.994 -2.815 15.833 1.00 72.35 N ATOM 2716 CA ARG B 59 8.306 -3.222 17.220 1.00 52.43 C ATOM 2717 C ARG B 59 7.081 -2.979 18.121 1.00 54.43 C ATOM 2718 O ARG B 59 6.663 -3.863 18.865 1.00 34.11 O ATOM 2719 CB ARG B 59 9.522 -2.423 17.765 1.00 32.11 C ATOM 2720 CG ARG B 59 10.882 -2.785 17.139 1.00 4.10 C ATOM 2721 CD ARG B 59 12.003 -1.823 17.581 1.00 4.04 C ATOM 2722 NE ARG B 59 12.099 -1.708 19.055 1.00 2.30 N ATOM 2723 CZ ARG B 59 13.189 -1.985 19.793 1.00 51.23 C ATOM 2724 NH1 ARG B 59 14.309 -2.410 19.225 1.00 53.22 N ATOM 2725 NH2 ARG B 59 13.150 -1.816 21.108 1.00 42.13 N ATOM 0 H ARG B 59 8.540 -2.015 15.513 1.00 72.35 H new ATOM 0 HA ARG B 59 8.557 -4.283 17.222 1.00 52.43 H new ATOM 0 HB2 ARG B 59 9.339 -1.360 17.605 1.00 32.11 H new ATOM 0 HB3 ARG B 59 9.584 -2.577 18.842 1.00 32.11 H new ATOM 0 HG2 ARG B 59 11.149 -3.804 17.419 1.00 4.10 H new ATOM 0 HG3 ARG B 59 10.796 -2.765 16.053 1.00 4.10 H new ATOM 0 HD2 ARG B 59 12.956 -2.173 17.184 1.00 4.04 H new ATOM 0 HD3 ARG B 59 11.822 -0.837 17.153 1.00 4.04 H new ATOM 0 HE ARG B 59 11.267 -1.392 19.553 1.00 2.30 H new ATOM 0 HH11 ARG B 59 14.353 -2.532 18.213 1.00 53.22 H new ATOM 0 HH12 ARG B 59 15.126 -2.615 19.800 1.00 53.22 H new ATOM 0 HH21 ARG B 59 12.297 -1.478 21.554 1.00 42.13 H new ATOM 0 HH22 ARG B 59 13.973 -2.024 21.674 1.00 42.13 H new ATOM 2739 N HIS B 60 6.519 -1.764 18.008 1.00 44.02 N ATOM 2740 CA HIS B 60 5.313 -1.324 18.743 1.00 13.33 C ATOM 2741 C HIS B 60 4.125 -2.289 18.527 1.00 34.15 C ATOM 2742 O HIS B 60 3.461 -2.707 19.488 1.00 23.44 O ATOM 2743 CB HIS B 60 4.966 0.127 18.288 1.00 22.12 C ATOM 2744 CG HIS B 60 3.618 0.655 18.712 1.00 14.14 C ATOM 2745 ND1 HIS B 60 3.345 1.098 19.985 1.00 43.40 N ATOM 2746 CD2 HIS B 60 2.476 0.835 18.004 1.00 3.42 C ATOM 2747 CE1 HIS B 60 2.097 1.523 20.040 1.00 10.53 C ATOM 2748 NE2 HIS B 60 1.548 1.377 18.852 1.00 55.42 N ATOM 0 H HIS B 60 6.895 -1.043 17.392 1.00 44.02 H new ATOM 0 HA HIS B 60 5.516 -1.334 19.814 1.00 13.33 H new ATOM 0 HB2 HIS B 60 5.733 0.799 18.672 1.00 22.12 H new ATOM 0 HB3 HIS B 60 5.023 0.167 17.200 1.00 22.12 H new ATOM 0 HD1 HIS B 60 4.004 1.098 20.764 1.00 43.40 H new ATOM 0 HD2 HIS B 60 2.326 0.595 16.962 1.00 3.42 H new ATOM 0 HE1 HIS B 60 1.607 1.924 20.915 1.00 10.53 H new ATOM 2757 N HIS B 61 3.897 -2.652 17.255 1.00 52.30 N ATOM 2758 CA HIS B 61 2.771 -3.504 16.837 1.00 14.33 C ATOM 2759 C HIS B 61 3.077 -4.998 17.097 1.00 70.30 C ATOM 2760 O HIS B 61 2.176 -5.841 17.054 1.00 72.52 O ATOM 2761 CB HIS B 61 2.435 -3.250 15.341 1.00 61.52 C ATOM 2762 CG HIS B 61 1.056 -3.706 14.931 1.00 22.31 C ATOM 2763 ND1 HIS B 61 0.784 -4.972 14.462 1.00 42.34 N ATOM 2764 CD2 HIS B 61 -0.135 -3.060 14.962 1.00 44.34 C ATOM 2765 CE1 HIS B 61 -0.502 -5.075 14.214 1.00 73.10 C ATOM 2766 NE2 HIS B 61 -1.087 -3.935 14.513 1.00 11.20 N ATOM 0 H HIS B 61 4.494 -2.360 16.481 1.00 52.30 H new ATOM 0 HA HIS B 61 1.898 -3.242 17.435 1.00 14.33 H new ATOM 0 HB2 HIS B 61 2.529 -2.184 15.135 1.00 61.52 H new ATOM 0 HB3 HIS B 61 3.173 -3.761 14.723 1.00 61.52 H new ATOM 0 HD2 HIS B 61 -0.302 -2.042 15.282 1.00 44.34 H new ATOM 0 HE1 HIS B 61 -0.998 -5.953 13.827 1.00 73.10 H new ATOM 0 HE2 HIS B 61 -2.084 -3.736 14.425 1.00 11.20 H new ATOM 2775 N HIS B 62 4.363 -5.313 17.332 1.00 5.55 N ATOM 2776 CA HIS B 62 4.821 -6.677 17.657 1.00 11.43 C ATOM 2777 C HIS B 62 4.557 -6.986 19.133 1.00 3.40 C ATOM 2778 O HIS B 62 4.043 -8.055 19.477 1.00 22.23 O ATOM 2779 CB HIS B 62 6.333 -6.799 17.362 1.00 15.03 C ATOM 2780 CG HIS B 62 6.901 -8.182 17.488 1.00 13.44 C ATOM 2781 ND1 HIS B 62 6.967 -9.041 16.426 1.00 15.50 N ATOM 2782 CD2 HIS B 62 7.474 -8.837 18.529 1.00 71.33 C ATOM 2783 CE1 HIS B 62 7.565 -10.145 16.802 1.00 5.11 C ATOM 2784 NE2 HIS B 62 7.877 -10.053 18.068 1.00 13.52 N ATOM 0 H HIS B 62 5.117 -4.627 17.302 1.00 5.55 H new ATOM 0 HA HIS B 62 4.271 -7.391 17.044 1.00 11.43 H new ATOM 0 HB2 HIS B 62 6.519 -6.438 16.350 1.00 15.03 H new ATOM 0 HB3 HIS B 62 6.873 -6.139 18.041 1.00 15.03 H new ATOM 0 HD1 HIS B 62 6.608 -8.853 15.490 1.00 15.50 H new ATOM 0 HD2 HIS B 62 7.589 -8.463 19.536 1.00 71.33 H new ATOM 0 HE1 HIS B 62 7.768 -10.995 16.167 1.00 5.11 H new ATOM 2793 N GLN B 63 4.935 -6.026 19.996 1.00 22.42 N ATOM 2794 CA GLN B 63 4.793 -6.148 21.457 1.00 13.41 C ATOM 2795 C GLN B 63 3.316 -6.032 21.853 1.00 23.32 C ATOM 2796 O GLN B 63 2.880 -6.606 22.856 1.00 24.01 O ATOM 2797 CB GLN B 63 5.651 -5.067 22.182 1.00 53.13 C ATOM 2798 CG GLN B 63 7.148 -5.059 21.787 1.00 64.22 C ATOM 2799 CD GLN B 63 7.880 -6.394 21.990 1.00 1.02 C ATOM 2800 OE1 GLN B 63 8.780 -6.741 21.221 1.00 64.03 O ATOM 2801 NE2 GLN B 63 7.543 -7.133 23.040 1.00 12.43 N ATOM 0 H GLN B 63 5.348 -5.142 19.699 1.00 22.42 H new ATOM 0 HA GLN B 63 5.157 -7.128 21.766 1.00 13.41 H new ATOM 0 HB2 GLN B 63 5.228 -4.085 21.971 1.00 53.13 H new ATOM 0 HB3 GLN B 63 5.574 -5.223 23.258 1.00 53.13 H new ATOM 0 HG2 GLN B 63 7.230 -4.773 20.738 1.00 64.22 H new ATOM 0 HG3 GLN B 63 7.658 -4.290 22.368 1.00 64.22 H new ATOM 0 HE21 GLN B 63 6.795 -6.825 23.662 1.00 12.43 H new ATOM 0 HE22 GLN B 63 8.032 -8.009 23.225 1.00 12.43 H new ATOM 2810 N HIS B 64 2.559 -5.262 21.054 1.00 44.40 N ATOM 2811 CA HIS B 64 1.111 -5.094 21.207 1.00 55.43 C ATOM 2812 C HIS B 64 0.460 -5.178 19.819 1.00 30.12 C ATOM 2813 O HIS B 64 0.540 -4.208 19.057 1.00 33.44 O ATOM 2814 CB HIS B 64 0.771 -3.737 21.887 1.00 14.42 C ATOM 2815 CG HIS B 64 1.234 -3.635 23.314 1.00 52.40 C ATOM 2816 ND1 HIS B 64 0.477 -4.077 24.374 1.00 32.55 N ATOM 2817 CD2 HIS B 64 2.392 -3.177 23.851 1.00 3.23 C ATOM 2818 CE1 HIS B 64 1.136 -3.890 25.493 1.00 24.55 C ATOM 2819 NE2 HIS B 64 2.302 -3.346 25.205 1.00 21.32 N ATOM 0 H HIS B 64 2.945 -4.732 20.273 1.00 44.40 H new ATOM 0 HA HIS B 64 0.723 -5.884 21.849 1.00 55.43 H new ATOM 0 HB2 HIS B 64 1.223 -2.930 21.310 1.00 14.42 H new ATOM 0 HB3 HIS B 64 -0.308 -3.586 21.854 1.00 14.42 H new ATOM 0 HD2 HIS B 64 3.228 -2.758 23.311 1.00 3.23 H new ATOM 0 HE1 HIS B 64 0.783 -4.139 26.483 1.00 24.55 H new ATOM 0 HE2 HIS B 64 3.021 -3.092 25.883 1.00 21.32 H new ATOM 2917 N ILE B 73 -6.156 4.175 18.258 1.00 71.24 N ATOM 2918 CA ILE B 73 -4.954 5.230 18.432 1.00 3.24 C ATOM 2919 C ILE B 73 -4.080 5.185 19.775 1.00 4.43 C ATOM 2920 O ILE B 73 -4.602 5.347 20.884 1.00 40.23 O ATOM 2921 CB ILE B 73 -5.511 6.758 18.433 1.00 3.44 C ATOM 2922 CG1 ILE B 73 -5.905 7.208 17.014 1.00 61.24 C ATOM 2923 CG2 ILE B 73 -4.555 7.825 19.091 1.00 62.32 C ATOM 2924 CD1 ILE B 73 -6.387 8.665 16.908 1.00 53.13 C ATOM 0 HA ILE B 73 -4.327 4.935 17.591 1.00 3.24 H new ATOM 0 HB ILE B 73 -6.392 6.720 19.074 1.00 3.44 H new ATOM 0 HG12 ILE B 73 -5.047 7.075 16.355 1.00 61.24 H new ATOM 0 HG13 ILE B 73 -6.694 6.552 16.646 1.00 61.24 H new ATOM 0 HG21 ILE B 73 -5.019 8.810 19.040 1.00 62.32 H new ATOM 0 HG22 ILE B 73 -4.378 7.561 20.134 1.00 62.32 H new ATOM 0 HG23 ILE B 73 -3.606 7.843 18.555 1.00 62.32 H new ATOM 0 HD11 ILE B 73 -6.642 8.890 15.872 1.00 53.13 H new ATOM 0 HD12 ILE B 73 -7.267 8.804 17.536 1.00 53.13 H new ATOM 0 HD13 ILE B 73 -5.595 9.336 17.240 1.00 53.13 H new ATOM 2936 N PRO B 74 -2.755 5.014 19.693 1.00 13.21 N ATOM 2937 CA PRO B 74 -1.830 5.214 20.842 1.00 62.14 C ATOM 2938 C PRO B 74 -1.221 6.653 20.872 1.00 62.10 C ATOM 2939 O PRO B 74 -1.110 7.301 19.819 1.00 4.04 O ATOM 2940 CB PRO B 74 -0.763 4.154 20.548 1.00 11.12 C ATOM 2941 CG PRO B 74 -0.686 4.112 19.049 1.00 44.23 C ATOM 2942 CD PRO B 74 -2.034 4.561 18.505 1.00 12.04 C ATOM 0 HA PRO B 74 -2.309 5.116 21.816 1.00 62.14 H new ATOM 0 HB2 PRO B 74 0.197 4.423 20.988 1.00 11.12 H new ATOM 0 HB3 PRO B 74 -1.042 3.184 20.959 1.00 11.12 H new ATOM 0 HG2 PRO B 74 0.109 4.765 18.688 1.00 44.23 H new ATOM 0 HG3 PRO B 74 -0.451 3.104 18.706 1.00 44.23 H new ATOM 0 HD2 PRO B 74 -1.924 5.362 17.774 1.00 12.04 H new ATOM 0 HD3 PRO B 74 -2.557 3.744 18.007 1.00 12.04 H new ATOM 2950 N PRO B 75 -0.813 7.182 22.076 1.00 73.54 N ATOM 2951 CA PRO B 75 -0.028 8.449 22.155 1.00 2.33 C ATOM 2952 C PRO B 75 1.377 8.295 21.513 1.00 2.53 C ATOM 2953 O PRO B 75 1.985 9.281 21.089 1.00 51.53 O ATOM 2954 CB PRO B 75 0.062 8.733 23.677 1.00 33.24 C ATOM 2955 CG PRO B 75 -0.148 7.401 24.340 1.00 32.21 C ATOM 2956 CD PRO B 75 -1.094 6.626 23.437 1.00 52.43 C ATOM 0 HA PRO B 75 -0.495 9.266 21.605 1.00 2.33 H new ATOM 0 HB2 PRO B 75 1.031 9.156 23.942 1.00 33.24 H new ATOM 0 HB3 PRO B 75 -0.696 9.452 23.989 1.00 33.24 H new ATOM 0 HG2 PRO B 75 0.797 6.872 24.460 1.00 32.21 H new ATOM 0 HG3 PRO B 75 -0.573 7.524 25.336 1.00 32.21 H new ATOM 0 HD2 PRO B 75 -0.902 5.554 23.480 1.00 52.43 H new ATOM 0 HD3 PRO B 75 -2.135 6.775 23.724 1.00 52.43 H new ATOM 2964 N TYR B 76 1.843 7.032 21.456 1.00 5.03 N ATOM 2965 CA TYR B 76 3.120 6.613 20.851 1.00 40.30 C ATOM 2966 C TYR B 76 3.214 7.053 19.370 1.00 45.21 C ATOM 2967 O TYR B 76 4.176 7.710 18.954 1.00 73.44 O ATOM 2968 CB TYR B 76 3.206 5.063 20.971 1.00 75.44 C ATOM 2969 CG TYR B 76 4.578 4.434 20.688 1.00 21.44 C ATOM 2970 CD1 TYR B 76 4.997 4.132 19.384 1.00 34.14 C ATOM 2971 CD2 TYR B 76 5.436 4.105 21.740 1.00 52.30 C ATOM 2972 CE1 TYR B 76 6.215 3.524 19.148 1.00 44.44 C ATOM 2973 CE2 TYR B 76 6.656 3.506 21.505 1.00 74.44 C ATOM 2974 CZ TYR B 76 7.041 3.213 20.212 1.00 55.25 C ATOM 2975 OH TYR B 76 8.250 2.595 19.985 1.00 21.30 O ATOM 0 H TYR B 76 1.320 6.247 21.845 1.00 5.03 H new ATOM 0 HA TYR B 76 3.952 7.087 21.372 1.00 40.30 H new ATOM 0 HB2 TYR B 76 2.901 4.780 21.979 1.00 75.44 H new ATOM 0 HB3 TYR B 76 2.481 4.626 20.284 1.00 75.44 H new ATOM 0 HD1 TYR B 76 4.357 4.379 18.550 1.00 34.14 H new ATOM 0 HD2 TYR B 76 5.139 4.323 22.755 1.00 52.30 H new ATOM 0 HE1 TYR B 76 6.520 3.293 18.138 1.00 44.44 H new ATOM 0 HE2 TYR B 76 7.309 3.267 22.331 1.00 74.44 H new ATOM 0 HH TYR B 76 8.586 2.849 19.100 1.00 21.30 H new ATOM 2985 N ASP B 77 2.186 6.669 18.593 1.00 43.35 N ATOM 2986 CA ASP B 77 2.122 6.905 17.135 1.00 44.11 C ATOM 2987 C ASP B 77 1.891 8.380 16.795 1.00 52.14 C ATOM 2988 O ASP B 77 2.151 8.795 15.670 1.00 11.03 O ATOM 2989 CB ASP B 77 1.059 5.996 16.459 1.00 22.44 C ATOM 2990 CG ASP B 77 1.427 4.493 16.448 1.00 5.05 C ATOM 2991 OD1 ASP B 77 0.844 3.750 15.637 1.00 74.21 O ATOM 2992 OD2 ASP B 77 2.267 4.047 17.281 1.00 0.43 O ATOM 0 H ASP B 77 1.368 6.182 18.960 1.00 43.35 H new ATOM 0 HA ASP B 77 3.097 6.636 16.730 1.00 44.11 H new ATOM 0 HB2 ASP B 77 0.107 6.122 16.976 1.00 22.44 H new ATOM 0 HB3 ASP B 77 0.911 6.330 15.432 1.00 22.44 H new ATOM 2997 N ARG B 78 1.332 9.153 17.742 1.00 10.22 N ATOM 2998 CA ARG B 78 1.185 10.617 17.590 1.00 23.42 C ATOM 2999 C ARG B 78 2.566 11.276 17.421 1.00 24.30 C ATOM 3000 O ARG B 78 2.741 12.167 16.580 1.00 34.54 O ATOM 3001 CB ARG B 78 0.427 11.222 18.796 1.00 42.32 C ATOM 3002 CG ARG B 78 -0.936 10.554 19.104 1.00 70.03 C ATOM 3003 CD ARG B 78 -2.032 10.805 18.043 1.00 41.13 C ATOM 3004 NE ARG B 78 -1.748 10.169 16.735 1.00 13.44 N ATOM 3005 CZ ARG B 78 -2.285 10.543 15.554 1.00 15.43 C ATOM 3006 NH1 ARG B 78 -3.158 11.547 15.485 1.00 2.11 N ATOM 3007 NH2 ARG B 78 -1.922 9.922 14.440 1.00 70.43 N ATOM 0 H ARG B 78 0.972 8.790 18.625 1.00 10.22 H new ATOM 0 HA ARG B 78 0.597 10.815 16.694 1.00 23.42 H new ATOM 0 HB2 ARG B 78 1.060 11.148 19.680 1.00 42.32 H new ATOM 0 HB3 ARG B 78 0.262 12.283 18.609 1.00 42.32 H new ATOM 0 HG2 ARG B 78 -0.784 9.479 19.203 1.00 70.03 H new ATOM 0 HG3 ARG B 78 -1.293 10.916 20.068 1.00 70.03 H new ATOM 0 HD2 ARG B 78 -2.984 10.431 18.420 1.00 41.13 H new ATOM 0 HD3 ARG B 78 -2.146 11.879 17.898 1.00 41.13 H new ATOM 0 HE ARG B 78 -1.094 9.386 16.726 1.00 13.44 H new ATOM 0 HH11 ARG B 78 -3.430 12.046 16.332 1.00 2.11 H new ATOM 0 HH12 ARG B 78 -3.554 11.817 14.585 1.00 2.11 H new ATOM 0 HH21 ARG B 78 -1.240 9.165 14.477 1.00 70.43 H new ATOM 0 HH22 ARG B 78 -2.325 10.201 13.546 1.00 70.43 H new ATOM 3021 N ASP B 79 3.548 10.792 18.211 1.00 14.30 N ATOM 3022 CA ASP B 79 4.958 11.221 18.103 1.00 42.14 C ATOM 3023 C ASP B 79 5.581 10.734 16.783 1.00 1.21 C ATOM 3024 O ASP B 79 6.389 11.442 16.175 1.00 43.41 O ATOM 3025 CB ASP B 79 5.795 10.698 19.300 1.00 62.11 C ATOM 3026 CG ASP B 79 5.424 11.366 20.626 1.00 34.25 C ATOM 3027 OD1 ASP B 79 6.278 12.060 21.227 1.00 24.20 O ATOM 3028 OD2 ASP B 79 4.272 11.215 21.067 1.00 45.21 O ATOM 0 H ASP B 79 3.386 10.096 18.939 1.00 14.30 H new ATOM 0 HA ASP B 79 4.969 12.311 18.118 1.00 42.14 H new ATOM 0 HB2 ASP B 79 5.656 9.621 19.391 1.00 62.11 H new ATOM 0 HB3 ASP B 79 6.853 10.867 19.098 1.00 62.11 H new ATOM 3033 N PHE B 80 5.200 9.514 16.364 1.00 3.44 N ATOM 3034 CA PHE B 80 5.621 8.929 15.073 1.00 74.03 C ATOM 3035 C PHE B 80 5.151 9.815 13.892 1.00 62.11 C ATOM 3036 O PHE B 80 5.900 10.039 12.930 1.00 64.23 O ATOM 3037 CB PHE B 80 5.056 7.477 14.937 1.00 32.45 C ATOM 3038 CG PHE B 80 5.367 6.802 13.601 1.00 34.23 C ATOM 3039 CD1 PHE B 80 6.517 6.040 13.438 1.00 42.51 C ATOM 3040 CD2 PHE B 80 4.523 6.966 12.492 1.00 12.01 C ATOM 3041 CE1 PHE B 80 6.812 5.472 12.219 1.00 43.43 C ATOM 3042 CE2 PHE B 80 4.826 6.392 11.281 1.00 51.45 C ATOM 3043 CZ PHE B 80 5.976 5.649 11.144 1.00 33.20 C ATOM 0 H PHE B 80 4.591 8.904 16.909 1.00 3.44 H new ATOM 0 HA PHE B 80 6.710 8.884 15.046 1.00 74.03 H new ATOM 0 HB2 PHE B 80 5.462 6.865 15.743 1.00 32.45 H new ATOM 0 HB3 PHE B 80 3.975 7.506 15.073 1.00 32.45 H new ATOM 0 HD1 PHE B 80 7.185 5.892 14.274 1.00 42.51 H new ATOM 0 HD2 PHE B 80 3.622 7.552 12.592 1.00 12.01 H new ATOM 0 HE1 PHE B 80 7.709 4.882 12.107 1.00 43.43 H new ATOM 0 HE2 PHE B 80 4.163 6.524 10.439 1.00 51.45 H new ATOM 0 HZ PHE B 80 6.221 5.205 10.191 1.00 33.20 H new ATOM 3053 N CYS B 81 3.911 10.329 14.004 1.00 4.45 N ATOM 3054 CA CYS B 81 3.240 11.104 12.940 1.00 51.01 C ATOM 3055 C CYS B 81 3.817 12.530 12.788 1.00 31.32 C ATOM 3056 O CYS B 81 3.373 13.277 11.906 1.00 25.12 O ATOM 3057 CB CYS B 81 1.718 11.159 13.217 1.00 75.43 C ATOM 3058 SG CYS B 81 0.909 9.542 13.218 1.00 71.03 S ATOM 0 H CYS B 81 3.341 10.217 14.843 1.00 4.45 H new ATOM 0 HA CYS B 81 3.424 10.593 11.995 1.00 51.01 H new ATOM 0 HB2 CYS B 81 1.552 11.637 14.183 1.00 75.43 H new ATOM 0 HB3 CYS B 81 1.245 11.789 12.464 1.00 75.43 H new ATOM 0 HG CYS B 81 1.369 8.827 14.202 1.00 71.03 H new ATOM 3064 N LYS B 82 4.797 12.905 13.646 1.00 55.04 N ATOM 3065 CA LYS B 82 5.493 14.202 13.550 1.00 11.02 C ATOM 3066 C LYS B 82 6.521 14.150 12.404 1.00 34.10 C ATOM 3067 O LYS B 82 7.702 13.834 12.599 1.00 53.03 O ATOM 3068 CB LYS B 82 6.162 14.573 14.898 1.00 23.42 C ATOM 3069 CG LYS B 82 5.201 14.567 16.101 1.00 52.20 C ATOM 3070 CD LYS B 82 3.987 15.511 15.924 1.00 22.44 C ATOM 3071 CE LYS B 82 3.035 15.462 17.130 1.00 11.22 C ATOM 3072 NZ LYS B 82 3.719 15.849 18.389 1.00 21.53 N ATOM 0 H LYS B 82 5.122 12.320 14.416 1.00 55.04 H new ATOM 0 HA LYS B 82 4.766 14.983 13.329 1.00 11.02 H new ATOM 0 HB2 LYS B 82 6.975 13.873 15.093 1.00 23.42 H new ATOM 0 HB3 LYS B 82 6.609 15.563 14.809 1.00 23.42 H new ATOM 0 HG2 LYS B 82 4.841 13.551 16.264 1.00 52.20 H new ATOM 0 HG3 LYS B 82 5.750 14.858 16.997 1.00 52.20 H new ATOM 0 HD2 LYS B 82 4.340 16.532 15.783 1.00 22.44 H new ATOM 0 HD3 LYS B 82 3.442 15.235 15.021 1.00 22.44 H new ATOM 0 HE2 LYS B 82 2.192 16.130 16.955 1.00 11.22 H new ATOM 0 HE3 LYS B 82 2.629 14.456 17.232 1.00 11.22 H new ATOM 0 HZ1 LYS B 82 3.014 15.968 19.144 1.00 21.53 H new ATOM 0 HZ2 LYS B 82 4.394 15.106 18.660 1.00 21.53 H new ATOM 0 HZ3 LYS B 82 4.228 16.744 18.246 1.00 21.53 H new ATOM 3086 N VAL B 83 6.007 14.381 11.192 1.00 64.40 N ATOM 3087 CA VAL B 83 6.768 14.351 9.933 1.00 23.23 C ATOM 3088 C VAL B 83 6.427 15.595 9.100 1.00 31.11 C ATOM 3089 O VAL B 83 5.406 16.251 9.341 1.00 12.41 O ATOM 3090 CB VAL B 83 6.428 13.052 9.096 1.00 30.11 C ATOM 3091 CG1 VAL B 83 6.979 11.777 9.765 1.00 71.03 C ATOM 3092 CG2 VAL B 83 4.904 12.921 8.858 1.00 61.51 C ATOM 0 H VAL B 83 5.021 14.601 11.053 1.00 64.40 H new ATOM 0 HA VAL B 83 7.831 14.340 10.174 1.00 23.23 H new ATOM 0 HB VAL B 83 6.920 13.160 8.130 1.00 30.11 H new ATOM 0 HG11 VAL B 83 6.724 10.908 9.158 1.00 71.03 H new ATOM 0 HG12 VAL B 83 8.063 11.852 9.854 1.00 71.03 H new ATOM 0 HG13 VAL B 83 6.541 11.668 10.757 1.00 71.03 H new ATOM 0 HG21 VAL B 83 4.702 12.019 8.280 1.00 61.51 H new ATOM 0 HG22 VAL B 83 4.390 12.860 9.817 1.00 61.51 H new ATOM 0 HG23 VAL B 83 4.545 13.791 8.309 1.00 61.51 H new ATOM 3102 N ASP B 84 7.285 15.921 8.124 1.00 1.12 N ATOM 3103 CA ASP B 84 6.978 16.952 7.110 1.00 64.12 C ATOM 3104 C ASP B 84 6.188 16.279 5.964 1.00 41.24 C ATOM 3105 O ASP B 84 6.075 15.048 5.952 1.00 34.53 O ATOM 3106 CB ASP B 84 8.290 17.620 6.600 1.00 32.33 C ATOM 3107 CG ASP B 84 8.068 19.056 6.086 1.00 60.11 C ATOM 3108 OD1 ASP B 84 7.766 19.248 4.894 1.00 63.11 O ATOM 3109 OD2 ASP B 84 8.172 20.009 6.892 1.00 13.44 O ATOM 0 H ASP B 84 8.201 15.487 8.011 1.00 1.12 H new ATOM 0 HA ASP B 84 6.370 17.747 7.542 1.00 64.12 H new ATOM 0 HB2 ASP B 84 9.021 17.637 7.408 1.00 32.33 H new ATOM 0 HB3 ASP B 84 8.714 17.014 5.799 1.00 32.33 H new ATOM 3114 N GLN B 85 5.653 17.067 5.012 1.00 33.14 N ATOM 3115 CA GLN B 85 4.806 16.531 3.917 1.00 20.23 C ATOM 3116 C GLN B 85 5.566 15.493 3.020 1.00 21.42 C ATOM 3117 O GLN B 85 5.027 14.399 2.800 1.00 1.34 O ATOM 3118 CB GLN B 85 4.177 17.675 3.064 1.00 64.40 C ATOM 3119 CG GLN B 85 3.183 17.208 1.975 1.00 24.42 C ATOM 3120 CD GLN B 85 1.986 16.422 2.540 1.00 31.14 C ATOM 3121 OE1 GLN B 85 0.954 16.996 2.879 1.00 24.21 O ATOM 3122 NE2 GLN B 85 2.125 15.104 2.649 1.00 12.11 N ATOM 0 H GLN B 85 5.789 18.077 4.975 1.00 33.14 H new ATOM 0 HA GLN B 85 3.990 15.989 4.395 1.00 20.23 H new ATOM 0 HB2 GLN B 85 3.662 18.365 3.732 1.00 64.40 H new ATOM 0 HB3 GLN B 85 4.981 18.235 2.585 1.00 64.40 H new ATOM 0 HG2 GLN B 85 2.814 18.078 1.433 1.00 24.42 H new ATOM 0 HG3 GLN B 85 3.711 16.584 1.254 1.00 24.42 H new ATOM 0 HE21 GLN B 85 2.995 14.657 2.359 1.00 12.11 H new ATOM 0 HE22 GLN B 85 1.362 14.540 3.023 1.00 12.11 H new ATOM 3131 N PRO B 86 6.818 15.783 2.495 1.00 55.32 N ATOM 3132 CA PRO B 86 7.622 14.764 1.770 1.00 1.11 C ATOM 3133 C PRO B 86 7.934 13.525 2.637 1.00 31.31 C ATOM 3134 O PRO B 86 7.828 12.390 2.165 1.00 14.52 O ATOM 3135 CB PRO B 86 8.921 15.519 1.381 1.00 3.34 C ATOM 3136 CG PRO B 86 8.534 16.962 1.386 1.00 41.50 C ATOM 3137 CD PRO B 86 7.530 17.096 2.502 1.00 22.21 C ATOM 0 HA PRO B 86 7.085 14.366 0.909 1.00 1.11 H new ATOM 0 HB2 PRO B 86 9.723 15.321 2.092 1.00 3.34 H new ATOM 0 HB3 PRO B 86 9.281 15.209 0.400 1.00 3.34 H new ATOM 0 HG2 PRO B 86 9.400 17.602 1.556 1.00 41.50 H new ATOM 0 HG3 PRO B 86 8.102 17.258 0.430 1.00 41.50 H new ATOM 0 HD2 PRO B 86 8.017 17.283 3.459 1.00 22.21 H new ATOM 0 HD3 PRO B 86 6.844 17.925 2.327 1.00 22.21 H new ATOM 3145 N THR B 87 8.278 13.778 3.917 1.00 25.03 N ATOM 3146 CA THR B 87 8.642 12.732 4.897 1.00 33.01 C ATOM 3147 C THR B 87 7.449 11.789 5.189 1.00 52.25 C ATOM 3148 O THR B 87 7.639 10.600 5.479 1.00 70.11 O ATOM 3149 CB THR B 87 9.149 13.393 6.225 1.00 32.53 C ATOM 3150 OG1 THR B 87 10.100 14.418 5.911 1.00 60.10 O ATOM 3151 CG2 THR B 87 9.800 12.378 7.190 1.00 61.44 C ATOM 0 H THR B 87 8.311 14.722 4.303 1.00 25.03 H new ATOM 0 HA THR B 87 9.443 12.131 4.466 1.00 33.01 H new ATOM 0 HB THR B 87 8.277 13.809 6.730 1.00 32.53 H new ATOM 0 HG1 THR B 87 10.418 14.834 6.739 1.00 60.10 H new ATOM 0 HG21 THR B 87 10.131 12.894 8.091 1.00 61.44 H new ATOM 0 HG22 THR B 87 9.072 11.612 7.457 1.00 61.44 H new ATOM 0 HG23 THR B 87 10.656 11.911 6.703 1.00 61.44 H new ATOM 3159 N LEU B 88 6.229 12.344 5.090 1.00 43.53 N ATOM 3160 CA LEU B 88 4.971 11.606 5.271 1.00 12.02 C ATOM 3161 C LEU B 88 4.837 10.555 4.150 1.00 32.31 C ATOM 3162 O LEU B 88 4.513 9.387 4.403 1.00 51.24 O ATOM 3163 CB LEU B 88 3.767 12.616 5.268 1.00 23.43 C ATOM 3164 CG LEU B 88 2.506 12.237 6.119 1.00 11.44 C ATOM 3165 CD1 LEU B 88 1.487 13.392 6.136 1.00 0.23 C ATOM 3166 CD2 LEU B 88 1.853 10.922 5.657 1.00 31.03 C ATOM 0 H LEU B 88 6.089 13.332 4.879 1.00 43.53 H new ATOM 0 HA LEU B 88 4.968 11.085 6.228 1.00 12.02 H new ATOM 0 HB2 LEU B 88 4.135 13.579 5.621 1.00 23.43 H new ATOM 0 HB3 LEU B 88 3.447 12.756 4.235 1.00 23.43 H new ATOM 0 HG LEU B 88 2.851 12.069 7.139 1.00 11.44 H new ATOM 0 HD11 LEU B 88 0.621 13.105 6.733 1.00 0.23 H new ATOM 0 HD12 LEU B 88 1.949 14.278 6.570 1.00 0.23 H new ATOM 0 HD13 LEU B 88 1.169 13.611 5.117 1.00 0.23 H new ATOM 0 HD21 LEU B 88 0.985 10.708 6.281 1.00 31.03 H new ATOM 0 HD22 LEU B 88 1.538 11.017 4.618 1.00 31.03 H new ATOM 0 HD23 LEU B 88 2.572 10.108 5.745 1.00 31.03 H new ATOM 3178 N PHE B 89 5.119 10.993 2.909 1.00 73.41 N ATOM 3179 CA PHE B 89 5.077 10.120 1.728 1.00 42.31 C ATOM 3180 C PHE B 89 6.208 9.081 1.758 1.00 74.14 C ATOM 3181 O PHE B 89 6.038 7.998 1.219 1.00 62.54 O ATOM 3182 CB PHE B 89 5.145 10.940 0.426 1.00 71.13 C ATOM 3183 CG PHE B 89 3.957 11.869 0.201 1.00 53.23 C ATOM 3184 CD1 PHE B 89 2.661 11.373 0.201 1.00 23.22 C ATOM 3185 CD2 PHE B 89 4.135 13.228 -0.035 1.00 5.24 C ATOM 3186 CE1 PHE B 89 1.587 12.203 -0.024 1.00 60.30 C ATOM 3187 CE2 PHE B 89 3.062 14.060 -0.261 1.00 51.44 C ATOM 3188 CZ PHE B 89 1.784 13.550 -0.256 1.00 40.25 C ATOM 0 H PHE B 89 5.381 11.957 2.701 1.00 73.41 H new ATOM 0 HA PHE B 89 4.125 9.590 1.754 1.00 42.31 H new ATOM 0 HB2 PHE B 89 6.059 11.534 0.433 1.00 71.13 H new ATOM 0 HB3 PHE B 89 5.218 10.253 -0.417 1.00 71.13 H new ATOM 0 HD1 PHE B 89 2.493 10.321 0.380 1.00 23.22 H new ATOM 0 HD2 PHE B 89 5.134 13.638 -0.041 1.00 5.24 H new ATOM 0 HE1 PHE B 89 0.585 11.799 -0.019 1.00 60.30 H new ATOM 0 HE2 PHE B 89 3.223 15.112 -0.442 1.00 51.44 H new ATOM 0 HZ PHE B 89 0.940 14.200 -0.433 1.00 40.25 H new ATOM 3198 N GLU B 90 7.359 9.429 2.377 1.00 74.54 N ATOM 3199 CA GLU B 90 8.489 8.488 2.565 1.00 1.01 C ATOM 3200 C GLU B 90 8.064 7.255 3.387 1.00 5.34 C ATOM 3201 O GLU B 90 8.545 6.145 3.145 1.00 12.12 O ATOM 3202 CB GLU B 90 9.685 9.187 3.257 1.00 63.22 C ATOM 3203 CG GLU B 90 10.338 10.313 2.439 1.00 14.40 C ATOM 3204 CD GLU B 90 10.872 9.830 1.082 1.00 10.32 C ATOM 3205 OE1 GLU B 90 11.860 9.065 1.070 1.00 52.42 O ATOM 3206 OE2 GLU B 90 10.320 10.217 0.026 1.00 60.54 O ATOM 0 H GLU B 90 7.531 10.360 2.757 1.00 74.54 H new ATOM 0 HA GLU B 90 8.797 8.155 1.574 1.00 1.01 H new ATOM 0 HB2 GLU B 90 9.346 9.598 4.208 1.00 63.22 H new ATOM 0 HB3 GLU B 90 10.443 8.437 3.486 1.00 63.22 H new ATOM 0 HG2 GLU B 90 9.609 11.107 2.276 1.00 14.40 H new ATOM 0 HG3 GLU B 90 11.157 10.745 3.014 1.00 14.40 H new ATOM 3213 N LEU B 91 7.164 7.479 4.367 1.00 63.53 N ATOM 3214 CA LEU B 91 6.577 6.404 5.191 1.00 1.12 C ATOM 3215 C LEU B 91 5.661 5.502 4.333 1.00 63.45 C ATOM 3216 O LEU B 91 5.659 4.283 4.501 1.00 53.21 O ATOM 3217 CB LEU B 91 5.781 7.009 6.379 1.00 53.22 C ATOM 3218 CG LEU B 91 6.581 7.935 7.349 1.00 44.12 C ATOM 3219 CD1 LEU B 91 5.649 8.538 8.421 1.00 52.15 C ATOM 3220 CD2 LEU B 91 7.779 7.188 7.984 1.00 63.50 C ATOM 0 H LEU B 91 6.825 8.410 4.609 1.00 63.53 H new ATOM 0 HA LEU B 91 7.387 5.793 5.589 1.00 1.12 H new ATOM 0 HB2 LEU B 91 4.944 7.579 5.975 1.00 53.22 H new ATOM 0 HB3 LEU B 91 5.358 6.189 6.960 1.00 53.22 H new ATOM 0 HG LEU B 91 6.993 8.759 6.767 1.00 44.12 H new ATOM 0 HD11 LEU B 91 6.227 9.180 9.086 1.00 52.15 H new ATOM 0 HD12 LEU B 91 4.869 9.126 7.936 1.00 52.15 H new ATOM 0 HD13 LEU B 91 5.191 7.735 8.999 1.00 52.15 H new ATOM 0 HD21 LEU B 91 8.314 7.861 8.654 1.00 63.50 H new ATOM 0 HD22 LEU B 91 7.415 6.329 8.548 1.00 63.50 H new ATOM 0 HD23 LEU B 91 8.453 6.847 7.198 1.00 63.50 H new ATOM 3232 N ILE B 92 4.899 6.133 3.411 1.00 12.34 N ATOM 3233 CA ILE B 92 4.015 5.424 2.453 1.00 24.41 C ATOM 3234 C ILE B 92 4.859 4.572 1.473 1.00 4.04 C ATOM 3235 O ILE B 92 4.534 3.412 1.204 1.00 12.43 O ATOM 3236 CB ILE B 92 3.104 6.439 1.643 1.00 34.22 C ATOM 3237 CG1 ILE B 92 2.232 7.294 2.621 1.00 72.31 C ATOM 3238 CG2 ILE B 92 2.216 5.713 0.595 1.00 25.31 C ATOM 3239 CD1 ILE B 92 1.308 8.309 1.962 1.00 4.14 C ATOM 0 H ILE B 92 4.878 7.148 3.309 1.00 12.34 H new ATOM 0 HA ILE B 92 3.361 4.769 3.028 1.00 24.41 H new ATOM 0 HB ILE B 92 3.766 7.108 1.093 1.00 34.22 H new ATOM 0 HG12 ILE B 92 1.627 6.618 3.226 1.00 72.31 H new ATOM 0 HG13 ILE B 92 2.897 7.824 3.303 1.00 72.31 H new ATOM 0 HG21 ILE B 92 1.608 6.445 0.063 1.00 25.31 H new ATOM 0 HG22 ILE B 92 2.851 5.183 -0.115 1.00 25.31 H new ATOM 0 HG23 ILE B 92 1.565 5.000 1.101 1.00 25.31 H new ATOM 0 HD11 ILE B 92 0.751 8.846 2.730 1.00 4.14 H new ATOM 0 HD12 ILE B 92 1.900 9.017 1.381 1.00 4.14 H new ATOM 0 HD13 ILE B 92 0.611 7.792 1.303 1.00 4.14 H new ATOM 3251 N LEU B 93 5.972 5.168 0.991 1.00 4.43 N ATOM 3252 CA LEU B 93 6.893 4.543 0.019 1.00 15.31 C ATOM 3253 C LEU B 93 7.599 3.328 0.644 1.00 61.13 C ATOM 3254 O LEU B 93 7.705 2.279 0.011 1.00 21.00 O ATOM 3255 CB LEU B 93 7.944 5.586 -0.482 1.00 31.03 C ATOM 3256 CG LEU B 93 7.393 6.751 -1.368 1.00 42.23 C ATOM 3257 CD1 LEU B 93 8.487 7.797 -1.677 1.00 51.50 C ATOM 3258 CD2 LEU B 93 6.752 6.210 -2.661 1.00 75.53 C ATOM 0 H LEU B 93 6.258 6.107 1.270 1.00 4.43 H new ATOM 0 HA LEU B 93 6.310 4.198 -0.835 1.00 15.31 H new ATOM 0 HB2 LEU B 93 8.437 6.021 0.388 1.00 31.03 H new ATOM 0 HB3 LEU B 93 8.709 5.056 -1.050 1.00 31.03 H new ATOM 0 HG LEU B 93 6.614 7.257 -0.797 1.00 42.23 H new ATOM 0 HD11 LEU B 93 8.067 8.591 -2.294 1.00 51.50 H new ATOM 0 HD12 LEU B 93 8.859 8.221 -0.744 1.00 51.50 H new ATOM 0 HD13 LEU B 93 9.308 7.318 -2.211 1.00 51.50 H new ATOM 0 HD21 LEU B 93 6.378 7.042 -3.257 1.00 75.53 H new ATOM 0 HD22 LEU B 93 7.498 5.660 -3.234 1.00 75.53 H new ATOM 0 HD23 LEU B 93 5.926 5.545 -2.407 1.00 75.53 H new ATOM 3270 N ALA B 94 8.048 3.491 1.906 1.00 24.02 N ATOM 3271 CA ALA B 94 8.773 2.450 2.657 1.00 73.33 C ATOM 3272 C ALA B 94 7.837 1.304 3.068 1.00 24.11 C ATOM 3273 O ALA B 94 8.237 0.145 3.050 1.00 31.10 O ATOM 3274 CB ALA B 94 9.451 3.055 3.893 1.00 14.24 C ATOM 0 H ALA B 94 7.916 4.354 2.434 1.00 24.02 H new ATOM 0 HA ALA B 94 9.540 2.038 2.001 1.00 73.33 H new ATOM 0 HB1 ALA B 94 9.982 2.273 4.436 1.00 14.24 H new ATOM 0 HB2 ALA B 94 10.158 3.824 3.581 1.00 14.24 H new ATOM 0 HB3 ALA B 94 8.696 3.499 4.542 1.00 14.24 H new ATOM 3280 N ALA B 95 6.591 1.651 3.439 1.00 51.01 N ATOM 3281 CA ALA B 95 5.574 0.665 3.854 1.00 53.24 C ATOM 3282 C ALA B 95 5.058 -0.151 2.657 1.00 63.53 C ATOM 3283 O ALA B 95 4.694 -1.310 2.813 1.00 74.14 O ATOM 3284 CB ALA B 95 4.412 1.354 4.566 1.00 72.11 C ATOM 0 H ALA B 95 6.261 2.616 3.460 1.00 51.01 H new ATOM 0 HA ALA B 95 6.052 -0.025 4.550 1.00 53.24 H new ATOM 0 HB1 ALA B 95 3.674 0.609 4.863 1.00 72.11 H new ATOM 0 HB2 ALA B 95 4.783 1.871 5.451 1.00 72.11 H new ATOM 0 HB3 ALA B 95 3.949 2.075 3.892 1.00 72.11 H new ATOM 3290 N ASN B 96 5.013 0.482 1.469 1.00 64.34 N ATOM 3291 CA ASN B 96 4.624 -0.189 0.209 1.00 52.33 C ATOM 3292 C ASN B 96 5.784 -1.073 -0.296 1.00 1.41 C ATOM 3293 O ASN B 96 5.560 -2.182 -0.783 1.00 1.15 O ATOM 3294 CB ASN B 96 4.209 0.871 -0.860 1.00 44.25 C ATOM 3295 CG ASN B 96 3.751 0.280 -2.208 1.00 14.34 C ATOM 3296 OD1 ASN B 96 3.263 -0.850 -2.288 1.00 62.45 O ATOM 3297 ND2 ASN B 96 3.858 1.060 -3.271 1.00 0.23 N ATOM 0 H ASN B 96 5.244 1.469 1.353 1.00 64.34 H new ATOM 0 HA ASN B 96 3.763 -0.832 0.393 1.00 52.33 H new ATOM 0 HB2 ASN B 96 3.402 1.481 -0.453 1.00 44.25 H new ATOM 0 HB3 ASN B 96 5.053 1.537 -1.039 1.00 44.25 H new ATOM 0 HD21 ASN B 96 3.534 0.730 -4.180 1.00 0.23 H new ATOM 0 HD22 ASN B 96 4.265 1.991 -3.182 1.00 0.23 H new ATOM 3304 N TYR B 97 7.023 -0.568 -0.133 1.00 3.22 N ATOM 3305 CA TYR B 97 8.265 -1.270 -0.533 1.00 31.15 C ATOM 3306 C TYR B 97 8.479 -2.545 0.310 1.00 71.34 C ATOM 3307 O TYR B 97 8.757 -3.619 -0.231 1.00 75.13 O ATOM 3308 CB TYR B 97 9.478 -0.301 -0.390 1.00 21.54 C ATOM 3309 CG TYR B 97 10.865 -0.929 -0.628 1.00 45.31 C ATOM 3310 CD1 TYR B 97 11.805 -1.020 0.405 1.00 33.25 C ATOM 3311 CD2 TYR B 97 11.227 -1.438 -1.880 1.00 43.20 C ATOM 3312 CE1 TYR B 97 13.045 -1.587 0.200 1.00 24.30 C ATOM 3313 CE2 TYR B 97 12.472 -2.007 -2.086 1.00 34.14 C ATOM 3314 CZ TYR B 97 13.375 -2.081 -1.042 1.00 74.10 C ATOM 3315 OH TYR B 97 14.618 -2.640 -1.248 1.00 31.21 O ATOM 0 H TYR B 97 7.194 0.347 0.284 1.00 3.22 H new ATOM 0 HA TYR B 97 8.175 -1.579 -1.574 1.00 31.15 H new ATOM 0 HB2 TYR B 97 9.347 0.522 -1.092 1.00 21.54 H new ATOM 0 HB3 TYR B 97 9.461 0.128 0.612 1.00 21.54 H new ATOM 0 HD1 TYR B 97 11.554 -0.638 1.383 1.00 33.25 H new ATOM 0 HD2 TYR B 97 10.524 -1.386 -2.698 1.00 43.20 H new ATOM 0 HE1 TYR B 97 13.755 -1.643 1.011 1.00 24.30 H new ATOM 0 HE2 TYR B 97 12.737 -2.392 -3.060 1.00 34.14 H new ATOM 0 HH TYR B 97 14.691 -2.941 -2.178 1.00 31.21 H new ATOM 3325 N LEU B 98 8.331 -2.401 1.635 1.00 72.21 N ATOM 3326 CA LEU B 98 8.548 -3.487 2.611 1.00 4.30 C ATOM 3327 C LEU B 98 7.260 -4.304 2.848 1.00 1.21 C ATOM 3328 O LEU B 98 7.297 -5.341 3.526 1.00 72.13 O ATOM 3329 CB LEU B 98 9.075 -2.886 3.943 1.00 15.43 C ATOM 3330 CG LEU B 98 10.454 -2.155 3.866 1.00 73.51 C ATOM 3331 CD1 LEU B 98 10.851 -1.547 5.232 1.00 3.54 C ATOM 3332 CD2 LEU B 98 11.549 -3.099 3.321 1.00 4.45 C ATOM 0 H LEU B 98 8.054 -1.519 2.067 1.00 72.21 H new ATOM 0 HA LEU B 98 9.291 -4.174 2.206 1.00 4.30 H new ATOM 0 HB2 LEU B 98 8.333 -2.182 4.319 1.00 15.43 H new ATOM 0 HB3 LEU B 98 9.152 -3.689 4.676 1.00 15.43 H new ATOM 0 HG LEU B 98 10.354 -1.326 3.165 1.00 73.51 H new ATOM 0 HD11 LEU B 98 11.815 -1.047 5.141 1.00 3.54 H new ATOM 0 HD12 LEU B 98 10.095 -0.825 5.542 1.00 3.54 H new ATOM 0 HD13 LEU B 98 10.923 -2.340 5.976 1.00 3.54 H new ATOM 0 HD21 LEU B 98 12.499 -2.567 3.277 1.00 4.45 H new ATOM 0 HD22 LEU B 98 11.647 -3.962 3.980 1.00 4.45 H new ATOM 0 HD23 LEU B 98 11.275 -3.435 2.321 1.00 4.45 H new ATOM 3344 N ASP B 99 6.138 -3.812 2.282 1.00 53.12 N ATOM 3345 CA ASP B 99 4.801 -4.446 2.363 1.00 0.22 C ATOM 3346 C ASP B 99 4.317 -4.536 3.828 1.00 31.22 C ATOM 3347 O ASP B 99 3.627 -5.482 4.236 1.00 22.20 O ATOM 3348 CB ASP B 99 4.789 -5.826 1.638 1.00 41.52 C ATOM 3349 CG ASP B 99 3.379 -6.366 1.314 1.00 74.24 C ATOM 3350 OD1 ASP B 99 3.236 -7.588 1.091 1.00 32.33 O ATOM 3351 OD2 ASP B 99 2.415 -5.575 1.232 1.00 24.22 O ATOM 0 H ASP B 99 6.134 -2.945 1.744 1.00 53.12 H new ATOM 0 HA ASP B 99 4.087 -3.813 1.837 1.00 0.22 H new ATOM 0 HB2 ASP B 99 5.353 -5.740 0.710 1.00 41.52 H new ATOM 0 HB3 ASP B 99 5.309 -6.554 2.261 1.00 41.52 H new ATOM 3356 N ILE B 100 4.688 -3.512 4.618 1.00 23.42 N ATOM 3357 CA ILE B 100 4.226 -3.355 6.000 1.00 24.31 C ATOM 3358 C ILE B 100 2.904 -2.578 5.974 1.00 64.15 C ATOM 3359 O ILE B 100 2.867 -1.355 6.144 1.00 55.22 O ATOM 3360 CB ILE B 100 5.302 -2.646 6.912 1.00 25.03 C ATOM 3361 CG1 ILE B 100 6.665 -3.389 6.774 1.00 41.33 C ATOM 3362 CG2 ILE B 100 4.833 -2.590 8.394 1.00 5.25 C ATOM 3363 CD1 ILE B 100 7.811 -2.844 7.603 1.00 3.22 C ATOM 0 H ILE B 100 5.318 -2.771 4.311 1.00 23.42 H new ATOM 0 HA ILE B 100 4.070 -4.339 6.443 1.00 24.31 H new ATOM 0 HB ILE B 100 5.428 -1.615 6.580 1.00 25.03 H new ATOM 0 HG12 ILE B 100 6.514 -4.434 7.043 1.00 41.33 H new ATOM 0 HG13 ILE B 100 6.961 -3.370 5.725 1.00 41.33 H new ATOM 0 HG21 ILE B 100 5.594 -2.096 8.998 1.00 5.25 H new ATOM 0 HG22 ILE B 100 3.899 -2.031 8.459 1.00 5.25 H new ATOM 0 HG23 ILE B 100 4.676 -3.603 8.765 1.00 5.25 H new ATOM 0 HD11 ILE B 100 8.705 -3.441 7.424 1.00 3.22 H new ATOM 0 HD12 ILE B 100 8.003 -1.809 7.322 1.00 3.22 H new ATOM 0 HD13 ILE B 100 7.549 -2.890 8.660 1.00 3.22 H new ATOM 3375 N LYS B 101 1.833 -3.328 5.675 1.00 63.52 N ATOM 3376 CA LYS B 101 0.454 -2.820 5.619 1.00 31.14 C ATOM 3377 C LYS B 101 -0.052 -2.258 6.975 1.00 13.32 C ATOM 3378 O LYS B 101 -0.811 -1.287 6.947 1.00 3.32 O ATOM 3379 CB LYS B 101 -0.502 -3.916 5.105 1.00 30.53 C ATOM 3380 CG LYS B 101 -0.151 -4.449 3.708 1.00 41.40 C ATOM 3381 CD LYS B 101 -1.152 -5.520 3.236 1.00 2.22 C ATOM 3382 CE LYS B 101 -0.834 -6.051 1.836 1.00 70.53 C ATOM 3383 NZ LYS B 101 -1.898 -6.959 1.356 1.00 44.01 N ATOM 0 H LYS B 101 1.902 -4.323 5.461 1.00 63.52 H new ATOM 0 HA LYS B 101 0.464 -1.983 4.921 1.00 31.14 H new ATOM 0 HB2 LYS B 101 -0.498 -4.747 5.811 1.00 30.53 H new ATOM 0 HB3 LYS B 101 -1.517 -3.518 5.086 1.00 30.53 H new ATOM 0 HG2 LYS B 101 -0.140 -3.623 2.996 1.00 41.40 H new ATOM 0 HG3 LYS B 101 0.854 -4.872 3.722 1.00 41.40 H new ATOM 0 HD2 LYS B 101 -1.151 -6.349 3.943 1.00 2.22 H new ATOM 0 HD3 LYS B 101 -2.157 -5.099 3.240 1.00 2.22 H new ATOM 0 HE2 LYS B 101 -0.724 -5.216 1.144 1.00 70.53 H new ATOM 0 HE3 LYS B 101 0.119 -6.579 1.852 1.00 70.53 H new ATOM 0 HZ1 LYS B 101 -1.618 -7.370 0.443 1.00 44.01 H new ATOM 0 HZ2 LYS B 101 -2.043 -7.721 2.049 1.00 44.01 H new ATOM 0 HZ3 LYS B 101 -2.783 -6.425 1.238 1.00 44.01 H new ATOM 3397 N PRO B 102 0.306 -2.863 8.182 1.00 3.40 N ATOM 3398 CA PRO B 102 0.040 -2.217 9.496 1.00 15.25 C ATOM 3399 C PRO B 102 0.452 -0.728 9.535 1.00 74.12 C ATOM 3400 O PRO B 102 -0.294 0.114 10.036 1.00 43.20 O ATOM 3401 CB PRO B 102 0.883 -3.068 10.478 1.00 14.21 C ATOM 3402 CG PRO B 102 0.870 -4.441 9.886 1.00 44.02 C ATOM 3403 CD PRO B 102 0.883 -4.236 8.382 1.00 21.14 C ATOM 0 HA PRO B 102 -1.023 -2.195 9.736 1.00 15.25 H new ATOM 0 HB2 PRO B 102 1.899 -2.683 10.566 1.00 14.21 H new ATOM 0 HB3 PRO B 102 0.452 -3.063 11.479 1.00 14.21 H new ATOM 0 HG2 PRO B 102 1.737 -5.016 10.211 1.00 44.02 H new ATOM 0 HG3 PRO B 102 -0.015 -4.995 10.199 1.00 44.02 H new ATOM 0 HD2 PRO B 102 1.894 -4.303 7.981 1.00 21.14 H new ATOM 0 HD3 PRO B 102 0.288 -4.994 7.873 1.00 21.14 H new ATOM 3411 N LEU B 103 1.636 -0.412 8.969 1.00 55.50 N ATOM 3412 CA LEU B 103 2.166 0.963 8.948 1.00 54.43 C ATOM 3413 C LEU B 103 1.486 1.771 7.833 1.00 64.12 C ATOM 3414 O LEU B 103 1.088 2.919 8.055 1.00 21.14 O ATOM 3415 CB LEU B 103 3.723 0.959 8.789 1.00 2.01 C ATOM 3416 CG LEU B 103 4.481 2.320 9.051 1.00 12.23 C ATOM 3417 CD1 LEU B 103 4.592 3.212 7.791 1.00 2.33 C ATOM 3418 CD2 LEU B 103 3.820 3.091 10.215 1.00 13.23 C ATOM 0 H LEU B 103 2.244 -1.096 8.519 1.00 55.50 H new ATOM 0 HA LEU B 103 1.941 1.442 9.901 1.00 54.43 H new ATOM 0 HB2 LEU B 103 4.130 0.210 9.469 1.00 2.01 H new ATOM 0 HB3 LEU B 103 3.958 0.631 7.776 1.00 2.01 H new ATOM 0 HG LEU B 103 5.502 2.059 9.328 1.00 12.23 H new ATOM 0 HD11 LEU B 103 5.123 4.130 8.041 1.00 2.33 H new ATOM 0 HD12 LEU B 103 5.138 2.677 7.014 1.00 2.33 H new ATOM 0 HD13 LEU B 103 3.593 3.457 7.430 1.00 2.33 H new ATOM 0 HD21 LEU B 103 4.355 4.026 10.382 1.00 13.23 H new ATOM 0 HD22 LEU B 103 2.781 3.307 9.965 1.00 13.23 H new ATOM 0 HD23 LEU B 103 3.857 2.485 11.120 1.00 13.23 H new ATOM 3430 N LEU B 104 1.350 1.140 6.651 1.00 33.54 N ATOM 3431 CA LEU B 104 0.780 1.762 5.440 1.00 0.35 C ATOM 3432 C LEU B 104 -0.621 2.329 5.714 1.00 1.44 C ATOM 3433 O LEU B 104 -0.911 3.467 5.346 1.00 73.13 O ATOM 3434 CB LEU B 104 0.720 0.720 4.290 1.00 2.41 C ATOM 3435 CG LEU B 104 0.164 1.218 2.917 1.00 21.53 C ATOM 3436 CD1 LEU B 104 1.036 2.347 2.319 1.00 63.13 C ATOM 3437 CD2 LEU B 104 0.002 0.038 1.932 1.00 10.24 C ATOM 0 H LEU B 104 1.637 0.172 6.508 1.00 33.54 H new ATOM 0 HA LEU B 104 1.426 2.589 5.145 1.00 0.35 H new ATOM 0 HB2 LEU B 104 1.726 0.333 4.129 1.00 2.41 H new ATOM 0 HB3 LEU B 104 0.106 -0.117 4.622 1.00 2.41 H new ATOM 0 HG LEU B 104 -0.823 1.645 3.093 1.00 21.53 H new ATOM 0 HD11 LEU B 104 0.615 2.665 1.365 1.00 63.13 H new ATOM 0 HD12 LEU B 104 1.057 3.193 3.006 1.00 63.13 H new ATOM 0 HD13 LEU B 104 2.050 1.980 2.164 1.00 63.13 H new ATOM 0 HD21 LEU B 104 -0.386 0.407 0.983 1.00 10.24 H new ATOM 0 HD22 LEU B 104 0.970 -0.435 1.769 1.00 10.24 H new ATOM 0 HD23 LEU B 104 -0.692 -0.691 2.349 1.00 10.24 H new ATOM 3449 N ASP B 105 -1.448 1.530 6.414 1.00 1.14 N ATOM 3450 CA ASP B 105 -2.855 1.853 6.687 1.00 42.24 C ATOM 3451 C ASP B 105 -2.967 3.009 7.695 1.00 23.43 C ATOM 3452 O ASP B 105 -3.779 3.913 7.503 1.00 41.22 O ATOM 3453 CB ASP B 105 -3.617 0.603 7.201 1.00 20.42 C ATOM 3454 CG ASP B 105 -5.139 0.831 7.264 1.00 34.53 C ATOM 3455 OD1 ASP B 105 -5.787 0.846 6.190 1.00 35.33 O ATOM 3456 OD2 ASP B 105 -5.696 1.029 8.372 1.00 41.23 O ATOM 0 H ASP B 105 -1.153 0.636 6.807 1.00 1.14 H new ATOM 0 HA ASP B 105 -3.315 2.173 5.752 1.00 42.24 H new ATOM 0 HB2 ASP B 105 -3.405 -0.243 6.547 1.00 20.42 H new ATOM 0 HB3 ASP B 105 -3.250 0.339 8.193 1.00 20.42 H new ATOM 3461 N VAL B 106 -2.134 2.973 8.760 1.00 23.15 N ATOM 3462 CA VAL B 106 -2.066 4.057 9.773 1.00 73.31 C ATOM 3463 C VAL B 106 -1.647 5.390 9.115 1.00 35.02 C ATOM 3464 O VAL B 106 -2.230 6.444 9.396 1.00 34.54 O ATOM 3465 CB VAL B 106 -1.076 3.687 10.953 1.00 3.53 C ATOM 3466 CG1 VAL B 106 -0.854 4.874 11.935 1.00 74.51 C ATOM 3467 CG2 VAL B 106 -1.582 2.436 11.713 1.00 72.11 C ATOM 0 H VAL B 106 -1.494 2.200 8.943 1.00 23.15 H new ATOM 0 HA VAL B 106 -3.063 4.175 10.199 1.00 73.31 H new ATOM 0 HB VAL B 106 -0.109 3.462 10.503 1.00 3.53 H new ATOM 0 HG11 VAL B 106 -0.168 4.569 12.725 1.00 74.51 H new ATOM 0 HG12 VAL B 106 -0.431 5.720 11.393 1.00 74.51 H new ATOM 0 HG13 VAL B 106 -1.808 5.165 12.375 1.00 74.51 H new ATOM 0 HG21 VAL B 106 -0.890 2.196 12.520 1.00 72.11 H new ATOM 0 HG22 VAL B 106 -2.569 2.638 12.129 1.00 72.11 H new ATOM 0 HG23 VAL B 106 -1.644 1.593 11.025 1.00 72.11 H new ATOM 3477 N THR B 107 -0.659 5.312 8.206 1.00 75.14 N ATOM 3478 CA THR B 107 -0.136 6.476 7.468 1.00 4.40 C ATOM 3479 C THR B 107 -1.168 6.978 6.414 1.00 4.35 C ATOM 3480 O THR B 107 -1.252 8.185 6.126 1.00 64.12 O ATOM 3481 CB THR B 107 1.234 6.111 6.795 1.00 14.33 C ATOM 3482 OG1 THR B 107 2.121 5.539 7.775 1.00 1.03 O ATOM 3483 CG2 THR B 107 1.931 7.328 6.174 1.00 34.33 C ATOM 0 H THR B 107 -0.198 4.435 7.961 1.00 75.14 H new ATOM 0 HA THR B 107 0.032 7.291 8.172 1.00 4.40 H new ATOM 0 HB THR B 107 1.011 5.400 5.999 1.00 14.33 H new ATOM 0 HG1 THR B 107 1.845 4.619 7.969 1.00 1.03 H new ATOM 0 HG21 THR B 107 2.873 7.017 5.723 1.00 34.33 H new ATOM 0 HG22 THR B 107 1.289 7.764 5.409 1.00 34.33 H new ATOM 0 HG23 THR B 107 2.127 8.070 6.948 1.00 34.33 H new ATOM 3491 N CYS B 108 -1.978 6.037 5.881 1.00 65.30 N ATOM 3492 CA CYS B 108 -3.096 6.350 4.968 1.00 23.33 C ATOM 3493 C CYS B 108 -4.235 7.057 5.731 1.00 21.22 C ATOM 3494 O CYS B 108 -4.932 7.896 5.167 1.00 14.51 O ATOM 3495 CB CYS B 108 -3.624 5.071 4.273 1.00 44.13 C ATOM 3496 SG CYS B 108 -2.464 4.332 3.097 1.00 25.45 S ATOM 0 H CYS B 108 -1.874 5.040 6.072 1.00 65.30 H new ATOM 0 HA CYS B 108 -2.721 7.023 4.197 1.00 23.33 H new ATOM 0 HB2 CYS B 108 -3.871 4.332 5.036 1.00 44.13 H new ATOM 0 HB3 CYS B 108 -4.550 5.311 3.750 1.00 44.13 H new ATOM 0 HG CYS B 108 -1.468 3.804 3.744 1.00 25.45 H new ATOM 3502 N LYS B 109 -4.414 6.708 7.021 1.00 13.13 N ATOM 3503 CA LYS B 109 -5.375 7.394 7.908 1.00 41.24 C ATOM 3504 C LYS B 109 -4.855 8.794 8.279 1.00 3.41 C ATOM 3505 O LYS B 109 -5.650 9.713 8.442 1.00 3.21 O ATOM 3506 CB LYS B 109 -5.688 6.553 9.196 1.00 44.15 C ATOM 3507 CG LYS B 109 -6.950 5.655 9.105 1.00 3.22 C ATOM 3508 CD LYS B 109 -6.856 4.551 8.025 1.00 4.04 C ATOM 3509 CE LYS B 109 -8.116 3.669 7.969 1.00 34.35 C ATOM 3510 NZ LYS B 109 -7.978 2.555 6.989 1.00 54.44 N ATOM 0 H LYS B 109 -3.902 5.951 7.474 1.00 13.13 H new ATOM 0 HA LYS B 109 -6.312 7.501 7.361 1.00 41.24 H new ATOM 0 HB2 LYS B 109 -4.827 5.922 9.417 1.00 44.15 H new ATOM 0 HB3 LYS B 109 -5.807 7.236 10.037 1.00 44.15 H new ATOM 0 HG2 LYS B 109 -7.122 5.188 10.075 1.00 3.22 H new ATOM 0 HG3 LYS B 109 -7.816 6.282 8.895 1.00 3.22 H new ATOM 0 HD2 LYS B 109 -6.697 5.013 7.051 1.00 4.04 H new ATOM 0 HD3 LYS B 109 -5.987 3.924 8.226 1.00 4.04 H new ATOM 0 HE2 LYS B 109 -8.314 3.258 8.959 1.00 34.35 H new ATOM 0 HE3 LYS B 109 -8.976 4.283 7.701 1.00 34.35 H new ATOM 0 HZ1 LYS B 109 -8.651 2.694 6.209 1.00 54.44 H new ATOM 0 HZ2 LYS B 109 -7.009 2.542 6.612 1.00 54.44 H new ATOM 0 HZ3 LYS B 109 -8.178 1.650 7.461 1.00 54.44 H new ATOM 3524 N THR B 110 -3.519 8.944 8.388 1.00 32.24 N ATOM 3525 CA THR B 110 -2.880 10.227 8.737 1.00 12.23 C ATOM 3526 C THR B 110 -3.212 11.311 7.683 1.00 23.24 C ATOM 3527 O THR B 110 -3.610 12.429 8.037 1.00 75.34 O ATOM 3528 CB THR B 110 -1.326 10.061 8.890 1.00 52.22 C ATOM 3529 OG1 THR B 110 -1.043 9.063 9.888 1.00 75.35 O ATOM 3530 CG2 THR B 110 -0.621 11.377 9.284 1.00 21.13 C ATOM 0 H THR B 110 -2.857 8.183 8.237 1.00 32.24 H new ATOM 0 HA THR B 110 -3.281 10.549 9.698 1.00 12.23 H new ATOM 0 HB THR B 110 -0.941 9.758 7.916 1.00 52.22 H new ATOM 0 HG1 THR B 110 -1.427 8.205 9.611 1.00 75.35 H new ATOM 0 HG21 THR B 110 0.451 11.202 9.376 1.00 21.13 H new ATOM 0 HG22 THR B 110 -0.802 12.130 8.517 1.00 21.13 H new ATOM 0 HG23 THR B 110 -1.014 11.729 10.238 1.00 21.13 H new ATOM 3538 N VAL B 111 -3.084 10.945 6.390 1.00 20.51 N ATOM 3539 CA VAL B 111 -3.418 11.850 5.272 1.00 23.14 C ATOM 3540 C VAL B 111 -4.945 12.019 5.121 1.00 43.33 C ATOM 3541 O VAL B 111 -5.420 13.127 4.830 1.00 12.14 O ATOM 3542 CB VAL B 111 -2.776 11.382 3.907 1.00 0.22 C ATOM 3543 CG1 VAL B 111 -1.236 11.477 3.959 1.00 11.25 C ATOM 3544 CG2 VAL B 111 -3.225 9.956 3.508 1.00 51.13 C ATOM 0 H VAL B 111 -2.751 10.027 6.095 1.00 20.51 H new ATOM 0 HA VAL B 111 -2.986 12.819 5.520 1.00 23.14 H new ATOM 0 HB VAL B 111 -3.139 12.061 3.136 1.00 0.22 H new ATOM 0 HG11 VAL B 111 -0.819 11.149 3.007 1.00 11.25 H new ATOM 0 HG12 VAL B 111 -0.941 12.509 4.148 1.00 11.25 H new ATOM 0 HG13 VAL B 111 -0.859 10.840 4.759 1.00 11.25 H new ATOM 0 HG21 VAL B 111 -2.758 9.678 2.563 1.00 51.13 H new ATOM 0 HG22 VAL B 111 -2.925 9.250 4.282 1.00 51.13 H new ATOM 0 HG23 VAL B 111 -4.309 9.934 3.397 1.00 51.13 H new ATOM 3554 N ALA B 112 -5.700 10.923 5.365 1.00 32.04 N ATOM 3555 CA ALA B 112 -7.169 10.897 5.216 1.00 5.52 C ATOM 3556 C ALA B 112 -7.853 11.869 6.191 1.00 71.11 C ATOM 3557 O ALA B 112 -8.752 12.613 5.802 1.00 43.24 O ATOM 3558 CB ALA B 112 -7.709 9.472 5.400 1.00 65.31 C ATOM 0 H ALA B 112 -5.306 10.033 5.671 1.00 32.04 H new ATOM 0 HA ALA B 112 -7.403 11.227 4.204 1.00 5.52 H new ATOM 0 HB1 ALA B 112 -8.793 9.476 5.286 1.00 65.31 H new ATOM 0 HB2 ALA B 112 -7.268 8.816 4.650 1.00 65.31 H new ATOM 0 HB3 ALA B 112 -7.450 9.110 6.395 1.00 65.31 H new ATOM 3564 N ASN B 113 -7.379 11.872 7.449 1.00 30.04 N ATOM 3565 CA ASN B 113 -7.928 12.721 8.529 1.00 24.23 C ATOM 3566 C ASN B 113 -7.774 14.219 8.209 1.00 33.14 C ATOM 3567 O ASN B 113 -8.666 15.020 8.509 1.00 11.22 O ATOM 3568 CB ASN B 113 -7.247 12.381 9.887 1.00 64.45 C ATOM 3569 CG ASN B 113 -7.638 10.997 10.432 1.00 75.24 C ATOM 3570 OD1 ASN B 113 -8.761 10.526 10.229 1.00 45.22 O ATOM 3571 ND2 ASN B 113 -6.715 10.330 11.115 1.00 42.21 N ATOM 0 H ASN B 113 -6.601 11.285 7.750 1.00 30.04 H new ATOM 0 HA ASN B 113 -8.994 12.509 8.606 1.00 24.23 H new ATOM 0 HB2 ASN B 113 -6.165 12.423 9.764 1.00 64.45 H new ATOM 0 HB3 ASN B 113 -7.514 13.142 10.620 1.00 64.45 H new ATOM 0 HD21 ASN B 113 -6.926 9.404 11.487 1.00 42.21 H new ATOM 0 HD22 ASN B 113 -5.795 10.744 11.268 1.00 42.21 H new ATOM 3578 N MET B 114 -6.652 14.574 7.561 1.00 4.10 N ATOM 3579 CA MET B 114 -6.312 15.976 7.250 1.00 1.20 C ATOM 3580 C MET B 114 -7.112 16.509 6.043 1.00 21.34 C ATOM 3581 O MET B 114 -7.293 17.723 5.906 1.00 64.40 O ATOM 3582 CB MET B 114 -4.785 16.118 7.007 1.00 74.12 C ATOM 3583 CG MET B 114 -3.918 15.697 8.206 1.00 60.11 C ATOM 3584 SD MET B 114 -2.152 15.998 7.960 1.00 63.24 S ATOM 3585 CE MET B 114 -1.801 15.074 6.462 1.00 70.40 C ATOM 0 H MET B 114 -5.956 13.901 7.238 1.00 4.10 H new ATOM 0 HA MET B 114 -6.590 16.583 8.112 1.00 1.20 H new ATOM 0 HB2 MET B 114 -4.508 15.515 6.142 1.00 74.12 H new ATOM 0 HB3 MET B 114 -4.562 17.155 6.757 1.00 74.12 H new ATOM 0 HG2 MET B 114 -4.251 16.237 9.092 1.00 60.11 H new ATOM 0 HG3 MET B 114 -4.074 14.636 8.402 1.00 60.11 H new ATOM 0 HE1 MET B 114 -0.807 15.334 6.099 1.00 70.40 H new ATOM 0 HE2 MET B 114 -1.842 14.006 6.675 1.00 70.40 H new ATOM 0 HE3 MET B 114 -2.541 15.321 5.701 1.00 70.40 H new ATOM 3595 N ILE B 115 -7.588 15.598 5.169 1.00 30.25 N ATOM 3596 CA ILE B 115 -8.362 15.972 3.960 1.00 42.31 C ATOM 3597 C ILE B 115 -9.885 15.834 4.179 1.00 72.20 C ATOM 3598 O ILE B 115 -10.659 16.098 3.254 1.00 21.01 O ATOM 3599 CB ILE B 115 -7.917 15.148 2.689 1.00 33.14 C ATOM 3600 CG1 ILE B 115 -8.206 13.627 2.879 1.00 40.42 C ATOM 3601 CG2 ILE B 115 -6.424 15.403 2.370 1.00 25.34 C ATOM 3602 CD1 ILE B 115 -7.900 12.744 1.682 1.00 71.05 C ATOM 0 H ILE B 115 -7.451 14.593 5.276 1.00 30.25 H new ATOM 0 HA ILE B 115 -8.140 17.023 3.775 1.00 42.31 H new ATOM 0 HB ILE B 115 -8.505 15.489 1.837 1.00 33.14 H new ATOM 0 HG12 ILE B 115 -7.625 13.269 3.729 1.00 40.42 H new ATOM 0 HG13 ILE B 115 -9.258 13.505 3.138 1.00 40.42 H new ATOM 0 HG21 ILE B 115 -6.136 14.826 1.491 1.00 25.34 H new ATOM 0 HG22 ILE B 115 -6.270 16.464 2.174 1.00 25.34 H new ATOM 0 HG23 ILE B 115 -5.813 15.098 3.220 1.00 25.34 H new ATOM 0 HD11 ILE B 115 -8.138 11.708 1.924 1.00 71.05 H new ATOM 0 HD12 ILE B 115 -8.500 13.065 0.830 1.00 71.05 H new ATOM 0 HD13 ILE B 115 -6.842 12.825 1.431 1.00 71.05 H new ATOM 3614 N ARG B 116 -10.307 15.387 5.386 1.00 55.31 N ATOM 3615 CA ARG B 116 -11.740 15.314 5.755 1.00 72.35 C ATOM 3616 C ARG B 116 -12.358 16.730 5.804 1.00 14.32 C ATOM 3617 O ARG B 116 -12.228 17.447 6.808 1.00 54.24 O ATOM 3618 CB ARG B 116 -11.942 14.589 7.119 1.00 44.24 C ATOM 3619 CG ARG B 116 -11.582 13.090 7.111 1.00 61.52 C ATOM 3620 CD ARG B 116 -11.761 12.418 8.484 1.00 2.02 C ATOM 3621 NE ARG B 116 -13.170 12.420 8.932 1.00 52.44 N ATOM 3622 CZ ARG B 116 -13.586 12.578 10.200 1.00 63.24 C ATOM 3623 NH1 ARG B 116 -12.716 12.760 11.198 1.00 2.45 N ATOM 3624 NH2 ARG B 116 -14.882 12.547 10.474 1.00 15.54 N ATOM 0 H ARG B 116 -9.674 15.071 6.121 1.00 55.31 H new ATOM 0 HA ARG B 116 -12.250 14.731 4.988 1.00 72.35 H new ATOM 0 HB2 ARG B 116 -11.337 15.090 7.874 1.00 44.24 H new ATOM 0 HB3 ARG B 116 -12.984 14.697 7.422 1.00 44.24 H new ATOM 0 HG2 ARG B 116 -12.205 12.577 6.378 1.00 61.52 H new ATOM 0 HG3 ARG B 116 -10.548 12.973 6.788 1.00 61.52 H new ATOM 0 HD2 ARG B 116 -11.400 11.391 8.433 1.00 2.02 H new ATOM 0 HD3 ARG B 116 -11.147 12.935 9.222 1.00 2.02 H new ATOM 0 HE ARG B 116 -13.887 12.290 8.218 1.00 52.44 H new ATOM 0 HH11 ARG B 116 -11.715 12.781 11.004 1.00 2.45 H new ATOM 0 HH12 ARG B 116 -13.053 12.878 12.153 1.00 2.45 H new ATOM 0 HH21 ARG B 116 -15.559 12.404 9.724 1.00 15.54 H new ATOM 0 HH22 ARG B 116 -15.203 12.666 11.435 1.00 15.54 H new