USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 863 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 58 ASN : amide:sc= -2 K(o=-3.8,f=-2.4!) USER MOD Set 1.2: A 90 GLN : amide:sc= -1.78 K(o=-3.8,f=-0.48) USER MOD Set 2.1: A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 117 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 63 ASN : amide:sc= 0.539 K(o=0.44,f=-0.62) USER MOD Set 3.2: A 65 GLN : amide:sc= -0.0989 K(o=0.44,f=-3.2!) USER MOD Set 4.1: A 28 THR OG1 : rot 146:sc= -2.13! USER MOD Set 4.2: A 31 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 48:sc= 1.09 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.796 K(o=-0.8,f=-3.6!) USER MOD Single : A 33 GLN : amide:sc= -0.509 K(o=-0.51,f=-1.1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -111:sc= -0.0824 (180deg=-1.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.074) USER MOD Single : A 45 ASN : amide:sc= 0.223 K(o=0.22,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 70:sc= -2.1 USER MOD Single : A 52 GLN : amide:sc= -3.22 X(o=-3.2,f=-3.4) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 164:sc= 0.0506 USER MOD Single : A 62 SER OG : rot 75:sc= 0.707 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -165:sc= -2.44! (180deg=-2.71!) USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= 0.0158 (180deg=0.0143) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00309 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00908 X(o=-0.0091,f=-0.026) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 15:sc= -1.53 USER MOD Single : A 96 GLN : amide:sc= -0.455 K(o=-0.46,f=-2!) USER MOD Single : A 99 ASN : amide:sc= -3.98 K(o=-4,f=-15!) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 100:sc= -3.71! USER MOD Single : A 108 SER OG : rot 180:sc= 0.102 USER MOD Single : A 111 ASN : amide:sc= -0.0541 X(o=-0.054,f=-0.017) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.68 USER MOD Single : A 114 THR OG1 : rot -179:sc= 1.5 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.809 -4.765 4.660 1.00 0.00 N ATOM 2 CA GLY A 1 18.776 -3.693 4.491 1.00 0.00 C ATOM 3 C GLY A 1 19.836 -3.733 5.593 1.00 0.00 C ATOM 4 O GLY A 1 19.561 -3.375 6.737 1.00 0.00 O ATOM 0 H1 GLY A 1 17.100 -4.716 3.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.297 -5.682 4.620 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.336 -4.664 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.256 -3.782 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.264 -2.731 4.508 1.00 0.00 H new ATOM 8 N SER A 2 21.027 -4.171 5.210 1.00 0.00 N ATOM 9 CA SER A 2 22.129 -4.262 6.151 1.00 0.00 C ATOM 10 C SER A 2 23.462 -4.213 5.402 1.00 0.00 C ATOM 11 O SER A 2 23.741 -5.073 4.567 1.00 0.00 O ATOM 12 CB SER A 2 22.036 -5.540 6.987 1.00 0.00 C ATOM 13 OG SER A 2 22.274 -5.292 8.370 1.00 0.00 O ATOM 0 H SER A 2 21.252 -4.467 4.260 1.00 0.00 H new ATOM 0 HA SER A 2 22.070 -3.411 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.048 -5.983 6.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.760 -6.267 6.619 1.00 0.00 H new ATOM 0 HG SER A 2 22.204 -6.132 8.870 1.00 0.00 H new ATOM 19 N SER A 3 24.251 -3.200 5.727 1.00 0.00 N ATOM 20 CA SER A 3 25.548 -3.028 5.095 1.00 0.00 C ATOM 21 C SER A 3 26.314 -1.890 5.773 1.00 0.00 C ATOM 22 O SER A 3 25.713 -1.016 6.395 1.00 0.00 O ATOM 23 CB SER A 3 25.399 -2.749 3.598 1.00 0.00 C ATOM 24 OG SER A 3 26.486 -3.281 2.845 1.00 0.00 O ATOM 0 H SER A 3 24.017 -2.489 6.420 1.00 0.00 H new ATOM 0 HA SER A 3 26.110 -3.955 5.210 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.464 -3.181 3.240 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.337 -1.673 3.434 1.00 0.00 H new ATOM 0 HG SER A 3 26.353 -3.084 1.894 1.00 0.00 H new ATOM 30 N GLY A 4 27.631 -1.938 5.630 1.00 0.00 N ATOM 31 CA GLY A 4 28.485 -0.923 6.221 1.00 0.00 C ATOM 32 C GLY A 4 29.087 -0.018 5.143 1.00 0.00 C ATOM 33 O GLY A 4 30.140 -0.326 4.587 1.00 0.00 O ATOM 0 H GLY A 4 28.127 -2.664 5.113 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.909 -0.323 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.284 -1.400 6.788 1.00 0.00 H new ATOM 37 N SER A 5 28.393 1.080 4.882 1.00 0.00 N ATOM 38 CA SER A 5 28.846 2.031 3.882 1.00 0.00 C ATOM 39 C SER A 5 28.004 3.307 3.954 1.00 0.00 C ATOM 40 O SER A 5 26.873 3.282 4.438 1.00 0.00 O ATOM 41 CB SER A 5 28.776 1.428 2.477 1.00 0.00 C ATOM 42 OG SER A 5 27.451 1.034 2.131 1.00 0.00 O ATOM 0 H SER A 5 27.520 1.332 5.346 1.00 0.00 H new ATOM 0 HA SER A 5 29.887 2.278 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 5 29.139 2.156 1.751 1.00 0.00 H new ATOM 0 HB3 SER A 5 29.438 0.564 2.420 1.00 0.00 H new ATOM 0 HG SER A 5 27.448 0.656 1.227 1.00 0.00 H new ATOM 48 N SER A 6 28.589 4.391 3.466 1.00 0.00 N ATOM 49 CA SER A 6 27.907 5.674 3.470 1.00 0.00 C ATOM 50 C SER A 6 28.168 6.409 2.154 1.00 0.00 C ATOM 51 O SER A 6 27.234 6.723 1.418 1.00 0.00 O ATOM 52 CB SER A 6 28.354 6.533 4.655 1.00 0.00 C ATOM 53 OG SER A 6 27.276 6.826 5.539 1.00 0.00 O ATOM 0 H SER A 6 29.527 4.407 3.065 1.00 0.00 H new ATOM 0 HA SER A 6 26.837 5.492 3.572 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.141 6.014 5.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.783 7.464 4.286 1.00 0.00 H new ATOM 0 HG SER A 6 27.603 7.374 6.283 1.00 0.00 H new ATOM 59 N GLY A 7 29.443 6.662 1.897 1.00 0.00 N ATOM 60 CA GLY A 7 29.839 7.355 0.682 1.00 0.00 C ATOM 61 C GLY A 7 28.970 8.592 0.448 1.00 0.00 C ATOM 62 O GLY A 7 28.848 9.444 1.327 1.00 0.00 O ATOM 0 H GLY A 7 30.215 6.400 2.509 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.886 7.650 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 7 29.754 6.680 -0.170 1.00 0.00 H new ATOM 66 N ILE A 8 28.389 8.652 -0.741 1.00 0.00 N ATOM 67 CA ILE A 8 27.536 9.771 -1.102 1.00 0.00 C ATOM 68 C ILE A 8 26.081 9.422 -0.779 1.00 0.00 C ATOM 69 O ILE A 8 25.608 8.340 -1.123 1.00 0.00 O ATOM 70 CB ILE A 8 27.763 10.169 -2.561 1.00 0.00 C ATOM 71 CG1 ILE A 8 29.188 10.683 -2.774 1.00 0.00 C ATOM 72 CG2 ILE A 8 26.714 11.183 -3.023 1.00 0.00 C ATOM 73 CD1 ILE A 8 29.520 11.804 -1.786 1.00 0.00 C ATOM 0 H ILE A 8 28.492 7.943 -1.467 1.00 0.00 H new ATOM 0 HA ILE A 8 27.792 10.651 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 8 27.645 9.279 -3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 8 29.896 9.864 -2.651 1.00 0.00 H new ATOM 0 HG13 ILE A 8 29.298 11.049 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 8 26.899 11.449 -4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 8 25.720 10.746 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 8 26.775 12.078 -2.404 1.00 0.00 H new ATOM 0 HD11 ILE A 8 30.539 12.151 -1.959 1.00 0.00 H new ATOM 0 HD12 ILE A 8 28.825 12.632 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 8 29.433 11.428 -0.767 1.00 0.00 H new ATOM 85 N SER A 9 25.413 10.358 -0.122 1.00 0.00 N ATOM 86 CA SER A 9 24.022 10.163 0.251 1.00 0.00 C ATOM 87 C SER A 9 23.458 11.449 0.858 1.00 0.00 C ATOM 88 O SER A 9 23.860 11.854 1.948 1.00 0.00 O ATOM 89 CB SER A 9 23.874 9.002 1.236 1.00 0.00 C ATOM 90 OG SER A 9 23.594 7.772 0.572 1.00 0.00 O ATOM 0 H SER A 9 25.809 11.254 0.162 1.00 0.00 H new ATOM 0 HA SER A 9 23.458 9.915 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 9 24.791 8.900 1.817 1.00 0.00 H new ATOM 0 HB3 SER A 9 23.073 9.224 1.941 1.00 0.00 H new ATOM 0 HG SER A 9 24.213 7.657 -0.179 1.00 0.00 H new ATOM 96 N THR A 10 22.536 12.057 0.126 1.00 0.00 N ATOM 97 CA THR A 10 21.912 13.288 0.579 1.00 0.00 C ATOM 98 C THR A 10 20.738 12.981 1.509 1.00 0.00 C ATOM 99 O THR A 10 20.805 12.053 2.314 1.00 0.00 O ATOM 100 CB THR A 10 21.513 14.098 -0.656 1.00 0.00 C ATOM 101 OG1 THR A 10 22.616 13.941 -1.546 1.00 0.00 O ATOM 102 CG2 THR A 10 21.468 15.603 -0.381 1.00 0.00 C ATOM 0 H THR A 10 22.206 11.720 -0.778 1.00 0.00 H new ATOM 0 HA THR A 10 22.605 13.888 1.170 1.00 0.00 H new ATOM 0 HB THR A 10 20.537 13.764 -1.008 1.00 0.00 H new ATOM 0 HG1 THR A 10 22.440 14.433 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 10 21.180 16.131 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 10 20.740 15.808 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 10 22.452 15.944 -0.060 1.00 0.00 H new ATOM 110 N GLU A 11 19.688 13.778 1.368 1.00 0.00 N ATOM 111 CA GLU A 11 18.500 13.602 2.186 1.00 0.00 C ATOM 112 C GLU A 11 17.469 12.746 1.448 1.00 0.00 C ATOM 113 O GLU A 11 16.266 12.907 1.647 1.00 0.00 O ATOM 114 CB GLU A 11 17.905 14.954 2.586 1.00 0.00 C ATOM 115 CG GLU A 11 19.008 15.982 2.850 1.00 0.00 C ATOM 116 CD GLU A 11 18.440 17.402 2.865 1.00 0.00 C ATOM 117 OE1 GLU A 11 18.333 17.983 1.763 1.00 0.00 O ATOM 118 OE2 GLU A 11 18.126 17.876 3.978 1.00 0.00 O ATOM 0 H GLU A 11 19.636 14.547 0.700 1.00 0.00 H new ATOM 0 HA GLU A 11 18.786 13.083 3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.248 15.315 1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.292 14.836 3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.488 15.768 3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.777 15.902 2.081 1.00 0.00 H new ATOM 125 N GLU A 12 17.978 11.854 0.611 1.00 0.00 N ATOM 126 CA GLU A 12 17.117 10.972 -0.158 1.00 0.00 C ATOM 127 C GLU A 12 16.092 11.788 -0.948 1.00 0.00 C ATOM 128 O GLU A 12 15.935 12.986 -0.716 1.00 0.00 O ATOM 129 CB GLU A 12 16.424 9.954 0.750 1.00 0.00 C ATOM 130 CG GLU A 12 16.508 8.545 0.158 1.00 0.00 C ATOM 131 CD GLU A 12 15.487 7.613 0.814 1.00 0.00 C ATOM 132 OE1 GLU A 12 15.752 7.198 1.962 1.00 0.00 O ATOM 133 OE2 GLU A 12 14.464 7.337 0.151 1.00 0.00 O ATOM 0 H GLU A 12 18.976 11.723 0.449 1.00 0.00 H new ATOM 0 HA GLU A 12 17.735 10.418 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.888 9.966 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.379 10.234 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.330 8.587 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 12 17.513 8.147 0.299 1.00 0.00 H new ATOM 140 N ALA A 13 15.421 11.107 -1.865 1.00 0.00 N ATOM 141 CA ALA A 13 14.415 11.754 -2.691 1.00 0.00 C ATOM 142 C ALA A 13 13.210 10.823 -2.843 1.00 0.00 C ATOM 143 O ALA A 13 13.369 9.608 -2.945 1.00 0.00 O ATOM 144 CB ALA A 13 15.030 12.136 -4.039 1.00 0.00 C ATOM 0 H ALA A 13 15.554 10.114 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 13 14.065 12.673 -2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.276 12.621 -4.659 1.00 0.00 H new ATOM 0 HB2 ALA A 13 15.863 12.821 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 13 15.390 11.239 -4.542 1.00 0.00 H new ATOM 150 N ALA A 14 12.032 11.429 -2.852 1.00 0.00 N ATOM 151 CA ALA A 14 10.801 10.670 -2.990 1.00 0.00 C ATOM 152 C ALA A 14 10.950 9.668 -4.136 1.00 0.00 C ATOM 153 O ALA A 14 11.707 9.904 -5.077 1.00 0.00 O ATOM 154 CB ALA A 14 9.630 11.631 -3.203 1.00 0.00 C ATOM 0 H ALA A 14 11.904 12.437 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 14 10.596 10.103 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.706 11.062 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.549 12.301 -2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.799 12.216 -4.107 1.00 0.00 H new ATOM 160 N PRO A 15 10.197 8.542 -4.017 1.00 0.00 N ATOM 161 CA PRO A 15 10.239 7.503 -5.032 1.00 0.00 C ATOM 162 C PRO A 15 9.467 7.928 -6.283 1.00 0.00 C ATOM 163 O PRO A 15 8.282 8.248 -6.207 1.00 0.00 O ATOM 164 CB PRO A 15 9.650 6.273 -4.361 1.00 0.00 C ATOM 165 CG PRO A 15 8.878 6.785 -3.156 1.00 0.00 C ATOM 166 CD PRO A 15 9.290 8.228 -2.917 1.00 0.00 C ATOM 0 HA PRO A 15 11.250 7.302 -5.386 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.995 5.732 -5.044 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.435 5.581 -4.057 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.805 6.719 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.093 6.176 -2.278 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.425 8.892 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.783 8.344 -1.952 1.00 0.00 H new ATOM 174 N ASP A 16 10.171 7.917 -7.406 1.00 0.00 N ATOM 175 CA ASP A 16 9.567 8.298 -8.671 1.00 0.00 C ATOM 176 C ASP A 16 9.051 7.045 -9.382 1.00 0.00 C ATOM 177 O ASP A 16 9.291 6.860 -10.574 1.00 0.00 O ATOM 178 CB ASP A 16 10.588 8.975 -9.588 1.00 0.00 C ATOM 179 CG ASP A 16 10.887 10.437 -9.253 1.00 0.00 C ATOM 180 OD1 ASP A 16 10.378 10.896 -8.208 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.618 11.063 -10.051 1.00 0.00 O ATOM 0 H ASP A 16 11.154 7.650 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 16 8.755 8.994 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.520 8.411 -9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.225 8.920 -10.614 1.00 0.00 H new ATOM 186 N GLY A 17 8.351 6.217 -8.620 1.00 0.00 N ATOM 187 CA GLY A 17 7.799 4.987 -9.162 1.00 0.00 C ATOM 188 C GLY A 17 7.156 4.142 -8.061 1.00 0.00 C ATOM 189 O GLY A 17 7.674 4.070 -6.947 1.00 0.00 O ATOM 0 H GLY A 17 8.154 6.374 -7.632 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.057 5.223 -9.925 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.588 4.415 -9.651 1.00 0.00 H new ATOM 193 N PRO A 18 6.008 3.508 -8.419 1.00 0.00 N ATOM 194 CA PRO A 18 5.289 2.671 -7.473 1.00 0.00 C ATOM 195 C PRO A 18 6.005 1.334 -7.270 1.00 0.00 C ATOM 196 O PRO A 18 6.942 1.010 -7.999 1.00 0.00 O ATOM 197 CB PRO A 18 3.897 2.516 -8.064 1.00 0.00 C ATOM 198 CG PRO A 18 4.025 2.880 -9.534 1.00 0.00 C ATOM 199 CD PRO A 18 5.365 3.571 -9.728 1.00 0.00 C ATOM 0 HA PRO A 18 5.237 3.110 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.534 1.495 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.184 3.169 -7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.963 1.987 -10.155 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.209 3.537 -9.837 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.963 3.068 -10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.235 4.602 -10.056 1.00 0.00 H new ATOM 207 N PRO A 19 5.524 0.573 -6.251 1.00 0.00 N ATOM 208 CA PRO A 19 6.108 -0.721 -5.943 1.00 0.00 C ATOM 209 C PRO A 19 5.685 -1.772 -6.972 1.00 0.00 C ATOM 210 O PRO A 19 4.686 -1.598 -7.667 1.00 0.00 O ATOM 211 CB PRO A 19 5.632 -1.043 -4.536 1.00 0.00 C ATOM 212 CG PRO A 19 4.432 -0.145 -4.286 1.00 0.00 C ATOM 213 CD PRO A 19 4.417 0.924 -5.367 1.00 0.00 C ATOM 0 HA PRO A 19 7.197 -0.712 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.358 -2.094 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.419 -0.856 -3.805 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.509 -0.725 -4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.496 0.312 -3.298 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.468 0.931 -5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.550 1.919 -4.942 1.00 0.00 H new ATOM 221 N MET A 20 6.468 -2.839 -7.036 1.00 0.00 N ATOM 222 CA MET A 20 6.187 -3.918 -7.968 1.00 0.00 C ATOM 223 C MET A 20 5.489 -5.083 -7.264 1.00 0.00 C ATOM 224 O MET A 20 5.326 -5.069 -6.045 1.00 0.00 O ATOM 225 CB MET A 20 7.495 -4.408 -8.591 1.00 0.00 C ATOM 226 CG MET A 20 8.191 -3.284 -9.361 1.00 0.00 C ATOM 227 SD MET A 20 9.028 -3.950 -10.790 1.00 0.00 S ATOM 228 CE MET A 20 7.852 -3.527 -12.064 1.00 0.00 C ATOM 0 H MET A 20 7.297 -2.979 -6.458 1.00 0.00 H new ATOM 0 HA MET A 20 5.524 -3.538 -8.745 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.156 -4.782 -7.809 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.292 -5.242 -9.263 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.460 -2.538 -9.673 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.907 -2.777 -8.713 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.221 -3.873 -13.029 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.896 -4.004 -11.849 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.720 -2.445 -12.093 1.00 0.00 H new ATOM 238 N ASP A 21 5.094 -6.065 -8.062 1.00 0.00 N ATOM 239 CA ASP A 21 4.417 -7.235 -7.531 1.00 0.00 C ATOM 240 C ASP A 21 3.218 -6.789 -6.693 1.00 0.00 C ATOM 241 O ASP A 21 2.866 -7.439 -5.710 1.00 0.00 O ATOM 242 CB ASP A 21 5.348 -8.048 -6.628 1.00 0.00 C ATOM 243 CG ASP A 21 4.860 -9.460 -6.300 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.075 -9.992 -7.114 1.00 0.00 O ATOM 245 OD2 ASP A 21 5.284 -9.976 -5.243 1.00 0.00 O ATOM 0 H ASP A 21 5.230 -6.074 -9.073 1.00 0.00 H new ATOM 0 HA ASP A 21 4.101 -7.852 -8.372 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.324 -8.120 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.491 -7.503 -5.695 1.00 0.00 H new ATOM 250 N VAL A 22 2.622 -5.682 -7.113 1.00 0.00 N ATOM 251 CA VAL A 22 1.469 -5.141 -6.413 1.00 0.00 C ATOM 252 C VAL A 22 0.243 -6.004 -6.717 1.00 0.00 C ATOM 253 O VAL A 22 -0.298 -5.954 -7.821 1.00 0.00 O ATOM 254 CB VAL A 22 1.273 -3.671 -6.788 1.00 0.00 C ATOM 255 CG1 VAL A 22 0.155 -3.038 -5.956 1.00 0.00 C ATOM 256 CG2 VAL A 22 2.579 -2.887 -6.637 1.00 0.00 C ATOM 0 H VAL A 22 2.916 -5.145 -7.929 1.00 0.00 H new ATOM 0 HA VAL A 22 1.628 -5.170 -5.335 1.00 0.00 H new ATOM 0 HB VAL A 22 0.977 -3.629 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.036 -1.993 -6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.778 -3.572 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.410 -3.098 -4.898 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.412 -1.845 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.918 -2.941 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.338 -3.316 -7.291 1.00 0.00 H new ATOM 266 N THR A 23 -0.160 -6.775 -5.718 1.00 0.00 N ATOM 267 CA THR A 23 -1.313 -7.648 -5.864 1.00 0.00 C ATOM 268 C THR A 23 -1.964 -7.904 -4.504 1.00 0.00 C ATOM 269 O THR A 23 -1.304 -7.816 -3.469 1.00 0.00 O ATOM 270 CB THR A 23 -0.851 -8.927 -6.567 1.00 0.00 C ATOM 271 OG1 THR A 23 -2.057 -9.509 -7.054 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.303 -9.967 -5.588 1.00 0.00 C ATOM 0 H THR A 23 0.291 -6.814 -4.804 1.00 0.00 H new ATOM 0 HA THR A 23 -2.086 -7.184 -6.476 1.00 0.00 H new ATOM 0 HB THR A 23 -0.084 -8.682 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.851 -10.343 -7.526 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.011 -10.854 -6.138 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.551 -9.550 -5.054 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.080 -10.239 -4.873 1.00 0.00 H new ATOM 280 N LEU A 24 -3.251 -8.215 -4.549 1.00 0.00 N ATOM 281 CA LEU A 24 -3.999 -8.484 -3.333 1.00 0.00 C ATOM 282 C LEU A 24 -4.284 -9.985 -3.235 1.00 0.00 C ATOM 283 O LEU A 24 -4.205 -10.701 -4.232 1.00 0.00 O ATOM 284 CB LEU A 24 -5.257 -7.615 -3.274 1.00 0.00 C ATOM 285 CG LEU A 24 -5.042 -6.112 -3.465 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.363 -5.406 -3.779 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.339 -5.500 -2.251 1.00 0.00 C ATOM 0 H LEU A 24 -3.795 -8.287 -5.409 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.410 -8.213 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.951 -7.963 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.739 -7.773 -2.310 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.386 -5.966 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.183 -4.339 -3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.787 -5.818 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.061 -5.558 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.198 -4.431 -2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.949 -5.655 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.369 -5.977 -2.114 1.00 0.00 H new ATOM 299 N GLN A 25 -4.608 -10.416 -2.025 1.00 0.00 N ATOM 300 CA GLN A 25 -4.904 -11.818 -1.785 1.00 0.00 C ATOM 301 C GLN A 25 -5.724 -11.974 -0.502 1.00 0.00 C ATOM 302 O GLN A 25 -5.262 -11.622 0.582 1.00 0.00 O ATOM 303 CB GLN A 25 -3.620 -12.646 -1.718 1.00 0.00 C ATOM 304 CG GLN A 25 -3.794 -13.986 -2.436 1.00 0.00 C ATOM 305 CD GLN A 25 -2.520 -14.375 -3.189 1.00 0.00 C ATOM 306 OE1 GLN A 25 -2.276 -13.953 -4.307 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.724 -15.201 -2.515 1.00 0.00 N ATOM 0 H GLN A 25 -4.672 -9.819 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.496 -12.193 -2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.800 -12.090 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.349 -12.820 -0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.043 -14.761 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.628 -13.923 -3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.989 -15.516 -1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.849 -15.519 -2.932 1.00 0.00 H new ATOM 316 N PRO A 26 -6.959 -12.517 -0.673 1.00 0.00 N ATOM 317 CA PRO A 26 -7.848 -12.725 0.458 1.00 0.00 C ATOM 318 C PRO A 26 -7.399 -13.924 1.295 1.00 0.00 C ATOM 319 O PRO A 26 -7.346 -15.048 0.798 1.00 0.00 O ATOM 320 CB PRO A 26 -9.227 -12.911 -0.155 1.00 0.00 C ATOM 321 CG PRO A 26 -8.990 -13.264 -1.614 1.00 0.00 C ATOM 322 CD PRO A 26 -7.540 -12.946 -1.942 1.00 0.00 C ATOM 0 HA PRO A 26 -7.846 -11.887 1.155 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -9.777 -13.702 0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -9.821 -12.001 -0.065 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.198 -14.319 -1.790 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.661 -12.695 -2.258 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.023 -13.820 -2.339 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.467 -12.162 -2.696 1.00 0.00 H new ATOM 330 N VAL A 27 -7.087 -13.643 2.552 1.00 0.00 N ATOM 331 CA VAL A 27 -6.644 -14.685 3.463 1.00 0.00 C ATOM 332 C VAL A 27 -7.739 -14.950 4.499 1.00 0.00 C ATOM 333 O VAL A 27 -7.927 -16.086 4.931 1.00 0.00 O ATOM 334 CB VAL A 27 -5.306 -14.294 4.094 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.156 -14.487 3.105 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.345 -12.856 4.615 1.00 0.00 C ATOM 0 H VAL A 27 -7.132 -12.710 2.961 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.474 -15.617 2.924 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.131 -14.954 4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.217 -14.202 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.107 -15.533 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.323 -13.864 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.382 -12.603 5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.554 -12.175 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.127 -12.763 5.369 1.00 0.00 H new ATOM 346 N THR A 28 -8.432 -13.882 4.866 1.00 0.00 N ATOM 347 CA THR A 28 -9.503 -13.986 5.843 1.00 0.00 C ATOM 348 C THR A 28 -10.840 -13.590 5.212 1.00 0.00 C ATOM 349 O THR A 28 -10.958 -13.524 3.989 1.00 0.00 O ATOM 350 CB THR A 28 -9.124 -13.128 7.052 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.254 -11.789 6.583 1.00 0.00 O ATOM 352 CG2 THR A 28 -7.644 -13.253 7.418 1.00 0.00 C ATOM 0 H THR A 28 -8.273 -12.941 4.505 1.00 0.00 H new ATOM 0 HA THR A 28 -9.631 -15.014 6.183 1.00 0.00 H new ATOM 0 HB THR A 28 -9.735 -13.417 7.907 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.560 -11.214 7.315 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.428 -12.624 8.282 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.415 -14.291 7.659 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.032 -12.933 6.575 1.00 0.00 H new ATOM 360 N SER A 29 -11.813 -13.336 6.075 1.00 0.00 N ATOM 361 CA SER A 29 -13.136 -12.949 5.618 1.00 0.00 C ATOM 362 C SER A 29 -13.225 -11.426 5.502 1.00 0.00 C ATOM 363 O SER A 29 -13.772 -10.904 4.532 1.00 0.00 O ATOM 364 CB SER A 29 -14.220 -13.473 6.561 1.00 0.00 C ATOM 365 OG SER A 29 -14.066 -14.864 6.832 1.00 0.00 O ATOM 0 H SER A 29 -11.711 -13.391 7.088 1.00 0.00 H new ATOM 0 HA SER A 29 -13.301 -13.392 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.186 -12.916 7.497 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.201 -13.296 6.120 1.00 0.00 H new ATOM 0 HG SER A 29 -14.776 -15.160 7.439 1.00 0.00 H new ATOM 371 N GLN A 30 -12.678 -10.755 6.505 1.00 0.00 N ATOM 372 CA GLN A 30 -12.688 -9.302 6.528 1.00 0.00 C ATOM 373 C GLN A 30 -11.257 -8.762 6.550 1.00 0.00 C ATOM 374 O GLN A 30 -10.949 -7.842 7.307 1.00 0.00 O ATOM 375 CB GLN A 30 -13.491 -8.778 7.721 1.00 0.00 C ATOM 376 CG GLN A 30 -14.933 -9.287 7.677 1.00 0.00 C ATOM 377 CD GLN A 30 -15.632 -9.068 9.020 1.00 0.00 C ATOM 378 OE1 GLN A 30 -16.013 -9.999 9.710 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.780 -7.788 9.351 1.00 0.00 N ATOM 0 H GLN A 30 -12.225 -11.191 7.308 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.175 -8.947 5.620 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -13.018 -9.095 8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.486 -7.688 7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.481 -8.770 6.889 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -14.941 -10.348 7.428 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -15.438 -7.057 8.727 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.236 -7.538 10.229 1.00 0.00 H new ATOM 388 N SER A 31 -10.421 -9.355 5.710 1.00 0.00 N ATOM 389 CA SER A 31 -9.030 -8.944 5.624 1.00 0.00 C ATOM 390 C SER A 31 -8.402 -9.492 4.341 1.00 0.00 C ATOM 391 O SER A 31 -8.777 -10.565 3.871 1.00 0.00 O ATOM 392 CB SER A 31 -8.240 -9.417 6.845 1.00 0.00 C ATOM 393 OG SER A 31 -9.094 -9.803 7.918 1.00 0.00 O ATOM 0 H SER A 31 -10.680 -10.117 5.083 1.00 0.00 H new ATOM 0 HA SER A 31 -8.995 -7.855 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.608 -10.260 6.564 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.577 -8.619 7.179 1.00 0.00 H new ATOM 0 HG SER A 31 -8.551 -10.100 8.678 1.00 0.00 H new ATOM 399 N ILE A 32 -7.457 -8.730 3.811 1.00 0.00 N ATOM 400 CA ILE A 32 -6.773 -9.125 2.591 1.00 0.00 C ATOM 401 C ILE A 32 -5.268 -8.908 2.762 1.00 0.00 C ATOM 402 O ILE A 32 -4.844 -8.090 3.577 1.00 0.00 O ATOM 403 CB ILE A 32 -7.366 -8.397 1.384 1.00 0.00 C ATOM 404 CG1 ILE A 32 -8.841 -8.755 1.197 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.546 -8.670 0.121 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.500 -7.845 0.158 1.00 0.00 C ATOM 0 H ILE A 32 -7.149 -7.841 4.204 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.922 -10.187 2.398 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.317 -7.325 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.929 -9.795 0.883 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.364 -8.664 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.989 -8.140 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.523 -8.324 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.541 -9.740 -0.085 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.548 -8.122 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.432 -6.808 0.487 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.990 -7.956 -0.799 1.00 0.00 H new ATOM 418 N GLN A 33 -4.502 -9.656 1.981 1.00 0.00 N ATOM 419 CA GLN A 33 -3.053 -9.556 2.036 1.00 0.00 C ATOM 420 C GLN A 33 -2.528 -8.793 0.818 1.00 0.00 C ATOM 421 O GLN A 33 -2.822 -9.155 -0.320 1.00 0.00 O ATOM 422 CB GLN A 33 -2.411 -10.941 2.135 1.00 0.00 C ATOM 423 CG GLN A 33 -0.892 -10.832 2.277 1.00 0.00 C ATOM 424 CD GLN A 33 -0.191 -12.007 1.591 1.00 0.00 C ATOM 425 OE1 GLN A 33 -0.555 -12.432 0.507 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.831 -12.505 2.282 1.00 0.00 N ATOM 0 H GLN A 33 -4.857 -10.334 1.307 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.780 -9.001 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.822 -11.476 2.991 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.656 -11.524 1.247 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.549 -9.894 1.840 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.623 -10.809 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.082 -12.101 3.184 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.364 -13.291 1.910 1.00 0.00 H new ATOM 435 N VAL A 34 -1.758 -7.751 1.099 1.00 0.00 N ATOM 436 CA VAL A 34 -1.189 -6.935 0.041 1.00 0.00 C ATOM 437 C VAL A 34 0.324 -7.158 -0.011 1.00 0.00 C ATOM 438 O VAL A 34 1.045 -6.762 0.903 1.00 0.00 O ATOM 439 CB VAL A 34 -1.570 -5.468 0.250 1.00 0.00 C ATOM 440 CG1 VAL A 34 -0.960 -4.583 -0.839 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.090 -5.299 0.306 1.00 0.00 C ATOM 0 H VAL A 34 -1.515 -7.454 2.044 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.594 -7.228 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.162 -5.149 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.246 -3.545 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.126 -4.669 -0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.325 -4.903 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.334 -4.247 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.529 -5.644 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.491 -5.885 1.133 1.00 0.00 H new ATOM 451 N THR A 35 0.760 -7.790 -1.091 1.00 0.00 N ATOM 452 CA THR A 35 2.173 -8.071 -1.274 1.00 0.00 C ATOM 453 C THR A 35 2.721 -7.290 -2.471 1.00 0.00 C ATOM 454 O THR A 35 2.035 -7.132 -3.480 1.00 0.00 O ATOM 455 CB THR A 35 2.342 -9.585 -1.408 1.00 0.00 C ATOM 456 OG1 THR A 35 1.188 -10.000 -2.135 1.00 0.00 O ATOM 457 CG2 THR A 35 2.217 -10.309 -0.066 1.00 0.00 C ATOM 0 H THR A 35 0.159 -8.115 -1.848 1.00 0.00 H new ATOM 0 HA THR A 35 2.756 -7.740 -0.415 1.00 0.00 H new ATOM 0 HB THR A 35 3.314 -9.804 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.217 -10.970 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.345 -11.381 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.985 -9.945 0.617 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.232 -10.118 0.360 1.00 0.00 H new ATOM 465 N TRP A 36 3.951 -6.823 -2.319 1.00 0.00 N ATOM 466 CA TRP A 36 4.599 -6.063 -3.375 1.00 0.00 C ATOM 467 C TRP A 36 6.111 -6.235 -3.222 1.00 0.00 C ATOM 468 O TRP A 36 6.573 -6.902 -2.298 1.00 0.00 O ATOM 469 CB TRP A 36 4.158 -4.599 -3.346 1.00 0.00 C ATOM 470 CG TRP A 36 4.628 -3.832 -2.108 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.853 -3.354 -1.848 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.825 -3.471 -0.964 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.898 -2.715 -0.626 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.626 -2.788 -0.072 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.467 -3.713 -0.693 1.00 0.00 C ATOM 476 CZ2 TRP A 36 4.160 -2.291 1.152 1.00 0.00 C ATOM 477 CZ3 TRP A 36 2.017 -3.210 0.534 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.810 -2.521 1.444 1.00 0.00 C ATOM 0 H TRP A 36 4.517 -6.956 -1.481 1.00 0.00 H new ATOM 0 HA TRP A 36 4.304 -6.436 -4.356 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.537 -4.098 -4.237 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.070 -4.557 -3.396 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.699 -3.456 -2.512 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.715 -2.271 -0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.822 -4.245 -1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.807 -1.759 1.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.980 -3.369 0.791 1.00 0.00 H new ATOM 0 HH2 TRP A 36 2.387 -2.165 2.372 1.00 0.00 H new ATOM 489 N LYS A 37 6.841 -5.622 -4.142 1.00 0.00 N ATOM 490 CA LYS A 37 8.292 -5.699 -4.121 1.00 0.00 C ATOM 491 C LYS A 37 8.875 -4.297 -4.311 1.00 0.00 C ATOM 492 O LYS A 37 8.177 -3.384 -4.750 1.00 0.00 O ATOM 493 CB LYS A 37 8.789 -6.716 -5.149 1.00 0.00 C ATOM 494 CG LYS A 37 8.459 -8.145 -4.711 1.00 0.00 C ATOM 495 CD LYS A 37 8.886 -9.157 -5.776 1.00 0.00 C ATOM 496 CE LYS A 37 10.333 -9.604 -5.558 1.00 0.00 C ATOM 497 NZ LYS A 37 11.117 -9.446 -6.803 1.00 0.00 N ATOM 0 H LYS A 37 6.455 -5.069 -4.907 1.00 0.00 H new ATOM 0 HA LYS A 37 8.641 -6.062 -3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.331 -6.514 -6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.866 -6.611 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.964 -8.367 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.388 -8.235 -4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.225 -10.023 -5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.784 -8.713 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.785 -9.016 -4.759 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.354 -10.646 -5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.097 -9.754 -6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.694 -10.026 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.112 -8.447 -7.092 1.00 0.00 H new ATOM 511 N ALA A 38 10.149 -4.170 -3.971 1.00 0.00 N ATOM 512 CA ALA A 38 10.835 -2.895 -4.099 1.00 0.00 C ATOM 513 C ALA A 38 10.431 -2.234 -5.418 1.00 0.00 C ATOM 514 O ALA A 38 10.368 -2.895 -6.454 1.00 0.00 O ATOM 515 CB ALA A 38 12.345 -3.115 -3.994 1.00 0.00 C ATOM 0 H ALA A 38 10.725 -4.929 -3.607 1.00 0.00 H new ATOM 0 HA ALA A 38 10.548 -2.221 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.860 -2.159 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.582 -3.559 -3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.671 -3.784 -4.790 1.00 0.00 H new ATOM 521 N PRO A 39 10.163 -0.904 -5.336 1.00 0.00 N ATOM 522 CA PRO A 39 9.767 -0.146 -6.511 1.00 0.00 C ATOM 523 C PRO A 39 10.967 0.118 -7.423 1.00 0.00 C ATOM 524 O PRO A 39 11.793 0.983 -7.134 1.00 0.00 O ATOM 525 CB PRO A 39 9.144 1.129 -5.966 1.00 0.00 C ATOM 526 CG PRO A 39 9.630 1.250 -4.531 1.00 0.00 C ATOM 527 CD PRO A 39 10.228 -0.088 -4.127 1.00 0.00 C ATOM 0 HA PRO A 39 9.056 -0.684 -7.138 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.447 1.995 -6.555 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.056 1.081 -6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.374 2.042 -4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.805 1.515 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.255 0.026 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.666 -0.543 -3.312 1.00 0.00 H new ATOM 535 N LYS A 40 11.026 -0.644 -8.506 1.00 0.00 N ATOM 536 CA LYS A 40 12.111 -0.504 -9.461 1.00 0.00 C ATOM 537 C LYS A 40 13.440 -0.420 -8.709 1.00 0.00 C ATOM 538 O LYS A 40 13.492 -0.662 -7.504 1.00 0.00 O ATOM 539 CB LYS A 40 11.855 0.684 -10.392 1.00 0.00 C ATOM 540 CG LYS A 40 11.180 0.230 -11.687 1.00 0.00 C ATOM 541 CD LYS A 40 9.656 0.257 -11.550 1.00 0.00 C ATOM 542 CE LYS A 40 9.001 0.817 -12.814 1.00 0.00 C ATOM 543 NZ LYS A 40 8.106 1.946 -12.476 1.00 0.00 N ATOM 0 H LYS A 40 10.339 -1.360 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 40 12.165 -1.380 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.226 1.417 -9.887 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.798 1.179 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.486 0.879 -12.508 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.508 -0.779 -11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.287 -0.751 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.375 0.866 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.769 1.150 -13.512 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.434 0.033 -13.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.117 1.664 -12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.237 2.206 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.334 2.762 -13.079 1.00 0.00 H new ATOM 557 N LYS A 41 14.483 -0.076 -9.450 1.00 0.00 N ATOM 558 CA LYS A 41 15.809 0.043 -8.868 1.00 0.00 C ATOM 559 C LYS A 41 16.293 1.489 -9.001 1.00 0.00 C ATOM 560 O LYS A 41 16.754 2.085 -8.030 1.00 0.00 O ATOM 561 CB LYS A 41 16.760 -0.983 -9.487 1.00 0.00 C ATOM 562 CG LYS A 41 18.220 -0.575 -9.277 1.00 0.00 C ATOM 563 CD LYS A 41 18.626 -0.725 -7.809 1.00 0.00 C ATOM 564 CE LYS A 41 20.148 -0.767 -7.663 1.00 0.00 C ATOM 565 NZ LYS A 41 20.589 -2.108 -7.218 1.00 0.00 N ATOM 0 H LYS A 41 14.437 0.124 -10.449 1.00 0.00 H new ATOM 0 HA LYS A 41 15.779 -0.186 -7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.585 -1.962 -9.041 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.555 -1.077 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.867 -1.191 -9.902 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.362 0.458 -9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.224 0.107 -7.230 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.192 -1.637 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.618 -0.521 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.471 -0.014 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.625 -2.119 -7.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.155 -2.329 -6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.297 -2.819 -7.918 1.00 0.00 H new ATOM 579 N GLU A 42 16.170 2.010 -10.213 1.00 0.00 N ATOM 580 CA GLU A 42 16.589 3.374 -10.487 1.00 0.00 C ATOM 581 C GLU A 42 15.418 4.339 -10.286 1.00 0.00 C ATOM 582 O GLU A 42 15.314 5.348 -10.982 1.00 0.00 O ATOM 583 CB GLU A 42 17.165 3.498 -11.898 1.00 0.00 C ATOM 584 CG GLU A 42 16.055 3.454 -12.950 1.00 0.00 C ATOM 585 CD GLU A 42 16.600 2.992 -14.303 1.00 0.00 C ATOM 586 OE1 GLU A 42 17.138 3.860 -15.024 1.00 0.00 O ATOM 587 OE2 GLU A 42 16.465 1.782 -14.586 1.00 0.00 O ATOM 0 H GLU A 42 15.786 1.512 -11.016 1.00 0.00 H new ATOM 0 HA GLU A 42 17.378 3.639 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.719 4.433 -11.988 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.873 2.689 -12.078 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.265 2.778 -12.622 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.607 4.442 -13.053 1.00 0.00 H new ATOM 594 N LEU A 43 14.568 3.996 -9.330 1.00 0.00 N ATOM 595 CA LEU A 43 13.409 4.819 -9.028 1.00 0.00 C ATOM 596 C LEU A 43 13.348 5.073 -7.521 1.00 0.00 C ATOM 597 O LEU A 43 13.114 6.200 -7.086 1.00 0.00 O ATOM 598 CB LEU A 43 12.138 4.185 -9.597 1.00 0.00 C ATOM 599 CG LEU A 43 11.858 4.456 -11.077 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.496 3.893 -11.489 1.00 0.00 C ATOM 601 CD2 LEU A 43 11.981 5.947 -11.394 1.00 0.00 C ATOM 0 H LEU A 43 14.658 3.159 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 43 13.496 5.792 -9.512 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.197 3.107 -9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.287 4.540 -9.016 1.00 0.00 H new ATOM 0 HG LEU A 43 12.613 3.938 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.322 4.099 -12.545 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.482 2.816 -11.322 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.713 4.363 -10.894 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.777 6.112 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.263 6.507 -10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.990 6.286 -11.162 1.00 0.00 H new ATOM 613 N GLN A 44 13.561 4.007 -6.764 1.00 0.00 N ATOM 614 CA GLN A 44 13.533 4.100 -5.314 1.00 0.00 C ATOM 615 C GLN A 44 14.135 5.430 -4.856 1.00 0.00 C ATOM 616 O GLN A 44 13.647 6.043 -3.908 1.00 0.00 O ATOM 617 CB GLN A 44 14.264 2.918 -4.674 1.00 0.00 C ATOM 618 CG GLN A 44 13.674 1.588 -5.148 1.00 0.00 C ATOM 619 CD GLN A 44 14.181 0.427 -4.290 1.00 0.00 C ATOM 620 OE1 GLN A 44 13.842 0.287 -3.126 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.010 -0.395 -4.927 1.00 0.00 N ATOM 0 H GLN A 44 13.754 3.074 -7.128 1.00 0.00 H new ATOM 0 HA GLN A 44 12.494 4.062 -4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.323 2.961 -4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.192 2.986 -3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 44 12.586 1.631 -5.101 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.942 1.418 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 44 15.253 -0.220 -5.902 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.403 -1.201 -4.440 1.00 0.00 H new ATOM 630 N ASN A 45 15.188 5.837 -5.551 1.00 0.00 N ATOM 631 CA ASN A 45 15.862 7.083 -5.227 1.00 0.00 C ATOM 632 C ASN A 45 16.313 7.049 -3.766 1.00 0.00 C ATOM 633 O ASN A 45 16.011 7.961 -2.997 1.00 0.00 O ATOM 634 CB ASN A 45 14.924 8.279 -5.404 1.00 0.00 C ATOM 635 CG ASN A 45 14.699 8.584 -6.886 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.418 8.124 -7.758 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.664 9.385 -7.122 1.00 0.00 N ATOM 0 H ASN A 45 15.590 5.326 -6.337 1.00 0.00 H new ATOM 0 HA ASN A 45 16.714 7.190 -5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.968 8.071 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 45 15.346 9.153 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.431 9.649 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.103 9.735 -6.346 1.00 0.00 H new ATOM 644 N GLY A 46 17.029 5.987 -3.425 1.00 0.00 N ATOM 645 CA GLY A 46 17.526 5.822 -2.070 1.00 0.00 C ATOM 646 C GLY A 46 16.706 4.777 -1.309 1.00 0.00 C ATOM 647 O GLY A 46 15.658 4.341 -1.782 1.00 0.00 O ATOM 0 H GLY A 46 17.277 5.232 -4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.573 5.519 -2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.484 6.776 -1.544 1.00 0.00 H new ATOM 651 N VAL A 47 17.216 4.406 -0.144 1.00 0.00 N ATOM 652 CA VAL A 47 16.545 3.421 0.686 1.00 0.00 C ATOM 653 C VAL A 47 15.102 3.866 0.933 1.00 0.00 C ATOM 654 O VAL A 47 14.739 5.002 0.632 1.00 0.00 O ATOM 655 CB VAL A 47 17.332 3.202 1.980 1.00 0.00 C ATOM 656 CG1 VAL A 47 17.199 4.407 2.913 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.892 1.915 2.679 1.00 0.00 C ATOM 0 H VAL A 47 18.086 4.770 0.245 1.00 0.00 H new ATOM 0 HA VAL A 47 16.506 2.457 0.178 1.00 0.00 H new ATOM 0 HB VAL A 47 18.385 3.096 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.768 4.225 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.585 5.297 2.416 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.149 4.559 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.467 1.784 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.831 1.977 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 47 17.063 1.065 2.018 1.00 0.00 H new ATOM 667 N ILE A 48 14.318 2.948 1.479 1.00 0.00 N ATOM 668 CA ILE A 48 12.923 3.232 1.770 1.00 0.00 C ATOM 669 C ILE A 48 12.692 3.139 3.280 1.00 0.00 C ATOM 670 O ILE A 48 13.274 2.287 3.949 1.00 0.00 O ATOM 671 CB ILE A 48 12.008 2.319 0.951 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.508 2.192 -0.490 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.557 2.798 1.014 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.294 3.495 -1.261 1.00 0.00 C ATOM 0 H ILE A 48 14.622 2.007 1.728 1.00 0.00 H new ATOM 0 HA ILE A 48 12.671 4.249 1.470 1.00 0.00 H new ATOM 0 HB ILE A 48 12.037 1.322 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.567 1.935 -0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.983 1.379 -0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.928 2.132 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.217 2.795 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.490 3.810 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.658 3.378 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.231 3.736 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.840 4.301 -0.772 1.00 0.00 H new ATOM 686 N ARG A 49 11.841 4.028 3.771 1.00 0.00 N ATOM 687 CA ARG A 49 11.526 4.057 5.189 1.00 0.00 C ATOM 688 C ARG A 49 10.247 3.265 5.465 1.00 0.00 C ATOM 689 O ARG A 49 10.093 2.681 6.537 1.00 0.00 O ATOM 690 CB ARG A 49 11.345 5.494 5.684 1.00 0.00 C ATOM 691 CG ARG A 49 12.644 6.291 5.540 1.00 0.00 C ATOM 692 CD ARG A 49 13.210 6.668 6.911 1.00 0.00 C ATOM 693 NE ARG A 49 14.657 6.361 6.963 1.00 0.00 N ATOM 694 CZ ARG A 49 15.449 6.651 8.004 1.00 0.00 C ATOM 695 NH1 ARG A 49 14.940 7.256 9.085 1.00 0.00 N ATOM 696 NH2 ARG A 49 16.751 6.335 7.963 1.00 0.00 N ATOM 0 H ARG A 49 11.360 4.733 3.212 1.00 0.00 H new ATOM 0 HA ARG A 49 12.361 3.603 5.723 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.551 5.980 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.033 5.486 6.728 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.377 5.702 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.458 7.194 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.048 7.729 7.101 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.685 6.120 7.694 1.00 0.00 H new ATOM 0 HE ARG A 49 15.077 5.900 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.949 7.496 9.116 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.543 7.477 9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.138 5.874 7.140 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.355 6.556 8.755 1.00 0.00 H new ATOM 710 N GLY A 50 9.360 3.272 4.480 1.00 0.00 N ATOM 711 CA GLY A 50 8.099 2.561 4.604 1.00 0.00 C ATOM 712 C GLY A 50 7.210 2.806 3.383 1.00 0.00 C ATOM 713 O GLY A 50 7.597 3.526 2.463 1.00 0.00 O ATOM 0 H GLY A 50 9.490 3.759 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.288 1.493 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.581 2.886 5.507 1.00 0.00 H new ATOM 717 N TYR A 51 6.036 2.193 3.413 1.00 0.00 N ATOM 718 CA TYR A 51 5.089 2.335 2.320 1.00 0.00 C ATOM 719 C TYR A 51 3.667 2.530 2.848 1.00 0.00 C ATOM 720 O TYR A 51 3.381 2.214 4.002 1.00 0.00 O ATOM 721 CB TYR A 51 5.153 1.024 1.533 1.00 0.00 C ATOM 722 CG TYR A 51 6.465 0.817 0.774 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.639 0.610 1.469 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.474 0.837 -0.606 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.874 0.415 0.754 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.709 0.642 -1.321 1.00 0.00 C ATOM 727 CZ TYR A 51 8.848 0.441 -0.606 1.00 0.00 C ATOM 728 OH TYR A 51 10.014 0.256 -1.281 1.00 0.00 O ATOM 0 H TYR A 51 5.719 1.597 4.177 1.00 0.00 H new ATOM 0 HA TYR A 51 5.337 3.202 1.708 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.008 0.191 2.222 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.326 0.998 0.823 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.632 0.594 2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.555 0.999 -1.150 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.800 0.252 1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.730 0.655 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 51 10.305 -0.674 -1.182 1.00 0.00 H new ATOM 738 N GLN A 52 2.813 3.051 1.979 1.00 0.00 N ATOM 739 CA GLN A 52 1.428 3.292 2.344 1.00 0.00 C ATOM 740 C GLN A 52 0.505 2.336 1.585 1.00 0.00 C ATOM 741 O GLN A 52 0.878 1.806 0.540 1.00 0.00 O ATOM 742 CB GLN A 52 1.039 4.749 2.087 1.00 0.00 C ATOM 743 CG GLN A 52 1.382 5.629 3.290 1.00 0.00 C ATOM 744 CD GLN A 52 0.727 7.006 3.168 1.00 0.00 C ATOM 745 OE1 GLN A 52 0.269 7.413 2.112 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.707 7.699 4.303 1.00 0.00 N ATOM 0 H GLN A 52 3.054 3.313 1.023 1.00 0.00 H new ATOM 0 HA GLN A 52 1.316 3.103 3.412 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.559 5.117 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.029 4.812 1.878 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.048 5.144 4.207 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.463 5.742 3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.108 7.299 5.152 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.291 8.630 4.325 1.00 0.00 H new ATOM 755 N ILE A 53 -0.683 2.145 2.141 1.00 0.00 N ATOM 756 CA ILE A 53 -1.662 1.263 1.530 1.00 0.00 C ATOM 757 C ILE A 53 -3.052 1.892 1.644 1.00 0.00 C ATOM 758 O ILE A 53 -3.671 1.848 2.706 1.00 0.00 O ATOM 759 CB ILE A 53 -1.570 -0.140 2.134 1.00 0.00 C ATOM 760 CG1 ILE A 53 -0.183 -0.744 1.911 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.682 -1.043 1.596 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.810 -0.240 2.960 1.00 0.00 C ATOM 0 H ILE A 53 -0.989 2.586 3.008 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.454 1.142 0.467 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.715 -0.058 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.244 -1.831 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.174 -0.486 0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.593 -2.034 2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.652 -0.616 1.850 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.594 -1.123 0.513 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.788 -0.685 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.887 0.845 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.463 -0.521 3.954 1.00 0.00 H new ATOM 774 N GLY A 54 -3.500 2.464 0.536 1.00 0.00 N ATOM 775 CA GLY A 54 -4.805 3.102 0.499 1.00 0.00 C ATOM 776 C GLY A 54 -5.867 2.147 -0.050 1.00 0.00 C ATOM 777 O GLY A 54 -5.806 1.746 -1.211 1.00 0.00 O ATOM 0 H GLY A 54 -2.983 2.499 -0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.085 3.425 1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.759 3.996 -0.122 1.00 0.00 H new ATOM 781 N TYR A 55 -6.816 1.809 0.811 1.00 0.00 N ATOM 782 CA TYR A 55 -7.889 0.908 0.427 1.00 0.00 C ATOM 783 C TYR A 55 -9.257 1.525 0.729 1.00 0.00 C ATOM 784 O TYR A 55 -9.409 2.258 1.705 1.00 0.00 O ATOM 785 CB TYR A 55 -7.711 -0.349 1.280 1.00 0.00 C ATOM 786 CG TYR A 55 -7.993 -0.136 2.769 1.00 0.00 C ATOM 787 CD1 TYR A 55 -7.031 0.431 3.580 1.00 0.00 C ATOM 788 CD2 TYR A 55 -9.210 -0.510 3.301 1.00 0.00 C ATOM 789 CE1 TYR A 55 -7.297 0.631 4.981 1.00 0.00 C ATOM 790 CE2 TYR A 55 -9.476 -0.310 4.702 1.00 0.00 C ATOM 791 CZ TYR A 55 -8.506 0.251 5.473 1.00 0.00 C ATOM 792 OH TYR A 55 -8.758 0.440 6.796 1.00 0.00 O ATOM 0 H TYR A 55 -6.864 2.143 1.773 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.848 0.697 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.374 -1.128 0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.691 -0.714 1.163 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.079 0.725 3.164 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.963 -0.953 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.553 1.073 5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.424 -0.599 5.131 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.661 0.123 7.006 1.00 0.00 H new ATOM 802 N ARG A 56 -10.216 1.206 -0.127 1.00 0.00 N ATOM 803 CA ARG A 56 -11.566 1.719 0.035 1.00 0.00 C ATOM 804 C ARG A 56 -12.569 0.809 -0.676 1.00 0.00 C ATOM 805 O ARG A 56 -12.364 0.434 -1.829 1.00 0.00 O ATOM 806 CB ARG A 56 -11.687 3.137 -0.526 1.00 0.00 C ATOM 807 CG ARG A 56 -11.218 3.192 -1.981 1.00 0.00 C ATOM 808 CD ARG A 56 -12.199 3.988 -2.844 1.00 0.00 C ATOM 809 NE ARG A 56 -12.388 3.314 -4.148 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.405 3.567 -4.984 1.00 0.00 C ATOM 811 NH1 ARG A 56 -14.330 4.479 -4.657 1.00 0.00 N ATOM 812 NH2 ARG A 56 -13.496 2.907 -6.146 1.00 0.00 N ATOM 0 H ARG A 56 -10.085 0.598 -0.936 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.786 1.743 1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.723 3.471 -0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -11.093 3.823 0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.230 3.650 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.121 2.180 -2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.156 4.080 -2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.822 4.999 -2.999 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.702 2.613 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.261 4.981 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.104 4.671 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -12.792 2.212 -6.394 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.270 3.099 -6.782 1.00 0.00 H new ATOM 826 N GLU A 57 -13.633 0.480 0.042 1.00 0.00 N ATOM 827 CA GLU A 57 -14.669 -0.379 -0.506 1.00 0.00 C ATOM 828 C GLU A 57 -14.940 -0.018 -1.967 1.00 0.00 C ATOM 829 O GLU A 57 -15.239 1.133 -2.281 1.00 0.00 O ATOM 830 CB GLU A 57 -15.950 -0.293 0.327 1.00 0.00 C ATOM 831 CG GLU A 57 -16.714 -1.618 0.296 1.00 0.00 C ATOM 832 CD GLU A 57 -18.214 -1.391 0.491 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.567 -0.270 0.918 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.974 -2.342 0.210 1.00 0.00 O ATOM 0 H GLU A 57 -13.800 0.793 0.998 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.317 -1.410 -0.466 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.702 -0.036 1.357 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.585 0.506 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.539 -2.120 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.338 -2.277 1.078 1.00 0.00 H new ATOM 841 N ASN A 58 -14.826 -1.023 -2.823 1.00 0.00 N ATOM 842 CA ASN A 58 -15.055 -0.826 -4.244 1.00 0.00 C ATOM 843 C ASN A 58 -16.544 -1.002 -4.546 1.00 0.00 C ATOM 844 O ASN A 58 -16.912 -1.693 -5.495 1.00 0.00 O ATOM 845 CB ASN A 58 -14.280 -1.851 -5.074 1.00 0.00 C ATOM 846 CG ASN A 58 -14.185 -1.413 -6.537 1.00 0.00 C ATOM 847 OD1 ASN A 58 -15.018 -0.683 -7.049 1.00 0.00 O ATOM 848 ND2 ASN A 58 -13.127 -1.899 -7.180 1.00 0.00 N ATOM 0 H ASN A 58 -14.578 -1.977 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.718 0.178 -4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.278 -1.975 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.773 -2.821 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.975 -1.666 -8.161 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.468 -2.505 -6.692 1.00 0.00 H new ATOM 855 N SER A 59 -17.362 -0.365 -3.720 1.00 0.00 N ATOM 856 CA SER A 59 -18.803 -0.442 -3.887 1.00 0.00 C ATOM 857 C SER A 59 -19.293 0.718 -4.755 1.00 0.00 C ATOM 858 O SER A 59 -18.614 1.737 -4.877 1.00 0.00 O ATOM 859 CB SER A 59 -19.515 -0.429 -2.533 1.00 0.00 C ATOM 860 OG SER A 59 -19.678 -1.742 -2.002 1.00 0.00 O ATOM 0 H SER A 59 -17.054 0.207 -2.933 1.00 0.00 H new ATOM 0 HA SER A 59 -19.040 -1.383 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.945 0.178 -1.830 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.492 0.042 -2.642 1.00 0.00 H new ATOM 0 HG SER A 59 -19.886 -1.685 -1.046 1.00 0.00 H new ATOM 866 N PRO A 60 -20.498 0.520 -5.352 1.00 0.00 N ATOM 867 CA PRO A 60 -21.087 1.538 -6.206 1.00 0.00 C ATOM 868 C PRO A 60 -21.649 2.693 -5.375 1.00 0.00 C ATOM 869 O PRO A 60 -22.747 2.593 -4.829 1.00 0.00 O ATOM 870 CB PRO A 60 -22.152 0.810 -7.009 1.00 0.00 C ATOM 871 CG PRO A 60 -22.440 -0.475 -6.251 1.00 0.00 C ATOM 872 CD PRO A 60 -21.330 -0.673 -5.231 1.00 0.00 C ATOM 0 HA PRO A 60 -20.358 2.005 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -23.052 1.417 -7.105 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -21.802 0.597 -8.019 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -23.409 -0.417 -5.755 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -22.484 -1.321 -6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -21.732 -0.775 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -20.758 -1.577 -5.439 1.00 0.00 H new ATOM 880 N GLY A 61 -20.871 3.763 -5.305 1.00 0.00 N ATOM 881 CA GLY A 61 -21.278 4.936 -4.549 1.00 0.00 C ATOM 882 C GLY A 61 -20.710 4.897 -3.129 1.00 0.00 C ATOM 883 O GLY A 61 -21.446 5.061 -2.157 1.00 0.00 O ATOM 0 H GLY A 61 -19.961 3.843 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.935 5.837 -5.057 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.366 4.987 -4.508 1.00 0.00 H new ATOM 887 N SER A 62 -19.405 4.679 -3.053 1.00 0.00 N ATOM 888 CA SER A 62 -18.730 4.616 -1.768 1.00 0.00 C ATOM 889 C SER A 62 -18.260 6.013 -1.355 1.00 0.00 C ATOM 890 O SER A 62 -18.347 6.957 -2.138 1.00 0.00 O ATOM 891 CB SER A 62 -17.545 3.650 -1.814 1.00 0.00 C ATOM 892 OG SER A 62 -17.939 2.342 -2.221 1.00 0.00 O ATOM 0 H SER A 62 -18.797 4.544 -3.861 1.00 0.00 H new ATOM 0 HA SER A 62 -19.438 4.244 -1.028 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.792 4.033 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.080 3.599 -0.829 1.00 0.00 H new ATOM 0 HG SER A 62 -18.117 2.339 -3.185 1.00 0.00 H new ATOM 898 N ASN A 63 -17.773 6.099 -0.126 1.00 0.00 N ATOM 899 CA ASN A 63 -17.289 7.364 0.400 1.00 0.00 C ATOM 900 C ASN A 63 -16.290 7.973 -0.586 1.00 0.00 C ATOM 901 O ASN A 63 -16.440 9.122 -0.998 1.00 0.00 O ATOM 902 CB ASN A 63 -16.572 7.166 1.737 1.00 0.00 C ATOM 903 CG ASN A 63 -17.353 7.819 2.879 1.00 0.00 C ATOM 904 OD1 ASN A 63 -18.548 7.626 3.039 1.00 0.00 O ATOM 905 ND2 ASN A 63 -16.615 8.600 3.663 1.00 0.00 N ATOM 0 H ASN A 63 -17.703 5.313 0.521 1.00 0.00 H new ATOM 0 HA ASN A 63 -18.148 8.020 0.544 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.453 6.101 1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.571 7.595 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.044 9.080 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.620 8.718 3.473 1.00 0.00 H new ATOM 912 N GLY A 64 -15.291 7.175 -0.936 1.00 0.00 N ATOM 913 CA GLY A 64 -14.268 7.621 -1.866 1.00 0.00 C ATOM 914 C GLY A 64 -12.905 7.717 -1.177 1.00 0.00 C ATOM 915 O GLY A 64 -11.938 7.096 -1.616 1.00 0.00 O ATOM 0 H GLY A 64 -15.169 6.223 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -14.207 6.928 -2.705 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.542 8.594 -2.275 1.00 0.00 H new ATOM 919 N GLN A 65 -12.872 8.500 -0.109 1.00 0.00 N ATOM 920 CA GLN A 65 -11.644 8.686 0.645 1.00 0.00 C ATOM 921 C GLN A 65 -10.968 7.337 0.899 1.00 0.00 C ATOM 922 O GLN A 65 -11.549 6.457 1.532 1.00 0.00 O ATOM 923 CB GLN A 65 -11.914 9.420 1.960 1.00 0.00 C ATOM 924 CG GLN A 65 -12.431 10.837 1.701 1.00 0.00 C ATOM 925 CD GLN A 65 -13.947 10.911 1.893 1.00 0.00 C ATOM 926 OE1 GLN A 65 -14.585 9.985 2.366 1.00 0.00 O ATOM 927 NE2 GLN A 65 -14.486 12.062 1.502 1.00 0.00 N ATOM 0 H GLN A 65 -13.676 9.013 0.252 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.968 9.304 0.054 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.645 8.864 2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.999 9.465 2.550 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -11.941 11.536 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.174 11.142 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.894 12.797 1.114 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.491 12.210 1.590 1.00 0.00 H new ATOM 936 N TYR A 66 -9.750 7.217 0.391 1.00 0.00 N ATOM 937 CA TYR A 66 -8.989 5.991 0.554 1.00 0.00 C ATOM 938 C TYR A 66 -8.314 5.943 1.927 1.00 0.00 C ATOM 939 O TYR A 66 -7.595 6.869 2.301 1.00 0.00 O ATOM 940 CB TYR A 66 -7.910 6.016 -0.530 1.00 0.00 C ATOM 941 CG TYR A 66 -8.357 5.419 -1.866 1.00 0.00 C ATOM 942 CD1 TYR A 66 -9.163 6.151 -2.714 1.00 0.00 C ATOM 943 CD2 TYR A 66 -7.955 4.148 -2.223 1.00 0.00 C ATOM 944 CE1 TYR A 66 -9.583 5.589 -3.972 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.375 3.586 -3.480 1.00 0.00 C ATOM 946 CZ TYR A 66 -9.169 4.334 -4.293 1.00 0.00 C ATOM 947 OH TYR A 66 -9.566 3.803 -5.480 1.00 0.00 O ATOM 0 H TYR A 66 -9.272 7.949 -0.134 1.00 0.00 H new ATOM 0 HA TYR A 66 -9.641 5.122 0.474 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.595 7.047 -0.691 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -7.038 5.469 -0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.479 7.145 -2.434 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.325 3.575 -1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.213 6.152 -4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.067 2.593 -3.771 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.194 2.902 -5.576 1.00 0.00 H new ATOM 957 N SER A 67 -8.569 4.855 2.639 1.00 0.00 N ATOM 958 CA SER A 67 -7.995 4.675 3.961 1.00 0.00 C ATOM 959 C SER A 67 -6.499 4.373 3.846 1.00 0.00 C ATOM 960 O SER A 67 -6.113 3.279 3.439 1.00 0.00 O ATOM 961 CB SER A 67 -8.706 3.554 4.722 1.00 0.00 C ATOM 962 OG SER A 67 -10.118 3.740 4.749 1.00 0.00 O ATOM 0 H SER A 67 -9.165 4.089 2.325 1.00 0.00 H new ATOM 0 HA SER A 67 -8.130 5.600 4.521 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.475 2.596 4.256 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.326 3.511 5.743 1.00 0.00 H new ATOM 0 HG SER A 67 -10.536 3.003 5.242 1.00 0.00 H new ATOM 968 N ILE A 68 -5.698 5.363 4.212 1.00 0.00 N ATOM 969 CA ILE A 68 -4.254 5.217 4.155 1.00 0.00 C ATOM 970 C ILE A 68 -3.764 4.536 5.435 1.00 0.00 C ATOM 971 O ILE A 68 -4.340 4.728 6.504 1.00 0.00 O ATOM 972 CB ILE A 68 -3.589 6.568 3.883 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.921 7.069 2.477 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.080 6.494 4.125 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.439 6.079 1.414 1.00 0.00 C ATOM 0 H ILE A 68 -6.022 6.269 4.549 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.968 4.574 3.322 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.992 7.296 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.997 7.213 2.383 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.454 8.040 2.313 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.631 7.467 3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.891 6.214 5.161 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.641 5.749 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.688 6.459 0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.359 5.956 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.927 5.116 1.566 1.00 0.00 H new ATOM 987 N VAL A 69 -2.704 3.756 5.283 1.00 0.00 N ATOM 988 CA VAL A 69 -2.129 3.046 6.413 1.00 0.00 C ATOM 989 C VAL A 69 -0.606 3.022 6.274 1.00 0.00 C ATOM 990 O VAL A 69 -0.071 2.382 5.370 1.00 0.00 O ATOM 991 CB VAL A 69 -2.741 1.648 6.519 1.00 0.00 C ATOM 992 CG1 VAL A 69 -3.953 1.649 7.454 1.00 0.00 C ATOM 993 CG2 VAL A 69 -3.115 1.107 5.138 1.00 0.00 C ATOM 0 H VAL A 69 -2.228 3.600 4.394 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.362 3.560 7.345 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.989 0.985 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.369 0.643 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.645 1.972 8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.709 2.333 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.548 0.112 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.842 1.772 4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.222 1.051 4.515 1.00 0.00 H new ATOM 1003 N GLU A 70 0.051 3.728 7.183 1.00 0.00 N ATOM 1004 CA GLU A 70 1.502 3.797 7.173 1.00 0.00 C ATOM 1005 C GLU A 70 2.096 2.562 7.854 1.00 0.00 C ATOM 1006 O GLU A 70 1.629 2.148 8.914 1.00 0.00 O ATOM 1007 CB GLU A 70 1.995 5.082 7.841 1.00 0.00 C ATOM 1008 CG GLU A 70 3.395 4.891 8.430 1.00 0.00 C ATOM 1009 CD GLU A 70 3.322 4.288 9.834 1.00 0.00 C ATOM 1010 OE1 GLU A 70 2.370 4.649 10.558 1.00 0.00 O ATOM 1011 OE2 GLU A 70 4.220 3.478 10.150 1.00 0.00 O ATOM 0 H GLU A 70 -0.396 4.257 7.932 1.00 0.00 H new ATOM 0 HA GLU A 70 1.839 3.814 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.011 5.892 7.112 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.302 5.376 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.981 4.240 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.911 5.850 8.469 1.00 0.00 H new ATOM 1018 N MET A 71 3.118 2.008 7.217 1.00 0.00 N ATOM 1019 CA MET A 71 3.781 0.829 7.748 1.00 0.00 C ATOM 1020 C MET A 71 5.283 0.869 7.461 1.00 0.00 C ATOM 1021 O MET A 71 5.714 1.463 6.474 1.00 0.00 O ATOM 1022 CB MET A 71 3.173 -0.425 7.118 1.00 0.00 C ATOM 1023 CG MET A 71 3.124 -0.305 5.594 1.00 0.00 C ATOM 1024 SD MET A 71 3.101 -1.929 4.854 1.00 0.00 S ATOM 1025 CE MET A 71 4.834 -2.343 4.960 1.00 0.00 C ATOM 0 H MET A 71 3.503 2.354 6.338 1.00 0.00 H new ATOM 0 HA MET A 71 3.638 0.809 8.828 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.761 -1.299 7.399 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.166 -0.580 7.507 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.237 0.253 5.293 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.989 0.254 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.045 -3.195 4.314 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.432 -1.489 4.641 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.085 -2.598 5.990 1.00 0.00 H new ATOM 1035 N LYS A 72 6.038 0.229 8.341 1.00 0.00 N ATOM 1036 CA LYS A 72 7.483 0.183 8.194 1.00 0.00 C ATOM 1037 C LYS A 72 7.845 -0.748 7.035 1.00 0.00 C ATOM 1038 O LYS A 72 7.036 -1.581 6.628 1.00 0.00 O ATOM 1039 CB LYS A 72 8.145 -0.200 9.520 1.00 0.00 C ATOM 1040 CG LYS A 72 8.700 1.035 10.232 1.00 0.00 C ATOM 1041 CD LYS A 72 9.603 1.846 9.300 1.00 0.00 C ATOM 1042 CE LYS A 72 8.981 3.207 8.981 1.00 0.00 C ATOM 1043 NZ LYS A 72 10.014 4.266 9.000 1.00 0.00 N ATOM 0 H LYS A 72 5.677 -0.262 9.159 1.00 0.00 H new ATOM 0 HA LYS A 72 7.871 1.170 7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.419 -0.699 10.162 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.950 -0.911 9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.877 1.659 10.580 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.263 0.729 11.114 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.578 1.988 9.766 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.769 1.292 8.376 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.503 3.175 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.202 3.437 9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.581 5.178 8.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.428 4.330 9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.760 4.036 8.313 1.00 0.00 H new ATOM 1057 N ALA A 73 9.060 -0.577 6.537 1.00 0.00 N ATOM 1058 CA ALA A 73 9.539 -1.391 5.433 1.00 0.00 C ATOM 1059 C ALA A 73 10.316 -2.587 5.987 1.00 0.00 C ATOM 1060 O ALA A 73 11.212 -2.420 6.813 1.00 0.00 O ATOM 1061 CB ALA A 73 10.384 -0.531 4.492 1.00 0.00 C ATOM 0 H ALA A 73 9.728 0.114 6.878 1.00 0.00 H new ATOM 0 HA ALA A 73 8.703 -1.781 4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.743 -1.142 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.777 0.287 4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.235 -0.123 5.037 1.00 0.00 H new ATOM 1067 N THR A 74 9.946 -3.766 5.509 1.00 0.00 N ATOM 1068 CA THR A 74 10.597 -4.989 5.946 1.00 0.00 C ATOM 1069 C THR A 74 11.574 -5.484 4.878 1.00 0.00 C ATOM 1070 O THR A 74 11.681 -6.686 4.638 1.00 0.00 O ATOM 1071 CB THR A 74 9.509 -6.007 6.293 1.00 0.00 C ATOM 1072 OG1 THR A 74 8.807 -6.196 5.068 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.453 -5.435 7.242 1.00 0.00 C ATOM 0 H THR A 74 9.203 -3.900 4.823 1.00 0.00 H new ATOM 0 HA THR A 74 11.199 -4.819 6.839 1.00 0.00 H new ATOM 0 HB THR A 74 9.967 -6.887 6.746 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.084 -6.844 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.705 -6.198 7.456 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.930 -5.123 8.171 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.972 -4.576 6.775 1.00 0.00 H new ATOM 1081 N GLY A 75 12.261 -4.533 4.264 1.00 0.00 N ATOM 1082 CA GLY A 75 13.226 -4.857 3.226 1.00 0.00 C ATOM 1083 C GLY A 75 12.672 -4.522 1.840 1.00 0.00 C ATOM 1084 O GLY A 75 11.796 -3.669 1.706 1.00 0.00 O ATOM 0 H GLY A 75 12.169 -3.537 4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 75 14.149 -4.303 3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.477 -5.917 3.275 1.00 0.00 H new ATOM 1088 N ASP A 76 13.206 -5.212 0.842 1.00 0.00 N ATOM 1089 CA ASP A 76 12.777 -4.998 -0.529 1.00 0.00 C ATOM 1090 C ASP A 76 11.305 -5.393 -0.666 1.00 0.00 C ATOM 1091 O ASP A 76 10.529 -4.695 -1.317 1.00 0.00 O ATOM 1092 CB ASP A 76 13.588 -5.858 -1.501 1.00 0.00 C ATOM 1093 CG ASP A 76 14.733 -5.129 -2.208 1.00 0.00 C ATOM 1094 OD1 ASP A 76 15.007 -3.978 -1.807 1.00 0.00 O ATOM 1095 OD2 ASP A 76 15.308 -5.741 -3.135 1.00 0.00 O ATOM 0 H ASP A 76 13.932 -5.919 0.956 1.00 0.00 H new ATOM 0 HA ASP A 76 12.926 -3.945 -0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.000 -6.707 -0.955 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.913 -6.262 -2.256 1.00 0.00 H new ATOM 1100 N SER A 77 10.964 -6.510 -0.040 1.00 0.00 N ATOM 1101 CA SER A 77 9.599 -7.005 -0.083 1.00 0.00 C ATOM 1102 C SER A 77 8.847 -6.578 1.179 1.00 0.00 C ATOM 1103 O SER A 77 9.349 -6.740 2.290 1.00 0.00 O ATOM 1104 CB SER A 77 9.570 -8.528 -0.228 1.00 0.00 C ATOM 1105 OG SER A 77 10.226 -9.180 0.856 1.00 0.00 O ATOM 0 H SER A 77 11.610 -7.086 0.500 1.00 0.00 H new ATOM 0 HA SER A 77 9.107 -6.574 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.536 -8.867 -0.283 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.049 -8.812 -1.165 1.00 0.00 H new ATOM 0 HG SER A 77 10.184 -10.151 0.727 1.00 0.00 H new ATOM 1111 N GLU A 78 7.655 -6.040 0.966 1.00 0.00 N ATOM 1112 CA GLU A 78 6.829 -5.588 2.072 1.00 0.00 C ATOM 1113 C GLU A 78 5.381 -6.038 1.872 1.00 0.00 C ATOM 1114 O GLU A 78 4.896 -6.096 0.743 1.00 0.00 O ATOM 1115 CB GLU A 78 6.914 -4.068 2.235 1.00 0.00 C ATOM 1116 CG GLU A 78 8.365 -3.590 2.167 1.00 0.00 C ATOM 1117 CD GLU A 78 8.750 -3.206 0.737 1.00 0.00 C ATOM 1118 OE1 GLU A 78 8.168 -3.811 -0.189 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.618 -2.316 0.602 1.00 0.00 O ATOM 0 H GLU A 78 7.242 -5.907 0.043 1.00 0.00 H new ATOM 0 HA GLU A 78 7.206 -6.040 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.330 -3.582 1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.475 -3.776 3.189 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.500 -2.733 2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.028 -4.377 2.527 1.00 0.00 H new ATOM 1126 N VAL A 79 4.731 -6.345 2.985 1.00 0.00 N ATOM 1127 CA VAL A 79 3.348 -6.788 2.946 1.00 0.00 C ATOM 1128 C VAL A 79 2.596 -6.207 4.145 1.00 0.00 C ATOM 1129 O VAL A 79 3.184 -5.984 5.202 1.00 0.00 O ATOM 1130 CB VAL A 79 3.289 -8.316 2.887 1.00 0.00 C ATOM 1131 CG1 VAL A 79 3.919 -8.937 4.135 1.00 0.00 C ATOM 1132 CG2 VAL A 79 1.851 -8.803 2.697 1.00 0.00 C ATOM 0 H VAL A 79 5.137 -6.296 3.919 1.00 0.00 H new ATOM 0 HA VAL A 79 2.856 -6.422 2.045 1.00 0.00 H new ATOM 0 HB VAL A 79 3.868 -8.641 2.023 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.864 -10.024 4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.962 -8.630 4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.380 -8.600 5.021 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.838 -9.892 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.238 -8.462 3.531 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.451 -8.402 1.766 1.00 0.00 H new ATOM 1142 N TYR A 80 1.307 -5.978 3.941 1.00 0.00 N ATOM 1143 CA TYR A 80 0.469 -5.427 4.992 1.00 0.00 C ATOM 1144 C TYR A 80 -0.901 -6.108 5.015 1.00 0.00 C ATOM 1145 O TYR A 80 -1.560 -6.218 3.982 1.00 0.00 O ATOM 1146 CB TYR A 80 0.284 -3.947 4.652 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.189 -3.092 5.829 1.00 0.00 C ATOM 1148 CD1 TYR A 80 0.703 -2.722 6.816 1.00 0.00 C ATOM 1149 CD2 TYR A 80 -1.507 -2.691 5.905 1.00 0.00 C ATOM 1150 CE1 TYR A 80 0.257 -1.917 7.924 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -1.953 -1.887 7.013 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.049 -1.540 7.968 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.469 -0.780 9.015 1.00 0.00 O ATOM 0 H TYR A 80 0.822 -6.164 3.063 1.00 0.00 H new ATOM 0 HA TYR A 80 0.930 -5.577 5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.229 -3.549 4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.437 -3.859 3.839 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.735 -3.036 6.757 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.205 -2.980 5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.944 -1.619 8.702 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.982 -1.567 7.084 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.424 -0.585 8.915 1.00 0.00 H new ATOM 1163 N THR A 81 -1.288 -6.547 6.203 1.00 0.00 N ATOM 1164 CA THR A 81 -2.568 -7.214 6.374 1.00 0.00 C ATOM 1165 C THR A 81 -3.681 -6.186 6.585 1.00 0.00 C ATOM 1166 O THR A 81 -3.847 -5.663 7.686 1.00 0.00 O ATOM 1167 CB THR A 81 -2.432 -8.209 7.528 1.00 0.00 C ATOM 1168 OG1 THR A 81 -1.646 -9.266 6.984 1.00 0.00 O ATOM 1169 CG2 THR A 81 -3.761 -8.878 7.883 1.00 0.00 C ATOM 0 H THR A 81 -0.738 -6.454 7.057 1.00 0.00 H new ATOM 0 HA THR A 81 -2.848 -7.769 5.479 1.00 0.00 H new ATOM 0 HB THR A 81 -2.038 -7.696 8.405 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.507 -9.955 7.667 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.609 -9.574 8.708 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.484 -8.117 8.179 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.139 -9.419 7.016 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.416 -5.928 5.513 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.508 -4.972 5.568 1.00 0.00 C ATOM 1179 C LEU A 82 -6.744 -5.650 6.163 1.00 0.00 C ATOM 1180 O LEU A 82 -7.368 -6.489 5.515 1.00 0.00 O ATOM 1181 CB LEU A 82 -5.750 -4.354 4.189 1.00 0.00 C ATOM 1182 CG LEU A 82 -4.682 -3.376 3.696 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.726 -3.237 2.173 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.812 -2.023 4.398 1.00 0.00 C ATOM 0 H LEU A 82 -4.276 -6.364 4.602 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.253 -4.140 6.224 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.839 -5.161 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.708 -3.835 4.208 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.704 -3.781 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.957 -2.536 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.548 -4.209 1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.705 -2.867 1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.041 -1.346 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.795 -1.599 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.693 -2.158 5.473 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.061 -5.260 7.389 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.211 -5.820 8.078 1.00 0.00 C ATOM 1198 C ASP A 83 -9.366 -4.818 8.031 1.00 0.00 C ATOM 1199 O ASP A 83 -9.265 -3.778 7.381 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.889 -6.101 9.547 1.00 0.00 C ATOM 1201 CG ASP A 83 -6.749 -5.265 10.131 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -6.739 -4.046 9.853 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -5.913 -5.863 10.842 1.00 0.00 O ATOM 0 H ASP A 83 -6.542 -4.563 7.923 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.480 -6.753 7.582 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.787 -5.927 10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.637 -7.156 9.652 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.438 -5.165 8.728 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.611 -4.309 8.774 1.00 0.00 C ATOM 1210 C ASN A 84 -12.177 -4.152 7.361 1.00 0.00 C ATOM 1211 O ASN A 84 -12.349 -3.033 6.878 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.256 -2.916 9.299 1.00 0.00 C ATOM 1213 CG ASN A 84 -11.380 -2.857 10.823 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -12.447 -3.021 11.391 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -10.232 -2.614 11.449 1.00 0.00 N ATOM 0 H ASN A 84 -10.519 -6.028 9.266 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.340 -4.770 9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -10.239 -2.660 9.003 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.915 -2.174 8.848 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.209 -2.555 12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.375 -2.487 10.911 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.452 -5.288 6.738 1.00 0.00 N ATOM 1223 CA LEU A 85 -12.995 -5.291 5.390 1.00 0.00 C ATOM 1224 C LEU A 85 -14.418 -5.853 5.420 1.00 0.00 C ATOM 1225 O LEU A 85 -14.930 -6.201 6.483 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.059 -6.035 4.437 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.598 -5.580 4.439 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.805 -6.274 3.330 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.499 -4.056 4.346 1.00 0.00 C ATOM 0 H LEU A 85 -12.309 -6.214 7.142 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.062 -4.274 5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.089 -7.096 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.449 -5.934 3.424 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.150 -5.875 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.770 -5.932 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.835 -7.353 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.244 -6.032 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.450 -3.759 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.970 -3.716 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.006 -3.606 5.199 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.016 -5.926 4.240 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.369 -6.440 4.117 1.00 0.00 C ATOM 1243 C LYS A 86 -16.317 -7.888 3.626 1.00 0.00 C ATOM 1244 O LYS A 86 -15.351 -8.295 2.982 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.213 -5.521 3.232 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.535 -5.165 3.915 1.00 0.00 C ATOM 1247 CD LYS A 86 -19.619 -4.853 2.881 1.00 0.00 C ATOM 1248 CE LYS A 86 -20.790 -5.831 3.001 1.00 0.00 C ATOM 1249 NZ LYS A 86 -21.340 -6.147 1.664 1.00 0.00 N ATOM 0 H LYS A 86 -14.588 -5.638 3.360 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.862 -6.450 5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.656 -4.610 3.012 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.412 -6.011 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.857 -5.993 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.391 -4.304 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.977 -3.833 3.021 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -19.196 -4.908 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -20.458 -6.747 3.490 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -21.569 -5.399 3.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -22.134 -6.812 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.675 -5.273 1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.598 -6.579 1.077 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.368 -8.627 3.950 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.454 -10.022 3.550 1.00 0.00 C ATOM 1265 C LYS A 87 -17.904 -10.102 2.090 1.00 0.00 C ATOM 1266 O LYS A 87 -18.838 -9.411 1.685 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.350 -10.801 4.514 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.796 -10.752 5.939 1.00 0.00 C ATOM 1269 CD LYS A 87 -17.802 -12.142 6.578 1.00 0.00 C ATOM 1270 CE LYS A 87 -17.339 -12.079 8.035 1.00 0.00 C ATOM 1271 NZ LYS A 87 -17.243 -13.440 8.608 1.00 0.00 N ATOM 0 H LYS A 87 -18.167 -8.286 4.485 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.475 -10.497 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.357 -10.384 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.428 -11.838 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.779 -10.359 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.393 -10.068 6.542 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.806 -12.564 6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.149 -12.808 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.370 -11.584 8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.038 -11.481 8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.928 -13.379 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.175 -13.899 8.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.559 -14.000 8.060 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.220 -10.952 1.339 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.538 -11.132 -0.068 1.00 0.00 C ATOM 1287 C PHE A 88 -17.871 -9.794 -0.730 1.00 0.00 C ATOM 1288 O PHE A 88 -19.008 -9.565 -1.140 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.767 -12.041 -0.135 1.00 0.00 C ATOM 1290 CG PHE A 88 -19.037 -12.621 -1.525 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -18.007 -13.102 -2.273 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -20.306 -12.655 -2.014 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -18.257 -13.640 -3.563 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.555 -13.193 -3.304 1.00 0.00 C ATOM 1295 CZ PHE A 88 -19.526 -13.674 -4.051 1.00 0.00 C ATOM 0 H PHE A 88 -16.447 -11.524 1.678 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.684 -11.563 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.638 -12.861 0.571 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.642 -11.477 0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.999 -13.075 -1.885 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -21.124 -12.273 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -17.440 -14.022 -4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -21.562 -13.220 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.716 -14.083 -5.032 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.858 -8.944 -0.815 1.00 0.00 N ATOM 1306 CA ALA A 89 -17.028 -7.634 -1.420 1.00 0.00 C ATOM 1307 C ALA A 89 -15.716 -7.208 -2.081 1.00 0.00 C ATOM 1308 O ALA A 89 -14.637 -7.470 -1.552 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.497 -6.638 -0.358 1.00 0.00 C ATOM 0 H ALA A 89 -15.916 -9.137 -0.475 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.792 -7.666 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.624 -5.655 -0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.447 -6.971 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.754 -6.577 0.437 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.851 -6.558 -3.227 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.689 -6.093 -3.966 1.00 0.00 C ATOM 1317 C GLN A 90 -14.082 -4.866 -3.282 1.00 0.00 C ATOM 1318 O GLN A 90 -14.808 -4.002 -2.791 1.00 0.00 O ATOM 1319 CB GLN A 90 -15.051 -5.787 -5.421 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.837 -5.257 -6.187 1.00 0.00 C ATOM 1321 CD GLN A 90 -14.072 -5.322 -7.698 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -13.810 -6.319 -8.351 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -14.578 -4.206 -8.215 1.00 0.00 N ATOM 0 H GLN A 90 -16.748 -6.342 -3.663 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.943 -6.888 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.425 -6.690 -5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.855 -5.052 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.636 -4.228 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.955 -5.842 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -14.774 -3.408 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -14.770 -4.149 -9.215 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.758 -4.827 -3.273 1.00 0.00 N ATOM 1333 CA TYR A 91 -12.045 -3.720 -2.658 1.00 0.00 C ATOM 1334 C TYR A 91 -10.812 -3.338 -3.480 1.00 0.00 C ATOM 1335 O TYR A 91 -9.951 -4.177 -3.739 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.594 -4.221 -1.285 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.563 -3.884 -0.150 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.470 -2.670 0.499 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.531 -4.795 0.224 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.383 -2.354 1.567 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.443 -4.478 1.292 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.324 -3.273 1.911 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.186 -2.974 2.920 1.00 0.00 O ATOM 0 H TYR A 91 -12.160 -5.545 -3.682 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.684 -2.840 -2.592 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.464 -5.302 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.619 -3.792 -1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.713 -1.957 0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.604 -5.745 -0.284 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.321 -1.407 2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -15.205 -5.181 1.595 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.149 -2.013 3.108 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.767 -2.072 -3.866 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.654 -1.568 -4.652 1.00 0.00 C ATOM 1355 C GLY A 92 -8.696 -0.750 -3.785 1.00 0.00 C ATOM 1356 O GLY A 92 -9.075 0.288 -3.244 1.00 0.00 O ATOM 0 H GLY A 92 -11.484 -1.380 -3.649 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -9.118 -2.402 -5.106 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.030 -0.950 -5.467 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.473 -1.248 -3.678 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.457 -0.576 -2.886 1.00 0.00 C ATOM 1362 C VAL A 93 -5.207 -0.364 -3.741 1.00 0.00 C ATOM 1363 O VAL A 93 -5.039 -1.011 -4.773 1.00 0.00 O ATOM 1364 CB VAL A 93 -6.180 -1.371 -1.608 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -6.433 -2.864 -1.826 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.756 -1.124 -1.107 1.00 0.00 C ATOM 0 H VAL A 93 -7.163 -2.110 -4.127 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.806 0.408 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.871 -1.023 -0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.229 -3.406 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.473 -3.018 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.778 -3.233 -2.616 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.585 -1.701 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.043 -1.432 -1.872 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.624 -0.063 -0.894 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.361 0.546 -3.280 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.131 0.852 -3.990 1.00 0.00 C ATOM 1378 C VAL A 94 -1.947 0.721 -3.030 1.00 0.00 C ATOM 1379 O VAL A 94 -2.129 0.423 -1.851 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.228 2.236 -4.634 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.342 2.276 -5.683 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -3.434 3.321 -3.574 1.00 0.00 C ATOM 0 H VAL A 94 -4.503 1.081 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.972 0.142 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.284 2.437 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.390 3.271 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -4.135 1.542 -6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.296 2.043 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.500 4.295 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.356 3.125 -3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.593 3.317 -2.881 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.759 0.951 -3.571 1.00 0.00 N ATOM 1393 CA VAL A 95 0.454 0.863 -2.777 1.00 0.00 C ATOM 1394 C VAL A 95 1.477 1.871 -3.303 1.00 0.00 C ATOM 1395 O VAL A 95 1.597 2.067 -4.511 1.00 0.00 O ATOM 1396 CB VAL A 95 0.977 -0.575 -2.778 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.109 -0.748 -1.763 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.154 -1.570 -2.513 1.00 0.00 C ATOM 0 H VAL A 95 -0.611 1.198 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 95 0.249 1.120 -1.738 1.00 0.00 H new ATOM 0 HB VAL A 95 1.381 -0.783 -3.769 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.462 -1.779 -1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.930 -0.078 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.742 -0.511 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.245 -2.584 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.601 -1.362 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.913 -1.474 -3.290 1.00 0.00 H new ATOM 1408 N GLN A 96 2.190 2.485 -2.369 1.00 0.00 N ATOM 1409 CA GLN A 96 3.199 3.469 -2.723 1.00 0.00 C ATOM 1410 C GLN A 96 4.304 3.500 -1.666 1.00 0.00 C ATOM 1411 O GLN A 96 4.046 3.266 -0.486 1.00 0.00 O ATOM 1412 CB GLN A 96 2.574 4.854 -2.905 1.00 0.00 C ATOM 1413 CG GLN A 96 1.469 5.096 -1.875 1.00 0.00 C ATOM 1414 CD GLN A 96 0.635 6.325 -2.244 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.152 6.316 -3.176 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.853 7.380 -1.464 1.00 0.00 N ATOM 0 H GLN A 96 2.089 2.320 -1.368 1.00 0.00 H new ATOM 0 HA GLN A 96 3.643 3.179 -3.675 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.343 5.620 -2.805 1.00 0.00 H new ATOM 0 HB3 GLN A 96 2.164 4.943 -3.911 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.824 4.219 -1.815 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.911 5.235 -0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.526 7.319 -0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.347 8.250 -1.629 1.00 0.00 H new ATOM 1425 N ALA A 97 5.512 3.791 -2.127 1.00 0.00 N ATOM 1426 CA ALA A 97 6.657 3.855 -1.235 1.00 0.00 C ATOM 1427 C ALA A 97 6.823 5.289 -0.729 1.00 0.00 C ATOM 1428 O ALA A 97 6.708 6.241 -1.499 1.00 0.00 O ATOM 1429 CB ALA A 97 7.902 3.347 -1.965 1.00 0.00 C ATOM 0 H ALA A 97 5.722 3.985 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 97 6.504 3.214 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.761 3.395 -1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.744 2.315 -2.279 1.00 0.00 H new ATOM 0 HB3 ALA A 97 8.089 3.968 -2.841 1.00 0.00 H new ATOM 1435 N PHE A 98 7.092 5.399 0.564 1.00 0.00 N ATOM 1436 CA PHE A 98 7.275 6.701 1.183 1.00 0.00 C ATOM 1437 C PHE A 98 8.570 6.744 1.998 1.00 0.00 C ATOM 1438 O PHE A 98 8.832 5.848 2.800 1.00 0.00 O ATOM 1439 CB PHE A 98 6.088 6.921 2.122 1.00 0.00 C ATOM 1440 CG PHE A 98 6.219 6.208 3.469 1.00 0.00 C ATOM 1441 CD1 PHE A 98 7.061 6.696 4.418 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.492 5.085 3.716 1.00 0.00 C ATOM 1443 CE1 PHE A 98 7.183 6.033 5.668 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.614 4.422 4.967 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.456 4.911 5.916 1.00 0.00 C ATOM 0 H PHE A 98 7.188 4.607 1.200 1.00 0.00 H new ATOM 0 HA PHE A 98 7.335 7.472 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.971 7.990 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.179 6.578 1.628 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.637 7.588 4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.823 4.698 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.853 6.420 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.038 3.530 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.547 4.408 6.867 1.00 0.00 H new ATOM 1455 N ASN A 99 9.344 7.793 1.764 1.00 0.00 N ATOM 1456 CA ASN A 99 10.604 7.964 2.467 1.00 0.00 C ATOM 1457 C ASN A 99 10.612 9.324 3.168 1.00 0.00 C ATOM 1458 O ASN A 99 9.655 10.089 3.057 1.00 0.00 O ATOM 1459 CB ASN A 99 11.786 7.926 1.496 1.00 0.00 C ATOM 1460 CG ASN A 99 11.468 8.700 0.215 1.00 0.00 C ATOM 1461 OD1 ASN A 99 10.887 9.772 0.235 1.00 0.00 O ATOM 1462 ND2 ASN A 99 11.879 8.097 -0.897 1.00 0.00 N ATOM 0 H ASN A 99 9.123 8.533 1.098 1.00 0.00 H new ATOM 0 HA ASN A 99 10.702 7.151 3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.668 8.353 1.974 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.026 6.892 1.250 1.00 0.00 H new ATOM 0 HD21 ASN A 99 11.713 8.532 -1.804 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.360 7.199 -0.842 1.00 0.00 H new ATOM 1469 N ARG A 100 11.702 9.583 3.875 1.00 0.00 N ATOM 1470 CA ARG A 100 11.847 10.837 4.595 1.00 0.00 C ATOM 1471 C ARG A 100 11.912 12.008 3.612 1.00 0.00 C ATOM 1472 O ARG A 100 11.736 13.161 4.002 1.00 0.00 O ATOM 1473 CB ARG A 100 13.109 10.834 5.459 1.00 0.00 C ATOM 1474 CG ARG A 100 12.782 10.460 6.906 1.00 0.00 C ATOM 1475 CD ARG A 100 12.383 11.696 7.715 1.00 0.00 C ATOM 1476 NE ARG A 100 11.777 11.286 9.001 1.00 0.00 N ATOM 1477 CZ ARG A 100 11.564 12.116 10.030 1.00 0.00 C ATOM 1478 NH1 ARG A 100 11.907 13.408 9.931 1.00 0.00 N ATOM 1479 NH2 ARG A 100 11.009 11.656 11.159 1.00 0.00 N ATOM 0 H ARG A 100 12.493 8.946 3.965 1.00 0.00 H new ATOM 0 HA ARG A 100 10.978 10.950 5.243 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.831 10.127 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.576 11.819 5.431 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.971 9.732 6.923 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.647 9.983 7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.259 12.319 7.898 1.00 0.00 H new ATOM 0 HD3 ARG A 100 11.676 12.300 7.147 1.00 0.00 H new ATOM 0 HE ARG A 100 11.504 10.309 9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.330 13.759 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 100 11.745 14.040 10.715 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.748 10.673 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.847 12.289 11.942 1.00 0.00 H new ATOM 1493 N ALA A 101 12.166 11.672 2.356 1.00 0.00 N ATOM 1494 CA ALA A 101 12.258 12.681 1.314 1.00 0.00 C ATOM 1495 C ALA A 101 10.850 13.040 0.834 1.00 0.00 C ATOM 1496 O ALA A 101 10.622 14.144 0.342 1.00 0.00 O ATOM 1497 CB ALA A 101 13.147 12.166 0.181 1.00 0.00 C ATOM 0 H ALA A 101 12.311 10.714 2.036 1.00 0.00 H new ATOM 0 HA ALA A 101 12.718 13.591 1.700 1.00 0.00 H new ATOM 0 HB1 ALA A 101 13.216 12.923 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.143 11.953 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.716 11.255 -0.234 1.00 0.00 H new ATOM 1503 N GLY A 102 9.943 12.088 0.994 1.00 0.00 N ATOM 1504 CA GLY A 102 8.565 12.290 0.583 1.00 0.00 C ATOM 1505 C GLY A 102 7.910 10.965 0.188 1.00 0.00 C ATOM 1506 O GLY A 102 8.425 9.894 0.507 1.00 0.00 O ATOM 0 H GLY A 102 10.136 11.174 1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.003 12.749 1.396 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.531 12.982 -0.259 1.00 0.00 H new ATOM 1510 N THR A 103 6.785 11.080 -0.502 1.00 0.00 N ATOM 1511 CA THR A 103 6.054 9.904 -0.944 1.00 0.00 C ATOM 1512 C THR A 103 6.068 9.811 -2.471 1.00 0.00 C ATOM 1513 O THR A 103 6.240 10.818 -3.157 1.00 0.00 O ATOM 1514 CB THR A 103 4.645 9.972 -0.353 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.861 10.268 1.024 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.950 8.610 -0.337 1.00 0.00 C ATOM 0 H THR A 103 6.361 11.970 -0.766 1.00 0.00 H new ATOM 0 HA THR A 103 6.527 8.988 -0.589 1.00 0.00 H new ATOM 0 HB THR A 103 4.045 10.678 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.998 10.332 1.484 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.954 8.715 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.868 8.231 -1.356 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.532 7.911 0.264 1.00 0.00 H new ATOM 1524 N GLY A 104 5.885 8.593 -2.960 1.00 0.00 N ATOM 1525 CA GLY A 104 5.875 8.356 -4.393 1.00 0.00 C ATOM 1526 C GLY A 104 4.448 8.144 -4.904 1.00 0.00 C ATOM 1527 O GLY A 104 3.496 8.175 -4.125 1.00 0.00 O ATOM 0 H GLY A 104 5.743 7.760 -2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.328 9.203 -4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.482 7.481 -4.625 1.00 0.00 H new ATOM 1531 N PRO A 105 4.342 7.930 -6.242 1.00 0.00 N ATOM 1532 CA PRO A 105 3.048 7.714 -6.866 1.00 0.00 C ATOM 1533 C PRO A 105 2.521 6.309 -6.564 1.00 0.00 C ATOM 1534 O PRO A 105 3.297 5.402 -6.265 1.00 0.00 O ATOM 1535 CB PRO A 105 3.280 7.955 -8.348 1.00 0.00 C ATOM 1536 CG PRO A 105 4.781 7.840 -8.559 1.00 0.00 C ATOM 1537 CD PRO A 105 5.448 7.887 -7.194 1.00 0.00 C ATOM 0 HA PRO A 105 2.279 8.385 -6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.744 7.223 -8.951 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.918 8.939 -8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.024 6.909 -9.071 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.142 8.654 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.077 7.012 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.089 8.763 -7.096 1.00 0.00 H new ATOM 1545 N SER A 106 1.206 6.173 -6.652 1.00 0.00 N ATOM 1546 CA SER A 106 0.567 4.894 -6.392 1.00 0.00 C ATOM 1547 C SER A 106 0.784 3.950 -7.576 1.00 0.00 C ATOM 1548 O SER A 106 1.311 4.357 -8.610 1.00 0.00 O ATOM 1549 CB SER A 106 -0.928 5.071 -6.120 1.00 0.00 C ATOM 1550 OG SER A 106 -1.611 5.633 -7.238 1.00 0.00 O ATOM 0 H SER A 106 0.566 6.927 -6.900 1.00 0.00 H new ATOM 0 HA SER A 106 1.021 4.459 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.369 4.105 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.065 5.714 -5.251 1.00 0.00 H new ATOM 0 HG SER A 106 -2.563 5.729 -7.026 1.00 0.00 H new ATOM 1556 N SER A 107 0.365 2.708 -7.386 1.00 0.00 N ATOM 1557 CA SER A 107 0.507 1.703 -8.426 1.00 0.00 C ATOM 1558 C SER A 107 -0.862 1.373 -9.025 1.00 0.00 C ATOM 1559 O SER A 107 -1.893 1.658 -8.419 1.00 0.00 O ATOM 1560 CB SER A 107 1.167 0.435 -7.880 1.00 0.00 C ATOM 1561 OG SER A 107 0.214 -0.464 -7.319 1.00 0.00 O ATOM 0 H SER A 107 -0.073 2.374 -6.527 1.00 0.00 H new ATOM 0 HA SER A 107 1.151 2.108 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.709 -0.066 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.900 0.706 -7.121 1.00 0.00 H new ATOM 0 HG SER A 107 0.013 -1.173 -7.965 1.00 0.00 H new ATOM 1567 N SER A 108 -0.826 0.778 -10.208 1.00 0.00 N ATOM 1568 CA SER A 108 -2.051 0.406 -10.896 1.00 0.00 C ATOM 1569 C SER A 108 -3.059 -0.168 -9.897 1.00 0.00 C ATOM 1570 O SER A 108 -2.809 -1.205 -9.285 1.00 0.00 O ATOM 1571 CB SER A 108 -1.773 -0.605 -12.010 1.00 0.00 C ATOM 1572 OG SER A 108 -0.376 -0.781 -12.234 1.00 0.00 O ATOM 0 H SER A 108 0.032 0.544 -10.708 1.00 0.00 H new ATOM 0 HA SER A 108 -2.472 1.302 -11.353 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.222 -1.564 -11.750 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.249 -0.269 -12.931 1.00 0.00 H new ATOM 0 HG SER A 108 -0.239 -1.435 -12.951 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.176 0.532 -9.764 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.222 0.105 -8.851 1.00 0.00 C ATOM 1580 C GLU A 109 -5.571 -1.365 -9.093 1.00 0.00 C ATOM 1581 O GLU A 109 -5.843 -1.764 -10.225 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.462 0.991 -8.984 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.470 0.694 -7.872 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.797 1.412 -8.129 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.734 2.584 -8.558 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -9.844 0.772 -7.890 1.00 0.00 O ATOM 0 H GLU A 109 -4.379 1.392 -10.273 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.850 0.207 -7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.170 2.040 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.928 0.827 -9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.640 -0.381 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.061 1.010 -6.912 1.00 0.00 H new ATOM 1593 N ILE A 110 -5.551 -2.131 -8.012 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.862 -3.548 -8.093 1.00 0.00 C ATOM 1595 C ILE A 110 -7.194 -3.815 -7.390 1.00 0.00 C ATOM 1596 O ILE A 110 -7.832 -2.890 -6.890 1.00 0.00 O ATOM 1597 CB ILE A 110 -4.701 -4.383 -7.548 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -4.064 -3.708 -6.331 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -3.674 -4.676 -8.644 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.908 -4.546 -5.783 1.00 0.00 C ATOM 0 H ILE A 110 -5.324 -1.797 -7.075 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.984 -3.852 -9.133 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.097 -5.342 -7.214 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.701 -2.718 -6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.815 -3.566 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -2.860 -5.271 -8.230 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.152 -5.229 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -3.277 -3.737 -9.031 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.473 -4.044 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.279 -5.527 -5.485 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -2.147 -4.665 -6.555 1.00 0.00 H new ATOM 1612 N ASN A 111 -7.575 -5.084 -7.375 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.820 -5.484 -6.741 1.00 0.00 C ATOM 1614 C ASN A 111 -8.701 -6.931 -6.261 1.00 0.00 C ATOM 1615 O ASN A 111 -7.853 -7.681 -6.742 1.00 0.00 O ATOM 1616 CB ASN A 111 -9.989 -5.407 -7.726 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.686 -6.201 -8.999 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -9.994 -7.376 -9.116 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -9.068 -5.496 -9.942 1.00 0.00 N ATOM 0 H ASN A 111 -7.044 -5.848 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.006 -4.808 -5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -10.892 -5.797 -7.256 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.187 -4.366 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.823 -5.936 -10.829 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.839 -4.516 -9.778 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.563 -7.281 -5.317 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.565 -8.625 -4.766 1.00 0.00 C ATOM 1628 C ALA A 112 -10.781 -8.796 -3.853 1.00 0.00 C ATOM 1629 O ALA A 112 -10.738 -8.424 -2.681 1.00 0.00 O ATOM 1630 CB ALA A 112 -8.246 -8.879 -4.035 1.00 0.00 C ATOM 0 H ALA A 112 -10.265 -6.656 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.644 -9.366 -5.562 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.248 -9.888 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.416 -8.775 -4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.133 -8.156 -3.227 1.00 0.00 H new ATOM 1636 N THR A 113 -11.836 -9.358 -4.424 1.00 0.00 N ATOM 1637 CA THR A 113 -13.061 -9.582 -3.676 1.00 0.00 C ATOM 1638 C THR A 113 -12.833 -10.623 -2.579 1.00 0.00 C ATOM 1639 O THR A 113 -12.570 -11.789 -2.870 1.00 0.00 O ATOM 1640 CB THR A 113 -14.156 -9.975 -4.669 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.430 -8.771 -5.380 1.00 0.00 O ATOM 1642 CG2 THR A 113 -15.480 -10.309 -3.979 1.00 0.00 C ATOM 0 H THR A 113 -11.868 -9.665 -5.396 1.00 0.00 H new ATOM 0 HA THR A 113 -13.380 -8.677 -3.160 1.00 0.00 H new ATOM 0 HB THR A 113 -13.824 -10.833 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 113 -15.129 -8.937 -6.047 1.00 0.00 H new ATOM 0 HG21 THR A 113 -16.223 -10.581 -4.729 1.00 0.00 H new ATOM 0 HG22 THR A 113 -15.333 -11.144 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.829 -9.440 -3.421 1.00 0.00 H new ATOM 1650 N THR A 114 -12.941 -10.165 -1.340 1.00 0.00 N ATOM 1651 CA THR A 114 -12.750 -11.043 -0.198 1.00 0.00 C ATOM 1652 C THR A 114 -13.532 -12.344 -0.389 1.00 0.00 C ATOM 1653 O THR A 114 -14.515 -12.379 -1.126 1.00 0.00 O ATOM 1654 CB THR A 114 -13.150 -10.273 1.062 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.440 -9.750 0.755 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.288 -9.029 1.287 1.00 0.00 C ATOM 0 H THR A 114 -13.158 -9.197 -1.102 1.00 0.00 H new ATOM 0 HA THR A 114 -11.706 -11.340 -0.097 1.00 0.00 H new ATOM 0 HB THR A 114 -13.072 -10.930 1.928 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.770 -9.226 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 114 -12.614 -8.520 2.194 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.244 -9.324 1.392 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.391 -8.356 0.436 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.064 -13.382 0.289 1.00 0.00 N ATOM 1665 CA LEU A 115 -13.707 -14.682 0.204 1.00 0.00 C ATOM 1666 C LEU A 115 -15.214 -14.516 0.411 1.00 0.00 C ATOM 1667 O LEU A 115 -15.689 -13.415 0.685 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.057 -15.667 1.178 1.00 0.00 C ATOM 1669 CG LEU A 115 -11.589 -16.004 0.911 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.188 -15.619 -0.514 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -10.679 -15.356 1.957 1.00 0.00 C ATOM 0 H LEU A 115 -12.247 -13.349 0.899 1.00 0.00 H new ATOM 0 HA LEU A 115 -13.567 -15.112 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.138 -15.258 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -13.630 -16.594 1.163 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.465 -17.083 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.140 -15.869 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.807 -16.165 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.331 -14.548 -0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.641 -15.611 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.801 -14.273 1.924 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -10.947 -15.721 2.948 1.00 0.00 H new ATOM 1683 N GLU A 116 -15.924 -15.626 0.273 1.00 0.00 N ATOM 1684 CA GLU A 116 -17.367 -15.617 0.442 1.00 0.00 C ATOM 1685 C GLU A 116 -17.739 -16.071 1.855 1.00 0.00 C ATOM 1686 O GLU A 116 -18.915 -16.087 2.216 1.00 0.00 O ATOM 1687 CB GLU A 116 -18.048 -16.493 -0.612 1.00 0.00 C ATOM 1688 CG GLU A 116 -19.496 -16.796 -0.221 1.00 0.00 C ATOM 1689 CD GLU A 116 -20.260 -17.422 -1.390 1.00 0.00 C ATOM 1690 OE1 GLU A 116 -20.168 -16.851 -2.498 1.00 0.00 O ATOM 1691 OE2 GLU A 116 -20.918 -18.456 -1.148 1.00 0.00 O ATOM 0 H GLU A 116 -15.527 -16.538 0.046 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.723 -14.596 0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -18.026 -15.989 -1.578 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.496 -17.426 -0.727 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -19.512 -17.473 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -19.992 -15.877 0.092 1.00 0.00 H new ATOM 1698 N SER A 117 -16.715 -16.428 2.616 1.00 0.00 N ATOM 1699 CA SER A 117 -16.920 -16.880 3.981 1.00 0.00 C ATOM 1700 C SER A 117 -17.738 -18.173 3.987 1.00 0.00 C ATOM 1701 O SER A 117 -18.846 -18.212 3.455 1.00 0.00 O ATOM 1702 CB SER A 117 -17.617 -15.807 4.819 1.00 0.00 C ATOM 1703 OG SER A 117 -18.008 -16.298 6.098 1.00 0.00 O ATOM 0 H SER A 117 -15.741 -16.413 2.313 1.00 0.00 H new ATOM 0 HA SER A 117 -15.944 -17.073 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 117 -16.948 -14.956 4.947 1.00 0.00 H new ATOM 0 HB3 SER A 117 -18.496 -15.445 4.286 1.00 0.00 H new ATOM 0 HG SER A 117 -18.448 -15.582 6.603 1.00 0.00 H new ATOM 1709 N GLY A 118 -17.161 -19.199 4.596 1.00 0.00 N ATOM 1710 CA GLY A 118 -17.823 -20.489 4.678 1.00 0.00 C ATOM 1711 C GLY A 118 -17.424 -21.230 5.956 1.00 0.00 C ATOM 1712 O GLY A 118 -16.696 -20.691 6.788 1.00 0.00 O ATOM 0 H GLY A 118 -16.242 -19.162 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -18.904 -20.349 4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -17.563 -21.091 3.808 1.00 0.00 H new ATOM 1716 N PRO A 119 -17.930 -22.487 6.074 1.00 0.00 N ATOM 1717 CA PRO A 119 -17.634 -23.307 7.236 1.00 0.00 C ATOM 1718 C PRO A 119 -16.205 -23.851 7.172 1.00 0.00 C ATOM 1719 O PRO A 119 -15.954 -24.874 6.536 1.00 0.00 O ATOM 1720 CB PRO A 119 -18.688 -24.403 7.223 1.00 0.00 C ATOM 1721 CG PRO A 119 -19.245 -24.428 5.809 1.00 0.00 C ATOM 1722 CD PRO A 119 -18.795 -23.158 5.107 1.00 0.00 C ATOM 0 HA PRO A 119 -17.674 -22.745 8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -18.253 -25.366 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -19.474 -24.197 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -18.887 -25.307 5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -20.333 -24.488 5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -18.258 -23.384 4.185 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -19.646 -22.533 4.836 1.00 0.00 H new ATOM 1730 N SER A 120 -15.306 -23.144 7.841 1.00 0.00 N ATOM 1731 CA SER A 120 -13.910 -23.543 7.869 1.00 0.00 C ATOM 1732 C SER A 120 -13.479 -24.037 6.487 1.00 0.00 C ATOM 1733 O SER A 120 -13.603 -25.222 6.181 1.00 0.00 O ATOM 1734 CB SER A 120 -13.668 -24.629 8.920 1.00 0.00 C ATOM 1735 OG SER A 120 -12.412 -24.468 9.574 1.00 0.00 O ATOM 0 H SER A 120 -15.518 -22.297 8.368 1.00 0.00 H new ATOM 0 HA SER A 120 -13.311 -22.673 8.140 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.468 -24.602 9.660 1.00 0.00 H new ATOM 0 HB3 SER A 120 -13.706 -25.609 8.444 1.00 0.00 H new ATOM 0 HG SER A 120 -12.296 -25.179 10.238 1.00 0.00 H new ATOM 1741 N SER A 121 -12.982 -23.104 5.688 1.00 0.00 N ATOM 1742 CA SER A 121 -12.532 -23.430 4.345 1.00 0.00 C ATOM 1743 C SER A 121 -11.093 -23.948 4.387 1.00 0.00 C ATOM 1744 O SER A 121 -10.177 -23.217 4.759 1.00 0.00 O ATOM 1745 CB SER A 121 -12.632 -22.215 3.421 1.00 0.00 C ATOM 1746 OG SER A 121 -13.954 -21.685 3.377 1.00 0.00 O ATOM 0 H SER A 121 -12.881 -22.122 5.945 1.00 0.00 H new ATOM 0 HA SER A 121 -13.181 -24.210 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 121 -11.943 -21.442 3.762 1.00 0.00 H new ATOM 0 HB3 SER A 121 -12.321 -22.498 2.415 1.00 0.00 H new ATOM 0 HG SER A 121 -13.976 -20.910 2.778 1.00 0.00 H new ATOM 1752 N GLY A 122 -10.939 -25.206 3.999 1.00 0.00 N ATOM 1753 CA GLY A 122 -9.628 -25.830 3.987 1.00 0.00 C ATOM 1754 C GLY A 122 -9.556 -26.936 2.932 1.00 0.00 C ATOM 1755 O GLY A 122 -9.090 -26.706 1.817 1.00 0.00 O ATOM 0 H GLY A 122 -11.701 -25.809 3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -8.865 -25.078 3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -9.411 -26.246 4.971 1.00 0.00 H new TER 1759 GLY A 122