USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 956 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: A 98 THR OG1 : rot 180:sc= 0.792 USER MOD Set 1.2: A 101 SER OG : rot -83:sc= 0.293 USER MOD Set 2.1: A 11 MET CE :methyl -166:sc= -0.251 (180deg=-0.774) USER MOD Set 2.2: A 85 GLN :FLIP amide:sc= -0.358 F(o=-3,f=-0.61) USER MOD Set 3.1: A 81 SER OG : rot 85:sc= 1.29 USER MOD Set 3.2: A 82 ASN :FLIP amide:sc= 1.05 F(o=-0.26,f=2.3) USER MOD Set 4.1: A 68 TYR OH : rot -126:sc= 0.299 USER MOD Set 4.2: A 71 ASN : amide:sc= 0.278 X(o=0.58,f=0.39) USER MOD Set 5.1: A 54 SER OG : rot -56:sc= 1.22 USER MOD Set 5.2: A 63 HIS : no HD1:sc= 1 K(o=2.2,f=-5.5!) USER MOD Set 6.1: A 36 GLN : amide:sc= -4.55! C(o=-4.8!,f=-5.7!) USER MOD Set 6.2: A 57 SER OG : rot -76:sc= -0.268 USER MOD Set 7.1: A 35 LYS NZ :NH3+ -139:sc= 0.3 (180deg=0) USER MOD Set 7.2: A 107 ASN : amide:sc= -0.396 K(o=-0.096,f=-0.95) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.027) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 6 HIS : no HE2:sc= -0.672 K(o=-0.67,f=-2.8!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0.964 (180deg=0.908) USER MOD Single : A 17 GLN : amide:sc= 0.741 K(o=0.74,f=-0.22) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.311 K(o=0.31,f=-4.5!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0.621 (180deg=-0.0287) USER MOD Single : A 44 SER OG : rot 77:sc= 0.54 USER MOD Single : A 45 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-3.3!) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= 1.27 (180deg=0.712) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -86:sc= 0.0721 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0284 F(o=-1.9!,f=-0.028) USER MOD Single : A 67 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.2!) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.49) USER MOD Single : A 90 HIS : no HE2:sc= 0.552 K(o=0.55,f=-2.1!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.234 USER MOD Single : A 92 THR OG1 : rot -74:sc= 0.925 USER MOD Single : A 93 THR OG1 : rot -99:sc= 1.29 USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= -0.0209 (180deg=-0.229) USER MOD Single : A 95 GLN : amide:sc= -0.456 X(o=-0.46,f=-0.19) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc=-0.00707 (180deg=-0.135) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -170:sc= 1.27 (180deg=1.19) USER MOD Single : A 113 LYS NZ :NH3+ -167:sc=-0.00707 (180deg=-0.214) USER MOD Single : A 114 LYS NZ :NH3+ -134:sc= -0.299 (180deg=-2.05!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.316 5.578 -32.640 1.00 34.43 N ATOM 2 CA MET A 1 1.550 4.782 -31.641 1.00 23.54 C ATOM 3 C MET A 1 1.669 3.276 -31.923 1.00 70.14 C ATOM 4 O MET A 1 1.562 2.841 -33.069 1.00 40.24 O ATOM 5 CB MET A 1 0.069 5.190 -31.659 1.00 24.22 C ATOM 6 CG MET A 1 -0.777 4.473 -30.613 1.00 3.45 C ATOM 7 SD MET A 1 -2.535 4.860 -30.747 1.00 75.32 S ATOM 8 CE MET A 1 -3.195 3.941 -29.353 1.00 32.52 C ATOM 0 H1 MET A 1 2.218 6.591 -32.426 1.00 34.43 H new ATOM 0 H2 MET A 1 3.320 5.311 -32.600 1.00 34.43 H new ATOM 0 H3 MET A 1 1.945 5.388 -33.593 1.00 34.43 H new ATOM 0 HA MET A 1 1.973 4.986 -30.657 1.00 23.54 H new ATOM 0 HB2 MET A 1 -0.004 6.266 -31.498 1.00 24.22 H new ATOM 0 HB3 MET A 1 -0.343 4.987 -32.648 1.00 24.22 H new ATOM 0 HG2 MET A 1 -0.638 3.397 -30.716 1.00 3.45 H new ATOM 0 HG3 MET A 1 -0.425 4.746 -29.618 1.00 3.45 H new ATOM 0 HE1 MET A 1 -4.275 4.081 -29.303 1.00 32.52 H new ATOM 0 HE2 MET A 1 -2.972 2.881 -29.477 1.00 32.52 H new ATOM 0 HE3 MET A 1 -2.739 4.302 -28.431 1.00 32.52 H new ATOM 20 N GLY A 2 1.876 2.484 -30.875 1.00 4.14 N ATOM 21 CA GLY A 2 1.966 1.035 -31.026 1.00 51.51 C ATOM 22 C GLY A 2 1.228 0.286 -29.920 1.00 14.53 C ATOM 23 O GLY A 2 1.499 0.494 -28.739 1.00 54.13 O ATOM 0 H GLY A 2 1.984 2.818 -29.917 1.00 4.14 H new ATOM 0 HA2 GLY A 2 1.554 0.747 -31.993 1.00 51.51 H new ATOM 0 HA3 GLY A 2 3.015 0.737 -31.025 1.00 51.51 H new ATOM 27 N HIS A 3 0.294 -0.589 -30.304 1.00 41.41 N ATOM 28 CA HIS A 3 -0.503 -1.356 -29.333 1.00 32.03 C ATOM 29 C HIS A 3 0.375 -2.319 -28.514 1.00 41.32 C ATOM 30 O HIS A 3 -0.020 -2.774 -27.438 1.00 74.41 O ATOM 31 CB HIS A 3 -1.613 -2.134 -30.055 1.00 40.24 C ATOM 32 CG HIS A 3 -2.486 -2.949 -29.141 1.00 32.13 C ATOM 33 ND1 HIS A 3 -2.586 -4.322 -29.222 1.00 13.10 N ATOM 34 CD2 HIS A 3 -3.308 -2.578 -28.124 1.00 73.02 C ATOM 35 CE1 HIS A 3 -3.423 -4.758 -28.304 1.00 2.41 C ATOM 36 NE2 HIS A 3 -3.872 -3.727 -27.627 1.00 75.34 N ATOM 0 H HIS A 3 0.069 -0.786 -31.279 1.00 41.41 H new ATOM 0 HA HIS A 3 -0.955 -0.647 -28.639 1.00 32.03 H new ATOM 0 HB2 HIS A 3 -2.238 -1.429 -30.604 1.00 40.24 H new ATOM 0 HB3 HIS A 3 -1.158 -2.797 -30.791 1.00 40.24 H new ATOM 0 HD2 HIS A 3 -3.484 -1.572 -27.774 1.00 73.02 H new ATOM 0 HE1 HIS A 3 -3.694 -5.790 -28.136 1.00 2.41 H new ATOM 0 HE2 HIS A 3 -4.535 -3.772 -26.854 1.00 75.34 H new ATOM 45 N HIS A 4 1.551 -2.646 -29.040 1.00 15.54 N ATOM 46 CA HIS A 4 2.528 -3.469 -28.324 1.00 64.13 C ATOM 47 C HIS A 4 3.848 -2.707 -28.144 1.00 15.30 C ATOM 48 O HIS A 4 4.635 -2.583 -29.083 1.00 24.44 O ATOM 49 CB HIS A 4 2.790 -4.782 -29.074 1.00 42.12 C ATOM 50 CG HIS A 4 1.584 -5.659 -29.207 1.00 41.21 C ATOM 51 ND1 HIS A 4 1.143 -6.159 -30.412 1.00 53.01 N ATOM 52 CD2 HIS A 4 0.737 -6.150 -28.270 1.00 1.54 C ATOM 53 CE1 HIS A 4 0.081 -6.913 -30.215 1.00 65.11 C ATOM 54 NE2 HIS A 4 -0.187 -6.926 -28.927 1.00 33.12 N ATOM 0 H HIS A 4 1.855 -2.352 -29.968 1.00 15.54 H new ATOM 0 HA HIS A 4 2.113 -3.700 -27.343 1.00 64.13 H new ATOM 0 HB2 HIS A 4 3.169 -4.550 -30.069 1.00 42.12 H new ATOM 0 HB3 HIS A 4 3.573 -5.335 -28.555 1.00 42.12 H new ATOM 0 HD2 HIS A 4 0.780 -5.966 -27.207 1.00 1.54 H new ATOM 0 HE1 HIS A 4 -0.475 -7.433 -30.981 1.00 65.11 H new ATOM 0 HE2 HIS A 4 -0.957 -7.431 -28.487 1.00 33.12 H new ATOM 63 N HIS A 5 4.086 -2.195 -26.939 1.00 20.22 N ATOM 64 CA HIS A 5 5.319 -1.459 -26.648 1.00 41.21 C ATOM 65 C HIS A 5 6.478 -2.435 -26.399 1.00 5.04 C ATOM 66 O HIS A 5 6.936 -2.607 -25.267 1.00 53.45 O ATOM 67 CB HIS A 5 5.121 -0.533 -25.439 1.00 4.22 C ATOM 68 CG HIS A 5 3.998 0.449 -25.612 1.00 5.02 C ATOM 69 ND1 HIS A 5 2.685 0.156 -25.306 1.00 1.44 N ATOM 70 CD2 HIS A 5 3.994 1.721 -26.073 1.00 62.31 C ATOM 71 CE1 HIS A 5 1.928 1.202 -25.571 1.00 31.11 C ATOM 72 NE2 HIS A 5 2.696 2.164 -26.036 1.00 64.50 N ATOM 0 H HIS A 5 3.445 -2.274 -26.149 1.00 20.22 H new ATOM 0 HA HIS A 5 5.567 -0.843 -27.512 1.00 41.21 H new ATOM 0 HB2 HIS A 5 4.929 -1.140 -24.554 1.00 4.22 H new ATOM 0 HB3 HIS A 5 6.046 0.014 -25.255 1.00 4.22 H new ATOM 0 HD2 HIS A 5 4.853 2.283 -26.408 1.00 62.31 H new ATOM 0 HE1 HIS A 5 0.859 1.260 -25.430 1.00 31.11 H new ATOM 0 HE2 HIS A 5 2.378 3.090 -26.323 1.00 64.50 H new ATOM 81 N HIS A 6 6.940 -3.077 -27.472 1.00 1.44 N ATOM 82 CA HIS A 6 7.972 -4.117 -27.368 1.00 70.34 C ATOM 83 C HIS A 6 9.333 -3.538 -26.941 1.00 70.52 C ATOM 84 O HIS A 6 10.171 -3.184 -27.768 1.00 42.15 O ATOM 85 CB HIS A 6 8.093 -4.914 -28.684 1.00 4.05 C ATOM 86 CG HIS A 6 8.264 -4.075 -29.917 1.00 65.10 C ATOM 87 ND1 HIS A 6 9.471 -3.526 -30.295 1.00 72.34 N ATOM 88 CD2 HIS A 6 7.374 -3.699 -30.870 1.00 24.31 C ATOM 89 CE1 HIS A 6 9.320 -2.855 -31.417 1.00 43.43 C ATOM 90 NE2 HIS A 6 8.060 -2.945 -31.788 1.00 24.31 N ATOM 0 H HIS A 6 6.619 -2.898 -28.423 1.00 1.44 H new ATOM 0 HA HIS A 6 7.657 -4.806 -26.584 1.00 70.34 H new ATOM 0 HB2 HIS A 6 8.942 -5.593 -28.604 1.00 4.05 H new ATOM 0 HB3 HIS A 6 7.202 -5.530 -28.802 1.00 4.05 H new ATOM 0 HD1 HIS A 6 10.348 -3.625 -29.783 1.00 72.34 H new ATOM 0 HD2 HIS A 6 6.323 -3.947 -30.900 1.00 24.31 H new ATOM 0 HE1 HIS A 6 10.097 -2.321 -31.944 1.00 43.43 H new ATOM 99 N HIS A 7 9.512 -3.403 -25.630 1.00 65.10 N ATOM 100 CA HIS A 7 10.773 -2.939 -25.042 1.00 54.21 C ATOM 101 C HIS A 7 11.127 -3.777 -23.806 1.00 42.31 C ATOM 102 O HIS A 7 10.296 -4.525 -23.290 1.00 23.51 O ATOM 103 CB HIS A 7 10.668 -1.458 -24.635 1.00 30.24 C ATOM 104 CG HIS A 7 10.526 -0.506 -25.785 1.00 25.41 C ATOM 105 ND1 HIS A 7 11.591 0.184 -26.319 1.00 24.32 N ATOM 106 CD2 HIS A 7 9.438 -0.105 -26.490 1.00 62.14 C ATOM 107 CE1 HIS A 7 11.173 0.961 -27.294 1.00 73.01 C ATOM 108 NE2 HIS A 7 9.872 0.808 -27.418 1.00 24.04 N ATOM 0 H HIS A 7 8.789 -3.611 -24.942 1.00 65.10 H new ATOM 0 HA HIS A 7 11.555 -3.051 -25.793 1.00 54.21 H new ATOM 0 HB2 HIS A 7 9.812 -1.336 -23.971 1.00 30.24 H new ATOM 0 HB3 HIS A 7 11.556 -1.188 -24.063 1.00 30.24 H new ATOM 0 HD2 HIS A 7 8.422 -0.441 -26.348 1.00 62.14 H new ATOM 0 HE1 HIS A 7 11.792 1.614 -27.891 1.00 73.01 H new ATOM 0 HE2 HIS A 7 9.281 1.290 -28.095 1.00 24.04 H new ATOM 117 N HIS A 8 12.356 -3.640 -23.323 1.00 22.50 N ATOM 118 CA HIS A 8 12.775 -4.309 -22.088 1.00 43.41 C ATOM 119 C HIS A 8 12.458 -3.436 -20.861 1.00 44.30 C ATOM 120 O HIS A 8 13.287 -3.270 -19.966 1.00 55.31 O ATOM 121 CB HIS A 8 14.272 -4.635 -22.146 1.00 64.43 C ATOM 122 CG HIS A 8 14.617 -5.639 -23.202 1.00 52.02 C ATOM 123 ND1 HIS A 8 14.686 -6.994 -22.960 1.00 70.24 N ATOM 124 CD2 HIS A 8 14.912 -5.482 -24.516 1.00 61.35 C ATOM 125 CE1 HIS A 8 15.008 -7.624 -24.069 1.00 73.15 C ATOM 126 NE2 HIS A 8 15.150 -6.732 -25.028 1.00 40.10 N ATOM 0 H HIS A 8 13.082 -3.074 -23.763 1.00 22.50 H new ATOM 0 HA HIS A 8 12.218 -5.241 -21.993 1.00 43.41 H new ATOM 0 HB2 HIS A 8 14.830 -3.717 -22.330 1.00 64.43 H new ATOM 0 HB3 HIS A 8 14.593 -5.014 -21.175 1.00 64.43 H new ATOM 0 HD2 HIS A 8 14.952 -4.548 -25.058 1.00 61.35 H new ATOM 0 HE1 HIS A 8 15.134 -8.691 -24.175 1.00 73.15 H new ATOM 0 HE2 HIS A 8 15.397 -6.938 -25.996 1.00 40.10 H new ATOM 135 N SER A 9 11.246 -2.882 -20.837 1.00 74.44 N ATOM 136 CA SER A 9 10.798 -2.032 -19.727 1.00 44.13 C ATOM 137 C SER A 9 10.765 -2.813 -18.410 1.00 11.43 C ATOM 138 O SER A 9 9.904 -3.670 -18.203 1.00 4.23 O ATOM 139 CB SER A 9 9.408 -1.453 -20.022 1.00 32.31 C ATOM 140 OG SER A 9 9.416 -0.660 -21.201 1.00 44.34 O ATOM 0 H SER A 9 10.553 -3.005 -21.575 1.00 74.44 H new ATOM 0 HA SER A 9 11.512 -1.215 -19.626 1.00 44.13 H new ATOM 0 HB2 SER A 9 8.690 -2.265 -20.133 1.00 32.31 H new ATOM 0 HB3 SER A 9 9.077 -0.849 -19.177 1.00 32.31 H new ATOM 0 HG SER A 9 8.517 -0.307 -21.364 1.00 44.34 H new ATOM 146 N HIS A 10 11.705 -2.511 -17.523 1.00 20.24 N ATOM 147 CA HIS A 10 11.832 -3.222 -16.248 1.00 74.05 C ATOM 148 C HIS A 10 10.896 -2.631 -15.178 1.00 64.14 C ATOM 149 O HIS A 10 10.649 -3.248 -14.139 1.00 74.24 O ATOM 150 CB HIS A 10 13.296 -3.165 -15.782 1.00 2.14 C ATOM 151 CG HIS A 10 13.631 -4.120 -14.677 1.00 54.40 C ATOM 152 ND1 HIS A 10 14.129 -5.384 -14.905 1.00 73.42 N ATOM 153 CD2 HIS A 10 13.553 -3.990 -13.329 1.00 24.10 C ATOM 154 CE1 HIS A 10 14.344 -5.987 -13.753 1.00 50.05 C ATOM 155 NE2 HIS A 10 14.003 -5.164 -12.784 1.00 74.52 N ATOM 0 H HIS A 10 12.397 -1.774 -17.661 1.00 20.24 H new ATOM 0 HA HIS A 10 11.537 -4.261 -16.395 1.00 74.05 H new ATOM 0 HB2 HIS A 10 13.944 -3.372 -16.634 1.00 2.14 H new ATOM 0 HB3 HIS A 10 13.520 -2.151 -15.450 1.00 2.14 H new ATOM 0 HD2 HIS A 10 13.202 -3.124 -12.787 1.00 24.10 H new ATOM 0 HE1 HIS A 10 14.734 -6.986 -13.626 1.00 50.05 H new ATOM 0 HE2 HIS A 10 14.064 -5.368 -11.786 1.00 74.52 H new ATOM 164 N MET A 11 10.378 -1.432 -15.437 1.00 2.24 N ATOM 165 CA MET A 11 9.476 -0.759 -14.496 1.00 4.33 C ATOM 166 C MET A 11 8.374 0.033 -15.223 1.00 60.11 C ATOM 167 O MET A 11 8.659 0.865 -16.083 1.00 15.41 O ATOM 168 CB MET A 11 10.276 0.186 -13.588 1.00 64.31 C ATOM 169 CG MET A 11 9.439 0.889 -12.523 1.00 22.13 C ATOM 170 SD MET A 11 10.408 2.038 -11.522 1.00 23.41 S ATOM 171 CE MET A 11 11.669 0.944 -10.869 1.00 45.04 C ATOM 0 H MET A 11 10.565 -0.904 -16.289 1.00 2.24 H new ATOM 0 HA MET A 11 8.993 -1.530 -13.896 1.00 4.33 H new ATOM 0 HB2 MET A 11 11.065 -0.383 -13.097 1.00 64.31 H new ATOM 0 HB3 MET A 11 10.764 0.939 -14.207 1.00 64.31 H new ATOM 0 HG2 MET A 11 8.625 1.431 -13.005 1.00 22.13 H new ATOM 0 HG3 MET A 11 8.984 0.142 -11.873 1.00 22.13 H new ATOM 0 HE1 MET A 11 12.189 1.437 -10.048 1.00 45.04 H new ATOM 0 HE2 MET A 11 11.203 0.028 -10.505 1.00 45.04 H new ATOM 0 HE3 MET A 11 12.383 0.701 -11.656 1.00 45.04 H new ATOM 181 N LYS A 12 7.118 -0.246 -14.875 1.00 35.42 N ATOM 182 CA LYS A 12 5.979 0.553 -15.348 1.00 72.25 C ATOM 183 C LYS A 12 5.755 1.768 -14.427 1.00 61.23 C ATOM 184 O LYS A 12 6.027 1.700 -13.228 1.00 71.35 O ATOM 185 CB LYS A 12 4.698 -0.305 -15.385 1.00 75.54 C ATOM 186 CG LYS A 12 4.535 -1.163 -16.639 1.00 3.24 C ATOM 187 CD LYS A 12 4.367 -0.302 -17.891 1.00 30.41 C ATOM 188 CE LYS A 12 3.828 -1.104 -19.074 1.00 22.14 C ATOM 189 NZ LYS A 12 2.432 -1.572 -18.839 1.00 74.23 N ATOM 0 H LYS A 12 6.859 -1.021 -14.265 1.00 35.42 H new ATOM 0 HA LYS A 12 6.205 0.903 -16.355 1.00 72.25 H new ATOM 0 HB2 LYS A 12 4.690 -0.958 -14.512 1.00 75.54 H new ATOM 0 HB3 LYS A 12 3.834 0.354 -15.298 1.00 75.54 H new ATOM 0 HG2 LYS A 12 5.406 -1.809 -16.755 1.00 3.24 H new ATOM 0 HG3 LYS A 12 3.668 -1.814 -16.525 1.00 3.24 H new ATOM 0 HD2 LYS A 12 3.689 0.523 -17.674 1.00 30.41 H new ATOM 0 HD3 LYS A 12 5.328 0.137 -18.159 1.00 30.41 H new ATOM 0 HE2 LYS A 12 3.858 -0.489 -19.973 1.00 22.14 H new ATOM 0 HE3 LYS A 12 4.474 -1.964 -19.254 1.00 22.14 H new ATOM 0 HZ1 LYS A 12 2.055 -1.993 -19.712 1.00 74.23 H new ATOM 0 HZ2 LYS A 12 2.428 -2.284 -18.081 1.00 74.23 H new ATOM 0 HZ3 LYS A 12 1.838 -0.765 -18.559 1.00 74.23 H new ATOM 203 N PRO A 13 5.262 2.899 -14.968 1.00 31.43 N ATOM 204 CA PRO A 13 4.935 4.083 -14.151 1.00 54.54 C ATOM 205 C PRO A 13 3.794 3.810 -13.148 1.00 54.15 C ATOM 206 O PRO A 13 3.052 2.833 -13.289 1.00 43.51 O ATOM 207 CB PRO A 13 4.514 5.135 -15.191 1.00 24.32 C ATOM 208 CG PRO A 13 4.118 4.348 -16.396 1.00 12.44 C ATOM 209 CD PRO A 13 5.005 3.132 -16.402 1.00 1.32 C ATOM 0 HA PRO A 13 5.777 4.397 -13.534 1.00 54.54 H new ATOM 0 HB2 PRO A 13 3.685 5.742 -14.826 1.00 24.32 H new ATOM 0 HB3 PRO A 13 5.334 5.817 -15.417 1.00 24.32 H new ATOM 0 HG2 PRO A 13 3.067 4.065 -16.350 1.00 12.44 H new ATOM 0 HG3 PRO A 13 4.251 4.933 -17.306 1.00 12.44 H new ATOM 0 HD2 PRO A 13 4.514 2.277 -16.868 1.00 1.32 H new ATOM 0 HD3 PRO A 13 5.928 3.309 -16.954 1.00 1.32 H new ATOM 217 N LEU A 14 3.656 4.678 -12.144 1.00 72.43 N ATOM 218 CA LEU A 14 2.632 4.515 -11.097 1.00 53.05 C ATOM 219 C LEU A 14 1.225 4.305 -11.688 1.00 73.41 C ATOM 220 O LEU A 14 0.484 3.429 -11.245 1.00 1.04 O ATOM 221 CB LEU A 14 2.633 5.736 -10.163 1.00 71.55 C ATOM 222 CG LEU A 14 1.697 5.641 -8.943 1.00 52.14 C ATOM 223 CD1 LEU A 14 2.088 4.464 -8.050 1.00 44.10 C ATOM 224 CD2 LEU A 14 1.708 6.948 -8.152 1.00 50.11 C ATOM 0 H LEU A 14 4.241 5.506 -12.029 1.00 72.43 H new ATOM 0 HA LEU A 14 2.886 3.619 -10.530 1.00 53.05 H new ATOM 0 HB2 LEU A 14 3.650 5.897 -9.806 1.00 71.55 H new ATOM 0 HB3 LEU A 14 2.356 6.616 -10.744 1.00 71.55 H new ATOM 0 HG LEU A 14 0.683 5.470 -9.304 1.00 52.14 H new ATOM 0 HD11 LEU A 14 1.414 4.416 -7.195 1.00 44.10 H new ATOM 0 HD12 LEU A 14 2.019 3.537 -8.619 1.00 44.10 H new ATOM 0 HD13 LEU A 14 3.111 4.598 -7.698 1.00 44.10 H new ATOM 0 HD21 LEU A 14 1.041 6.860 -7.295 1.00 50.11 H new ATOM 0 HD22 LEU A 14 2.720 7.154 -7.804 1.00 50.11 H new ATOM 0 HD23 LEU A 14 1.371 7.763 -8.792 1.00 50.11 H new ATOM 236 N ALA A 15 0.878 5.096 -12.703 1.00 51.31 N ATOM 237 CA ALA A 15 -0.445 5.013 -13.347 1.00 4.02 C ATOM 238 C ALA A 15 -0.689 3.652 -14.034 1.00 54.34 C ATOM 239 O ALA A 15 -1.825 3.310 -14.370 1.00 53.04 O ATOM 240 CB ALA A 15 -0.605 6.149 -14.354 1.00 42.21 C ATOM 0 H ALA A 15 1.492 5.805 -13.102 1.00 51.31 H new ATOM 0 HA ALA A 15 -1.193 5.108 -12.560 1.00 4.02 H new ATOM 0 HB1 ALA A 15 -1.585 6.081 -14.826 1.00 42.21 H new ATOM 0 HB2 ALA A 15 -0.515 7.106 -13.840 1.00 42.21 H new ATOM 0 HB3 ALA A 15 0.171 6.072 -15.116 1.00 42.21 H new ATOM 246 N GLU A 16 0.379 2.886 -14.249 1.00 13.21 N ATOM 247 CA GLU A 16 0.276 1.554 -14.864 1.00 71.13 C ATOM 248 C GLU A 16 0.228 0.433 -13.814 1.00 12.03 C ATOM 249 O GLU A 16 -0.229 -0.675 -14.105 1.00 34.24 O ATOM 250 CB GLU A 16 1.451 1.318 -15.825 1.00 41.42 C ATOM 251 CG GLU A 16 1.275 1.975 -17.189 1.00 43.34 C ATOM 252 CD GLU A 16 0.137 1.352 -17.984 1.00 60.13 C ATOM 253 OE1 GLU A 16 0.311 0.223 -18.488 1.00 25.53 O ATOM 254 OE2 GLU A 16 -0.941 1.976 -18.090 1.00 12.12 O ATOM 0 H GLU A 16 1.331 3.162 -14.007 1.00 13.21 H new ATOM 0 HA GLU A 16 -0.662 1.528 -15.419 1.00 71.13 H new ATOM 0 HB2 GLU A 16 2.365 1.696 -15.366 1.00 41.42 H new ATOM 0 HB3 GLU A 16 1.584 0.245 -15.964 1.00 41.42 H new ATOM 0 HG2 GLU A 16 1.083 3.040 -17.056 1.00 43.34 H new ATOM 0 HG3 GLU A 16 2.202 1.887 -17.755 1.00 43.34 H new ATOM 261 N GLN A 17 0.690 0.729 -12.604 1.00 30.03 N ATOM 262 CA GLN A 17 0.743 -0.268 -11.527 1.00 24.24 C ATOM 263 C GLN A 17 -0.656 -0.815 -11.191 1.00 41.33 C ATOM 264 O GLN A 17 -1.533 -0.076 -10.750 1.00 70.22 O ATOM 265 CB GLN A 17 1.385 0.352 -10.279 1.00 44.11 C ATOM 266 CG GLN A 17 2.827 0.808 -10.489 1.00 75.44 C ATOM 267 CD GLN A 17 3.778 -0.342 -10.788 1.00 15.32 C ATOM 268 OE1 GLN A 17 3.580 -1.463 -10.336 1.00 62.03 O ATOM 269 NE2 GLN A 17 4.818 -0.076 -11.552 1.00 61.02 N ATOM 0 H GLN A 17 1.035 1.651 -12.339 1.00 30.03 H new ATOM 0 HA GLN A 17 1.349 -1.106 -11.871 1.00 24.24 H new ATOM 0 HB2 GLN A 17 0.787 1.206 -9.960 1.00 44.11 H new ATOM 0 HB3 GLN A 17 1.359 -0.376 -9.468 1.00 44.11 H new ATOM 0 HG2 GLN A 17 2.860 1.522 -11.312 1.00 75.44 H new ATOM 0 HG3 GLN A 17 3.170 1.333 -9.597 1.00 75.44 H new ATOM 0 HE21 GLN A 17 4.957 0.867 -11.914 1.00 61.02 H new ATOM 0 HE22 GLN A 17 5.484 -0.814 -11.781 1.00 61.02 H new ATOM 278 N ASP A 18 -0.854 -2.116 -11.397 1.00 1.40 N ATOM 279 CA ASP A 18 -2.170 -2.740 -11.206 1.00 74.13 C ATOM 280 C ASP A 18 -2.647 -2.709 -9.742 1.00 15.34 C ATOM 281 O ASP A 18 -3.851 -2.720 -9.479 1.00 51.32 O ATOM 282 CB ASP A 18 -2.160 -4.167 -11.756 1.00 52.24 C ATOM 283 CG ASP A 18 -2.053 -4.177 -13.271 1.00 23.13 C ATOM 284 OD1 ASP A 18 -2.950 -3.612 -13.933 1.00 13.31 O ATOM 285 OD2 ASP A 18 -1.071 -4.727 -13.806 1.00 53.10 O ATOM 0 H ASP A 18 -0.123 -2.761 -11.696 1.00 1.40 H new ATOM 0 HA ASP A 18 -2.891 -2.146 -11.767 1.00 74.13 H new ATOM 0 HB2 ASP A 18 -1.323 -4.718 -11.327 1.00 52.24 H new ATOM 0 HB3 ASP A 18 -3.071 -4.682 -11.451 1.00 52.24 H new ATOM 290 N TRP A 19 -1.712 -2.666 -8.793 1.00 74.41 N ATOM 291 CA TRP A 19 -2.073 -2.487 -7.379 1.00 20.03 C ATOM 292 C TRP A 19 -2.496 -1.032 -7.095 1.00 23.10 C ATOM 293 O TRP A 19 -3.157 -0.751 -6.097 1.00 4.01 O ATOM 294 CB TRP A 19 -0.925 -2.924 -6.448 1.00 14.55 C ATOM 295 CG TRP A 19 0.443 -2.464 -6.877 1.00 12.20 C ATOM 296 CD1 TRP A 19 1.355 -3.187 -7.591 1.00 1.15 C ATOM 297 CD2 TRP A 19 1.059 -1.194 -6.611 1.00 5.21 C ATOM 298 NE1 TRP A 19 2.494 -2.449 -7.784 1.00 15.41 N ATOM 299 CE2 TRP A 19 2.338 -1.225 -7.193 1.00 60.54 C ATOM 300 CE3 TRP A 19 0.654 -0.037 -5.941 1.00 14.31 C ATOM 301 CZ2 TRP A 19 3.217 -0.146 -7.125 1.00 64.12 C ATOM 302 CZ3 TRP A 19 1.526 1.035 -5.873 1.00 53.01 C ATOM 303 CH2 TRP A 19 2.794 0.974 -6.462 1.00 53.05 C ATOM 0 H TRP A 19 -0.711 -2.751 -8.969 1.00 74.41 H new ATOM 0 HA TRP A 19 -2.928 -3.130 -7.172 1.00 20.03 H new ATOM 0 HB2 TRP A 19 -1.123 -2.544 -5.446 1.00 14.55 H new ATOM 0 HB3 TRP A 19 -0.923 -4.012 -6.382 1.00 14.55 H new ATOM 0 HD1 TRP A 19 1.201 -4.194 -7.951 1.00 1.15 H new ATOM 0 HE1 TRP A 19 3.324 -2.762 -8.287 1.00 15.41 H new ATOM 0 HE3 TRP A 19 -0.323 0.020 -5.484 1.00 14.31 H new ATOM 0 HZ2 TRP A 19 4.196 -0.192 -7.579 1.00 64.12 H new ATOM 0 HZ3 TRP A 19 1.223 1.934 -5.357 1.00 53.01 H new ATOM 0 HH2 TRP A 19 3.452 1.828 -6.392 1.00 53.05 H new ATOM 314 N TYR A 20 -2.118 -0.117 -7.984 1.00 14.40 N ATOM 315 CA TYR A 20 -2.544 1.284 -7.899 1.00 2.15 C ATOM 316 C TYR A 20 -3.870 1.496 -8.655 1.00 74.14 C ATOM 317 O TYR A 20 -3.932 1.367 -9.874 1.00 74.14 O ATOM 318 CB TYR A 20 -1.447 2.200 -8.467 1.00 13.42 C ATOM 319 CG TYR A 20 -1.837 3.663 -8.562 1.00 12.50 C ATOM 320 CD1 TYR A 20 -1.914 4.463 -7.426 1.00 45.33 C ATOM 321 CD2 TYR A 20 -2.131 4.248 -9.791 1.00 13.21 C ATOM 322 CE1 TYR A 20 -2.268 5.796 -7.514 1.00 43.32 C ATOM 323 CE2 TYR A 20 -2.484 5.579 -9.884 1.00 3.32 C ATOM 324 CZ TYR A 20 -2.552 6.349 -8.744 1.00 13.55 C ATOM 325 OH TYR A 20 -2.908 7.679 -8.837 1.00 23.14 O ATOM 0 H TYR A 20 -1.512 -0.320 -8.779 1.00 14.40 H new ATOM 0 HA TYR A 20 -2.708 1.537 -6.852 1.00 2.15 H new ATOM 0 HB2 TYR A 20 -0.559 2.114 -7.841 1.00 13.42 H new ATOM 0 HB3 TYR A 20 -1.173 1.845 -9.460 1.00 13.42 H new ATOM 0 HD1 TYR A 20 -1.693 4.035 -6.459 1.00 45.33 H new ATOM 0 HD2 TYR A 20 -2.082 3.649 -10.688 1.00 13.21 H new ATOM 0 HE1 TYR A 20 -2.322 6.402 -6.622 1.00 43.32 H new ATOM 0 HE2 TYR A 20 -2.706 6.015 -10.847 1.00 3.32 H new ATOM 0 HH TYR A 20 -3.074 7.908 -9.775 1.00 23.14 H new ATOM 335 N HIS A 21 -4.936 1.811 -7.918 1.00 32.21 N ATOM 336 CA HIS A 21 -6.269 1.976 -8.520 1.00 74.21 C ATOM 337 C HIS A 21 -6.636 3.460 -8.712 1.00 11.41 C ATOM 338 O HIS A 21 -7.719 3.783 -9.203 1.00 2.00 O ATOM 339 CB HIS A 21 -7.326 1.276 -7.653 1.00 52.21 C ATOM 340 CG HIS A 21 -7.207 -0.223 -7.635 1.00 12.51 C ATOM 341 ND1 HIS A 21 -8.268 -1.066 -7.892 1.00 21.43 N ATOM 342 CD2 HIS A 21 -6.149 -1.030 -7.377 1.00 1.54 C ATOM 343 CE1 HIS A 21 -7.868 -2.318 -7.802 1.00 63.25 C ATOM 344 NE2 HIS A 21 -6.590 -2.324 -7.491 1.00 33.35 N ATOM 0 H HIS A 21 -4.908 1.957 -6.909 1.00 32.21 H new ATOM 0 HA HIS A 21 -6.245 1.516 -9.508 1.00 74.21 H new ATOM 0 HB2 HIS A 21 -7.248 1.649 -6.632 1.00 52.21 H new ATOM 0 HB3 HIS A 21 -8.317 1.547 -8.017 1.00 52.21 H new ATOM 0 HD2 HIS A 21 -5.147 -0.714 -7.128 1.00 1.54 H new ATOM 0 HE1 HIS A 21 -8.485 -3.191 -7.957 1.00 63.25 H new ATOM 0 HE2 HIS A 21 -6.018 -3.158 -7.356 1.00 33.35 H new ATOM 353 N GLY A 22 -5.729 4.354 -8.333 1.00 14.52 N ATOM 354 CA GLY A 22 -5.990 5.785 -8.454 1.00 10.33 C ATOM 355 C GLY A 22 -6.708 6.369 -7.241 1.00 43.43 C ATOM 356 O GLY A 22 -6.670 5.799 -6.152 1.00 15.54 O ATOM 0 H GLY A 22 -4.816 4.118 -7.944 1.00 14.52 H new ATOM 0 HA2 GLY A 22 -5.045 6.309 -8.596 1.00 10.33 H new ATOM 0 HA3 GLY A 22 -6.591 5.964 -9.345 1.00 10.33 H new ATOM 360 N ALA A 23 -7.369 7.500 -7.428 1.00 10.24 N ATOM 361 CA ALA A 23 -8.064 8.192 -6.336 1.00 63.02 C ATOM 362 C ALA A 23 -9.488 7.649 -6.110 1.00 31.31 C ATOM 363 O ALA A 23 -10.454 8.415 -6.030 1.00 22.51 O ATOM 364 CB ALA A 23 -8.098 9.686 -6.630 1.00 35.31 C ATOM 0 H ALA A 23 -7.443 7.968 -8.331 1.00 10.24 H new ATOM 0 HA ALA A 23 -7.512 8.009 -5.414 1.00 63.02 H new ATOM 0 HB1 ALA A 23 -8.613 10.204 -5.821 1.00 35.31 H new ATOM 0 HB2 ALA A 23 -7.079 10.064 -6.712 1.00 35.31 H new ATOM 0 HB3 ALA A 23 -8.626 9.860 -7.567 1.00 35.31 H new ATOM 370 N ILE A 24 -9.609 6.331 -5.973 1.00 24.22 N ATOM 371 CA ILE A 24 -10.915 5.692 -5.767 1.00 0.11 C ATOM 372 C ILE A 24 -11.444 5.917 -4.335 1.00 31.15 C ATOM 373 O ILE A 24 -10.668 6.149 -3.402 1.00 3.12 O ATOM 374 CB ILE A 24 -10.858 4.167 -6.050 1.00 43.11 C ATOM 375 CG1 ILE A 24 -9.898 3.463 -5.074 1.00 43.22 C ATOM 376 CG2 ILE A 24 -10.446 3.908 -7.498 1.00 62.31 C ATOM 377 CD1 ILE A 24 -9.890 1.955 -5.209 1.00 54.13 C ATOM 0 H ILE A 24 -8.823 5.682 -6.000 1.00 24.22 H new ATOM 0 HA ILE A 24 -11.597 6.162 -6.475 1.00 0.11 H new ATOM 0 HB ILE A 24 -11.855 3.753 -5.897 1.00 43.11 H new ATOM 0 HG12 ILE A 24 -8.888 3.839 -5.237 1.00 43.22 H new ATOM 0 HG13 ILE A 24 -10.175 3.726 -4.053 1.00 43.22 H new ATOM 0 HG21 ILE A 24 -10.411 2.834 -7.680 1.00 62.31 H new ATOM 0 HG22 ILE A 24 -11.171 4.366 -8.170 1.00 62.31 H new ATOM 0 HG23 ILE A 24 -9.461 4.339 -7.679 1.00 62.31 H new ATOM 0 HD11 ILE A 24 -9.191 1.529 -4.490 1.00 54.13 H new ATOM 0 HD12 ILE A 24 -10.890 1.567 -5.016 1.00 54.13 H new ATOM 0 HD13 ILE A 24 -9.583 1.682 -6.219 1.00 54.13 H new ATOM 389 N PRO A 25 -12.778 5.881 -4.153 1.00 21.21 N ATOM 390 CA PRO A 25 -13.411 5.992 -2.821 1.00 33.22 C ATOM 391 C PRO A 25 -12.929 4.925 -1.819 1.00 5.55 C ATOM 392 O PRO A 25 -12.535 3.818 -2.204 1.00 13.42 O ATOM 393 CB PRO A 25 -14.906 5.789 -3.125 1.00 30.40 C ATOM 394 CG PRO A 25 -15.060 6.165 -4.559 1.00 2.34 C ATOM 395 CD PRO A 25 -13.781 5.750 -5.230 1.00 72.41 C ATOM 0 HA PRO A 25 -13.167 6.943 -2.347 1.00 33.22 H new ATOM 0 HB2 PRO A 25 -15.207 4.756 -2.953 1.00 30.40 H new ATOM 0 HB3 PRO A 25 -15.528 6.414 -2.484 1.00 30.40 H new ATOM 0 HG2 PRO A 25 -15.917 5.661 -5.006 1.00 2.34 H new ATOM 0 HG3 PRO A 25 -15.228 7.237 -4.667 1.00 2.34 H new ATOM 0 HD2 PRO A 25 -13.837 4.729 -5.607 1.00 72.41 H new ATOM 0 HD3 PRO A 25 -13.546 6.391 -6.080 1.00 72.41 H new ATOM 403 N ARG A 26 -12.979 5.261 -0.527 1.00 72.12 N ATOM 404 CA ARG A 26 -12.616 4.317 0.541 1.00 11.43 C ATOM 405 C ARG A 26 -13.411 3.009 0.408 1.00 15.01 C ATOM 406 O ARG A 26 -12.879 1.915 0.623 1.00 3.02 O ATOM 407 CB ARG A 26 -12.890 4.942 1.916 1.00 73.20 C ATOM 408 CG ARG A 26 -12.507 4.045 3.093 1.00 22.44 C ATOM 409 CD ARG A 26 -13.116 4.540 4.402 1.00 15.43 C ATOM 410 NE ARG A 26 -14.578 4.576 4.336 1.00 5.51 N ATOM 411 CZ ARG A 26 -15.373 4.327 5.343 1.00 34.52 C ATOM 412 NH1 ARG A 26 -14.896 4.046 6.513 1.00 4.35 N ATOM 413 NH2 ARG A 26 -16.652 4.371 5.166 1.00 73.03 N ATOM 0 H ARG A 26 -13.267 6.180 -0.192 1.00 72.12 H new ATOM 0 HA ARG A 26 -11.553 4.094 0.447 1.00 11.43 H new ATOM 0 HB2 ARG A 26 -12.341 5.880 1.993 1.00 73.20 H new ATOM 0 HB3 ARG A 26 -13.950 5.186 1.988 1.00 73.20 H new ATOM 0 HG2 ARG A 26 -12.842 3.026 2.898 1.00 22.44 H new ATOM 0 HG3 ARG A 26 -11.422 4.011 3.187 1.00 22.44 H new ATOM 0 HD2 ARG A 26 -12.804 3.889 5.218 1.00 15.43 H new ATOM 0 HD3 ARG A 26 -12.737 5.537 4.627 1.00 15.43 H new ATOM 0 HE ARG A 26 -15.006 4.812 3.441 1.00 5.51 H new ATOM 0 HH11 ARG A 26 -13.887 4.017 6.659 1.00 4.35 H new ATOM 0 HH12 ARG A 26 -15.529 3.854 7.289 1.00 4.35 H new ATOM 0 HH21 ARG A 26 -17.032 4.598 4.247 1.00 73.03 H new ATOM 0 HH22 ARG A 26 -17.282 4.178 5.945 1.00 73.03 H new ATOM 427 N ILE A 27 -14.691 3.144 0.049 1.00 41.24 N ATOM 428 CA ILE A 27 -15.572 1.986 -0.157 1.00 54.15 C ATOM 429 C ILE A 27 -14.956 0.989 -1.150 1.00 62.31 C ATOM 430 O ILE A 27 -14.701 -0.164 -0.811 1.00 42.41 O ATOM 431 CB ILE A 27 -16.957 2.436 -0.701 1.00 2.32 C ATOM 432 CG1 ILE A 27 -17.622 3.431 0.264 1.00 61.11 C ATOM 433 CG2 ILE A 27 -17.868 1.229 -0.952 1.00 65.33 C ATOM 434 CD1 ILE A 27 -18.939 3.987 -0.239 1.00 24.01 C ATOM 0 H ILE A 27 -15.143 4.045 -0.106 1.00 41.24 H new ATOM 0 HA ILE A 27 -15.696 1.501 0.811 1.00 54.15 H new ATOM 0 HB ILE A 27 -16.798 2.939 -1.655 1.00 2.32 H new ATOM 0 HG12 ILE A 27 -17.789 2.937 1.221 1.00 61.11 H new ATOM 0 HG13 ILE A 27 -16.936 4.258 0.447 1.00 61.11 H new ATOM 0 HG21 ILE A 27 -18.830 1.572 -1.332 1.00 65.33 H new ATOM 0 HG22 ILE A 27 -17.403 0.568 -1.684 1.00 65.33 H new ATOM 0 HG23 ILE A 27 -18.019 0.687 -0.019 1.00 65.33 H new ATOM 0 HD11 ILE A 27 -19.346 4.681 0.497 1.00 24.01 H new ATOM 0 HD12 ILE A 27 -18.777 4.511 -1.181 1.00 24.01 H new ATOM 0 HD13 ILE A 27 -19.643 3.170 -0.395 1.00 24.01 H new ATOM 446 N GLU A 28 -14.674 1.469 -2.359 1.00 43.43 N ATOM 447 CA GLU A 28 -14.148 0.624 -3.439 1.00 71.53 C ATOM 448 C GLU A 28 -12.822 -0.043 -3.045 1.00 72.44 C ATOM 449 O GLU A 28 -12.511 -1.148 -3.494 1.00 21.43 O ATOM 450 CB GLU A 28 -13.960 1.469 -4.707 1.00 4.43 C ATOM 451 CG GLU A 28 -15.233 2.177 -5.165 1.00 64.33 C ATOM 452 CD GLU A 28 -16.334 1.213 -5.580 1.00 41.23 C ATOM 453 OE1 GLU A 28 -16.282 0.703 -6.718 1.00 24.12 O ATOM 454 OE2 GLU A 28 -17.255 0.962 -4.773 1.00 35.41 O ATOM 0 H GLU A 28 -14.801 2.447 -2.621 1.00 43.43 H new ATOM 0 HA GLU A 28 -14.869 -0.171 -3.630 1.00 71.53 H new ATOM 0 HB2 GLU A 28 -13.185 2.214 -4.525 1.00 4.43 H new ATOM 0 HB3 GLU A 28 -13.602 0.827 -5.512 1.00 4.43 H new ATOM 0 HG2 GLU A 28 -15.599 2.812 -4.358 1.00 64.33 H new ATOM 0 HG3 GLU A 28 -14.996 2.832 -6.004 1.00 64.33 H new ATOM 461 N ALA A 29 -12.048 0.641 -2.204 1.00 43.51 N ATOM 462 CA ALA A 29 -10.760 0.118 -1.733 1.00 20.13 C ATOM 463 C ALA A 29 -10.933 -1.120 -0.831 1.00 55.21 C ATOM 464 O ALA A 29 -10.181 -2.089 -0.941 1.00 45.45 O ATOM 465 CB ALA A 29 -9.992 1.210 -0.991 1.00 33.35 C ATOM 0 H ALA A 29 -12.288 1.560 -1.833 1.00 43.51 H new ATOM 0 HA ALA A 29 -10.191 -0.195 -2.609 1.00 20.13 H new ATOM 0 HB1 ALA A 29 -9.038 0.813 -0.645 1.00 33.35 H new ATOM 0 HB2 ALA A 29 -9.814 2.050 -1.663 1.00 33.35 H new ATOM 0 HB3 ALA A 29 -10.576 1.548 -0.135 1.00 33.35 H new ATOM 471 N GLN A 30 -11.926 -1.083 0.059 1.00 24.12 N ATOM 472 CA GLN A 30 -12.140 -2.178 1.021 1.00 61.05 C ATOM 473 C GLN A 30 -13.028 -3.305 0.453 1.00 60.33 C ATOM 474 O GLN A 30 -12.907 -4.463 0.867 1.00 62.00 O ATOM 475 CB GLN A 30 -12.729 -1.647 2.335 1.00 61.01 C ATOM 476 CG GLN A 30 -14.067 -0.934 2.188 1.00 71.42 C ATOM 477 CD GLN A 30 -14.637 -0.486 3.525 1.00 23.34 C ATOM 478 OE1 GLN A 30 -13.901 -0.190 4.461 1.00 71.14 O ATOM 479 NE2 GLN A 30 -15.946 -0.448 3.632 1.00 4.45 N ATOM 0 H GLN A 30 -12.593 -0.315 0.138 1.00 24.12 H new ATOM 0 HA GLN A 30 -11.159 -2.610 1.220 1.00 61.05 H new ATOM 0 HB2 GLN A 30 -12.851 -2.481 3.026 1.00 61.01 H new ATOM 0 HB3 GLN A 30 -12.014 -0.960 2.787 1.00 61.01 H new ATOM 0 HG2 GLN A 30 -13.944 -0.066 1.540 1.00 71.42 H new ATOM 0 HG3 GLN A 30 -14.778 -1.599 1.698 1.00 71.42 H new ATOM 0 HE21 GLN A 30 -16.530 -0.700 2.835 1.00 4.45 H new ATOM 0 HE22 GLN A 30 -16.378 -0.166 4.512 1.00 4.45 H new ATOM 488 N GLU A 31 -13.921 -2.971 -0.479 1.00 13.11 N ATOM 489 CA GLU A 31 -14.846 -3.962 -1.063 1.00 75.13 C ATOM 490 C GLU A 31 -14.107 -5.149 -1.720 1.00 12.41 C ATOM 491 O GLU A 31 -14.618 -6.268 -1.747 1.00 15.01 O ATOM 492 CB GLU A 31 -15.768 -3.301 -2.101 1.00 4.31 C ATOM 493 CG GLU A 31 -16.713 -2.245 -1.529 1.00 32.41 C ATOM 494 CD GLU A 31 -17.659 -2.789 -0.469 1.00 73.41 C ATOM 495 OE1 GLU A 31 -18.552 -3.590 -0.812 1.00 45.02 O ATOM 496 OE2 GLU A 31 -17.519 -2.411 0.715 1.00 22.34 O ATOM 0 H GLU A 31 -14.029 -2.027 -0.849 1.00 13.11 H new ATOM 0 HA GLU A 31 -15.439 -4.353 -0.236 1.00 75.13 H new ATOM 0 HB2 GLU A 31 -15.152 -2.839 -2.873 1.00 4.31 H new ATOM 0 HB3 GLU A 31 -16.361 -4.076 -2.587 1.00 4.31 H new ATOM 0 HG2 GLU A 31 -16.123 -1.436 -1.098 1.00 32.41 H new ATOM 0 HG3 GLU A 31 -17.299 -1.815 -2.341 1.00 32.41 H new ATOM 503 N LEU A 32 -12.904 -4.903 -2.242 1.00 44.10 N ATOM 504 CA LEU A 32 -12.145 -5.944 -2.962 1.00 2.52 C ATOM 505 C LEU A 32 -11.253 -6.779 -2.017 1.00 43.15 C ATOM 506 O LEU A 32 -10.533 -7.680 -2.462 1.00 72.31 O ATOM 507 CB LEU A 32 -11.304 -5.296 -4.079 1.00 62.23 C ATOM 508 CG LEU A 32 -10.198 -4.319 -3.624 1.00 13.34 C ATOM 509 CD1 LEU A 32 -8.900 -5.059 -3.301 1.00 63.14 C ATOM 510 CD2 LEU A 32 -9.958 -3.249 -4.686 1.00 74.32 C ATOM 0 H LEU A 32 -12.431 -4.001 -2.184 1.00 44.10 H new ATOM 0 HA LEU A 32 -12.863 -6.634 -3.404 1.00 2.52 H new ATOM 0 HB2 LEU A 32 -10.839 -6.091 -4.662 1.00 62.23 H new ATOM 0 HB3 LEU A 32 -11.978 -4.762 -4.749 1.00 62.23 H new ATOM 0 HG LEU A 32 -10.538 -3.831 -2.710 1.00 13.34 H new ATOM 0 HD11 LEU A 32 -8.142 -4.343 -2.984 1.00 63.14 H new ATOM 0 HD12 LEU A 32 -9.080 -5.776 -2.500 1.00 63.14 H new ATOM 0 HD13 LEU A 32 -8.552 -5.587 -4.189 1.00 63.14 H new ATOM 0 HD21 LEU A 32 -9.175 -2.570 -4.348 1.00 74.32 H new ATOM 0 HD22 LEU A 32 -9.649 -3.724 -5.617 1.00 74.32 H new ATOM 0 HD23 LEU A 32 -10.878 -2.689 -4.852 1.00 74.32 H new ATOM 522 N LEU A 33 -11.312 -6.484 -0.721 1.00 15.45 N ATOM 523 CA LEU A 33 -10.497 -7.183 0.282 1.00 24.30 C ATOM 524 C LEU A 33 -11.272 -8.358 0.911 1.00 11.04 C ATOM 525 O LEU A 33 -12.311 -8.157 1.545 1.00 13.42 O ATOM 526 CB LEU A 33 -10.073 -6.189 1.373 1.00 23.44 C ATOM 527 CG LEU A 33 -9.300 -4.955 0.874 1.00 14.55 C ATOM 528 CD1 LEU A 33 -9.018 -3.986 2.020 1.00 62.03 C ATOM 529 CD2 LEU A 33 -8.001 -5.366 0.190 1.00 12.04 C ATOM 0 H LEU A 33 -11.919 -5.761 -0.334 1.00 15.45 H new ATOM 0 HA LEU A 33 -9.614 -7.591 -0.210 1.00 24.30 H new ATOM 0 HB2 LEU A 33 -10.965 -5.850 1.899 1.00 23.44 H new ATOM 0 HB3 LEU A 33 -9.455 -6.715 2.100 1.00 23.44 H new ATOM 0 HG LEU A 33 -9.925 -4.444 0.142 1.00 14.55 H new ATOM 0 HD11 LEU A 33 -8.471 -3.123 1.640 1.00 62.03 H new ATOM 0 HD12 LEU A 33 -9.960 -3.655 2.457 1.00 62.03 H new ATOM 0 HD13 LEU A 33 -8.421 -4.487 2.782 1.00 62.03 H new ATOM 0 HD21 LEU A 33 -7.473 -4.476 -0.154 1.00 12.04 H new ATOM 0 HD22 LEU A 33 -7.374 -5.910 0.897 1.00 12.04 H new ATOM 0 HD23 LEU A 33 -8.226 -6.007 -0.663 1.00 12.04 H new ATOM 541 N LYS A 34 -10.767 -9.582 0.738 1.00 24.22 N ATOM 542 CA LYS A 34 -11.440 -10.783 1.271 1.00 43.12 C ATOM 543 C LYS A 34 -10.454 -11.784 1.904 1.00 62.22 C ATOM 544 O LYS A 34 -10.722 -12.327 2.979 1.00 72.03 O ATOM 545 CB LYS A 34 -12.266 -11.489 0.176 1.00 3.31 C ATOM 546 CG LYS A 34 -11.542 -11.659 -1.163 1.00 51.55 C ATOM 547 CD LYS A 34 -11.862 -10.518 -2.126 1.00 51.34 C ATOM 548 CE LYS A 34 -11.082 -10.629 -3.432 1.00 30.55 C ATOM 549 NZ LYS A 34 -9.646 -10.284 -3.253 1.00 61.13 N ATOM 0 H LYS A 34 -9.900 -9.774 0.237 1.00 24.22 H new ATOM 0 HA LYS A 34 -12.108 -10.433 2.058 1.00 43.12 H new ATOM 0 HB2 LYS A 34 -12.562 -12.473 0.541 1.00 3.31 H new ATOM 0 HB3 LYS A 34 -13.182 -10.922 0.009 1.00 3.31 H new ATOM 0 HG2 LYS A 34 -10.466 -11.701 -0.992 1.00 51.55 H new ATOM 0 HG3 LYS A 34 -11.830 -12.608 -1.615 1.00 51.55 H new ATOM 0 HD2 LYS A 34 -12.930 -10.516 -2.342 1.00 51.34 H new ATOM 0 HD3 LYS A 34 -11.632 -9.566 -1.648 1.00 51.34 H new ATOM 0 HE2 LYS A 34 -11.166 -11.644 -3.819 1.00 30.55 H new ATOM 0 HE3 LYS A 34 -11.524 -9.967 -4.176 1.00 30.55 H new ATOM 0 HZ1 LYS A 34 -9.113 -10.563 -4.101 1.00 61.13 H new ATOM 0 HZ2 LYS A 34 -9.551 -9.259 -3.107 1.00 61.13 H new ATOM 0 HZ3 LYS A 34 -9.268 -10.788 -2.426 1.00 61.13 H new ATOM 563 N LYS A 35 -9.327 -12.043 1.243 1.00 63.54 N ATOM 564 CA LYS A 35 -8.340 -13.000 1.763 1.00 71.14 C ATOM 565 C LYS A 35 -7.141 -12.289 2.402 1.00 32.01 C ATOM 566 O LYS A 35 -6.822 -11.145 2.064 1.00 34.31 O ATOM 567 CB LYS A 35 -7.836 -13.936 0.650 1.00 51.41 C ATOM 568 CG LYS A 35 -7.196 -13.209 -0.529 1.00 72.14 C ATOM 569 CD LYS A 35 -6.311 -14.128 -1.370 1.00 13.40 C ATOM 570 CE LYS A 35 -5.048 -14.548 -0.617 1.00 4.30 C ATOM 571 NZ LYS A 35 -4.130 -15.354 -1.466 1.00 13.33 N ATOM 0 H LYS A 35 -9.072 -11.611 0.355 1.00 63.54 H new ATOM 0 HA LYS A 35 -8.848 -13.587 2.528 1.00 71.14 H new ATOM 0 HB2 LYS A 35 -7.110 -14.630 1.074 1.00 51.41 H new ATOM 0 HB3 LYS A 35 -8.672 -14.533 0.285 1.00 51.41 H new ATOM 0 HG2 LYS A 35 -7.978 -12.786 -1.159 1.00 72.14 H new ATOM 0 HG3 LYS A 35 -6.600 -12.375 -0.158 1.00 72.14 H new ATOM 0 HD2 LYS A 35 -6.876 -15.016 -1.655 1.00 13.40 H new ATOM 0 HD3 LYS A 35 -6.031 -13.619 -2.292 1.00 13.40 H new ATOM 0 HE2 LYS A 35 -4.526 -13.659 -0.262 1.00 4.30 H new ATOM 0 HE3 LYS A 35 -5.327 -15.126 0.264 1.00 4.30 H new ATOM 0 HZ1 LYS A 35 -3.736 -16.137 -0.906 1.00 13.33 H new ATOM 0 HZ2 LYS A 35 -4.655 -15.739 -2.277 1.00 13.33 H new ATOM 0 HZ3 LYS A 35 -3.356 -14.751 -1.810 1.00 13.33 H new ATOM 585 N GLN A 36 -6.479 -12.982 3.329 1.00 10.41 N ATOM 586 CA GLN A 36 -5.249 -12.485 3.951 1.00 44.44 C ATOM 587 C GLN A 36 -4.171 -12.218 2.885 1.00 25.32 C ATOM 588 O GLN A 36 -3.484 -13.142 2.438 1.00 15.03 O ATOM 589 CB GLN A 36 -4.731 -13.513 4.974 1.00 41.34 C ATOM 590 CG GLN A 36 -3.522 -13.044 5.785 1.00 4.03 C ATOM 591 CD GLN A 36 -3.853 -11.949 6.787 1.00 62.43 C ATOM 592 OE1 GLN A 36 -3.036 -11.082 7.072 1.00 32.22 O ATOM 593 NE2 GLN A 36 -5.042 -11.991 7.357 1.00 61.11 N ATOM 0 H GLN A 36 -6.776 -13.897 3.669 1.00 10.41 H new ATOM 0 HA GLN A 36 -5.471 -11.547 4.460 1.00 44.44 H new ATOM 0 HB2 GLN A 36 -5.539 -13.762 5.661 1.00 41.34 H new ATOM 0 HB3 GLN A 36 -4.466 -14.430 4.447 1.00 41.34 H new ATOM 0 HG2 GLN A 36 -3.098 -13.896 6.316 1.00 4.03 H new ATOM 0 HG3 GLN A 36 -2.755 -12.681 5.102 1.00 4.03 H new ATOM 0 HE21 GLN A 36 -5.704 -12.724 7.102 1.00 61.11 H new ATOM 0 HE22 GLN A 36 -5.299 -11.291 8.053 1.00 61.11 H new ATOM 602 N GLY A 37 -4.052 -10.964 2.457 1.00 34.02 N ATOM 603 CA GLY A 37 -3.057 -10.615 1.449 1.00 11.22 C ATOM 604 C GLY A 37 -3.486 -9.492 0.510 1.00 45.32 C ATOM 605 O GLY A 37 -2.663 -8.658 0.130 1.00 41.11 O ATOM 0 H GLY A 37 -4.622 -10.185 2.786 1.00 34.02 H new ATOM 0 HA2 GLY A 37 -2.135 -10.322 1.951 1.00 11.22 H new ATOM 0 HA3 GLY A 37 -2.829 -11.501 0.857 1.00 11.22 H new ATOM 609 N ASP A 38 -4.773 -9.463 0.139 1.00 63.14 N ATOM 610 CA ASP A 38 -5.287 -8.460 -0.811 1.00 13.34 C ATOM 611 C ASP A 38 -4.866 -7.033 -0.416 1.00 51.10 C ATOM 612 O ASP A 38 -5.132 -6.591 0.703 1.00 22.42 O ATOM 613 CB ASP A 38 -6.820 -8.519 -0.889 1.00 44.15 C ATOM 614 CG ASP A 38 -7.359 -9.844 -1.396 1.00 2.30 C ATOM 615 OD1 ASP A 38 -6.753 -10.440 -2.310 1.00 61.25 O ATOM 616 OD2 ASP A 38 -8.422 -10.284 -0.901 1.00 23.53 O ATOM 0 H ASP A 38 -5.477 -10.118 0.479 1.00 63.14 H new ATOM 0 HA ASP A 38 -4.857 -8.698 -1.784 1.00 13.34 H new ATOM 0 HB2 ASP A 38 -7.232 -8.325 0.101 1.00 44.15 H new ATOM 0 HB3 ASP A 38 -7.172 -7.721 -1.543 1.00 44.15 H new ATOM 621 N PHE A 39 -4.217 -6.316 -1.332 1.00 0.02 N ATOM 622 CA PHE A 39 -3.798 -4.936 -1.062 1.00 43.04 C ATOM 623 C PHE A 39 -3.863 -4.052 -2.317 1.00 74.11 C ATOM 624 O PHE A 39 -3.759 -4.540 -3.447 1.00 62.25 O ATOM 625 CB PHE A 39 -2.376 -4.905 -0.473 1.00 10.05 C ATOM 626 CG PHE A 39 -1.277 -5.232 -1.460 1.00 21.12 C ATOM 627 CD1 PHE A 39 -0.958 -6.548 -1.759 1.00 11.31 C ATOM 628 CD2 PHE A 39 -0.554 -4.217 -2.075 1.00 62.11 C ATOM 629 CE1 PHE A 39 0.057 -6.842 -2.650 1.00 71.12 C ATOM 630 CE2 PHE A 39 0.458 -4.509 -2.969 1.00 11.43 C ATOM 631 CZ PHE A 39 0.763 -5.822 -3.257 1.00 71.14 C ATOM 0 H PHE A 39 -3.970 -6.661 -2.260 1.00 0.02 H new ATOM 0 HA PHE A 39 -4.500 -4.530 -0.334 1.00 43.04 H new ATOM 0 HB2 PHE A 39 -2.190 -3.914 -0.058 1.00 10.05 H new ATOM 0 HB3 PHE A 39 -2.325 -5.612 0.355 1.00 10.05 H new ATOM 0 HD1 PHE A 39 -1.508 -7.351 -1.291 1.00 11.31 H new ATOM 0 HD2 PHE A 39 -0.786 -3.186 -1.851 1.00 62.11 H new ATOM 0 HE1 PHE A 39 0.298 -7.871 -2.872 1.00 71.12 H new ATOM 0 HE2 PHE A 39 1.009 -3.710 -3.442 1.00 11.43 H new ATOM 0 HZ PHE A 39 1.553 -6.053 -3.956 1.00 71.14 H new ATOM 641 N LEU A 40 -4.035 -2.749 -2.102 1.00 30.34 N ATOM 642 CA LEU A 40 -4.014 -1.764 -3.186 1.00 11.34 C ATOM 643 C LEU A 40 -3.604 -0.378 -2.665 1.00 12.13 C ATOM 644 O LEU A 40 -3.784 -0.067 -1.485 1.00 44.51 O ATOM 645 CB LEU A 40 -5.390 -1.652 -3.867 1.00 70.24 C ATOM 646 CG LEU A 40 -6.496 -0.993 -3.021 1.00 23.25 C ATOM 647 CD1 LEU A 40 -7.660 -0.552 -3.903 1.00 45.21 C ATOM 648 CD2 LEU A 40 -6.989 -1.939 -1.931 1.00 15.52 C ATOM 0 H LEU A 40 -4.192 -2.346 -1.178 1.00 30.34 H new ATOM 0 HA LEU A 40 -3.280 -2.110 -3.914 1.00 11.34 H new ATOM 0 HB2 LEU A 40 -5.274 -1.083 -4.789 1.00 70.24 H new ATOM 0 HB3 LEU A 40 -5.719 -2.652 -4.149 1.00 70.24 H new ATOM 0 HG LEU A 40 -6.069 -0.112 -2.542 1.00 23.25 H new ATOM 0 HD11 LEU A 40 -8.430 -0.089 -3.285 1.00 45.21 H new ATOM 0 HD12 LEU A 40 -7.305 0.168 -4.641 1.00 45.21 H new ATOM 0 HD13 LEU A 40 -8.078 -1.419 -4.414 1.00 45.21 H new ATOM 0 HD21 LEU A 40 -7.769 -1.448 -1.349 1.00 15.52 H new ATOM 0 HD22 LEU A 40 -7.392 -2.843 -2.388 1.00 15.52 H new ATOM 0 HD23 LEU A 40 -6.159 -2.203 -1.276 1.00 15.52 H new ATOM 660 N VAL A 41 -3.065 0.453 -3.552 1.00 31.25 N ATOM 661 CA VAL A 41 -2.725 1.839 -3.215 1.00 74.42 C ATOM 662 C VAL A 41 -3.654 2.821 -3.945 1.00 62.53 C ATOM 663 O VAL A 41 -3.804 2.763 -5.172 1.00 3.41 O ATOM 664 CB VAL A 41 -1.248 2.165 -3.566 1.00 60.43 C ATOM 665 CG1 VAL A 41 -0.922 3.634 -3.284 1.00 4.20 C ATOM 666 CG2 VAL A 41 -0.299 1.244 -2.798 1.00 53.00 C ATOM 0 H VAL A 41 -2.852 0.193 -4.515 1.00 31.25 H new ATOM 0 HA VAL A 41 -2.858 1.950 -2.139 1.00 74.42 H new ATOM 0 HB VAL A 41 -1.110 1.993 -4.633 1.00 60.43 H new ATOM 0 HG11 VAL A 41 0.119 3.831 -3.540 1.00 4.20 H new ATOM 0 HG12 VAL A 41 -1.570 4.272 -3.884 1.00 4.20 H new ATOM 0 HG13 VAL A 41 -1.082 3.846 -2.227 1.00 4.20 H new ATOM 0 HG21 VAL A 41 0.732 1.487 -3.056 1.00 53.00 H new ATOM 0 HG22 VAL A 41 -0.447 1.381 -1.727 1.00 53.00 H new ATOM 0 HG23 VAL A 41 -0.505 0.207 -3.063 1.00 53.00 H new ATOM 676 N ARG A 42 -4.290 3.707 -3.186 1.00 52.14 N ATOM 677 CA ARG A 42 -5.168 4.733 -3.759 1.00 51.53 C ATOM 678 C ARG A 42 -4.732 6.136 -3.313 1.00 64.02 C ATOM 679 O ARG A 42 -3.997 6.281 -2.339 1.00 72.02 O ATOM 680 CB ARG A 42 -6.627 4.487 -3.342 1.00 64.11 C ATOM 681 CG ARG A 42 -6.897 4.718 -1.857 1.00 50.11 C ATOM 682 CD ARG A 42 -8.379 4.590 -1.520 1.00 44.55 C ATOM 683 NE ARG A 42 -8.663 5.013 -0.147 1.00 73.31 N ATOM 684 CZ ARG A 42 -9.422 6.029 0.169 1.00 1.32 C ATOM 685 NH1 ARG A 42 -10.019 6.727 -0.748 1.00 70.34 N ATOM 686 NH2 ARG A 42 -9.593 6.344 1.410 1.00 53.40 N ATOM 0 H ARG A 42 -4.216 3.739 -2.169 1.00 52.14 H new ATOM 0 HA ARG A 42 -5.092 4.671 -4.845 1.00 51.53 H new ATOM 0 HB2 ARG A 42 -7.276 5.141 -3.925 1.00 64.11 H new ATOM 0 HB3 ARG A 42 -6.898 3.462 -3.595 1.00 64.11 H new ATOM 0 HG2 ARG A 42 -6.328 3.998 -1.269 1.00 50.11 H new ATOM 0 HG3 ARG A 42 -6.545 5.710 -1.574 1.00 50.11 H new ATOM 0 HD2 ARG A 42 -8.963 5.194 -2.215 1.00 44.55 H new ATOM 0 HD3 ARG A 42 -8.694 3.555 -1.654 1.00 44.55 H new ATOM 0 HE ARG A 42 -8.241 4.479 0.613 1.00 73.31 H new ATOM 0 HH11 ARG A 42 -9.899 6.485 -1.732 1.00 70.34 H new ATOM 0 HH12 ARG A 42 -10.608 7.517 -0.485 1.00 70.34 H new ATOM 0 HH21 ARG A 42 -9.136 5.800 2.142 1.00 53.40 H new ATOM 0 HH22 ARG A 42 -10.185 7.137 1.658 1.00 53.40 H new ATOM 700 N GLU A 43 -5.188 7.165 -4.020 1.00 65.41 N ATOM 701 CA GLU A 43 -4.890 8.551 -3.636 1.00 55.23 C ATOM 702 C GLU A 43 -6.117 9.223 -3.001 1.00 51.44 C ATOM 703 O GLU A 43 -7.260 8.912 -3.341 1.00 3.12 O ATOM 704 CB GLU A 43 -4.410 9.365 -4.853 1.00 64.23 C ATOM 705 CG GLU A 43 -4.056 10.815 -4.520 1.00 75.44 C ATOM 706 CD GLU A 43 -3.524 11.595 -5.710 1.00 11.31 C ATOM 707 OE1 GLU A 43 -4.190 11.606 -6.772 1.00 40.55 O ATOM 708 OE2 GLU A 43 -2.443 12.209 -5.592 1.00 61.34 O ATOM 0 H GLU A 43 -5.762 7.072 -4.858 1.00 65.41 H new ATOM 0 HA GLU A 43 -4.090 8.525 -2.896 1.00 55.23 H new ATOM 0 HB2 GLU A 43 -3.536 8.877 -5.284 1.00 64.23 H new ATOM 0 HB3 GLU A 43 -5.189 9.356 -5.615 1.00 64.23 H new ATOM 0 HG2 GLU A 43 -4.942 11.318 -4.132 1.00 75.44 H new ATOM 0 HG3 GLU A 43 -3.310 10.826 -3.725 1.00 75.44 H new ATOM 715 N SER A 44 -5.870 10.140 -2.069 1.00 40.31 N ATOM 716 CA SER A 44 -6.948 10.874 -1.391 1.00 22.04 C ATOM 717 C SER A 44 -7.623 11.881 -2.338 1.00 11.30 C ATOM 718 O SER A 44 -6.998 12.396 -3.263 1.00 41.45 O ATOM 719 CB SER A 44 -6.401 11.599 -0.155 1.00 74.23 C ATOM 720 OG SER A 44 -5.815 10.686 0.762 1.00 1.42 O ATOM 0 H SER A 44 -4.932 10.397 -1.762 1.00 40.31 H new ATOM 0 HA SER A 44 -7.700 10.149 -1.078 1.00 22.04 H new ATOM 0 HB2 SER A 44 -5.659 12.336 -0.462 1.00 74.23 H new ATOM 0 HB3 SER A 44 -7.207 12.144 0.336 1.00 74.23 H new ATOM 0 HG SER A 44 -4.929 10.421 0.438 1.00 1.42 H new ATOM 726 N HIS A 45 -8.900 12.165 -2.095 1.00 15.24 N ATOM 727 CA HIS A 45 -9.681 13.050 -2.972 1.00 62.03 C ATOM 728 C HIS A 45 -9.398 14.539 -2.694 1.00 21.22 C ATOM 729 O HIS A 45 -9.086 15.300 -3.609 1.00 5.10 O ATOM 730 CB HIS A 45 -11.178 12.752 -2.824 1.00 3.54 C ATOM 731 CG HIS A 45 -11.578 11.396 -3.339 1.00 42.02 C ATOM 732 ND1 HIS A 45 -12.725 11.175 -4.067 1.00 73.33 N ATOM 733 CD2 HIS A 45 -10.976 10.186 -3.230 1.00 0.32 C ATOM 734 CE1 HIS A 45 -12.812 9.900 -4.380 1.00 50.14 C ATOM 735 NE2 HIS A 45 -11.765 9.274 -3.886 1.00 62.52 N ATOM 0 H HIS A 45 -9.421 11.798 -1.299 1.00 15.24 H new ATOM 0 HA HIS A 45 -9.374 12.850 -3.999 1.00 62.03 H new ATOM 0 HB2 HIS A 45 -11.452 12.827 -1.772 1.00 3.54 H new ATOM 0 HB3 HIS A 45 -11.746 13.515 -3.356 1.00 3.54 H new ATOM 0 HD1 HIS A 45 -13.404 11.891 -4.325 1.00 73.33 H new ATOM 0 HD2 HIS A 45 -10.047 9.978 -2.721 1.00 0.32 H new ATOM 0 HE1 HIS A 45 -13.609 9.443 -4.948 1.00 50.14 H new ATOM 744 N GLY A 46 -9.507 14.951 -1.431 1.00 24.43 N ATOM 745 CA GLY A 46 -9.251 16.346 -1.063 1.00 22.43 C ATOM 746 C GLY A 46 -7.805 16.593 -0.642 1.00 75.53 C ATOM 747 O GLY A 46 -7.402 17.734 -0.392 1.00 51.35 O ATOM 0 H GLY A 46 -9.768 14.347 -0.652 1.00 24.43 H new ATOM 0 HA2 GLY A 46 -9.493 16.990 -1.909 1.00 22.43 H new ATOM 0 HA3 GLY A 46 -9.915 16.629 -0.246 1.00 22.43 H new ATOM 751 N LYS A 47 -7.016 15.522 -0.578 1.00 2.43 N ATOM 752 CA LYS A 47 -5.618 15.603 -0.139 1.00 22.33 C ATOM 753 C LYS A 47 -4.663 15.088 -1.243 1.00 43.34 C ATOM 754 O LYS A 47 -4.189 13.948 -1.195 1.00 31.21 O ATOM 755 CB LYS A 47 -5.458 14.789 1.161 1.00 30.45 C ATOM 756 CG LYS A 47 -4.152 15.013 1.920 1.00 63.43 C ATOM 757 CD LYS A 47 -4.006 16.445 2.432 1.00 51.03 C ATOM 758 CE LYS A 47 -3.064 16.526 3.636 1.00 53.44 C ATOM 759 NZ LYS A 47 -1.763 15.837 3.394 1.00 32.52 N ATOM 0 H LYS A 47 -7.321 14.581 -0.826 1.00 2.43 H new ATOM 0 HA LYS A 47 -5.355 16.643 0.053 1.00 22.33 H new ATOM 0 HB2 LYS A 47 -6.289 15.029 1.824 1.00 30.45 H new ATOM 0 HB3 LYS A 47 -5.540 13.730 0.918 1.00 30.45 H new ATOM 0 HG2 LYS A 47 -4.103 14.323 2.763 1.00 63.43 H new ATOM 0 HG3 LYS A 47 -3.312 14.778 1.267 1.00 63.43 H new ATOM 0 HD2 LYS A 47 -3.628 17.080 1.631 1.00 51.03 H new ATOM 0 HD3 LYS A 47 -4.986 16.833 2.711 1.00 51.03 H new ATOM 0 HE2 LYS A 47 -2.877 17.573 3.877 1.00 53.44 H new ATOM 0 HE3 LYS A 47 -3.551 16.081 4.504 1.00 53.44 H new ATOM 0 HZ1 LYS A 47 -1.018 16.295 3.956 1.00 32.52 H new ATOM 0 HZ2 LYS A 47 -1.842 14.838 3.673 1.00 32.52 H new ATOM 0 HZ3 LYS A 47 -1.521 15.897 2.384 1.00 32.52 H new ATOM 773 N PRO A 48 -4.381 15.925 -2.268 1.00 24.44 N ATOM 774 CA PRO A 48 -3.559 15.522 -3.428 1.00 31.22 C ATOM 775 C PRO A 48 -2.088 15.263 -3.062 1.00 33.01 C ATOM 776 O PRO A 48 -1.426 16.106 -2.449 1.00 33.34 O ATOM 777 CB PRO A 48 -3.683 16.718 -4.386 1.00 4.21 C ATOM 778 CG PRO A 48 -3.991 17.881 -3.502 1.00 72.45 C ATOM 779 CD PRO A 48 -4.827 17.332 -2.375 1.00 0.11 C ATOM 0 HA PRO A 48 -3.901 14.579 -3.855 1.00 31.22 H new ATOM 0 HB2 PRO A 48 -2.759 16.877 -4.942 1.00 4.21 H new ATOM 0 HB3 PRO A 48 -4.473 16.558 -5.119 1.00 4.21 H new ATOM 0 HG2 PRO A 48 -3.076 18.337 -3.124 1.00 72.45 H new ATOM 0 HG3 PRO A 48 -4.531 18.655 -4.048 1.00 72.45 H new ATOM 0 HD2 PRO A 48 -4.658 17.878 -1.447 1.00 0.11 H new ATOM 0 HD3 PRO A 48 -5.892 17.400 -2.596 1.00 0.11 H new ATOM 787 N GLY A 49 -1.572 14.100 -3.458 1.00 34.02 N ATOM 788 CA GLY A 49 -0.207 13.723 -3.106 1.00 55.30 C ATOM 789 C GLY A 49 -0.134 12.844 -1.860 1.00 64.30 C ATOM 790 O GLY A 49 0.952 12.426 -1.449 1.00 11.34 O ATOM 0 H GLY A 49 -2.074 13.410 -4.017 1.00 34.02 H new ATOM 0 HA2 GLY A 49 0.246 13.194 -3.944 1.00 55.30 H new ATOM 0 HA3 GLY A 49 0.383 14.625 -2.943 1.00 55.30 H new ATOM 794 N GLU A 50 -1.289 12.574 -1.245 1.00 40.33 N ATOM 795 CA GLU A 50 -1.362 11.681 -0.081 1.00 73.34 C ATOM 796 C GLU A 50 -2.072 10.370 -0.442 1.00 75.03 C ATOM 797 O GLU A 50 -3.283 10.344 -0.687 1.00 42.44 O ATOM 798 CB GLU A 50 -2.081 12.374 1.083 1.00 64.23 C ATOM 799 CG GLU A 50 -2.124 11.546 2.365 1.00 71.21 C ATOM 800 CD GLU A 50 -2.692 12.322 3.543 1.00 35.32 C ATOM 801 OE1 GLU A 50 -1.963 13.171 4.106 1.00 50.23 O ATOM 802 OE2 GLU A 50 -3.870 12.106 3.899 1.00 13.21 O ATOM 0 H GLU A 50 -2.188 12.961 -1.533 1.00 40.33 H new ATOM 0 HA GLU A 50 -0.344 11.444 0.229 1.00 73.34 H new ATOM 0 HB2 GLU A 50 -1.585 13.322 1.291 1.00 64.23 H new ATOM 0 HB3 GLU A 50 -3.101 12.608 0.779 1.00 64.23 H new ATOM 0 HG2 GLU A 50 -2.728 10.654 2.197 1.00 71.21 H new ATOM 0 HG3 GLU A 50 -1.117 11.208 2.609 1.00 71.21 H new ATOM 809 N TYR A 51 -1.306 9.285 -0.478 1.00 75.32 N ATOM 810 CA TYR A 51 -1.827 7.977 -0.877 1.00 61.21 C ATOM 811 C TYR A 51 -2.090 7.080 0.342 1.00 22.01 C ATOM 812 O TYR A 51 -1.350 7.113 1.322 1.00 64.13 O ATOM 813 CB TYR A 51 -0.836 7.291 -1.831 1.00 11.45 C ATOM 814 CG TYR A 51 -0.617 8.044 -3.136 1.00 35.30 C ATOM 815 CD1 TYR A 51 0.042 9.268 -3.156 1.00 12.12 C ATOM 816 CD2 TYR A 51 -1.075 7.532 -4.347 1.00 41.53 C ATOM 817 CE1 TYR A 51 0.240 9.956 -4.335 1.00 41.42 C ATOM 818 CE2 TYR A 51 -0.876 8.216 -5.532 1.00 23.21 C ATOM 819 CZ TYR A 51 -0.221 9.428 -5.519 1.00 23.33 C ATOM 820 OH TYR A 51 -0.016 10.105 -6.698 1.00 74.04 O ATOM 0 H TYR A 51 -0.315 9.283 -0.234 1.00 75.32 H new ATOM 0 HA TYR A 51 -2.777 8.133 -1.387 1.00 61.21 H new ATOM 0 HB2 TYR A 51 0.122 7.176 -1.324 1.00 11.45 H new ATOM 0 HB3 TYR A 51 -1.199 6.288 -2.057 1.00 11.45 H new ATOM 0 HD1 TYR A 51 0.406 9.688 -2.230 1.00 12.12 H new ATOM 0 HD2 TYR A 51 -1.594 6.585 -4.361 1.00 41.53 H new ATOM 0 HE1 TYR A 51 0.755 10.905 -4.329 1.00 41.42 H new ATOM 0 HE2 TYR A 51 -1.232 7.802 -6.464 1.00 23.21 H new ATOM 0 HH TYR A 51 -0.403 9.595 -7.440 1.00 74.04 H new ATOM 830 N VAL A 52 -3.154 6.285 0.273 1.00 32.32 N ATOM 831 CA VAL A 52 -3.521 5.371 1.357 1.00 4.23 C ATOM 832 C VAL A 52 -3.427 3.903 0.906 1.00 31.41 C ATOM 833 O VAL A 52 -4.072 3.495 -0.064 1.00 43.41 O ATOM 834 CB VAL A 52 -4.958 5.656 1.866 1.00 64.51 C ATOM 835 CG1 VAL A 52 -5.318 4.745 3.043 1.00 31.14 C ATOM 836 CG2 VAL A 52 -5.106 7.128 2.252 1.00 43.21 C ATOM 0 H VAL A 52 -3.784 6.254 -0.529 1.00 32.32 H new ATOM 0 HA VAL A 52 -2.813 5.539 2.169 1.00 4.23 H new ATOM 0 HB VAL A 52 -5.654 5.441 1.055 1.00 64.51 H new ATOM 0 HG11 VAL A 52 -6.331 4.967 3.379 1.00 31.14 H new ATOM 0 HG12 VAL A 52 -5.261 3.703 2.728 1.00 31.14 H new ATOM 0 HG13 VAL A 52 -4.619 4.915 3.862 1.00 31.14 H new ATOM 0 HG21 VAL A 52 -6.120 7.311 2.607 1.00 43.21 H new ATOM 0 HG22 VAL A 52 -4.396 7.370 3.043 1.00 43.21 H new ATOM 0 HG23 VAL A 52 -4.908 7.754 1.382 1.00 43.21 H new ATOM 846 N LEU A 53 -2.620 3.119 1.616 1.00 44.23 N ATOM 847 CA LEU A 53 -2.463 1.685 1.337 1.00 34.02 C ATOM 848 C LEU A 53 -3.530 0.866 2.080 1.00 32.23 C ATOM 849 O LEU A 53 -3.611 0.899 3.305 1.00 64.14 O ATOM 850 CB LEU A 53 -1.059 1.222 1.763 1.00 63.53 C ATOM 851 CG LEU A 53 -0.780 -0.288 1.625 1.00 41.42 C ATOM 852 CD1 LEU A 53 -0.860 -0.730 0.166 1.00 32.43 C ATOM 853 CD2 LEU A 53 0.580 -0.644 2.225 1.00 44.12 C ATOM 0 H LEU A 53 -2.057 3.453 2.398 1.00 44.23 H new ATOM 0 HA LEU A 53 -2.588 1.525 0.266 1.00 34.02 H new ATOM 0 HB2 LEU A 53 -0.323 1.764 1.170 1.00 63.53 H new ATOM 0 HB3 LEU A 53 -0.903 1.508 2.803 1.00 63.53 H new ATOM 0 HG LEU A 53 -1.550 -0.824 2.180 1.00 41.42 H new ATOM 0 HD11 LEU A 53 -0.659 -1.799 0.098 1.00 32.43 H new ATOM 0 HD12 LEU A 53 -1.857 -0.523 -0.223 1.00 32.43 H new ATOM 0 HD13 LEU A 53 -0.121 -0.184 -0.421 1.00 32.43 H new ATOM 0 HD21 LEU A 53 0.757 -1.714 2.117 1.00 44.12 H new ATOM 0 HD22 LEU A 53 1.363 -0.093 1.704 1.00 44.12 H new ATOM 0 HD23 LEU A 53 0.592 -0.379 3.282 1.00 44.12 H new ATOM 865 N SER A 54 -4.355 0.137 1.335 1.00 64.13 N ATOM 866 CA SER A 54 -5.417 -0.684 1.932 1.00 22.41 C ATOM 867 C SER A 54 -5.118 -2.176 1.752 1.00 33.31 C ATOM 868 O SER A 54 -5.076 -2.677 0.631 1.00 13.13 O ATOM 869 CB SER A 54 -6.774 -0.336 1.305 1.00 64.25 C ATOM 870 OG SER A 54 -7.093 1.036 1.509 1.00 22.53 O ATOM 0 H SER A 54 -4.313 0.094 0.317 1.00 64.13 H new ATOM 0 HA SER A 54 -5.456 -0.469 3.000 1.00 22.41 H new ATOM 0 HB2 SER A 54 -6.752 -0.553 0.237 1.00 64.25 H new ATOM 0 HB3 SER A 54 -7.552 -0.963 1.741 1.00 64.25 H new ATOM 0 HG SER A 54 -7.065 1.239 2.467 1.00 22.53 H new ATOM 876 N VAL A 55 -4.907 -2.875 2.864 1.00 73.52 N ATOM 877 CA VAL A 55 -4.566 -4.302 2.838 1.00 33.31 C ATOM 878 C VAL A 55 -5.422 -5.110 3.833 1.00 53.21 C ATOM 879 O VAL A 55 -5.735 -4.639 4.928 1.00 54.12 O ATOM 880 CB VAL A 55 -3.060 -4.511 3.157 1.00 24.25 C ATOM 881 CG1 VAL A 55 -2.700 -3.892 4.508 1.00 12.22 C ATOM 882 CG2 VAL A 55 -2.687 -5.996 3.114 1.00 71.44 C ATOM 0 H VAL A 55 -4.966 -2.477 3.801 1.00 73.52 H new ATOM 0 HA VAL A 55 -4.776 -4.665 1.832 1.00 33.31 H new ATOM 0 HB VAL A 55 -2.480 -4.002 2.388 1.00 24.25 H new ATOM 0 HG11 VAL A 55 -1.641 -4.051 4.710 1.00 12.22 H new ATOM 0 HG12 VAL A 55 -2.909 -2.822 4.485 1.00 12.22 H new ATOM 0 HG13 VAL A 55 -3.293 -4.361 5.293 1.00 12.22 H new ATOM 0 HG21 VAL A 55 -1.627 -6.112 3.341 1.00 71.44 H new ATOM 0 HG22 VAL A 55 -3.278 -6.541 3.850 1.00 71.44 H new ATOM 0 HG23 VAL A 55 -2.890 -6.394 2.120 1.00 71.44 H new ATOM 892 N TYR A 56 -5.810 -6.323 3.443 1.00 2.12 N ATOM 893 CA TYR A 56 -6.574 -7.208 4.326 1.00 32.41 C ATOM 894 C TYR A 56 -5.616 -8.035 5.203 1.00 11.21 C ATOM 895 O TYR A 56 -5.029 -9.015 4.745 1.00 75.15 O ATOM 896 CB TYR A 56 -7.473 -8.132 3.487 1.00 30.42 C ATOM 897 CG TYR A 56 -8.594 -8.799 4.269 1.00 31.51 C ATOM 898 CD1 TYR A 56 -9.813 -8.156 4.449 1.00 42.02 C ATOM 899 CD2 TYR A 56 -8.441 -10.070 4.814 1.00 13.01 C ATOM 900 CE1 TYR A 56 -10.844 -8.753 5.144 1.00 12.21 C ATOM 901 CE2 TYR A 56 -9.470 -10.674 5.515 1.00 0.32 C ATOM 902 CZ TYR A 56 -10.670 -10.011 5.675 1.00 21.14 C ATOM 903 OH TYR A 56 -11.701 -10.609 6.366 1.00 10.42 O ATOM 0 H TYR A 56 -5.609 -6.717 2.524 1.00 2.12 H new ATOM 0 HA TYR A 56 -7.205 -6.605 4.979 1.00 32.41 H new ATOM 0 HB2 TYR A 56 -7.909 -7.553 2.673 1.00 30.42 H new ATOM 0 HB3 TYR A 56 -6.854 -8.905 3.032 1.00 30.42 H new ATOM 0 HD1 TYR A 56 -9.956 -7.168 4.036 1.00 42.02 H new ATOM 0 HD2 TYR A 56 -7.505 -10.593 4.688 1.00 13.01 H new ATOM 0 HE1 TYR A 56 -11.784 -8.236 5.271 1.00 12.21 H new ATOM 0 HE2 TYR A 56 -9.335 -11.660 5.935 1.00 0.32 H new ATOM 0 HH TYR A 56 -11.674 -10.326 7.304 1.00 10.42 H new ATOM 913 N SER A 57 -5.467 -7.630 6.467 1.00 51.34 N ATOM 914 CA SER A 57 -4.481 -8.247 7.372 1.00 45.12 C ATOM 915 C SER A 57 -5.095 -8.591 8.735 1.00 13.21 C ATOM 916 O SER A 57 -5.901 -7.827 9.271 1.00 62.22 O ATOM 917 CB SER A 57 -3.280 -7.311 7.576 1.00 52.34 C ATOM 918 OG SER A 57 -2.288 -7.912 8.399 1.00 15.02 O ATOM 0 H SER A 57 -6.013 -6.880 6.891 1.00 51.34 H new ATOM 0 HA SER A 57 -4.150 -9.173 6.903 1.00 45.12 H new ATOM 0 HB2 SER A 57 -2.847 -7.056 6.609 1.00 52.34 H new ATOM 0 HB3 SER A 57 -3.616 -6.379 8.030 1.00 52.34 H new ATOM 0 HG SER A 57 -2.580 -7.888 9.334 1.00 15.02 H new ATOM 924 N ASP A 58 -4.710 -9.746 9.291 1.00 32.02 N ATOM 925 CA ASP A 58 -5.235 -10.217 10.586 1.00 31.21 C ATOM 926 C ASP A 58 -6.772 -10.346 10.577 1.00 60.04 C ATOM 927 O ASP A 58 -7.415 -10.324 11.628 1.00 21.41 O ATOM 928 CB ASP A 58 -4.789 -9.271 11.711 1.00 33.22 C ATOM 929 CG ASP A 58 -3.275 -9.154 11.799 1.00 30.12 C ATOM 930 OD1 ASP A 58 -2.642 -10.001 12.468 1.00 53.12 O ATOM 931 OD2 ASP A 58 -2.708 -8.217 11.202 1.00 23.42 O ATOM 0 H ASP A 58 -4.033 -10.378 8.864 1.00 32.02 H new ATOM 0 HA ASP A 58 -4.826 -11.212 10.763 1.00 31.21 H new ATOM 0 HB2 ASP A 58 -5.219 -8.283 11.544 1.00 33.22 H new ATOM 0 HB3 ASP A 58 -5.179 -9.632 12.663 1.00 33.22 H new ATOM 936 N GLY A 59 -7.356 -10.502 9.387 1.00 22.25 N ATOM 937 CA GLY A 59 -8.809 -10.580 9.259 1.00 55.54 C ATOM 938 C GLY A 59 -9.471 -9.207 9.170 1.00 11.45 C ATOM 939 O GLY A 59 -10.667 -9.101 8.907 1.00 74.43 O ATOM 0 H GLY A 59 -6.848 -10.576 8.506 1.00 22.25 H new ATOM 0 HA2 GLY A 59 -9.060 -11.157 8.369 1.00 55.54 H new ATOM 0 HA3 GLY A 59 -9.216 -11.119 10.114 1.00 55.54 H new ATOM 943 N GLN A 60 -8.684 -8.155 9.378 1.00 44.34 N ATOM 944 CA GLN A 60 -9.185 -6.774 9.363 1.00 40.43 C ATOM 945 C GLN A 60 -8.737 -6.037 8.092 1.00 34.44 C ATOM 946 O GLN A 60 -7.653 -6.291 7.566 1.00 54.20 O ATOM 947 CB GLN A 60 -8.648 -6.016 10.585 1.00 31.44 C ATOM 948 CG GLN A 60 -8.936 -6.692 11.926 1.00 3.24 C ATOM 949 CD GLN A 60 -8.251 -6.001 13.099 1.00 75.41 C ATOM 950 OE1 GLN A 60 -7.084 -5.438 12.861 1.00 34.21 O flip ATOM 951 NE2 GLN A 60 -8.756 -5.991 14.217 1.00 60.22 N flip ATOM 0 H GLN A 60 -7.683 -8.230 9.562 1.00 44.34 H new ATOM 0 HA GLN A 60 -10.274 -6.811 9.386 1.00 40.43 H new ATOM 0 HB2 GLN A 60 -7.570 -5.895 10.477 1.00 31.44 H new ATOM 0 HB3 GLN A 60 -9.081 -5.016 10.596 1.00 31.44 H new ATOM 0 HG2 GLN A 60 -10.012 -6.705 12.097 1.00 3.24 H new ATOM 0 HG3 GLN A 60 -8.608 -7.731 11.881 1.00 3.24 H new ATOM 0 HE21 GLN A 60 -9.661 -6.435 14.372 1.00 60.22 H new ATOM 0 HE22 GLN A 60 -8.271 -5.539 14.992 1.00 60.22 H new ATOM 960 N ARG A 61 -9.560 -5.113 7.596 1.00 65.01 N ATOM 961 CA ARG A 61 -9.132 -4.242 6.497 1.00 60.05 C ATOM 962 C ARG A 61 -8.296 -3.073 7.047 1.00 15.12 C ATOM 963 O ARG A 61 -8.833 -2.117 7.604 1.00 3.33 O ATOM 964 CB ARG A 61 -10.337 -3.712 5.691 1.00 1.40 C ATOM 965 CG ARG A 61 -11.145 -4.802 4.981 1.00 32.20 C ATOM 966 CD ARG A 61 -12.252 -5.379 5.862 1.00 64.43 C ATOM 967 NE ARG A 61 -13.363 -4.441 6.014 1.00 73.51 N ATOM 968 CZ ARG A 61 -13.938 -4.144 7.148 1.00 2.54 C ATOM 969 NH1 ARG A 61 -13.576 -4.718 8.249 1.00 51.11 N ATOM 970 NH2 ARG A 61 -14.905 -3.286 7.173 1.00 73.21 N ATOM 0 H ARG A 61 -10.510 -4.948 7.929 1.00 65.01 H new ATOM 0 HA ARG A 61 -8.517 -4.833 5.818 1.00 60.05 H new ATOM 0 HB2 ARG A 61 -10.998 -3.166 6.364 1.00 1.40 H new ATOM 0 HB3 ARG A 61 -9.978 -2.999 4.948 1.00 1.40 H new ATOM 0 HG2 ARG A 61 -11.586 -4.390 4.073 1.00 32.20 H new ATOM 0 HG3 ARG A 61 -10.474 -5.605 4.674 1.00 32.20 H new ATOM 0 HD2 ARG A 61 -12.617 -6.309 5.426 1.00 64.43 H new ATOM 0 HD3 ARG A 61 -11.846 -5.625 6.843 1.00 64.43 H new ATOM 0 HE ARG A 61 -13.715 -3.985 5.172 1.00 73.51 H new ATOM 0 HH11 ARG A 61 -12.831 -5.414 8.240 1.00 51.11 H new ATOM 0 HH12 ARG A 61 -14.036 -4.474 9.126 1.00 51.11 H new ATOM 0 HH21 ARG A 61 -15.217 -2.843 6.308 1.00 73.21 H new ATOM 0 HH22 ARG A 61 -15.356 -3.052 8.057 1.00 73.21 H new ATOM 984 N ARG A 62 -6.979 -3.163 6.885 1.00 2.35 N ATOM 985 CA ARG A 62 -6.053 -2.167 7.438 1.00 53.23 C ATOM 986 C ARG A 62 -5.727 -1.070 6.412 1.00 3.34 C ATOM 987 O ARG A 62 -5.490 -1.356 5.240 1.00 31.45 O ATOM 988 CB ARG A 62 -4.754 -2.850 7.901 1.00 24.12 C ATOM 989 CG ARG A 62 -4.961 -3.925 8.969 1.00 74.33 C ATOM 990 CD ARG A 62 -5.544 -3.347 10.255 1.00 11.44 C ATOM 991 NE ARG A 62 -4.640 -2.384 10.890 1.00 54.21 N ATOM 992 CZ ARG A 62 -5.030 -1.299 11.504 1.00 64.15 C ATOM 993 NH1 ARG A 62 -6.287 -1.013 11.618 1.00 41.43 N ATOM 994 NH2 ARG A 62 -4.154 -0.504 12.024 1.00 44.44 N ATOM 0 H ARG A 62 -6.523 -3.918 6.373 1.00 2.35 H new ATOM 0 HA ARG A 62 -6.542 -1.698 8.292 1.00 53.23 H new ATOM 0 HB2 ARG A 62 -4.265 -3.300 7.037 1.00 24.12 H new ATOM 0 HB3 ARG A 62 -4.076 -2.091 8.291 1.00 24.12 H new ATOM 0 HG2 ARG A 62 -5.628 -4.696 8.583 1.00 74.33 H new ATOM 0 HG3 ARG A 62 -4.008 -4.407 9.187 1.00 74.33 H new ATOM 0 HD2 ARG A 62 -6.494 -2.860 10.034 1.00 11.44 H new ATOM 0 HD3 ARG A 62 -5.756 -4.158 10.952 1.00 11.44 H new ATOM 0 HE ARG A 62 -3.639 -2.574 10.850 1.00 54.21 H new ATOM 0 HH11 ARG A 62 -6.990 -1.639 11.225 1.00 41.43 H new ATOM 0 HH12 ARG A 62 -6.575 -0.162 12.101 1.00 41.43 H new ATOM 0 HH21 ARG A 62 -3.161 -0.724 11.954 1.00 44.44 H new ATOM 0 HH22 ARG A 62 -4.456 0.344 12.504 1.00 44.44 H new ATOM 1008 N HIS A 63 -5.731 0.188 6.858 1.00 11.21 N ATOM 1009 CA HIS A 63 -5.396 1.321 5.985 1.00 11.32 C ATOM 1010 C HIS A 63 -4.182 2.098 6.525 1.00 75.25 C ATOM 1011 O HIS A 63 -4.232 2.662 7.617 1.00 5.04 O ATOM 1012 CB HIS A 63 -6.600 2.268 5.855 1.00 25.10 C ATOM 1013 CG HIS A 63 -7.849 1.588 5.383 1.00 40.22 C ATOM 1014 ND1 HIS A 63 -8.088 1.285 4.059 1.00 14.11 N ATOM 1015 CD2 HIS A 63 -8.938 1.153 6.062 1.00 33.50 C ATOM 1016 CE1 HIS A 63 -9.258 0.694 3.947 1.00 51.52 C ATOM 1017 NE2 HIS A 63 -9.797 0.601 5.143 1.00 21.21 N ATOM 0 H HIS A 63 -5.962 0.450 7.816 1.00 11.21 H new ATOM 0 HA HIS A 63 -5.142 0.922 5.003 1.00 11.32 H new ATOM 0 HB2 HIS A 63 -6.792 2.733 6.822 1.00 25.10 H new ATOM 0 HB3 HIS A 63 -6.348 3.070 5.161 1.00 25.10 H new ATOM 0 HD2 HIS A 63 -9.100 1.227 7.127 1.00 33.50 H new ATOM 0 HE1 HIS A 63 -9.702 0.344 3.027 1.00 51.52 H new ATOM 0 HE2 HIS A 63 -10.705 0.187 5.354 1.00 21.21 H new ATOM 1026 N PHE A 64 -3.100 2.127 5.756 1.00 1.02 N ATOM 1027 CA PHE A 64 -1.883 2.845 6.145 1.00 64.31 C ATOM 1028 C PHE A 64 -1.623 4.029 5.203 1.00 64.12 C ATOM 1029 O PHE A 64 -1.385 3.841 4.011 1.00 2.25 O ATOM 1030 CB PHE A 64 -0.672 1.899 6.126 1.00 43.55 C ATOM 1031 CG PHE A 64 -0.834 0.676 6.990 1.00 22.00 C ATOM 1032 CD1 PHE A 64 -0.663 0.751 8.366 1.00 32.21 C ATOM 1033 CD2 PHE A 64 -1.158 -0.550 6.427 1.00 55.41 C ATOM 1034 CE1 PHE A 64 -0.811 -0.371 9.157 1.00 23.01 C ATOM 1035 CE2 PHE A 64 -1.308 -1.674 7.215 1.00 45.23 C ATOM 1036 CZ PHE A 64 -1.134 -1.586 8.582 1.00 64.32 C ATOM 0 H PHE A 64 -3.037 1.659 4.852 1.00 1.02 H new ATOM 0 HA PHE A 64 -2.027 3.224 7.157 1.00 64.31 H new ATOM 0 HB2 PHE A 64 -0.487 1.583 5.099 1.00 43.55 H new ATOM 0 HB3 PHE A 64 0.210 2.449 6.454 1.00 43.55 H new ATOM 0 HD1 PHE A 64 -0.412 1.697 8.822 1.00 32.21 H new ATOM 0 HD2 PHE A 64 -1.295 -0.626 5.358 1.00 55.41 H new ATOM 0 HE1 PHE A 64 -0.674 -0.299 10.226 1.00 23.01 H new ATOM 0 HE2 PHE A 64 -1.561 -2.621 6.762 1.00 45.23 H new ATOM 0 HZ PHE A 64 -1.250 -2.464 9.200 1.00 64.32 H new ATOM 1046 N ILE A 65 -1.682 5.247 5.736 1.00 50.41 N ATOM 1047 CA ILE A 65 -1.388 6.447 4.944 1.00 71.12 C ATOM 1048 C ILE A 65 0.124 6.590 4.700 1.00 53.51 C ATOM 1049 O ILE A 65 0.930 6.335 5.593 1.00 24.02 O ATOM 1050 CB ILE A 65 -1.925 7.726 5.641 1.00 34.20 C ATOM 1051 CG1 ILE A 65 -3.460 7.661 5.755 1.00 11.13 C ATOM 1052 CG2 ILE A 65 -1.494 8.988 4.888 1.00 11.14 C ATOM 1053 CD1 ILE A 65 -4.083 8.863 6.432 1.00 41.43 C ATOM 0 H ILE A 65 -1.929 5.433 6.708 1.00 50.41 H new ATOM 0 HA ILE A 65 -1.893 6.332 3.985 1.00 71.12 H new ATOM 0 HB ILE A 65 -1.498 7.775 6.643 1.00 34.20 H new ATOM 0 HG12 ILE A 65 -3.883 7.561 4.756 1.00 11.13 H new ATOM 0 HG13 ILE A 65 -3.734 6.763 6.309 1.00 11.13 H new ATOM 0 HG21 ILE A 65 -1.885 9.868 5.399 1.00 11.14 H new ATOM 0 HG22 ILE A 65 -0.406 9.039 4.857 1.00 11.14 H new ATOM 0 HG23 ILE A 65 -1.885 8.956 3.871 1.00 11.14 H new ATOM 0 HD11 ILE A 65 -5.165 8.738 6.472 1.00 41.43 H new ATOM 0 HD12 ILE A 65 -3.691 8.954 7.445 1.00 41.43 H new ATOM 0 HD13 ILE A 65 -3.842 9.764 5.868 1.00 41.43 H new ATOM 1065 N ILE A 66 0.496 6.990 3.486 1.00 44.35 N ATOM 1066 CA ILE A 66 1.904 7.174 3.124 1.00 45.33 C ATOM 1067 C ILE A 66 2.375 8.604 3.442 1.00 60.34 C ATOM 1068 O ILE A 66 1.934 9.564 2.806 1.00 53.01 O ATOM 1069 CB ILE A 66 2.132 6.890 1.617 1.00 50.35 C ATOM 1070 CG1 ILE A 66 1.598 5.498 1.243 1.00 51.34 C ATOM 1071 CG2 ILE A 66 3.612 7.011 1.265 1.00 2.10 C ATOM 1072 CD1 ILE A 66 1.805 5.123 -0.213 1.00 62.03 C ATOM 0 H ILE A 66 -0.160 7.194 2.732 1.00 44.35 H new ATOM 0 HA ILE A 66 2.484 6.466 3.716 1.00 45.33 H new ATOM 0 HB ILE A 66 1.582 7.634 1.041 1.00 50.35 H new ATOM 0 HG12 ILE A 66 2.086 4.753 1.871 1.00 51.34 H new ATOM 0 HG13 ILE A 66 0.533 5.457 1.469 1.00 51.34 H new ATOM 0 HG21 ILE A 66 3.751 6.808 0.203 1.00 2.10 H new ATOM 0 HG22 ILE A 66 3.958 8.020 1.490 1.00 2.10 H new ATOM 0 HG23 ILE A 66 4.185 6.292 1.850 1.00 2.10 H new ATOM 0 HD11 ILE A 66 1.400 4.127 -0.393 1.00 62.03 H new ATOM 0 HD12 ILE A 66 1.293 5.844 -0.851 1.00 62.03 H new ATOM 0 HD13 ILE A 66 2.871 5.129 -0.442 1.00 62.03 H new ATOM 1084 N GLN A 67 3.269 8.740 4.421 1.00 51.42 N ATOM 1085 CA GLN A 67 3.794 10.058 4.803 1.00 75.24 C ATOM 1086 C GLN A 67 4.928 10.498 3.864 1.00 10.15 C ATOM 1087 O GLN A 67 5.904 9.768 3.663 1.00 14.35 O ATOM 1088 CB GLN A 67 4.305 10.049 6.259 1.00 11.34 C ATOM 1089 CG GLN A 67 3.241 9.712 7.304 1.00 32.43 C ATOM 1090 CD GLN A 67 2.827 8.249 7.282 1.00 74.22 C ATOM 1091 OE1 GLN A 67 3.620 7.373 6.958 1.00 34.44 O ATOM 1092 NE2 GLN A 67 1.588 7.970 7.624 1.00 1.41 N ATOM 0 H GLN A 67 3.645 7.962 4.963 1.00 51.42 H new ATOM 0 HA GLN A 67 2.973 10.770 4.719 1.00 75.24 H new ATOM 0 HB2 GLN A 67 5.117 9.327 6.341 1.00 11.34 H new ATOM 0 HB3 GLN A 67 4.724 11.028 6.489 1.00 11.34 H new ATOM 0 HG2 GLN A 67 3.621 9.961 8.295 1.00 32.43 H new ATOM 0 HG3 GLN A 67 2.363 10.335 7.134 1.00 32.43 H new ATOM 0 HE21 GLN A 67 0.951 8.721 7.889 1.00 1.41 H new ATOM 0 HE22 GLN A 67 1.264 7.003 7.624 1.00 1.41 H new ATOM 1101 N TYR A 68 4.797 11.692 3.292 1.00 54.44 N ATOM 1102 CA TYR A 68 5.827 12.242 2.409 1.00 21.43 C ATOM 1103 C TYR A 68 6.783 13.145 3.204 1.00 54.10 C ATOM 1104 O TYR A 68 6.508 14.328 3.428 1.00 30.15 O ATOM 1105 CB TYR A 68 5.161 13.016 1.258 1.00 62.35 C ATOM 1106 CG TYR A 68 6.127 13.537 0.206 1.00 51.15 C ATOM 1107 CD1 TYR A 68 6.822 12.662 -0.620 1.00 20.13 C ATOM 1108 CD2 TYR A 68 6.332 14.901 0.031 1.00 40.30 C ATOM 1109 CE1 TYR A 68 7.694 13.131 -1.585 1.00 45.41 C ATOM 1110 CE2 TYR A 68 7.202 15.377 -0.931 1.00 63.43 C ATOM 1111 CZ TYR A 68 7.880 14.489 -1.735 1.00 5.50 C ATOM 1112 OH TYR A 68 8.748 14.962 -2.695 1.00 4.11 O ATOM 0 H TYR A 68 3.988 12.299 3.423 1.00 54.44 H new ATOM 0 HA TYR A 68 6.413 11.427 1.984 1.00 21.43 H new ATOM 0 HB2 TYR A 68 4.432 12.366 0.774 1.00 62.35 H new ATOM 0 HB3 TYR A 68 4.609 13.858 1.675 1.00 62.35 H new ATOM 0 HD1 TYR A 68 6.679 11.598 -0.506 1.00 20.13 H new ATOM 0 HD2 TYR A 68 5.801 15.601 0.659 1.00 40.30 H new ATOM 0 HE1 TYR A 68 8.227 12.437 -2.218 1.00 45.41 H new ATOM 0 HE2 TYR A 68 7.349 16.440 -1.051 1.00 63.43 H new ATOM 0 HH TYR A 68 9.400 15.564 -2.279 1.00 4.11 H new ATOM 1122 N VAL A 69 7.909 12.573 3.630 1.00 31.11 N ATOM 1123 CA VAL A 69 8.882 13.281 4.476 1.00 4.21 C ATOM 1124 C VAL A 69 10.308 13.098 3.933 1.00 63.13 C ATOM 1125 O VAL A 69 10.655 12.024 3.433 1.00 13.13 O ATOM 1126 CB VAL A 69 8.820 12.786 5.947 1.00 53.42 C ATOM 1127 CG1 VAL A 69 9.811 13.546 6.828 1.00 61.24 C ATOM 1128 CG2 VAL A 69 7.400 12.907 6.506 1.00 12.30 C ATOM 0 H VAL A 69 8.175 11.615 3.404 1.00 31.11 H new ATOM 0 HA VAL A 69 8.621 14.339 4.455 1.00 4.21 H new ATOM 0 HB VAL A 69 9.101 11.733 5.953 1.00 53.42 H new ATOM 0 HG11 VAL A 69 9.745 13.178 7.852 1.00 61.24 H new ATOM 0 HG12 VAL A 69 10.823 13.394 6.452 1.00 61.24 H new ATOM 0 HG13 VAL A 69 9.573 14.610 6.809 1.00 61.24 H new ATOM 0 HG21 VAL A 69 7.384 12.554 7.537 1.00 12.30 H new ATOM 0 HG22 VAL A 69 7.084 13.950 6.474 1.00 12.30 H new ATOM 0 HG23 VAL A 69 6.720 12.303 5.905 1.00 12.30 H new ATOM 1138 N ASP A 70 11.124 14.150 4.034 1.00 42.41 N ATOM 1139 CA ASP A 70 12.466 14.168 3.432 1.00 63.50 C ATOM 1140 C ASP A 70 12.390 13.908 1.917 1.00 32.42 C ATOM 1141 O ASP A 70 13.339 13.407 1.309 1.00 20.02 O ATOM 1142 CB ASP A 70 13.383 13.134 4.104 1.00 15.33 C ATOM 1143 CG ASP A 70 13.615 13.427 5.574 1.00 13.13 C ATOM 1144 OD1 ASP A 70 14.198 14.489 5.889 1.00 1.44 O ATOM 1145 OD2 ASP A 70 13.250 12.589 6.423 1.00 54.13 O ATOM 0 H ASP A 70 10.880 15.007 4.530 1.00 42.41 H new ATOM 0 HA ASP A 70 12.890 15.159 3.592 1.00 63.50 H new ATOM 0 HB2 ASP A 70 12.943 12.142 4.000 1.00 15.33 H new ATOM 0 HB3 ASP A 70 14.342 13.113 3.586 1.00 15.33 H new ATOM 1150 N ASN A 71 11.250 14.275 1.322 1.00 13.22 N ATOM 1151 CA ASN A 71 10.974 14.009 -0.094 1.00 30.40 C ATOM 1152 C ASN A 71 10.999 12.502 -0.404 1.00 33.52 C ATOM 1153 O ASN A 71 11.302 12.086 -1.526 1.00 10.42 O ATOM 1154 CB ASN A 71 11.953 14.773 -0.995 1.00 63.13 C ATOM 1155 CG ASN A 71 11.745 16.275 -0.909 1.00 43.11 C ATOM 1156 OD1 ASN A 71 10.937 16.844 -1.636 1.00 75.41 O ATOM 1157 ND2 ASN A 71 12.466 16.930 -0.023 1.00 1.43 N ATOM 0 H ASN A 71 10.496 14.763 1.806 1.00 13.22 H new ATOM 0 HA ASN A 71 9.967 14.368 -0.305 1.00 30.40 H new ATOM 0 HB2 ASN A 71 12.976 14.531 -0.707 1.00 63.13 H new ATOM 0 HB3 ASN A 71 11.827 14.447 -2.027 1.00 63.13 H new ATOM 0 HD21 ASN A 71 12.361 17.940 0.074 1.00 1.43 H new ATOM 0 HD22 ASN A 71 13.129 16.427 0.567 1.00 1.43 H new ATOM 1164 N MET A 72 10.656 11.694 0.599 1.00 24.32 N ATOM 1165 CA MET A 72 10.564 10.238 0.443 1.00 51.24 C ATOM 1166 C MET A 72 9.250 9.701 1.039 1.00 53.24 C ATOM 1167 O MET A 72 8.799 10.156 2.094 1.00 61.11 O ATOM 1168 CB MET A 72 11.760 9.547 1.116 1.00 44.31 C ATOM 1169 CG MET A 72 13.107 9.890 0.490 1.00 2.23 C ATOM 1170 SD MET A 72 14.474 8.992 1.253 1.00 62.44 S ATOM 1171 CE MET A 72 15.858 9.588 0.283 1.00 62.03 C ATOM 0 H MET A 72 10.435 12.025 1.538 1.00 24.32 H new ATOM 0 HA MET A 72 10.578 10.016 -0.624 1.00 51.24 H new ATOM 0 HB2 MET A 72 11.780 9.823 2.170 1.00 44.31 H new ATOM 0 HB3 MET A 72 11.615 8.468 1.072 1.00 44.31 H new ATOM 0 HG2 MET A 72 13.077 9.662 -0.576 1.00 2.23 H new ATOM 0 HG3 MET A 72 13.284 10.962 0.582 1.00 2.23 H new ATOM 0 HE1 MET A 72 16.778 9.122 0.637 1.00 62.03 H new ATOM 0 HE2 MET A 72 15.703 9.335 -0.766 1.00 62.03 H new ATOM 0 HE3 MET A 72 15.936 10.670 0.387 1.00 62.03 H new ATOM 1181 N TYR A 73 8.646 8.733 0.357 1.00 50.42 N ATOM 1182 CA TYR A 73 7.390 8.117 0.805 1.00 62.14 C ATOM 1183 C TYR A 73 7.659 7.001 1.831 1.00 13.31 C ATOM 1184 O TYR A 73 8.348 6.026 1.528 1.00 54.51 O ATOM 1185 CB TYR A 73 6.640 7.552 -0.405 1.00 73.22 C ATOM 1186 CG TYR A 73 6.323 8.590 -1.467 1.00 24.12 C ATOM 1187 CD1 TYR A 73 5.147 9.333 -1.417 1.00 41.03 C ATOM 1188 CD2 TYR A 73 7.202 8.822 -2.523 1.00 55.34 C ATOM 1189 CE1 TYR A 73 4.857 10.274 -2.387 1.00 30.43 C ATOM 1190 CE2 TYR A 73 6.915 9.760 -3.495 1.00 64.43 C ATOM 1191 CZ TYR A 73 5.743 10.484 -3.424 1.00 55.52 C ATOM 1192 OH TYR A 73 5.455 11.412 -4.401 1.00 0.02 O ATOM 0 H TYR A 73 9.006 8.351 -0.518 1.00 50.42 H new ATOM 0 HA TYR A 73 6.780 8.879 1.289 1.00 62.14 H new ATOM 0 HB2 TYR A 73 7.237 6.758 -0.853 1.00 73.22 H new ATOM 0 HB3 TYR A 73 5.709 7.098 -0.065 1.00 73.22 H new ATOM 0 HD1 TYR A 73 4.450 9.172 -0.608 1.00 41.03 H new ATOM 0 HD2 TYR A 73 8.122 8.259 -2.582 1.00 55.34 H new ATOM 0 HE1 TYR A 73 3.940 10.843 -2.334 1.00 30.43 H new ATOM 0 HE2 TYR A 73 7.606 9.926 -4.308 1.00 64.43 H new ATOM 0 HH TYR A 73 6.184 11.435 -5.055 1.00 0.02 H new ATOM 1202 N ARG A 74 7.102 7.135 3.036 1.00 61.34 N ATOM 1203 CA ARG A 74 7.439 6.224 4.141 1.00 13.10 C ATOM 1204 C ARG A 74 6.208 5.738 4.926 1.00 32.42 C ATOM 1205 O ARG A 74 5.091 6.209 4.722 1.00 72.32 O ATOM 1206 CB ARG A 74 8.402 6.934 5.103 1.00 71.12 C ATOM 1207 CG ARG A 74 7.788 8.146 5.795 1.00 0.15 C ATOM 1208 CD ARG A 74 8.817 8.909 6.621 1.00 72.14 C ATOM 1209 NE ARG A 74 9.866 9.489 5.785 1.00 51.20 N ATOM 1210 CZ ARG A 74 10.950 10.045 6.253 1.00 23.13 C ATOM 1211 NH1 ARG A 74 11.172 10.107 7.529 1.00 34.13 N ATOM 1212 NH2 ARG A 74 11.808 10.554 5.438 1.00 42.02 N ATOM 0 H ARG A 74 6.422 7.857 3.274 1.00 61.34 H new ATOM 0 HA ARG A 74 7.901 5.342 3.697 1.00 13.10 H new ATOM 0 HB2 ARG A 74 8.736 6.224 5.860 1.00 71.12 H new ATOM 0 HB3 ARG A 74 9.287 7.251 4.551 1.00 71.12 H new ATOM 0 HG2 ARG A 74 7.357 8.811 5.047 1.00 0.15 H new ATOM 0 HG3 ARG A 74 6.972 7.821 6.441 1.00 0.15 H new ATOM 0 HD2 ARG A 74 8.319 9.701 7.180 1.00 72.14 H new ATOM 0 HD3 ARG A 74 9.266 8.237 7.352 1.00 72.14 H new ATOM 0 HE ARG A 74 9.743 9.457 4.773 1.00 51.20 H new ATOM 0 HH11 ARG A 74 10.494 9.718 8.184 1.00 34.13 H new ATOM 0 HH12 ARG A 74 12.025 10.545 7.878 1.00 34.13 H new ATOM 0 HH21 ARG A 74 11.638 10.521 4.433 1.00 42.02 H new ATOM 0 HH22 ARG A 74 12.657 10.990 5.798 1.00 42.02 H new ATOM 1226 N PHE A 75 6.454 4.781 5.829 1.00 43.50 N ATOM 1227 CA PHE A 75 5.446 4.309 6.793 1.00 33.03 C ATOM 1228 C PHE A 75 6.035 4.295 8.219 1.00 73.31 C ATOM 1229 O PHE A 75 5.789 5.197 9.021 1.00 64.52 O ATOM 1230 CB PHE A 75 4.954 2.896 6.440 1.00 74.41 C ATOM 1231 CG PHE A 75 4.166 2.790 5.159 1.00 72.10 C ATOM 1232 CD1 PHE A 75 2.859 3.257 5.092 1.00 64.04 C ATOM 1233 CD2 PHE A 75 4.718 2.198 4.032 1.00 3.14 C ATOM 1234 CE1 PHE A 75 2.125 3.138 3.928 1.00 4.32 C ATOM 1235 CE2 PHE A 75 3.988 2.081 2.864 1.00 62.22 C ATOM 1236 CZ PHE A 75 2.688 2.551 2.813 1.00 35.34 C ATOM 0 H PHE A 75 7.355 4.311 5.914 1.00 43.50 H new ATOM 0 HA PHE A 75 4.602 4.997 6.748 1.00 33.03 H new ATOM 0 HB2 PHE A 75 5.818 2.235 6.372 1.00 74.41 H new ATOM 0 HB3 PHE A 75 4.336 2.529 7.259 1.00 74.41 H new ATOM 0 HD1 PHE A 75 2.412 3.718 5.960 1.00 64.04 H new ATOM 0 HD2 PHE A 75 5.731 1.824 4.068 1.00 3.14 H new ATOM 0 HE1 PHE A 75 1.110 3.505 3.890 1.00 4.32 H new ATOM 0 HE2 PHE A 75 4.432 1.623 1.992 1.00 62.22 H new ATOM 0 HZ PHE A 75 2.115 2.459 1.902 1.00 35.34 H new ATOM 1246 N GLU A 76 6.833 3.267 8.515 1.00 74.53 N ATOM 1247 CA GLU A 76 7.494 3.128 9.822 1.00 11.11 C ATOM 1248 C GLU A 76 8.813 3.922 9.845 1.00 14.03 C ATOM 1249 O GLU A 76 9.876 3.387 10.166 1.00 50.54 O ATOM 1250 CB GLU A 76 7.763 1.635 10.099 1.00 10.33 C ATOM 1251 CG GLU A 76 8.310 1.329 11.495 1.00 1.32 C ATOM 1252 CD GLU A 76 7.278 1.514 12.594 1.00 64.43 C ATOM 1253 OE1 GLU A 76 7.058 2.665 13.031 1.00 20.05 O ATOM 1254 OE2 GLU A 76 6.683 0.503 13.023 1.00 63.55 O ATOM 0 H GLU A 76 7.041 2.510 7.863 1.00 74.53 H new ATOM 0 HA GLU A 76 6.843 3.529 10.599 1.00 11.11 H new ATOM 0 HB2 GLU A 76 6.835 1.081 9.959 1.00 10.33 H new ATOM 0 HB3 GLU A 76 8.471 1.264 9.358 1.00 10.33 H new ATOM 0 HG2 GLU A 76 8.676 0.303 11.518 1.00 1.32 H new ATOM 0 HG3 GLU A 76 9.164 1.977 11.694 1.00 1.32 H new ATOM 1261 N GLY A 77 8.746 5.204 9.489 1.00 65.44 N ATOM 1262 CA GLY A 77 9.955 6.014 9.374 1.00 44.45 C ATOM 1263 C GLY A 77 10.756 5.693 8.111 1.00 12.53 C ATOM 1264 O GLY A 77 11.046 6.580 7.303 1.00 64.25 O ATOM 0 H GLY A 77 7.879 5.698 9.278 1.00 65.44 H new ATOM 0 HA2 GLY A 77 9.683 7.069 9.369 1.00 44.45 H new ATOM 0 HA3 GLY A 77 10.583 5.851 10.250 1.00 44.45 H new ATOM 1268 N THR A 78 11.118 4.420 7.948 1.00 12.40 N ATOM 1269 CA THR A 78 11.795 3.941 6.737 1.00 14.44 C ATOM 1270 C THR A 78 10.918 4.139 5.492 1.00 23.30 C ATOM 1271 O THR A 78 9.773 3.684 5.447 1.00 63.13 O ATOM 1272 CB THR A 78 12.152 2.436 6.852 1.00 71.22 C ATOM 1273 OG1 THR A 78 12.926 2.191 8.038 1.00 55.33 O ATOM 1274 CG2 THR A 78 12.933 1.953 5.633 1.00 5.43 C ATOM 0 H THR A 78 10.953 3.694 8.645 1.00 12.40 H new ATOM 0 HA THR A 78 12.708 4.527 6.636 1.00 14.44 H new ATOM 0 HB THR A 78 11.214 1.883 6.907 1.00 71.22 H new ATOM 0 HG1 THR A 78 13.142 1.237 8.097 1.00 55.33 H new ATOM 0 HG21 THR A 78 13.167 0.894 5.747 1.00 5.43 H new ATOM 0 HG22 THR A 78 12.332 2.098 4.735 1.00 5.43 H new ATOM 0 HG23 THR A 78 13.859 2.522 5.545 1.00 5.43 H new ATOM 1282 N GLY A 79 11.457 4.817 4.484 1.00 53.04 N ATOM 1283 CA GLY A 79 10.711 5.055 3.254 1.00 43.44 C ATOM 1284 C GLY A 79 11.587 5.065 2.011 1.00 44.23 C ATOM 1285 O GLY A 79 12.811 4.967 2.103 1.00 31.23 O ATOM 0 H GLY A 79 12.399 5.208 4.494 1.00 53.04 H new ATOM 0 HA2 GLY A 79 9.947 4.285 3.146 1.00 43.44 H new ATOM 0 HA3 GLY A 79 10.191 6.010 3.331 1.00 43.44 H new ATOM 1289 N PHE A 80 10.957 5.180 0.847 1.00 22.42 N ATOM 1290 CA PHE A 80 11.671 5.188 -0.433 1.00 54.14 C ATOM 1291 C PHE A 80 11.372 6.459 -1.237 1.00 75.33 C ATOM 1292 O PHE A 80 10.324 7.087 -1.072 1.00 63.22 O ATOM 1293 CB PHE A 80 11.305 3.942 -1.252 1.00 5.41 C ATOM 1294 CG PHE A 80 11.855 2.661 -0.673 1.00 73.55 C ATOM 1295 CD1 PHE A 80 11.226 2.033 0.393 1.00 25.14 C ATOM 1296 CD2 PHE A 80 13.004 2.087 -1.197 1.00 65.11 C ATOM 1297 CE1 PHE A 80 11.728 0.862 0.924 1.00 61.11 C ATOM 1298 CE2 PHE A 80 13.511 0.916 -0.669 1.00 74.43 C ATOM 1299 CZ PHE A 80 12.873 0.303 0.393 1.00 45.03 C ATOM 0 H PHE A 80 9.945 5.270 0.760 1.00 22.42 H new ATOM 0 HA PHE A 80 12.740 5.174 -0.219 1.00 54.14 H new ATOM 0 HB2 PHE A 80 10.220 3.866 -1.318 1.00 5.41 H new ATOM 0 HB3 PHE A 80 11.678 4.062 -2.269 1.00 5.41 H new ATOM 0 HD1 PHE A 80 10.331 2.467 0.813 1.00 25.14 H new ATOM 0 HD2 PHE A 80 13.507 2.561 -2.027 1.00 65.11 H new ATOM 0 HE1 PHE A 80 11.226 0.384 1.753 1.00 61.11 H new ATOM 0 HE2 PHE A 80 14.406 0.479 -1.086 1.00 74.43 H new ATOM 0 HZ PHE A 80 13.270 -0.612 0.807 1.00 45.03 H new ATOM 1309 N SER A 81 12.304 6.825 -2.107 1.00 42.01 N ATOM 1310 CA SER A 81 12.179 8.025 -2.947 1.00 10.12 C ATOM 1311 C SER A 81 10.910 8.002 -3.816 1.00 2.14 C ATOM 1312 O SER A 81 10.273 9.033 -4.030 1.00 50.15 O ATOM 1313 CB SER A 81 13.410 8.153 -3.851 1.00 30.03 C ATOM 1314 OG SER A 81 13.587 6.988 -4.648 1.00 3.22 O ATOM 0 H SER A 81 13.169 6.305 -2.256 1.00 42.01 H new ATOM 0 HA SER A 81 12.106 8.882 -2.278 1.00 10.12 H new ATOM 0 HB2 SER A 81 13.302 9.025 -4.496 1.00 30.03 H new ATOM 0 HB3 SER A 81 14.298 8.317 -3.240 1.00 30.03 H new ATOM 0 HG SER A 81 13.034 7.056 -5.454 1.00 3.22 H new ATOM 1320 N ASN A 82 10.546 6.819 -4.307 1.00 24.41 N ATOM 1321 CA ASN A 82 9.409 6.669 -5.226 1.00 65.11 C ATOM 1322 C ASN A 82 8.331 5.726 -4.667 1.00 71.55 C ATOM 1323 O ASN A 82 8.647 4.700 -4.061 1.00 40.40 O ATOM 1324 CB ASN A 82 9.904 6.133 -6.573 1.00 1.40 C ATOM 1325 CG ASN A 82 10.841 7.099 -7.266 1.00 15.34 C ATOM 1326 OD1 ASN A 82 12.112 7.035 -6.933 1.00 50.34 O flip ATOM 1327 ND2 ASN A 82 10.424 7.908 -8.087 1.00 2.43 N flip ATOM 0 H ASN A 82 11.021 5.944 -4.085 1.00 24.41 H new ATOM 0 HA ASN A 82 8.957 7.653 -5.351 1.00 65.11 H new ATOM 0 HB2 ASN A 82 10.415 5.183 -6.418 1.00 1.40 H new ATOM 0 HB3 ASN A 82 9.049 5.933 -7.219 1.00 1.40 H new ATOM 0 HD21 ASN A 82 9.432 7.931 -8.322 1.00 2.43 H new ATOM 0 HD22 ASN A 82 11.069 8.559 -8.535 1.00 2.43 H new ATOM 1334 N ILE A 83 7.060 6.069 -4.904 1.00 31.51 N ATOM 1335 CA ILE A 83 5.928 5.216 -4.497 1.00 22.53 C ATOM 1336 C ILE A 83 6.059 3.784 -5.058 1.00 2.24 C ATOM 1337 O ILE A 83 5.962 2.812 -4.303 1.00 14.34 O ATOM 1338 CB ILE A 83 4.561 5.812 -4.938 1.00 33.23 C ATOM 1339 CG1 ILE A 83 4.369 7.213 -4.345 1.00 42.33 C ATOM 1340 CG2 ILE A 83 3.405 4.891 -4.532 1.00 52.50 C ATOM 1341 CD1 ILE A 83 3.095 7.898 -4.791 1.00 71.42 C ATOM 0 H ILE A 83 6.785 6.931 -5.375 1.00 31.51 H new ATOM 0 HA ILE A 83 5.959 5.176 -3.408 1.00 22.53 H new ATOM 0 HB ILE A 83 4.561 5.894 -6.025 1.00 33.23 H new ATOM 0 HG12 ILE A 83 4.369 7.140 -3.257 1.00 42.33 H new ATOM 0 HG13 ILE A 83 5.220 7.834 -4.623 1.00 42.33 H new ATOM 0 HG21 ILE A 83 2.460 5.330 -4.852 1.00 52.50 H new ATOM 0 HG22 ILE A 83 3.531 3.918 -5.006 1.00 52.50 H new ATOM 0 HG23 ILE A 83 3.400 4.769 -3.449 1.00 52.50 H new ATOM 0 HD11 ILE A 83 3.031 8.883 -4.330 1.00 71.42 H new ATOM 0 HD12 ILE A 83 3.100 8.005 -5.876 1.00 71.42 H new ATOM 0 HD13 ILE A 83 2.235 7.300 -4.489 1.00 71.42 H new ATOM 1353 N PRO A 84 6.285 3.616 -6.390 1.00 21.52 N ATOM 1354 CA PRO A 84 6.469 2.283 -6.989 1.00 51.23 C ATOM 1355 C PRO A 84 7.577 1.471 -6.300 1.00 51.53 C ATOM 1356 O PRO A 84 7.430 0.275 -6.089 1.00 52.30 O ATOM 1357 CB PRO A 84 6.836 2.580 -8.458 1.00 63.43 C ATOM 1358 CG PRO A 84 7.184 4.032 -8.494 1.00 44.32 C ATOM 1359 CD PRO A 84 6.362 4.677 -7.414 1.00 70.01 C ATOM 0 HA PRO A 84 5.573 1.671 -6.885 1.00 51.23 H new ATOM 0 HB2 PRO A 84 7.676 1.967 -8.785 1.00 63.43 H new ATOM 0 HB3 PRO A 84 6.002 2.359 -9.124 1.00 63.43 H new ATOM 0 HG2 PRO A 84 8.249 4.183 -8.318 1.00 44.32 H new ATOM 0 HG3 PRO A 84 6.958 4.464 -9.469 1.00 44.32 H new ATOM 0 HD2 PRO A 84 6.836 5.579 -7.028 1.00 70.01 H new ATOM 0 HD3 PRO A 84 5.374 4.965 -7.774 1.00 70.01 H new ATOM 1367 N GLN A 85 8.677 2.133 -5.936 1.00 42.53 N ATOM 1368 CA GLN A 85 9.808 1.457 -5.282 1.00 43.42 C ATOM 1369 C GLN A 85 9.502 1.093 -3.821 1.00 21.32 C ATOM 1370 O GLN A 85 9.966 0.070 -3.319 1.00 74.32 O ATOM 1371 CB GLN A 85 11.069 2.330 -5.369 1.00 43.34 C ATOM 1372 CG GLN A 85 11.665 2.382 -6.772 1.00 4.24 C ATOM 1373 CD GLN A 85 12.148 1.016 -7.237 1.00 72.33 C ATOM 1374 OE1 GLN A 85 11.266 0.242 -7.837 1.00 32.33 O flip ATOM 1375 NE2 GLN A 85 13.301 0.652 -7.046 1.00 74.00 N flip ATOM 0 H GLN A 85 8.812 3.134 -6.081 1.00 42.53 H new ATOM 0 HA GLN A 85 9.982 0.522 -5.814 1.00 43.42 H new ATOM 0 HB2 GLN A 85 10.826 3.342 -5.046 1.00 43.34 H new ATOM 0 HB3 GLN A 85 11.818 1.946 -4.676 1.00 43.34 H new ATOM 0 HG2 GLN A 85 10.917 2.759 -7.470 1.00 4.24 H new ATOM 0 HG3 GLN A 85 12.498 3.085 -6.786 1.00 4.24 H new ATOM 0 HE21 GLN A 85 13.961 1.273 -6.579 1.00 74.00 H new ATOM 0 HE22 GLN A 85 13.602 -0.273 -7.354 1.00 74.00 H new ATOM 1384 N LEU A 86 8.733 1.935 -3.143 1.00 64.54 N ATOM 1385 CA LEU A 86 8.270 1.639 -1.784 1.00 53.12 C ATOM 1386 C LEU A 86 7.544 0.279 -1.735 1.00 53.30 C ATOM 1387 O LEU A 86 7.918 -0.625 -0.968 1.00 75.12 O ATOM 1388 CB LEU A 86 7.338 2.766 -1.309 1.00 54.13 C ATOM 1389 CG LEU A 86 6.732 2.604 0.097 1.00 52.24 C ATOM 1390 CD1 LEU A 86 7.823 2.552 1.164 1.00 14.30 C ATOM 1391 CD2 LEU A 86 5.744 3.735 0.388 1.00 11.54 C ATOM 0 H LEU A 86 8.413 2.832 -3.509 1.00 64.54 H new ATOM 0 HA LEU A 86 9.132 1.579 -1.120 1.00 53.12 H new ATOM 0 HB2 LEU A 86 7.894 3.703 -1.336 1.00 54.13 H new ATOM 0 HB3 LEU A 86 6.521 2.859 -2.025 1.00 54.13 H new ATOM 0 HG LEU A 86 6.192 1.657 0.125 1.00 52.24 H new ATOM 0 HD11 LEU A 86 7.366 2.437 2.147 1.00 14.30 H new ATOM 0 HD12 LEU A 86 8.482 1.706 0.969 1.00 14.30 H new ATOM 0 HD13 LEU A 86 8.401 3.476 1.139 1.00 14.30 H new ATOM 0 HD21 LEU A 86 5.325 3.605 1.386 1.00 11.54 H new ATOM 0 HD22 LEU A 86 6.261 4.693 0.334 1.00 11.54 H new ATOM 0 HD23 LEU A 86 4.940 3.715 -0.348 1.00 11.54 H new ATOM 1403 N ILE A 87 6.522 0.138 -2.581 1.00 11.51 N ATOM 1404 CA ILE A 87 5.740 -1.098 -2.669 1.00 61.32 C ATOM 1405 C ILE A 87 6.551 -2.242 -3.308 1.00 20.43 C ATOM 1406 O ILE A 87 6.609 -3.339 -2.764 1.00 71.22 O ATOM 1407 CB ILE A 87 4.434 -0.876 -3.474 1.00 31.32 C ATOM 1408 CG1 ILE A 87 3.595 0.246 -2.835 1.00 25.21 C ATOM 1409 CG2 ILE A 87 3.624 -2.171 -3.572 1.00 60.15 C ATOM 1410 CD1 ILE A 87 3.168 -0.034 -1.408 1.00 51.52 C ATOM 0 H ILE A 87 6.214 0.871 -3.220 1.00 11.51 H new ATOM 0 HA ILE A 87 5.486 -1.383 -1.648 1.00 61.32 H new ATOM 0 HB ILE A 87 4.703 -0.573 -4.486 1.00 31.32 H new ATOM 0 HG12 ILE A 87 4.171 1.171 -2.855 1.00 25.21 H new ATOM 0 HG13 ILE A 87 2.705 0.411 -3.443 1.00 25.21 H new ATOM 0 HG21 ILE A 87 2.713 -1.988 -4.141 1.00 60.15 H new ATOM 0 HG22 ILE A 87 4.218 -2.935 -4.074 1.00 60.15 H new ATOM 0 HG23 ILE A 87 3.363 -2.514 -2.571 1.00 60.15 H new ATOM 0 HD11 ILE A 87 2.582 0.805 -1.032 1.00 51.52 H new ATOM 0 HD12 ILE A 87 2.563 -0.941 -1.380 1.00 51.52 H new ATOM 0 HD13 ILE A 87 4.051 -0.168 -0.784 1.00 51.52 H new ATOM 1422 N ASP A 88 7.182 -1.969 -4.453 1.00 61.12 N ATOM 1423 CA ASP A 88 7.994 -2.972 -5.164 1.00 21.11 C ATOM 1424 C ASP A 88 9.060 -3.602 -4.253 1.00 31.11 C ATOM 1425 O ASP A 88 9.145 -4.827 -4.130 1.00 73.43 O ATOM 1426 CB ASP A 88 8.666 -2.335 -6.393 1.00 63.01 C ATOM 1427 CG ASP A 88 9.689 -3.247 -7.052 1.00 75.50 C ATOM 1428 OD1 ASP A 88 9.292 -4.304 -7.583 1.00 31.45 O ATOM 1429 OD2 ASP A 88 10.899 -2.915 -7.028 1.00 55.41 O ATOM 0 H ASP A 88 7.149 -1.059 -4.913 1.00 61.12 H new ATOM 0 HA ASP A 88 7.321 -3.767 -5.485 1.00 21.11 H new ATOM 0 HB2 ASP A 88 7.900 -2.071 -7.122 1.00 63.01 H new ATOM 0 HB3 ASP A 88 9.154 -1.408 -6.093 1.00 63.01 H new ATOM 1434 N HIS A 89 9.868 -2.764 -3.609 1.00 42.43 N ATOM 1435 CA HIS A 89 10.957 -3.252 -2.763 1.00 24.01 C ATOM 1436 C HIS A 89 10.416 -4.055 -1.568 1.00 3.53 C ATOM 1437 O HIS A 89 11.004 -5.059 -1.176 1.00 20.21 O ATOM 1438 CB HIS A 89 11.831 -2.086 -2.280 1.00 3.21 C ATOM 1439 CG HIS A 89 13.239 -2.490 -1.968 1.00 32.30 C ATOM 1440 ND1 HIS A 89 13.720 -2.666 -0.689 1.00 60.03 N ATOM 1441 CD2 HIS A 89 14.279 -2.756 -2.794 1.00 73.43 C ATOM 1442 CE1 HIS A 89 14.989 -3.020 -0.744 1.00 2.45 C ATOM 1443 NE2 HIS A 89 15.349 -3.083 -2.007 1.00 11.41 N ATOM 0 H HIS A 89 9.791 -1.748 -3.655 1.00 42.43 H new ATOM 0 HA HIS A 89 11.574 -3.920 -3.364 1.00 24.01 H new ATOM 0 HB2 HIS A 89 11.844 -1.310 -3.045 1.00 3.21 H new ATOM 0 HB3 HIS A 89 11.380 -1.648 -1.389 1.00 3.21 H new ATOM 0 HD2 HIS A 89 14.266 -2.717 -3.873 1.00 73.43 H new ATOM 0 HE1 HIS A 89 15.625 -3.224 0.105 1.00 2.45 H new ATOM 0 HE2 HIS A 89 16.277 -3.335 -2.346 1.00 11.41 H new ATOM 1452 N HIS A 90 9.291 -3.609 -0.991 1.00 1.32 N ATOM 1453 CA HIS A 90 8.623 -4.364 0.087 1.00 65.14 C ATOM 1454 C HIS A 90 8.039 -5.695 -0.420 1.00 72.13 C ATOM 1455 O HIS A 90 8.160 -6.726 0.240 1.00 54.14 O ATOM 1456 CB HIS A 90 7.509 -3.522 0.733 1.00 62.33 C ATOM 1457 CG HIS A 90 7.971 -2.696 1.891 1.00 33.14 C ATOM 1458 ND1 HIS A 90 8.275 -1.354 1.799 1.00 60.34 N ATOM 1459 CD2 HIS A 90 8.163 -3.034 3.187 1.00 73.25 C ATOM 1460 CE1 HIS A 90 8.634 -0.906 2.987 1.00 73.53 C ATOM 1461 NE2 HIS A 90 8.573 -1.905 3.845 1.00 11.32 N ATOM 0 H HIS A 90 8.826 -2.738 -1.247 1.00 1.32 H new ATOM 0 HA HIS A 90 9.383 -4.591 0.834 1.00 65.14 H new ATOM 0 HB2 HIS A 90 7.080 -2.864 -0.022 1.00 62.33 H new ATOM 0 HB3 HIS A 90 6.712 -4.186 1.067 1.00 62.33 H new ATOM 0 HD1 HIS A 90 8.229 -0.796 0.947 1.00 60.34 H new ATOM 0 HD2 HIS A 90 8.020 -4.012 3.622 1.00 73.25 H new ATOM 0 HE1 HIS A 90 8.928 0.107 3.217 1.00 73.53 H new ATOM 1470 N TYR A 91 7.412 -5.659 -1.593 1.00 51.00 N ATOM 1471 CA TYR A 91 6.743 -6.833 -2.165 1.00 34.42 C ATOM 1472 C TYR A 91 7.753 -7.917 -2.572 1.00 53.34 C ATOM 1473 O TYR A 91 7.593 -9.088 -2.226 1.00 23.44 O ATOM 1474 CB TYR A 91 5.899 -6.408 -3.377 1.00 15.12 C ATOM 1475 CG TYR A 91 5.068 -7.526 -3.979 1.00 23.23 C ATOM 1476 CD1 TYR A 91 3.885 -7.932 -3.377 1.00 13.42 C ATOM 1477 CD2 TYR A 91 5.462 -8.168 -5.151 1.00 23.33 C ATOM 1478 CE1 TYR A 91 3.120 -8.944 -3.917 1.00 42.13 C ATOM 1479 CE2 TYR A 91 4.699 -9.184 -5.698 1.00 2.33 C ATOM 1480 CZ TYR A 91 3.531 -9.568 -5.075 1.00 3.44 C ATOM 1481 OH TYR A 91 2.762 -10.575 -5.612 1.00 22.43 O ATOM 0 H TYR A 91 7.351 -4.823 -2.174 1.00 51.00 H new ATOM 0 HA TYR A 91 6.094 -7.260 -1.401 1.00 34.42 H new ATOM 0 HB2 TYR A 91 5.235 -5.598 -3.077 1.00 15.12 H new ATOM 0 HB3 TYR A 91 6.562 -6.009 -4.145 1.00 15.12 H new ATOM 0 HD1 TYR A 91 3.558 -7.447 -2.469 1.00 13.42 H new ATOM 0 HD2 TYR A 91 6.377 -7.868 -5.640 1.00 23.33 H new ATOM 0 HE1 TYR A 91 2.202 -9.246 -3.434 1.00 42.13 H new ATOM 0 HE2 TYR A 91 5.016 -9.673 -6.607 1.00 2.33 H new ATOM 0 HH TYR A 91 3.187 -10.912 -6.428 1.00 22.43 H new ATOM 1491 N THR A 92 8.790 -7.519 -3.305 1.00 60.21 N ATOM 1492 CA THR A 92 9.828 -8.456 -3.763 1.00 20.01 C ATOM 1493 C THR A 92 10.588 -9.088 -2.588 1.00 71.54 C ATOM 1494 O THR A 92 10.749 -10.309 -2.531 1.00 54.40 O ATOM 1495 CB THR A 92 10.836 -7.777 -4.722 1.00 63.31 C ATOM 1496 OG1 THR A 92 11.367 -6.582 -4.125 1.00 63.45 O ATOM 1497 CG2 THR A 92 10.175 -7.428 -6.052 1.00 4.25 C ATOM 0 H THR A 92 8.939 -6.553 -3.598 1.00 60.21 H new ATOM 0 HA THR A 92 9.305 -9.244 -4.305 1.00 20.01 H new ATOM 0 HB THR A 92 11.647 -8.482 -4.907 1.00 63.31 H new ATOM 0 HG1 THR A 92 10.685 -5.879 -4.139 1.00 63.45 H new ATOM 0 HG21 THR A 92 10.905 -6.952 -6.707 1.00 4.25 H new ATOM 0 HG22 THR A 92 9.803 -8.338 -6.523 1.00 4.25 H new ATOM 0 HG23 THR A 92 9.344 -6.744 -5.877 1.00 4.25 H new ATOM 1505 N THR A 93 11.046 -8.263 -1.646 1.00 53.05 N ATOM 1506 CA THR A 93 11.712 -8.780 -0.436 1.00 0.31 C ATOM 1507 C THR A 93 10.708 -9.461 0.504 1.00 20.03 C ATOM 1508 O THR A 93 11.094 -10.184 1.427 1.00 3.22 O ATOM 1509 CB THR A 93 12.436 -7.664 0.353 1.00 14.52 C ATOM 1510 OG1 THR A 93 11.481 -6.715 0.853 1.00 31.03 O ATOM 1511 CG2 THR A 93 13.457 -6.946 -0.523 1.00 4.23 C ATOM 0 H THR A 93 10.973 -7.247 -1.690 1.00 53.05 H new ATOM 0 HA THR A 93 12.448 -9.505 -0.785 1.00 0.31 H new ATOM 0 HB THR A 93 12.961 -8.129 1.187 1.00 14.52 H new ATOM 0 HG1 THR A 93 11.452 -5.936 0.259 1.00 31.03 H new ATOM 0 HG21 THR A 93 13.951 -6.167 0.058 1.00 4.23 H new ATOM 0 HG22 THR A 93 14.200 -7.661 -0.876 1.00 4.23 H new ATOM 0 HG23 THR A 93 12.951 -6.496 -1.377 1.00 4.23 H new ATOM 1519 N LYS A 94 9.416 -9.204 0.267 1.00 73.13 N ATOM 1520 CA LYS A 94 8.328 -9.812 1.043 1.00 2.44 C ATOM 1521 C LYS A 94 8.405 -9.392 2.526 1.00 22.12 C ATOM 1522 O LYS A 94 8.005 -10.137 3.424 1.00 54.44 O ATOM 1523 CB LYS A 94 8.375 -11.347 0.894 1.00 60.00 C ATOM 1524 CG LYS A 94 7.051 -12.052 1.177 1.00 43.25 C ATOM 1525 CD LYS A 94 5.951 -11.583 0.226 1.00 20.22 C ATOM 1526 CE LYS A 94 4.663 -12.378 0.406 1.00 22.31 C ATOM 1527 NZ LYS A 94 4.841 -13.808 0.050 1.00 42.34 N ATOM 0 H LYS A 94 9.096 -8.571 -0.466 1.00 73.13 H new ATOM 0 HA LYS A 94 7.375 -9.454 0.653 1.00 2.44 H new ATOM 0 HB2 LYS A 94 8.693 -11.591 -0.120 1.00 60.00 H new ATOM 0 HB3 LYS A 94 9.134 -11.742 1.570 1.00 60.00 H new ATOM 0 HG2 LYS A 94 7.183 -13.129 1.078 1.00 43.25 H new ATOM 0 HG3 LYS A 94 6.749 -11.861 2.207 1.00 43.25 H new ATOM 0 HD2 LYS A 94 5.751 -10.525 0.397 1.00 20.22 H new ATOM 0 HD3 LYS A 94 6.296 -11.680 -0.803 1.00 20.22 H new ATOM 0 HE2 LYS A 94 4.330 -12.300 1.441 1.00 22.31 H new ATOM 0 HE3 LYS A 94 3.879 -11.944 -0.215 1.00 22.31 H new ATOM 0 HZ1 LYS A 94 3.910 -14.261 -0.045 1.00 42.34 H new ATOM 0 HZ2 LYS A 94 5.354 -13.880 -0.852 1.00 42.34 H new ATOM 0 HZ3 LYS A 94 5.384 -14.287 0.797 1.00 42.34 H new ATOM 1541 N GLN A 95 8.908 -8.182 2.767 1.00 33.43 N ATOM 1542 CA GLN A 95 9.078 -7.662 4.130 1.00 30.42 C ATOM 1543 C GLN A 95 7.835 -6.913 4.628 1.00 23.21 C ATOM 1544 O GLN A 95 6.919 -6.608 3.861 1.00 20.45 O ATOM 1545 CB GLN A 95 10.308 -6.742 4.199 1.00 62.11 C ATOM 1546 CG GLN A 95 11.631 -7.477 4.022 1.00 63.53 C ATOM 1547 CD GLN A 95 11.892 -8.486 5.130 1.00 32.15 C ATOM 1548 OE1 GLN A 95 12.493 -8.166 6.151 1.00 41.31 O ATOM 1549 NE2 GLN A 95 11.437 -9.710 4.944 1.00 42.12 N ATOM 0 H GLN A 95 9.207 -7.538 2.035 1.00 33.43 H new ATOM 0 HA GLN A 95 9.226 -8.521 4.785 1.00 30.42 H new ATOM 0 HB2 GLN A 95 10.222 -5.976 3.428 1.00 62.11 H new ATOM 0 HB3 GLN A 95 10.313 -6.228 5.160 1.00 62.11 H new ATOM 0 HG2 GLN A 95 11.631 -7.990 3.061 1.00 63.53 H new ATOM 0 HG3 GLN A 95 12.445 -6.752 3.997 1.00 63.53 H new ATOM 0 HE21 GLN A 95 10.941 -9.945 4.084 1.00 42.12 H new ATOM 0 HE22 GLN A 95 11.581 -10.422 5.660 1.00 42.12 H new ATOM 1558 N VAL A 96 7.828 -6.607 5.924 1.00 75.44 N ATOM 1559 CA VAL A 96 6.681 -5.970 6.578 1.00 71.13 C ATOM 1560 C VAL A 96 6.591 -4.458 6.285 1.00 2.34 C ATOM 1561 O VAL A 96 7.597 -3.794 6.023 1.00 0.10 O ATOM 1562 CB VAL A 96 6.738 -6.187 8.113 1.00 22.51 C ATOM 1563 CG1 VAL A 96 6.708 -7.678 8.448 1.00 31.42 C ATOM 1564 CG2 VAL A 96 7.980 -5.522 8.707 1.00 11.22 C ATOM 0 H VAL A 96 8.612 -6.792 6.550 1.00 75.44 H new ATOM 0 HA VAL A 96 5.791 -6.445 6.165 1.00 71.13 H new ATOM 0 HB VAL A 96 5.859 -5.721 8.557 1.00 22.51 H new ATOM 0 HG11 VAL A 96 6.749 -7.809 9.529 1.00 31.42 H new ATOM 0 HG12 VAL A 96 5.788 -8.119 8.064 1.00 31.42 H new ATOM 0 HG13 VAL A 96 7.566 -8.171 7.990 1.00 31.42 H new ATOM 0 HG21 VAL A 96 8.001 -5.686 9.784 1.00 11.22 H new ATOM 0 HG22 VAL A 96 8.874 -5.953 8.257 1.00 11.22 H new ATOM 0 HG23 VAL A 96 7.952 -4.452 8.504 1.00 11.22 H new ATOM 1574 N ILE A 97 5.372 -3.924 6.328 1.00 0.10 N ATOM 1575 CA ILE A 97 5.135 -2.488 6.126 1.00 41.30 C ATOM 1576 C ILE A 97 5.578 -1.667 7.353 1.00 1.14 C ATOM 1577 O ILE A 97 6.485 -0.836 7.264 1.00 54.43 O ATOM 1578 CB ILE A 97 3.639 -2.211 5.826 1.00 72.12 C ATOM 1579 CG1 ILE A 97 3.205 -2.939 4.541 1.00 65.11 C ATOM 1580 CG2 ILE A 97 3.371 -0.710 5.707 1.00 0.34 C ATOM 1581 CD1 ILE A 97 3.969 -2.509 3.305 1.00 62.01 C ATOM 0 H ILE A 97 4.525 -4.465 6.502 1.00 0.10 H new ATOM 0 HA ILE A 97 5.733 -2.180 5.268 1.00 41.30 H new ATOM 0 HB ILE A 97 3.050 -2.594 6.660 1.00 72.12 H new ATOM 0 HG12 ILE A 97 3.335 -4.012 4.681 1.00 65.11 H new ATOM 0 HG13 ILE A 97 2.141 -2.765 4.378 1.00 65.11 H new ATOM 0 HG21 ILE A 97 2.314 -0.545 5.496 1.00 0.34 H new ATOM 0 HG22 ILE A 97 3.636 -0.218 6.643 1.00 0.34 H new ATOM 0 HG23 ILE A 97 3.971 -0.296 4.897 1.00 0.34 H new ATOM 0 HD11 ILE A 97 3.607 -3.066 2.441 1.00 62.01 H new ATOM 0 HD12 ILE A 97 3.820 -1.442 3.138 1.00 62.01 H new ATOM 0 HD13 ILE A 97 5.031 -2.709 3.446 1.00 62.01 H new ATOM 1593 N THR A 98 4.924 -1.899 8.491 1.00 55.32 N ATOM 1594 CA THR A 98 5.297 -1.240 9.754 1.00 61.12 C ATOM 1595 C THR A 98 5.556 -2.270 10.858 1.00 1.32 C ATOM 1596 O THR A 98 4.879 -3.298 10.934 1.00 53.23 O ATOM 1597 CB THR A 98 4.203 -0.259 10.255 1.00 63.12 C ATOM 1598 OG1 THR A 98 2.966 -0.954 10.482 1.00 40.32 O ATOM 1599 CG2 THR A 98 3.974 0.875 9.261 1.00 44.13 C ATOM 0 H THR A 98 4.132 -2.537 8.570 1.00 55.32 H new ATOM 0 HA THR A 98 6.206 -0.678 9.540 1.00 61.12 H new ATOM 0 HB THR A 98 4.555 0.169 11.194 1.00 63.12 H new ATOM 0 HG1 THR A 98 2.288 -0.321 10.799 1.00 40.32 H new ATOM 0 HG21 THR A 98 3.202 1.543 9.643 1.00 44.13 H new ATOM 0 HG22 THR A 98 4.901 1.432 9.124 1.00 44.13 H new ATOM 0 HG23 THR A 98 3.655 0.461 8.304 1.00 44.13 H new ATOM 1607 N LYS A 99 6.531 -1.988 11.722 1.00 73.25 N ATOM 1608 CA LYS A 99 6.826 -2.858 12.866 1.00 72.34 C ATOM 1609 C LYS A 99 5.707 -2.767 13.918 1.00 3.05 C ATOM 1610 O LYS A 99 5.589 -3.620 14.801 1.00 11.40 O ATOM 1611 CB LYS A 99 8.177 -2.481 13.490 1.00 73.22 C ATOM 1612 CG LYS A 99 9.357 -2.586 12.526 1.00 55.53 C ATOM 1613 CD LYS A 99 9.560 -4.014 12.025 1.00 51.42 C ATOM 1614 CE LYS A 99 10.753 -4.120 11.083 1.00 11.13 C ATOM 1615 NZ LYS A 99 12.037 -3.793 11.761 1.00 54.04 N ATOM 0 H LYS A 99 7.131 -1.166 11.654 1.00 73.25 H new ATOM 0 HA LYS A 99 6.881 -3.887 12.510 1.00 72.34 H new ATOM 0 HB2 LYS A 99 8.119 -1.460 13.867 1.00 73.22 H new ATOM 0 HB3 LYS A 99 8.363 -3.128 14.347 1.00 73.22 H new ATOM 0 HG2 LYS A 99 9.191 -1.924 11.676 1.00 55.53 H new ATOM 0 HG3 LYS A 99 10.264 -2.244 13.024 1.00 55.53 H new ATOM 0 HD2 LYS A 99 9.708 -4.680 12.875 1.00 51.42 H new ATOM 0 HD3 LYS A 99 8.660 -4.350 11.510 1.00 51.42 H new ATOM 0 HE2 LYS A 99 10.805 -5.131 10.678 1.00 11.13 H new ATOM 0 HE3 LYS A 99 10.608 -3.446 10.239 1.00 11.13 H new ATOM 0 HZ1 LYS A 99 12.832 -4.055 11.144 1.00 54.04 H new ATOM 0 HZ2 LYS A 99 12.075 -2.773 11.959 1.00 54.04 H new ATOM 0 HZ3 LYS A 99 12.103 -4.322 12.654 1.00 54.04 H new ATOM 1629 N LYS A 100 4.900 -1.710 13.817 1.00 35.24 N ATOM 1630 CA LYS A 100 3.689 -1.561 14.635 1.00 4.43 C ATOM 1631 C LYS A 100 2.720 -2.732 14.407 1.00 40.12 C ATOM 1632 O LYS A 100 2.015 -3.162 15.320 1.00 73.22 O ATOM 1633 CB LYS A 100 2.964 -0.251 14.285 1.00 54.22 C ATOM 1634 CG LYS A 100 3.832 1.001 14.363 1.00 24.12 C ATOM 1635 CD LYS A 100 4.310 1.289 15.782 1.00 32.40 C ATOM 1636 CE LYS A 100 5.141 2.566 15.843 1.00 52.25 C ATOM 1637 NZ LYS A 100 5.506 2.927 17.237 1.00 44.45 N ATOM 0 H LYS A 100 5.063 -0.937 13.172 1.00 35.24 H new ATOM 0 HA LYS A 100 4.000 -1.548 15.680 1.00 4.43 H new ATOM 0 HB2 LYS A 100 2.560 -0.334 13.276 1.00 54.22 H new ATOM 0 HB3 LYS A 100 2.116 -0.130 14.959 1.00 54.22 H new ATOM 0 HG2 LYS A 100 4.696 0.882 13.709 1.00 24.12 H new ATOM 0 HG3 LYS A 100 3.266 1.856 13.993 1.00 24.12 H new ATOM 0 HD2 LYS A 100 3.450 1.381 16.445 1.00 32.40 H new ATOM 0 HD3 LYS A 100 4.903 0.450 16.145 1.00 32.40 H new ATOM 0 HE2 LYS A 100 6.048 2.437 15.253 1.00 52.25 H new ATOM 0 HE3 LYS A 100 4.581 3.385 15.391 1.00 52.25 H new ATOM 0 HZ1 LYS A 100 6.070 3.801 17.233 1.00 44.45 H new ATOM 0 HZ2 LYS A 100 4.641 3.076 17.795 1.00 44.45 H new ATOM 0 HZ3 LYS A 100 6.063 2.157 17.660 1.00 44.45 H new ATOM 1651 N SER A 101 2.691 -3.235 13.176 1.00 51.14 N ATOM 1652 CA SER A 101 1.739 -4.282 12.779 1.00 30.11 C ATOM 1653 C SER A 101 2.446 -5.591 12.400 1.00 44.21 C ATOM 1654 O SER A 101 2.257 -6.628 13.044 1.00 10.23 O ATOM 1655 CB SER A 101 0.906 -3.793 11.587 1.00 2.32 C ATOM 1656 OG SER A 101 1.735 -3.518 10.461 1.00 21.34 O ATOM 0 H SER A 101 3.317 -2.936 12.429 1.00 51.14 H new ATOM 0 HA SER A 101 1.096 -4.485 13.636 1.00 30.11 H new ATOM 0 HB2 SER A 101 0.166 -4.548 11.322 1.00 2.32 H new ATOM 0 HB3 SER A 101 0.357 -2.894 11.867 1.00 2.32 H new ATOM 0 HG SER A 101 2.116 -2.619 10.547 1.00 21.34 H new ATOM 1662 N GLY A 102 3.265 -5.534 11.352 1.00 53.33 N ATOM 1663 CA GLY A 102 3.905 -6.731 10.814 1.00 12.44 C ATOM 1664 C GLY A 102 3.216 -7.242 9.546 1.00 24.52 C ATOM 1665 O GLY A 102 3.331 -8.419 9.195 1.00 63.22 O ATOM 0 H GLY A 102 3.501 -4.672 10.859 1.00 53.33 H new ATOM 0 HA2 GLY A 102 4.950 -6.513 10.594 1.00 12.44 H new ATOM 0 HA3 GLY A 102 3.896 -7.516 11.570 1.00 12.44 H new ATOM 1669 N VAL A 103 2.501 -6.349 8.863 1.00 32.23 N ATOM 1670 CA VAL A 103 1.761 -6.699 7.643 1.00 74.43 C ATOM 1671 C VAL A 103 2.690 -6.862 6.426 1.00 1.43 C ATOM 1672 O VAL A 103 3.508 -5.989 6.134 1.00 53.02 O ATOM 1673 CB VAL A 103 0.694 -5.622 7.317 1.00 50.11 C ATOM 1674 CG1 VAL A 103 -0.092 -5.998 6.061 1.00 32.15 C ATOM 1675 CG2 VAL A 103 -0.244 -5.414 8.506 1.00 73.43 C ATOM 0 H VAL A 103 2.416 -5.369 9.134 1.00 32.23 H new ATOM 0 HA VAL A 103 1.276 -7.655 7.840 1.00 74.43 H new ATOM 0 HB VAL A 103 1.208 -4.681 7.122 1.00 50.11 H new ATOM 0 HG11 VAL A 103 -0.834 -5.228 5.852 1.00 32.15 H new ATOM 0 HG12 VAL A 103 0.591 -6.082 5.216 1.00 32.15 H new ATOM 0 HG13 VAL A 103 -0.594 -6.953 6.218 1.00 32.15 H new ATOM 0 HG21 VAL A 103 -0.985 -4.654 8.256 1.00 73.43 H new ATOM 0 HG22 VAL A 103 -0.749 -6.351 8.739 1.00 73.43 H new ATOM 0 HG23 VAL A 103 0.333 -5.088 9.372 1.00 73.43 H new ATOM 1685 N VAL A 104 2.552 -7.985 5.721 1.00 4.33 N ATOM 1686 CA VAL A 104 3.318 -8.249 4.495 1.00 1.03 C ATOM 1687 C VAL A 104 2.395 -8.253 3.261 1.00 21.11 C ATOM 1688 O VAL A 104 1.261 -8.728 3.327 1.00 73.12 O ATOM 1689 CB VAL A 104 4.057 -9.610 4.584 1.00 73.42 C ATOM 1690 CG1 VAL A 104 4.842 -9.896 3.305 1.00 63.14 C ATOM 1691 CG2 VAL A 104 4.977 -9.641 5.803 1.00 43.40 C ATOM 0 H VAL A 104 1.911 -8.735 5.979 1.00 4.33 H new ATOM 0 HA VAL A 104 4.052 -7.450 4.391 1.00 1.03 H new ATOM 0 HB VAL A 104 3.308 -10.394 4.697 1.00 73.42 H new ATOM 0 HG11 VAL A 104 5.349 -10.856 3.397 1.00 63.14 H new ATOM 0 HG12 VAL A 104 4.158 -9.927 2.457 1.00 63.14 H new ATOM 0 HG13 VAL A 104 5.580 -9.109 3.147 1.00 63.14 H new ATOM 0 HG21 VAL A 104 5.487 -10.603 5.849 1.00 43.40 H new ATOM 0 HG22 VAL A 104 5.715 -8.843 5.722 1.00 43.40 H new ATOM 0 HG23 VAL A 104 4.387 -9.499 6.708 1.00 43.40 H new ATOM 1701 N LEU A 105 2.893 -7.733 2.137 1.00 3.51 N ATOM 1702 CA LEU A 105 2.087 -7.602 0.913 1.00 12.51 C ATOM 1703 C LEU A 105 2.229 -8.824 -0.017 1.00 5.21 C ATOM 1704 O LEU A 105 3.341 -9.216 -0.383 1.00 12.11 O ATOM 1705 CB LEU A 105 2.490 -6.330 0.150 1.00 12.50 C ATOM 1706 CG LEU A 105 2.386 -5.016 0.945 1.00 34.13 C ATOM 1707 CD1 LEU A 105 2.752 -3.819 0.068 1.00 25.34 C ATOM 1708 CD2 LEU A 105 0.987 -4.845 1.540 1.00 65.31 C ATOM 0 H LEU A 105 3.851 -7.394 2.045 1.00 3.51 H new ATOM 0 HA LEU A 105 1.044 -7.540 1.222 1.00 12.51 H new ATOM 0 HB2 LEU A 105 3.518 -6.445 -0.194 1.00 12.50 H new ATOM 0 HB3 LEU A 105 1.864 -6.247 -0.738 1.00 12.50 H new ATOM 0 HG LEU A 105 3.099 -5.065 1.768 1.00 34.13 H new ATOM 0 HD11 LEU A 105 2.671 -2.902 0.652 1.00 25.34 H new ATOM 0 HD12 LEU A 105 3.775 -3.931 -0.292 1.00 25.34 H new ATOM 0 HD13 LEU A 105 2.072 -3.769 -0.782 1.00 25.34 H new ATOM 0 HD21 LEU A 105 0.940 -3.909 2.097 1.00 65.31 H new ATOM 0 HD22 LEU A 105 0.250 -4.827 0.737 1.00 65.31 H new ATOM 0 HD23 LEU A 105 0.773 -5.677 2.211 1.00 65.31 H new ATOM 1720 N LEU A 106 1.095 -9.423 -0.387 1.00 2.55 N ATOM 1721 CA LEU A 106 1.063 -10.531 -1.355 1.00 20.34 C ATOM 1722 C LEU A 106 -0.181 -10.444 -2.261 1.00 11.01 C ATOM 1723 O LEU A 106 -1.169 -9.816 -1.898 1.00 42.34 O ATOM 1724 CB LEU A 106 1.112 -11.896 -0.644 1.00 53.45 C ATOM 1725 CG LEU A 106 0.036 -12.146 0.433 1.00 64.20 C ATOM 1726 CD1 LEU A 106 -0.078 -13.635 0.745 1.00 52.33 C ATOM 1727 CD2 LEU A 106 0.341 -11.372 1.714 1.00 33.30 C ATOM 0 H LEU A 106 0.177 -9.159 -0.029 1.00 2.55 H new ATOM 0 HA LEU A 106 1.950 -10.440 -1.981 1.00 20.34 H new ATOM 0 HB2 LEU A 106 1.028 -12.678 -1.399 1.00 53.45 H new ATOM 0 HB3 LEU A 106 2.092 -12.005 -0.180 1.00 53.45 H new ATOM 0 HG LEU A 106 -0.914 -11.791 0.034 1.00 64.20 H new ATOM 0 HD11 LEU A 106 -0.842 -13.790 1.507 1.00 52.33 H new ATOM 0 HD12 LEU A 106 -0.353 -14.176 -0.160 1.00 52.33 H new ATOM 0 HD13 LEU A 106 0.880 -14.004 1.112 1.00 52.33 H new ATOM 0 HD21 LEU A 106 -0.436 -11.570 2.452 1.00 33.30 H new ATOM 0 HD22 LEU A 106 1.306 -11.688 2.109 1.00 33.30 H new ATOM 0 HD23 LEU A 106 0.371 -10.304 1.496 1.00 33.30 H new ATOM 1739 N ASN A 107 -0.113 -11.086 -3.436 1.00 31.10 N ATOM 1740 CA ASN A 107 -1.191 -11.061 -4.451 1.00 4.54 C ATOM 1741 C ASN A 107 -1.841 -9.667 -4.631 1.00 12.05 C ATOM 1742 O ASN A 107 -2.891 -9.371 -4.057 1.00 71.21 O ATOM 1743 CB ASN A 107 -2.269 -12.141 -4.193 1.00 74.13 C ATOM 1744 CG ASN A 107 -2.834 -12.141 -2.781 1.00 33.23 C ATOM 1745 OD1 ASN A 107 -2.382 -12.892 -1.919 1.00 65.22 O ATOM 1746 ND2 ASN A 107 -3.819 -11.305 -2.528 1.00 55.50 N ATOM 0 H ASN A 107 0.694 -11.643 -3.716 1.00 31.10 H new ATOM 0 HA ASN A 107 -0.694 -11.298 -5.392 1.00 4.54 H new ATOM 0 HB2 ASN A 107 -3.087 -11.996 -4.898 1.00 74.13 H new ATOM 0 HB3 ASN A 107 -1.840 -13.122 -4.400 1.00 74.13 H new ATOM 0 HD21 ASN A 107 -4.229 -11.268 -1.595 1.00 55.50 H new ATOM 0 HD22 ASN A 107 -4.172 -10.695 -3.265 1.00 55.50 H new ATOM 1753 N PRO A 108 -1.224 -8.796 -5.452 1.00 12.44 N ATOM 1754 CA PRO A 108 -1.764 -7.456 -5.732 1.00 72.24 C ATOM 1755 C PRO A 108 -3.025 -7.507 -6.610 1.00 42.14 C ATOM 1756 O PRO A 108 -3.008 -8.075 -7.706 1.00 22.51 O ATOM 1757 CB PRO A 108 -0.611 -6.759 -6.469 1.00 21.41 C ATOM 1758 CG PRO A 108 0.159 -7.870 -7.104 1.00 54.33 C ATOM 1759 CD PRO A 108 0.045 -9.044 -6.165 1.00 63.40 C ATOM 0 HA PRO A 108 -2.078 -6.940 -4.825 1.00 72.24 H new ATOM 0 HB2 PRO A 108 -0.984 -6.058 -7.216 1.00 21.41 H new ATOM 0 HB3 PRO A 108 0.012 -6.188 -5.780 1.00 21.41 H new ATOM 0 HG2 PRO A 108 -0.247 -8.115 -8.086 1.00 54.33 H new ATOM 0 HG3 PRO A 108 1.202 -7.588 -7.251 1.00 54.33 H new ATOM 0 HD2 PRO A 108 0.023 -9.990 -6.706 1.00 63.40 H new ATOM 0 HD3 PRO A 108 0.889 -9.091 -5.477 1.00 63.40 H new ATOM 1767 N ILE A 109 -4.115 -6.914 -6.127 1.00 15.43 N ATOM 1768 CA ILE A 109 -5.384 -6.914 -6.865 1.00 63.31 C ATOM 1769 C ILE A 109 -5.351 -5.916 -8.033 1.00 60.21 C ATOM 1770 O ILE A 109 -5.239 -4.708 -7.818 1.00 4.52 O ATOM 1771 CB ILE A 109 -6.578 -6.579 -5.929 1.00 74.30 C ATOM 1772 CG1 ILE A 109 -6.684 -7.626 -4.810 1.00 62.01 C ATOM 1773 CG2 ILE A 109 -7.888 -6.497 -6.720 1.00 31.33 C ATOM 1774 CD1 ILE A 109 -6.874 -9.042 -5.313 1.00 65.03 C ATOM 0 H ILE A 109 -4.149 -6.428 -5.231 1.00 15.43 H new ATOM 0 HA ILE A 109 -5.520 -7.918 -7.266 1.00 63.31 H new ATOM 0 HB ILE A 109 -6.398 -5.603 -5.478 1.00 74.30 H new ATOM 0 HG12 ILE A 109 -5.781 -7.585 -4.200 1.00 62.01 H new ATOM 0 HG13 ILE A 109 -7.520 -7.366 -4.160 1.00 62.01 H new ATOM 0 HG21 ILE A 109 -8.708 -6.261 -6.042 1.00 31.33 H new ATOM 0 HG22 ILE A 109 -7.808 -5.717 -7.477 1.00 31.33 H new ATOM 0 HG23 ILE A 109 -8.081 -7.454 -7.204 1.00 31.33 H new ATOM 0 HD11 ILE A 109 -6.940 -9.724 -4.465 1.00 65.03 H new ATOM 0 HD12 ILE A 109 -7.792 -9.100 -5.898 1.00 65.03 H new ATOM 0 HD13 ILE A 109 -6.027 -9.323 -5.939 1.00 65.03 H new ATOM 1786 N PRO A 110 -5.442 -6.405 -9.288 1.00 21.11 N ATOM 1787 CA PRO A 110 -5.387 -5.546 -10.481 1.00 35.23 C ATOM 1788 C PRO A 110 -6.631 -4.657 -10.660 1.00 1.52 C ATOM 1789 O PRO A 110 -7.670 -4.872 -10.027 1.00 4.24 O ATOM 1790 CB PRO A 110 -5.266 -6.546 -11.651 1.00 65.31 C ATOM 1791 CG PRO A 110 -4.957 -7.865 -11.016 1.00 5.31 C ATOM 1792 CD PRO A 110 -5.588 -7.821 -9.653 1.00 55.12 C ATOM 0 HA PRO A 110 -4.559 -4.840 -10.413 1.00 35.23 H new ATOM 0 HB2 PRO A 110 -6.192 -6.593 -12.225 1.00 65.31 H new ATOM 0 HB3 PRO A 110 -4.478 -6.248 -12.342 1.00 65.31 H new ATOM 0 HG2 PRO A 110 -5.360 -8.687 -11.607 1.00 5.31 H new ATOM 0 HG3 PRO A 110 -3.881 -8.022 -10.944 1.00 5.31 H new ATOM 0 HD2 PRO A 110 -6.633 -8.129 -9.678 1.00 55.12 H new ATOM 0 HD3 PRO A 110 -5.079 -8.478 -8.947 1.00 55.12 H new ATOM 1800 N LYS A 111 -6.514 -3.657 -11.535 1.00 53.32 N ATOM 1801 CA LYS A 111 -7.629 -2.746 -11.831 1.00 4.12 C ATOM 1802 C LYS A 111 -8.029 -2.782 -13.319 1.00 11.13 C ATOM 1803 O LYS A 111 -7.187 -2.967 -14.202 1.00 25.50 O ATOM 1804 CB LYS A 111 -7.295 -1.297 -11.393 1.00 3.10 C ATOM 1805 CG LYS A 111 -5.830 -0.859 -11.563 1.00 51.23 C ATOM 1806 CD LYS A 111 -5.327 -0.962 -13.003 1.00 1.31 C ATOM 1807 CE LYS A 111 -3.954 -0.310 -13.182 1.00 31.15 C ATOM 1808 NZ LYS A 111 -3.258 -0.795 -14.408 1.00 52.25 N ATOM 0 H LYS A 111 -5.659 -3.454 -12.053 1.00 53.32 H new ATOM 0 HA LYS A 111 -8.485 -3.095 -11.254 1.00 4.12 H new ATOM 0 HB2 LYS A 111 -7.926 -0.613 -11.961 1.00 3.10 H new ATOM 0 HB3 LYS A 111 -7.567 -1.185 -10.344 1.00 3.10 H new ATOM 0 HG2 LYS A 111 -5.725 0.171 -11.222 1.00 51.23 H new ATOM 0 HG3 LYS A 111 -5.198 -1.473 -10.921 1.00 51.23 H new ATOM 0 HD2 LYS A 111 -5.270 -2.011 -13.292 1.00 1.31 H new ATOM 0 HD3 LYS A 111 -6.044 -0.486 -13.672 1.00 1.31 H new ATOM 0 HE2 LYS A 111 -4.072 0.772 -13.237 1.00 31.15 H new ATOM 0 HE3 LYS A 111 -3.337 -0.520 -12.308 1.00 31.15 H new ATOM 0 HZ1 LYS A 111 -2.273 -0.462 -14.403 1.00 52.25 H new ATOM 0 HZ2 LYS A 111 -3.272 -1.835 -14.427 1.00 52.25 H new ATOM 0 HZ3 LYS A 111 -3.743 -0.427 -15.251 1.00 52.25 H new ATOM 1822 N ASP A 112 -9.323 -2.632 -13.583 1.00 61.00 N ATOM 1823 CA ASP A 112 -9.832 -2.507 -14.952 1.00 3.11 C ATOM 1824 C ASP A 112 -9.684 -1.069 -15.457 1.00 33.04 C ATOM 1825 O ASP A 112 -9.934 -0.113 -14.718 1.00 53.04 O ATOM 1826 CB ASP A 112 -11.310 -2.910 -15.020 1.00 43.23 C ATOM 1827 CG ASP A 112 -11.532 -4.388 -14.777 1.00 41.01 C ATOM 1828 OD1 ASP A 112 -11.473 -4.816 -13.606 1.00 11.01 O ATOM 1829 OD2 ASP A 112 -11.765 -5.124 -15.756 1.00 34.33 O ATOM 0 H ASP A 112 -10.046 -2.593 -12.864 1.00 61.00 H new ATOM 0 HA ASP A 112 -9.245 -3.174 -15.584 1.00 3.11 H new ATOM 0 HB2 ASP A 112 -11.871 -2.338 -14.281 1.00 43.23 H new ATOM 0 HB3 ASP A 112 -11.709 -2.644 -15.999 1.00 43.23 H new ATOM 1834 N LYS A 113 -9.291 -0.915 -16.718 1.00 63.41 N ATOM 1835 CA LYS A 113 -9.233 0.408 -17.339 1.00 14.54 C ATOM 1836 C LYS A 113 -10.649 0.877 -17.701 1.00 1.50 C ATOM 1837 O LYS A 113 -10.998 1.008 -18.875 1.00 50.41 O ATOM 1838 CB LYS A 113 -8.331 0.379 -18.585 1.00 54.32 C ATOM 1839 CG LYS A 113 -6.917 -0.140 -18.315 1.00 62.31 C ATOM 1840 CD LYS A 113 -6.179 0.693 -17.263 1.00 11.45 C ATOM 1841 CE LYS A 113 -5.917 2.124 -17.736 1.00 61.14 C ATOM 1842 NZ LYS A 113 -5.076 2.161 -18.962 1.00 4.23 N ATOM 0 H LYS A 113 -9.009 -1.683 -17.328 1.00 63.41 H new ATOM 0 HA LYS A 113 -8.803 1.114 -16.629 1.00 14.54 H new ATOM 0 HB2 LYS A 113 -8.798 -0.247 -19.345 1.00 54.32 H new ATOM 0 HB3 LYS A 113 -8.265 1.386 -18.997 1.00 54.32 H new ATOM 0 HG2 LYS A 113 -6.971 -1.176 -17.981 1.00 62.31 H new ATOM 0 HG3 LYS A 113 -6.347 -0.134 -19.244 1.00 62.31 H new ATOM 0 HD2 LYS A 113 -6.766 0.718 -16.345 1.00 11.45 H new ATOM 0 HD3 LYS A 113 -5.231 0.213 -17.022 1.00 11.45 H new ATOM 0 HE2 LYS A 113 -6.867 2.620 -17.933 1.00 61.14 H new ATOM 0 HE3 LYS A 113 -5.424 2.684 -16.941 1.00 61.14 H new ATOM 0 HZ1 LYS A 113 -4.740 3.132 -19.123 1.00 4.23 H new ATOM 0 HZ2 LYS A 113 -4.260 1.528 -18.842 1.00 4.23 H new ATOM 0 HZ3 LYS A 113 -5.639 1.849 -19.779 1.00 4.23 H new ATOM 1856 N LYS A 114 -11.469 1.102 -16.675 1.00 32.10 N ATOM 1857 CA LYS A 114 -12.880 1.458 -16.864 1.00 40.03 C ATOM 1858 C LYS A 114 -13.201 2.804 -16.194 1.00 52.44 C ATOM 1859 O LYS A 114 -12.421 3.308 -15.385 1.00 70.42 O ATOM 1860 CB LYS A 114 -13.782 0.330 -16.315 1.00 73.24 C ATOM 1861 CG LYS A 114 -15.242 0.438 -16.747 1.00 52.01 C ATOM 1862 CD LYS A 114 -16.080 -0.784 -16.350 1.00 4.34 C ATOM 1863 CE LYS A 114 -16.323 -0.884 -14.842 1.00 2.31 C ATOM 1864 NZ LYS A 114 -15.164 -1.461 -14.105 1.00 24.21 N ATOM 0 H LYS A 114 -11.181 1.044 -15.698 1.00 32.10 H new ATOM 0 HA LYS A 114 -13.076 1.571 -17.930 1.00 40.03 H new ATOM 0 HB2 LYS A 114 -13.386 -0.631 -16.644 1.00 73.24 H new ATOM 0 HB3 LYS A 114 -13.734 0.338 -15.226 1.00 73.24 H new ATOM 0 HG2 LYS A 114 -15.681 1.332 -16.303 1.00 52.01 H new ATOM 0 HG3 LYS A 114 -15.286 0.565 -17.829 1.00 52.01 H new ATOM 0 HD2 LYS A 114 -17.040 -0.741 -16.864 1.00 4.34 H new ATOM 0 HD3 LYS A 114 -15.576 -1.688 -16.691 1.00 4.34 H new ATOM 0 HE2 LYS A 114 -16.540 0.109 -14.448 1.00 2.31 H new ATOM 0 HE3 LYS A 114 -17.205 -1.499 -14.661 1.00 2.31 H new ATOM 0 HZ1 LYS A 114 -15.502 -2.179 -13.433 1.00 24.21 H new ATOM 0 HZ2 LYS A 114 -14.507 -1.901 -14.781 1.00 24.21 H new ATOM 0 HZ3 LYS A 114 -14.672 -0.706 -13.586 1.00 24.21 H new ATOM 1878 N TRP A 115 -14.350 3.379 -16.533 1.00 52.25 N ATOM 1879 CA TRP A 115 -14.720 4.718 -16.069 1.00 14.33 C ATOM 1880 C TRP A 115 -15.051 4.747 -14.563 1.00 23.04 C ATOM 1881 O TRP A 115 -16.216 4.721 -14.172 1.00 23.23 O ATOM 1882 CB TRP A 115 -15.914 5.233 -16.885 1.00 71.13 C ATOM 1883 CG TRP A 115 -15.680 5.183 -18.368 1.00 44.34 C ATOM 1884 CD1 TRP A 115 -16.094 4.210 -19.233 1.00 30.31 C ATOM 1885 CD2 TRP A 115 -14.965 6.140 -19.156 1.00 32.45 C ATOM 1886 NE1 TRP A 115 -15.686 4.508 -20.509 1.00 52.34 N ATOM 1887 CE2 TRP A 115 -14.991 5.687 -20.487 1.00 14.14 C ATOM 1888 CE3 TRP A 115 -14.308 7.337 -18.864 1.00 4.44 C ATOM 1889 CZ2 TRP A 115 -14.386 6.392 -21.524 1.00 4.41 C ATOM 1890 CZ3 TRP A 115 -13.708 8.036 -19.893 1.00 32.55 C ATOM 1891 CH2 TRP A 115 -13.750 7.560 -21.210 1.00 0.42 C ATOM 0 H TRP A 115 -15.048 2.938 -17.132 1.00 52.25 H new ATOM 0 HA TRP A 115 -13.859 5.370 -16.218 1.00 14.33 H new ATOM 0 HB2 TRP A 115 -16.795 4.639 -16.642 1.00 71.13 H new ATOM 0 HB3 TRP A 115 -16.131 6.260 -16.592 1.00 71.13 H new ATOM 0 HD1 TRP A 115 -16.660 3.334 -18.953 1.00 30.31 H new ATOM 0 HE1 TRP A 115 -15.870 3.943 -21.338 1.00 52.34 H new ATOM 0 HE3 TRP A 115 -14.270 7.710 -17.851 1.00 4.44 H new ATOM 0 HZ2 TRP A 115 -14.418 6.029 -22.541 1.00 4.41 H new ATOM 0 HZ3 TRP A 115 -13.199 8.964 -19.679 1.00 32.55 H new ATOM 0 HH2 TRP A 115 -13.270 8.128 -21.993 1.00 0.42 H new ATOM 1902 N ILE A 116 -14.014 4.761 -13.725 1.00 2.50 N ATOM 1903 CA ILE A 116 -14.189 4.866 -12.266 1.00 71.24 C ATOM 1904 C ILE A 116 -13.989 6.322 -11.780 1.00 54.23 C ATOM 1905 O ILE A 116 -12.824 6.746 -11.590 1.00 37.96 O ATOM 1906 CB ILE A 116 -13.217 3.919 -11.507 1.00 21.12 C ATOM 1907 CG1 ILE A 116 -13.395 2.467 -11.988 1.00 3.34 C ATOM 1908 CG2 ILE A 116 -13.431 4.017 -9.992 1.00 33.21 C ATOM 1909 CD1 ILE A 116 -14.780 1.898 -11.749 1.00 10.22 C ATOM 1910 OXT ILE A 116 -15.005 7.034 -11.597 1.00 37.96 O ATOM 0 H ILE A 116 -13.041 4.701 -14.026 1.00 2.50 H new ATOM 0 HA ILE A 116 -15.212 4.561 -12.045 1.00 71.24 H new ATOM 0 HB ILE A 116 -12.196 4.232 -11.725 1.00 21.12 H new ATOM 0 HG12 ILE A 116 -13.174 2.420 -13.054 1.00 3.34 H new ATOM 0 HG13 ILE A 116 -12.663 1.837 -11.483 1.00 3.34 H new ATOM 0 HG21 ILE A 116 -12.740 3.346 -9.483 1.00 33.21 H new ATOM 0 HG22 ILE A 116 -13.250 5.041 -9.664 1.00 33.21 H new ATOM 0 HG23 ILE A 116 -14.456 3.735 -9.750 1.00 33.21 H new ATOM 0 HD11 ILE A 116 -14.820 0.873 -12.116 1.00 10.22 H new ATOM 0 HD12 ILE A 116 -14.999 1.910 -10.681 1.00 10.22 H new ATOM 0 HD13 ILE A 116 -15.518 2.502 -12.277 1.00 10.22 H new TER 1922 ILE A 116