USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 673 hydrogens (6 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 NoAdj-H: A 1 PCA H1 : A 1 PCA N : cyclic :(NH2R) USER MOD NoAdj-H: A 1 PCA H3 : A 1 PCA N : cyclic :(NH2R) USER MOD Set 1.1: A 37 THR OG1 : rot -17:sc= 1.1 USER MOD Set 1.2: A 40 HIS : no HD1:sc= -0.592 X(o=0.5,f=0.88) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.2: A 67 TYR OH : rot -79:sc= 1.21 USER MOD Set 3.1: A 12 SER OG : rot -97:sc= 0.332 USER MOD Set 3.2: A 15 GLN : amide:sc= 0.134 K(o=0.47,f=-0.1) USER MOD Set 3.3: A 62 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0407) USER MOD Set 4.1: A 11 TYR OH : rot 34:sc= 0.766 USER MOD Set 4.2: A 63 SER OG : rot 180:sc= 0.722 USER MOD Set 5.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 9 THR OG1 : rot 159:sc= 0.136 USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 10 ASN : amide:sc= -0.0608 X(o=-0.061,f=0.21) USER MOD Single : A 1 PCA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 137:sc= -0.577 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00971 K(o=-0.0097,f=-0.58) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.11) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 86:sc= 0.127 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0344 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.59 K(o=-1.6,f=-5.1!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.597 K(o=-0.6,f=-3!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.251 X(o=-0.25,f=-0.55) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0568 USER MOD Single : A 90 THR OG1 : rot 34:sc= 0.826 USER MOD Single : A 91 HIS : no HD1:sc= -2.27 K(o=-2.3,f=-4.3!) USER MOD Single : A 92 THR OG1 : rot -46:sc= 0.332 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 98 ASN :FLIP amide:sc= -1.34 F(o=-2.2,f=-1.3) USER MOD Single : A 103 SER OG : rot -51:sc= 0.559 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD ----------------------------------------------------------------- HETATM 1 N PCA A 1 3.083 8.675 -6.394 1.00 0.00 N HETATM 2 CA PCA A 1 3.272 10.075 -5.981 1.00 0.00 C HETATM 3 CB PCA A 1 2.023 10.456 -5.180 1.00 0.00 C HETATM 4 CG PCA A 1 1.627 9.136 -4.520 1.00 0.00 C HETATM 5 CD PCA A 1 2.031 8.093 -5.554 1.00 0.00 C HETATM 6 OE PCA A 1 1.799 6.893 -5.427 1.00 0.00 O HETATM 7 C PCA A 1 4.545 10.221 -5.148 1.00 0.00 C HETATM 8 O PCA A 1 4.725 9.518 -4.155 1.00 0.00 O HETATM 0 H2 PCA A 1 2.214 8.594 -6.959 1.00 0.00 H new HETATM 0 HA PCA A 1 3.393 10.736 -6.839 1.00 0.00 H new HETATM 0 HB2 PCA A 1 2.236 11.229 -4.442 1.00 0.00 H new HETATM 0 HB3 PCA A 1 1.231 10.840 -5.824 1.00 0.00 H new HETATM 0 HG2 PCA A 1 2.147 8.987 -3.574 1.00 0.00 H new HETATM 0 HG3 PCA A 1 0.559 9.098 -4.306 1.00 0.00 H new ATOM 15 N SER A 2 5.421 11.145 -5.565 1.00 0.00 N ATOM 16 CA SER A 2 6.699 11.428 -4.930 1.00 0.00 C ATOM 17 C SER A 2 6.820 12.914 -4.589 1.00 0.00 C ATOM 18 O SER A 2 5.930 13.706 -4.898 1.00 0.00 O ATOM 19 CB SER A 2 7.822 10.981 -5.873 1.00 0.00 C ATOM 20 OG SER A 2 7.793 11.739 -7.063 1.00 0.00 O ATOM 0 H SER A 2 5.246 11.731 -6.381 1.00 0.00 H new ATOM 0 HA SER A 2 6.775 10.878 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.788 11.100 -5.382 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.711 9.922 -6.106 1.00 0.00 H new ATOM 0 HG SER A 2 8.516 11.445 -7.656 1.00 0.00 H new ATOM 26 N ALA A 3 7.935 13.280 -3.944 1.00 0.00 N ATOM 27 CA ALA A 3 8.252 14.643 -3.540 1.00 0.00 C ATOM 28 C ALA A 3 8.419 15.545 -4.761 1.00 0.00 C ATOM 29 O ALA A 3 8.777 15.071 -5.840 1.00 0.00 O ATOM 30 CB ALA A 3 9.547 14.629 -2.721 1.00 0.00 C ATOM 0 H ALA A 3 8.659 12.610 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 3 7.433 15.037 -2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.794 15.645 -2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.412 14.005 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.358 14.227 -3.329 1.00 0.00 H new ATOM 36 N THR A 4 8.151 16.845 -4.584 1.00 0.00 N ATOM 37 CA THR A 4 8.281 17.833 -5.639 1.00 0.00 C ATOM 38 C THR A 4 8.866 19.127 -5.089 1.00 0.00 C ATOM 39 O THR A 4 8.457 19.610 -4.035 1.00 0.00 O ATOM 40 CB THR A 4 6.954 18.060 -6.382 1.00 0.00 C ATOM 41 OG1 THR A 4 7.219 18.836 -7.529 1.00 0.00 O ATOM 42 CG2 THR A 4 5.895 18.828 -5.595 1.00 0.00 C ATOM 0 H THR A 4 7.836 17.234 -3.695 1.00 0.00 H new ATOM 0 HA THR A 4 8.978 17.445 -6.381 1.00 0.00 H new ATOM 0 HB THR A 4 6.561 17.064 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.723 18.472 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.997 18.937 -6.203 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.652 18.282 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.279 19.815 -5.335 1.00 0.00 H new ATOM 50 N THR A 5 9.843 19.670 -5.820 1.00 0.00 N ATOM 51 CA THR A 5 10.535 20.889 -5.532 1.00 0.00 C ATOM 52 C THR A 5 10.043 21.848 -6.612 1.00 0.00 C ATOM 53 O THR A 5 10.454 21.764 -7.769 1.00 0.00 O ATOM 54 CB THR A 5 12.033 20.555 -5.556 1.00 0.00 C ATOM 55 OG1 THR A 5 12.417 20.102 -4.274 1.00 0.00 O ATOM 56 CG2 THR A 5 12.884 21.742 -5.969 1.00 0.00 C ATOM 0 H THR A 5 10.178 19.229 -6.676 1.00 0.00 H new ATOM 0 HA THR A 5 10.357 21.352 -4.561 1.00 0.00 H new ATOM 0 HB THR A 5 12.197 19.777 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.372 19.884 -4.277 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.935 21.453 -5.970 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.596 22.066 -6.969 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.733 22.560 -5.265 1.00 0.00 H new ATOM 64 N CYS A 6 9.135 22.752 -6.226 1.00 0.00 N ATOM 65 CA CYS A 6 8.574 23.749 -7.118 1.00 0.00 C ATOM 66 C CYS A 6 9.483 24.976 -7.085 1.00 0.00 C ATOM 67 O CYS A 6 9.122 26.025 -6.550 1.00 0.00 O ATOM 68 CB CYS A 6 7.126 24.056 -6.725 1.00 0.00 C ATOM 69 SG CYS A 6 5.854 22.881 -7.290 1.00 0.00 S ATOM 0 H CYS A 6 8.772 22.805 -5.274 1.00 0.00 H new ATOM 0 HA CYS A 6 8.532 23.385 -8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.075 24.115 -5.638 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.872 25.043 -7.111 1.00 0.00 H new ATOM 74 N GLY A 7 10.676 24.811 -7.668 1.00 0.00 N ATOM 75 CA GLY A 7 11.708 25.826 -7.750 1.00 0.00 C ATOM 76 C GLY A 7 12.384 25.983 -6.392 1.00 0.00 C ATOM 77 O GLY A 7 13.445 25.405 -6.157 1.00 0.00 O ATOM 0 H GLY A 7 10.949 23.932 -8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.445 25.549 -8.504 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.274 26.776 -8.063 1.00 0.00 H new ATOM 81 N SER A 8 11.751 26.762 -5.509 1.00 0.00 N ATOM 82 CA SER A 8 12.227 27.067 -4.168 1.00 0.00 C ATOM 83 C SER A 8 11.431 26.321 -3.091 1.00 0.00 C ATOM 84 O SER A 8 12.031 25.710 -2.208 1.00 0.00 O ATOM 85 CB SER A 8 12.175 28.586 -3.954 1.00 0.00 C ATOM 86 OG SER A 8 10.867 29.086 -4.143 1.00 0.00 O ATOM 0 H SER A 8 10.860 27.211 -5.723 1.00 0.00 H new ATOM 0 HA SER A 8 13.257 26.724 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.516 28.826 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.858 29.077 -4.647 1.00 0.00 H new ATOM 0 HG SER A 8 10.863 30.055 -3.999 1.00 0.00 H new ATOM 92 N THR A 9 10.092 26.353 -3.160 1.00 0.00 N ATOM 93 CA THR A 9 9.230 25.709 -2.174 1.00 0.00 C ATOM 94 C THR A 9 9.246 24.183 -2.318 1.00 0.00 C ATOM 95 O THR A 9 8.647 23.629 -3.239 1.00 0.00 O ATOM 96 CB THR A 9 7.808 26.291 -2.239 1.00 0.00 C ATOM 97 OG1 THR A 9 7.863 27.693 -2.411 1.00 0.00 O ATOM 98 CG2 THR A 9 7.038 26.002 -0.942 1.00 0.00 C ATOM 0 H THR A 9 9.582 26.828 -3.904 1.00 0.00 H new ATOM 0 HA THR A 9 9.626 25.924 -1.181 1.00 0.00 H new ATOM 0 HB THR A 9 7.299 25.823 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.014 28.010 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.035 26.424 -1.013 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.969 24.925 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.563 26.452 -0.099 1.00 0.00 H new ATOM 106 N ASN A 10 9.938 23.517 -1.383 1.00 0.00 N ATOM 107 CA ASN A 10 10.087 22.068 -1.320 1.00 0.00 C ATOM 108 C ASN A 10 8.862 21.431 -0.663 1.00 0.00 C ATOM 109 O ASN A 10 8.235 22.042 0.201 1.00 0.00 O ATOM 110 CB ASN A 10 11.368 21.742 -0.538 1.00 0.00 C ATOM 111 CG ASN A 10 11.627 20.238 -0.427 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.289 19.657 -1.283 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.111 19.607 0.631 1.00 0.00 N ATOM 0 H ASN A 10 10.425 23.996 -0.625 1.00 0.00 H new ATOM 0 HA ASN A 10 10.165 21.658 -2.327 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.218 22.218 -1.027 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.296 22.169 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.261 18.605 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 10 10.567 20.127 1.319 1.00 0.00 H new ATOM 120 N TYR A 11 8.528 20.203 -1.085 1.00 0.00 N ATOM 121 CA TYR A 11 7.409 19.433 -0.567 1.00 0.00 C ATOM 122 C TYR A 11 7.747 17.941 -0.621 1.00 0.00 C ATOM 123 O TYR A 11 8.131 17.434 -1.672 1.00 0.00 O ATOM 124 CB TYR A 11 6.147 19.676 -1.405 1.00 0.00 C ATOM 125 CG TYR A 11 5.621 21.097 -1.479 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.847 21.628 -0.427 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.896 21.890 -2.609 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.344 22.940 -0.512 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.394 23.198 -2.693 1.00 0.00 C ATOM 130 CZ TYR A 11 4.611 23.720 -1.649 1.00 0.00 C ATOM 131 OH TYR A 11 4.109 24.985 -1.729 1.00 0.00 O ATOM 0 H TYR A 11 9.047 19.714 -1.814 1.00 0.00 H new ATOM 0 HA TYR A 11 7.225 19.747 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.347 19.338 -2.422 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.353 19.043 -1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.640 21.027 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.495 21.491 -3.414 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.754 23.346 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.610 23.804 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 11 4.082 25.383 -0.834 1.00 0.00 H new ATOM 141 N SER A 12 7.595 17.243 0.511 1.00 0.00 N ATOM 142 CA SER A 12 7.831 15.810 0.652 1.00 0.00 C ATOM 143 C SER A 12 6.752 15.022 -0.061 1.00 0.00 C ATOM 144 O SER A 12 5.677 15.548 -0.341 1.00 0.00 O ATOM 145 CB SER A 12 7.914 15.445 2.137 1.00 0.00 C ATOM 146 OG SER A 12 6.708 15.759 2.788 1.00 0.00 O ATOM 0 H SER A 12 7.294 17.680 1.382 1.00 0.00 H new ATOM 0 HA SER A 12 8.782 15.551 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.127 14.381 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.738 15.984 2.605 1.00 0.00 H new ATOM 0 HG SER A 12 6.792 16.629 3.231 1.00 0.00 H new ATOM 152 N ALA A 13 7.058 13.752 -0.363 1.00 0.00 N ATOM 153 CA ALA A 13 6.115 12.843 -0.992 1.00 0.00 C ATOM 154 C ALA A 13 4.885 12.742 -0.083 1.00 0.00 C ATOM 155 O ALA A 13 3.812 12.354 -0.540 1.00 0.00 O ATOM 156 CB ALA A 13 6.766 11.467 -1.155 1.00 0.00 C ATOM 0 H ALA A 13 7.969 13.335 -0.174 1.00 0.00 H new ATOM 0 HA ALA A 13 5.824 13.206 -1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.060 10.784 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.656 11.557 -1.779 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.047 11.079 -0.176 1.00 0.00 H new ATOM 162 N SER A 14 5.061 13.112 1.199 1.00 0.00 N ATOM 163 CA SER A 14 4.004 13.080 2.199 1.00 0.00 C ATOM 164 C SER A 14 3.083 14.288 2.004 1.00 0.00 C ATOM 165 O SER A 14 1.873 14.172 2.182 1.00 0.00 O ATOM 166 CB SER A 14 4.613 13.037 3.605 1.00 0.00 C ATOM 167 OG SER A 14 3.594 12.934 4.576 1.00 0.00 O ATOM 0 H SER A 14 5.954 13.443 1.563 1.00 0.00 H new ATOM 0 HA SER A 14 3.403 12.179 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.292 12.189 3.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.203 13.936 3.781 1.00 0.00 H new ATOM 0 HG SER A 14 3.995 12.906 5.470 1.00 0.00 H new ATOM 173 N GLN A 15 3.653 15.442 1.630 1.00 0.00 N ATOM 174 CA GLN A 15 2.930 16.681 1.384 1.00 0.00 C ATOM 175 C GLN A 15 2.136 16.604 0.082 1.00 0.00 C ATOM 176 O GLN A 15 0.986 17.040 0.041 1.00 0.00 O ATOM 177 CB GLN A 15 3.883 17.888 1.394 1.00 0.00 C ATOM 178 CG GLN A 15 3.944 18.603 2.751 1.00 0.00 C ATOM 179 CD GLN A 15 4.622 17.792 3.853 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.762 18.076 4.216 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.928 16.790 4.399 1.00 0.00 N ATOM 0 H GLN A 15 4.659 15.534 1.488 1.00 0.00 H new ATOM 0 HA GLN A 15 2.216 16.821 2.195 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.884 17.554 1.122 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.566 18.599 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.476 19.546 2.629 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.930 18.848 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.984 16.585 4.071 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.342 16.230 5.144 1.00 0.00 H new ATOM 190 N VAL A 16 2.744 16.044 -0.972 1.00 0.00 N ATOM 191 CA VAL A 16 2.094 15.895 -2.267 1.00 0.00 C ATOM 192 C VAL A 16 0.866 14.987 -2.082 1.00 0.00 C ATOM 193 O VAL A 16 -0.216 15.305 -2.571 1.00 0.00 O ATOM 194 CB VAL A 16 3.052 15.353 -3.340 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.367 15.396 -4.703 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.294 16.247 -3.426 1.00 0.00 C ATOM 0 H VAL A 16 3.698 15.684 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 16 1.778 16.873 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 16 3.329 14.333 -3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.046 15.012 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.467 14.782 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.098 16.425 -4.943 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.970 15.859 -4.188 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.995 17.261 -3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.802 16.258 -2.462 1.00 0.00 H new ATOM 206 N ARG A 17 1.046 13.866 -1.360 1.00 0.00 N ATOM 207 CA ARG A 17 0.006 12.883 -1.071 1.00 0.00 C ATOM 208 C ARG A 17 -1.093 13.428 -0.159 1.00 0.00 C ATOM 209 O ARG A 17 -2.266 13.153 -0.400 1.00 0.00 O ATOM 210 CB ARG A 17 0.607 11.655 -0.367 1.00 0.00 C ATOM 211 CG ARG A 17 1.071 10.565 -1.336 1.00 0.00 C ATOM 212 CD ARG A 17 1.613 9.372 -0.540 1.00 0.00 C ATOM 213 NE ARG A 17 1.667 8.157 -1.359 1.00 0.00 N ATOM 214 CZ ARG A 17 2.308 7.025 -1.026 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.807 6.855 0.207 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.453 6.061 -1.947 1.00 0.00 N ATOM 0 H ARG A 17 1.948 13.619 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.427 12.622 -2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.453 11.973 0.243 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.135 11.235 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.241 10.248 -1.968 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.844 10.956 -1.997 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.611 9.605 -0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.981 9.197 0.330 1.00 0.00 H new ATOM 0 HE ARG A 17 1.178 8.173 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.702 7.591 0.906 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.292 5.990 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.079 6.193 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.938 5.196 -1.708 1.00 0.00 H new ATOM 230 N ALA A 18 -0.727 14.193 0.877 1.00 0.00 N ATOM 231 CA ALA A 18 -1.684 14.734 1.835 1.00 0.00 C ATOM 232 C ALA A 18 -2.668 15.665 1.132 1.00 0.00 C ATOM 233 O ALA A 18 -3.883 15.491 1.228 1.00 0.00 O ATOM 234 CB ALA A 18 -0.937 15.455 2.959 1.00 0.00 C ATOM 0 H ALA A 18 0.241 14.451 1.070 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.258 13.918 2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.655 15.858 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.276 14.752 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.346 16.269 2.539 1.00 0.00 H new ATOM 240 N ALA A 19 -2.116 16.644 0.412 1.00 0.00 N ATOM 241 CA ALA A 19 -2.884 17.622 -0.338 1.00 0.00 C ATOM 242 C ALA A 19 -3.734 16.947 -1.411 1.00 0.00 C ATOM 243 O ALA A 19 -4.822 17.431 -1.718 1.00 0.00 O ATOM 244 CB ALA A 19 -1.931 18.637 -0.961 1.00 0.00 C ATOM 0 H ALA A 19 -1.107 16.776 0.337 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.565 18.136 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.502 19.374 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.369 19.139 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.240 18.124 -1.630 1.00 0.00 H new ATOM 250 N ALA A 20 -3.244 15.833 -1.978 1.00 0.00 N ATOM 251 CA ALA A 20 -3.971 15.111 -3.006 1.00 0.00 C ATOM 252 C ALA A 20 -5.182 14.388 -2.457 1.00 0.00 C ATOM 253 O ALA A 20 -6.275 14.524 -3.006 1.00 0.00 O ATOM 254 CB ALA A 20 -3.040 14.198 -3.808 1.00 0.00 C ATOM 0 H ALA A 20 -2.344 15.421 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.366 15.848 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.615 13.671 -4.570 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.266 14.798 -4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.575 13.474 -3.139 1.00 0.00 H new ATOM 260 N ASN A 21 -4.996 13.634 -1.374 1.00 0.00 N ATOM 261 CA ASN A 21 -6.095 12.936 -0.734 1.00 0.00 C ATOM 262 C ASN A 21 -7.107 13.980 -0.242 1.00 0.00 C ATOM 263 O ASN A 21 -8.290 13.663 -0.084 1.00 0.00 O ATOM 264 CB ASN A 21 -5.562 12.122 0.453 1.00 0.00 C ATOM 265 CG ASN A 21 -4.528 11.073 0.042 1.00 0.00 C ATOM 266 OD1 ASN A 21 -4.494 10.633 -1.105 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.672 10.680 0.986 1.00 0.00 N ATOM 0 H ASN A 21 -4.090 13.495 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.575 12.256 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.114 12.800 1.180 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.396 11.627 0.951 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.954 9.989 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.735 11.071 1.926 1.00 0.00 H new ATOM 274 N ALA A 22 -6.652 15.231 -0.030 1.00 0.00 N ATOM 275 CA ALA A 22 -7.533 16.266 0.483 1.00 0.00 C ATOM 276 C ALA A 22 -8.456 16.639 -0.661 1.00 0.00 C ATOM 277 O ALA A 22 -9.632 16.287 -0.622 1.00 0.00 O ATOM 278 CB ALA A 22 -6.759 17.459 1.050 1.00 0.00 C ATOM 0 H ALA A 22 -5.694 15.533 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.113 15.906 1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.461 18.205 1.421 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.121 17.123 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.143 17.899 0.266 1.00 0.00 H new ATOM 284 N ALA A 23 -7.916 17.335 -1.669 1.00 0.00 N ATOM 285 CA ALA A 23 -8.648 17.739 -2.861 1.00 0.00 C ATOM 286 C ALA A 23 -9.622 16.659 -3.337 1.00 0.00 C ATOM 287 O ALA A 23 -10.757 16.989 -3.663 1.00 0.00 O ATOM 288 CB ALA A 23 -7.680 18.036 -3.999 1.00 0.00 C ATOM 0 H ALA A 23 -6.941 17.635 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.215 18.630 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.240 18.337 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.008 18.842 -3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.098 17.142 -4.224 1.00 0.00 H new ATOM 294 N CYS A 24 -9.185 15.386 -3.368 1.00 0.00 N ATOM 295 CA CYS A 24 -10.033 14.279 -3.787 1.00 0.00 C ATOM 296 C CYS A 24 -11.324 14.207 -2.962 1.00 0.00 C ATOM 297 O CYS A 24 -12.415 14.178 -3.531 1.00 0.00 O ATOM 298 CB CYS A 24 -9.360 12.911 -3.628 1.00 0.00 C ATOM 299 SG CYS A 24 -8.024 12.464 -4.752 1.00 0.00 S ATOM 0 H CYS A 24 -8.240 15.108 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.236 14.482 -4.839 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.970 12.851 -2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -10.135 12.150 -3.717 1.00 0.00 H new ATOM 304 N GLN A 25 -11.189 14.189 -1.625 1.00 0.00 N ATOM 305 CA GLN A 25 -12.310 14.083 -0.699 1.00 0.00 C ATOM 306 C GLN A 25 -13.346 15.183 -0.911 1.00 0.00 C ATOM 307 O GLN A 25 -14.543 14.910 -0.846 1.00 0.00 O ATOM 308 CB GLN A 25 -11.813 14.080 0.755 1.00 0.00 C ATOM 309 CG GLN A 25 -11.178 12.736 1.134 1.00 0.00 C ATOM 310 CD GLN A 25 -10.546 12.789 2.524 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.325 12.872 2.650 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.375 12.736 3.569 1.00 0.00 N ATOM 0 H GLN A 25 -10.283 14.249 -1.159 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.805 13.134 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.084 14.879 0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.646 14.291 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.936 11.953 1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.419 12.470 0.398 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.382 12.667 3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.002 12.764 4.518 1.00 0.00 H new ATOM 321 N TYR A 26 -12.884 16.412 -1.172 1.00 0.00 N ATOM 322 CA TYR A 26 -13.782 17.555 -1.370 1.00 0.00 C ATOM 323 C TYR A 26 -14.227 17.762 -2.834 1.00 0.00 C ATOM 324 O TYR A 26 -15.207 18.468 -3.068 1.00 0.00 O ATOM 325 CB TYR A 26 -13.212 18.818 -0.695 1.00 0.00 C ATOM 326 CG TYR A 26 -12.874 18.632 0.784 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.635 18.098 1.166 1.00 0.00 C ATOM 328 CD2 TYR A 26 -13.792 18.987 1.787 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.320 17.897 2.520 1.00 0.00 C ATOM 330 CE2 TYR A 26 -13.489 18.792 3.144 1.00 0.00 C ATOM 331 CZ TYR A 26 -12.257 18.232 3.512 1.00 0.00 C ATOM 332 OH TYR A 26 -11.969 18.028 4.831 1.00 0.00 O ATOM 0 H TYR A 26 -11.893 16.640 -1.251 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.718 17.320 -0.864 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.312 19.127 -1.227 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.935 19.628 -0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.912 17.837 0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -14.744 19.416 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.361 17.486 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.204 19.073 3.903 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.728 18.316 5.380 1.00 0.00 H new ATOM 342 N TYR A 27 -13.540 17.152 -3.814 1.00 0.00 N ATOM 343 CA TYR A 27 -13.857 17.248 -5.244 1.00 0.00 C ATOM 344 C TYR A 27 -14.995 16.324 -5.689 1.00 0.00 C ATOM 345 O TYR A 27 -15.651 16.616 -6.688 1.00 0.00 O ATOM 346 CB TYR A 27 -12.612 16.932 -6.097 1.00 0.00 C ATOM 347 CG TYR A 27 -12.850 16.970 -7.601 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.155 18.192 -8.233 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.780 15.786 -8.369 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.392 18.225 -9.618 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.010 15.824 -9.755 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.326 17.044 -10.379 1.00 0.00 C ATOM 353 OH TYR A 27 -13.556 17.092 -11.724 1.00 0.00 O ATOM 0 H TYR A 27 -12.728 16.564 -3.626 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.187 18.275 -5.398 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.826 17.645 -5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.243 15.943 -5.825 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.207 19.102 -7.654 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.549 14.847 -7.888 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.626 19.162 -10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.944 14.918 -10.340 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.471 16.192 -12.103 1.00 0.00 H new ATOM 363 N GLN A 28 -15.251 15.228 -4.961 1.00 0.00 N ATOM 364 CA GLN A 28 -16.279 14.255 -5.313 1.00 0.00 C ATOM 365 C GLN A 28 -17.678 14.865 -5.354 1.00 0.00 C ATOM 366 O GLN A 28 -18.494 14.441 -6.171 1.00 0.00 O ATOM 367 CB GLN A 28 -16.221 13.054 -4.366 1.00 0.00 C ATOM 368 CG GLN A 28 -15.044 12.141 -4.732 1.00 0.00 C ATOM 369 CD GLN A 28 -14.791 11.101 -3.647 1.00 0.00 C ATOM 370 OE1 GLN A 28 -15.094 9.921 -3.823 1.00 0.00 O ATOM 371 NE2 GLN A 28 -14.227 11.543 -2.521 1.00 0.00 N ATOM 0 H GLN A 28 -14.744 14.996 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.068 13.912 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.116 13.399 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.155 12.494 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.250 11.640 -5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.147 12.742 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -13.994 12.531 -2.421 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.029 10.893 -1.760 1.00 0.00 H new ATOM 380 N ASN A 29 -17.951 15.849 -4.489 1.00 0.00 N ATOM 381 CA ASN A 29 -19.238 16.525 -4.438 1.00 0.00 C ATOM 382 C ASN A 29 -19.010 18.032 -4.556 1.00 0.00 C ATOM 383 O ASN A 29 -19.054 18.576 -5.657 1.00 0.00 O ATOM 384 CB ASN A 29 -19.989 16.110 -3.163 1.00 0.00 C ATOM 385 CG ASN A 29 -21.237 16.954 -2.909 1.00 0.00 C ATOM 386 OD1 ASN A 29 -21.332 17.628 -1.884 1.00 0.00 O ATOM 387 ND2 ASN A 29 -22.190 16.928 -3.844 1.00 0.00 N ATOM 0 H ASN A 29 -17.278 16.195 -3.805 1.00 0.00 H new ATOM 0 HA ASN A 29 -19.873 16.232 -5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.275 15.061 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.318 16.195 -2.308 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -23.038 17.482 -3.723 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -22.070 16.355 -4.679 1.00 0.00 H new ATOM 394 N ASP A 30 -18.757 18.671 -3.410 1.00 0.00 N ATOM 395 CA ASP A 30 -18.532 20.098 -3.199 1.00 0.00 C ATOM 396 C ASP A 30 -18.593 20.307 -1.687 1.00 0.00 C ATOM 397 O ASP A 30 -19.416 21.060 -1.169 1.00 0.00 O ATOM 398 CB ASP A 30 -19.570 20.960 -3.943 1.00 0.00 C ATOM 399 CG ASP A 30 -19.479 22.457 -3.641 1.00 0.00 C ATOM 400 OD1 ASP A 30 -18.350 22.934 -3.391 1.00 0.00 O ATOM 401 OD2 ASP A 30 -20.550 23.101 -3.662 1.00 0.00 O ATOM 0 H ASP A 30 -18.700 18.155 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.568 20.410 -3.601 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.448 20.810 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.569 20.609 -3.684 1.00 0.00 H new ATOM 406 N ASP A 31 -17.704 19.609 -0.979 1.00 0.00 N ATOM 407 CA ASP A 31 -17.600 19.684 0.469 1.00 0.00 C ATOM 408 C ASP A 31 -16.783 20.918 0.862 1.00 0.00 C ATOM 409 O ASP A 31 -16.353 21.678 -0.007 1.00 0.00 O ATOM 410 CB ASP A 31 -17.097 18.342 1.019 1.00 0.00 C ATOM 411 CG ASP A 31 -18.023 17.197 0.625 1.00 0.00 C ATOM 412 OD1 ASP A 31 -19.015 16.984 1.356 1.00 0.00 O ATOM 413 OD2 ASP A 31 -17.716 16.554 -0.401 1.00 0.00 O ATOM 0 H ASP A 31 -17.032 18.971 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 31 -18.573 19.832 0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.093 18.146 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -17.025 18.396 2.105 1.00 0.00 H new ATOM 418 N THR A 32 -16.566 21.118 2.169 1.00 0.00 N ATOM 419 CA THR A 32 -15.845 22.276 2.675 1.00 0.00 C ATOM 420 C THR A 32 -14.342 22.348 2.379 1.00 0.00 C ATOM 421 O THR A 32 -13.499 21.927 3.169 1.00 0.00 O ATOM 422 CB THR A 32 -16.242 22.616 4.116 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.598 23.806 4.521 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.933 21.498 5.105 1.00 0.00 C ATOM 0 H THR A 32 -16.887 20.479 2.897 1.00 0.00 H new ATOM 0 HA THR A 32 -16.197 23.098 2.052 1.00 0.00 H new ATOM 0 HB THR A 32 -17.324 22.749 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.856 24.020 5.442 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.238 21.803 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.477 20.598 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.863 21.293 5.099 1.00 0.00 H new ATOM 432 N ALA A 33 -14.041 22.909 1.204 1.00 0.00 N ATOM 433 CA ALA A 33 -12.712 23.168 0.665 1.00 0.00 C ATOM 434 C ALA A 33 -12.657 24.652 0.300 1.00 0.00 C ATOM 435 O ALA A 33 -13.470 25.436 0.792 1.00 0.00 O ATOM 436 CB ALA A 33 -12.457 22.240 -0.523 1.00 0.00 C ATOM 0 H ALA A 33 -14.774 23.214 0.563 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.921 22.961 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.463 22.432 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.521 21.203 -0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -13.205 22.423 -1.295 1.00 0.00 H new ATOM 442 N GLY A 34 -11.692 25.035 -0.545 1.00 0.00 N ATOM 443 CA GLY A 34 -11.511 26.404 -1.026 1.00 0.00 C ATOM 444 C GLY A 34 -12.853 27.005 -1.454 1.00 0.00 C ATOM 445 O GLY A 34 -13.194 28.112 -1.043 1.00 0.00 O ATOM 0 H GLY A 34 -11.001 24.385 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.066 27.015 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.818 26.411 -1.867 1.00 0.00 H new ATOM 449 N SER A 35 -13.603 26.251 -2.271 1.00 0.00 N ATOM 450 CA SER A 35 -14.928 26.588 -2.779 1.00 0.00 C ATOM 451 C SER A 35 -15.026 28.010 -3.342 1.00 0.00 C ATOM 452 O SER A 35 -15.928 28.761 -2.976 1.00 0.00 O ATOM 453 CB SER A 35 -15.971 26.322 -1.681 1.00 0.00 C ATOM 454 OG SER A 35 -15.864 24.996 -1.208 1.00 0.00 O ATOM 0 H SER A 35 -13.279 25.345 -2.609 1.00 0.00 H new ATOM 0 HA SER A 35 -15.132 25.944 -3.634 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.827 27.021 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.973 26.495 -2.074 1.00 0.00 H new ATOM 0 HG SER A 35 -15.182 24.953 -0.505 1.00 0.00 H new ATOM 460 N SER A 36 -14.088 28.378 -4.223 1.00 0.00 N ATOM 461 CA SER A 36 -14.048 29.678 -4.871 1.00 0.00 C ATOM 462 C SER A 36 -13.556 29.469 -6.300 1.00 0.00 C ATOM 463 O SER A 36 -14.215 29.874 -7.256 1.00 0.00 O ATOM 464 CB SER A 36 -13.150 30.628 -4.071 1.00 0.00 C ATOM 465 OG SER A 36 -11.859 30.084 -3.888 1.00 0.00 O ATOM 0 H SER A 36 -13.325 27.763 -4.505 1.00 0.00 H new ATOM 0 HA SER A 36 -15.035 30.139 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.074 31.583 -4.591 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.603 30.828 -3.100 1.00 0.00 H new ATOM 0 HG SER A 36 -11.309 30.713 -3.376 1.00 0.00 H new ATOM 471 N THR A 37 -12.394 28.820 -6.422 1.00 0.00 N ATOM 472 CA THR A 37 -11.743 28.489 -7.678 1.00 0.00 C ATOM 473 C THR A 37 -10.831 27.252 -7.507 1.00 0.00 C ATOM 474 O THR A 37 -9.947 27.021 -8.325 1.00 0.00 O ATOM 475 CB THR A 37 -11.067 29.760 -8.246 1.00 0.00 C ATOM 476 OG1 THR A 37 -10.149 29.475 -9.280 1.00 0.00 O ATOM 477 CG2 THR A 37 -10.392 30.611 -7.164 1.00 0.00 C ATOM 0 H THR A 37 -11.865 28.501 -5.610 1.00 0.00 H new ATOM 0 HA THR A 37 -12.463 28.179 -8.435 1.00 0.00 H new ATOM 0 HB THR A 37 -11.883 30.344 -8.671 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.909 28.525 -9.252 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.936 31.488 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.137 30.929 -6.434 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.623 30.022 -6.664 1.00 0.00 H new ATOM 485 N TYR A 38 -11.047 26.446 -6.453 1.00 0.00 N ATOM 486 CA TYR A 38 -10.313 25.223 -6.131 1.00 0.00 C ATOM 487 C TYR A 38 -11.144 24.488 -5.066 1.00 0.00 C ATOM 488 O TYR A 38 -11.529 25.113 -4.078 1.00 0.00 O ATOM 489 CB TYR A 38 -8.910 25.504 -5.544 1.00 0.00 C ATOM 490 CG TYR A 38 -8.053 26.558 -6.226 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.206 27.901 -5.845 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.115 26.222 -7.228 1.00 0.00 C ATOM 493 CE1 TYR A 38 -7.441 28.904 -6.457 1.00 0.00 C ATOM 494 CE2 TYR A 38 -6.353 27.231 -7.844 1.00 0.00 C ATOM 495 CZ TYR A 38 -6.518 28.574 -7.465 1.00 0.00 C ATOM 496 OH TYR A 38 -5.780 29.550 -8.068 1.00 0.00 O ATOM 0 H TYR A 38 -11.778 26.646 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.168 24.644 -7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.036 25.798 -4.502 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.353 24.567 -5.546 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.917 28.163 -5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.983 25.191 -7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -7.561 29.933 -6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.638 26.973 -8.611 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.192 29.147 -8.740 1.00 0.00 H new ATOM 506 N PRO A 39 -11.452 23.190 -5.222 1.00 0.00 N ATOM 507 CA PRO A 39 -11.109 22.341 -6.345 1.00 0.00 C ATOM 508 C PRO A 39 -12.083 22.572 -7.507 1.00 0.00 C ATOM 509 O PRO A 39 -13.290 22.662 -7.291 1.00 0.00 O ATOM 510 CB PRO A 39 -11.229 20.919 -5.801 1.00 0.00 C ATOM 511 CG PRO A 39 -12.382 21.030 -4.803 1.00 0.00 C ATOM 512 CD PRO A 39 -12.215 22.441 -4.237 1.00 0.00 C ATOM 0 HA PRO A 39 -10.112 22.545 -6.737 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.447 20.201 -6.592 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.308 20.592 -5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.349 20.902 -5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.314 20.272 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.185 22.906 -4.061 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.695 22.416 -3.279 1.00 0.00 H new ATOM 520 N HIS A 40 -11.562 22.678 -8.736 1.00 0.00 N ATOM 521 CA HIS A 40 -12.378 22.872 -9.929 1.00 0.00 C ATOM 522 C HIS A 40 -11.653 22.327 -11.159 1.00 0.00 C ATOM 523 O HIS A 40 -10.428 22.220 -11.161 1.00 0.00 O ATOM 524 CB HIS A 40 -12.819 24.338 -10.093 1.00 0.00 C ATOM 525 CG HIS A 40 -11.787 25.296 -10.637 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.146 26.440 -11.336 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.413 25.319 -10.602 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.013 27.069 -11.689 1.00 0.00 C ATOM 529 NE2 HIS A 40 -9.918 26.433 -11.275 1.00 0.00 N ATOM 0 H HIS A 40 -10.561 22.631 -8.925 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.300 22.302 -9.814 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.687 24.361 -10.752 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.147 24.706 -9.121 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -9.800 24.573 -10.118 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -10.992 27.992 -12.249 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -8.944 26.700 -11.418 1.00 0.00 H new ATOM 537 N THR A 41 -12.425 21.979 -12.194 1.00 0.00 N ATOM 538 CA THR A 41 -11.934 21.427 -13.451 1.00 0.00 C ATOM 539 C THR A 41 -11.049 22.418 -14.215 1.00 0.00 C ATOM 540 O THR A 41 -11.152 23.627 -14.006 1.00 0.00 O ATOM 541 CB THR A 41 -13.116 20.934 -14.298 1.00 0.00 C ATOM 542 OG1 THR A 41 -12.653 20.233 -15.434 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.983 22.106 -14.749 1.00 0.00 C ATOM 0 H THR A 41 -13.440 22.079 -12.174 1.00 0.00 H new ATOM 0 HA THR A 41 -11.294 20.575 -13.223 1.00 0.00 H new ATOM 0 HB THR A 41 -13.714 20.265 -13.679 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.418 19.924 -15.962 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.815 21.734 -15.348 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.371 22.629 -13.875 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.384 22.793 -15.347 1.00 0.00 H new ATOM 551 N TYR A 42 -10.190 21.902 -15.111 1.00 0.00 N ATOM 552 CA TYR A 42 -9.286 22.707 -15.935 1.00 0.00 C ATOM 553 C TYR A 42 -10.012 23.195 -17.198 1.00 0.00 C ATOM 554 O TYR A 42 -9.475 23.141 -18.302 1.00 0.00 O ATOM 555 CB TYR A 42 -7.984 21.927 -16.224 1.00 0.00 C ATOM 556 CG TYR A 42 -6.712 22.747 -16.051 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.499 23.909 -16.817 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.737 22.353 -15.113 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.328 24.668 -16.643 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.559 23.100 -14.951 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.353 24.260 -15.716 1.00 0.00 C ATOM 562 OH TYR A 42 -3.214 24.995 -15.553 1.00 0.00 O ATOM 0 H TYR A 42 -10.107 20.900 -15.282 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.985 23.603 -15.392 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.938 21.062 -15.562 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.021 21.546 -17.245 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.238 24.219 -17.541 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.897 21.469 -14.514 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.177 25.567 -17.223 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.812 22.783 -14.239 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.648 24.574 -14.873 1.00 0.00 H new ATOM 572 N ASN A 43 -11.247 23.687 -17.008 1.00 0.00 N ATOM 573 CA ASN A 43 -12.142 24.213 -18.026 1.00 0.00 C ATOM 574 C ASN A 43 -12.249 23.280 -19.238 1.00 0.00 C ATOM 575 O ASN A 43 -12.641 22.124 -19.086 1.00 0.00 O ATOM 576 CB ASN A 43 -11.741 25.656 -18.369 1.00 0.00 C ATOM 577 CG ASN A 43 -11.695 26.536 -17.121 1.00 0.00 C ATOM 578 OD1 ASN A 43 -12.736 26.906 -16.585 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.486 26.863 -16.654 1.00 0.00 N ATOM 0 H ASN A 43 -11.664 23.726 -16.078 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.157 24.252 -17.631 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.764 25.658 -18.853 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.452 26.072 -19.083 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.401 27.443 -15.819 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.648 26.533 -17.132 1.00 0.00 H new ATOM 586 N ASN A 44 -11.908 23.785 -20.431 1.00 0.00 N ATOM 587 CA ASN A 44 -11.950 23.075 -21.701 1.00 0.00 C ATOM 588 C ASN A 44 -10.687 23.411 -22.496 1.00 0.00 C ATOM 589 O ASN A 44 -9.824 24.153 -22.025 1.00 0.00 O ATOM 590 CB ASN A 44 -13.205 23.515 -22.472 1.00 0.00 C ATOM 591 CG ASN A 44 -14.492 23.080 -21.774 1.00 0.00 C ATOM 592 OD1 ASN A 44 -15.054 23.832 -20.981 1.00 0.00 O ATOM 593 ND2 ASN A 44 -14.965 21.869 -22.078 1.00 0.00 N ATOM 0 H ASN A 44 -11.581 24.746 -20.534 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.991 21.998 -21.540 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -13.201 24.600 -22.581 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.178 23.094 -23.477 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -15.826 21.535 -21.646 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -14.465 21.278 -22.742 1.00 0.00 H new ATOM 600 N TYR A 45 -10.582 22.843 -23.704 1.00 0.00 N ATOM 601 CA TYR A 45 -9.477 23.045 -24.630 1.00 0.00 C ATOM 602 C TYR A 45 -8.177 22.444 -24.074 1.00 0.00 C ATOM 603 O TYR A 45 -8.216 21.391 -23.438 1.00 0.00 O ATOM 604 CB TYR A 45 -9.395 24.536 -25.023 1.00 0.00 C ATOM 605 CG TYR A 45 -8.821 24.895 -26.389 1.00 0.00 C ATOM 606 CD1 TYR A 45 -8.135 23.961 -27.194 1.00 0.00 C ATOM 607 CD2 TYR A 45 -8.997 26.210 -26.860 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.635 24.343 -28.451 1.00 0.00 C ATOM 609 CE2 TYR A 45 -8.501 26.589 -28.118 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.826 25.653 -28.919 1.00 0.00 C ATOM 611 OH TYR A 45 -7.351 26.017 -30.145 1.00 0.00 O ATOM 0 H TYR A 45 -11.293 22.209 -24.070 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.652 22.501 -25.558 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.402 24.950 -24.967 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.798 25.046 -24.267 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.994 22.949 -26.843 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.517 26.933 -26.249 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.102 23.627 -29.059 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.639 27.601 -28.470 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.569 26.957 -30.315 1.00 0.00 H new ATOM 621 N GLU A 46 -7.038 23.112 -24.302 1.00 0.00 N ATOM 622 CA GLU A 46 -5.714 22.681 -23.879 1.00 0.00 C ATOM 623 C GLU A 46 -5.049 23.804 -23.081 1.00 0.00 C ATOM 624 O GLU A 46 -4.628 24.805 -23.659 1.00 0.00 O ATOM 625 CB GLU A 46 -4.901 22.326 -25.135 1.00 0.00 C ATOM 626 CG GLU A 46 -5.446 21.063 -25.819 1.00 0.00 C ATOM 627 CD GLU A 46 -4.774 20.831 -27.170 1.00 0.00 C ATOM 628 OE1 GLU A 46 -3.613 20.365 -27.156 1.00 0.00 O ATOM 629 OE2 GLU A 46 -5.431 21.125 -28.192 1.00 0.00 O ATOM 0 H GLU A 46 -7.021 23.999 -24.805 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.773 21.803 -23.236 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.928 23.161 -25.835 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.857 22.172 -24.863 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.282 20.199 -25.175 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.523 21.158 -25.957 1.00 0.00 H new ATOM 636 N GLY A 47 -4.958 23.628 -21.754 1.00 0.00 N ATOM 637 CA GLY A 47 -4.374 24.586 -20.826 1.00 0.00 C ATOM 638 C GLY A 47 -3.365 23.879 -19.927 1.00 0.00 C ATOM 639 O GLY A 47 -3.741 23.343 -18.885 1.00 0.00 O ATOM 0 H GLY A 47 -5.302 22.787 -21.291 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.885 25.389 -21.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.156 25.045 -20.221 1.00 0.00 H new ATOM 643 N PHE A 48 -2.088 23.892 -20.336 1.00 0.00 N ATOM 644 CA PHE A 48 -0.969 23.263 -19.639 1.00 0.00 C ATOM 645 C PHE A 48 -1.311 21.808 -19.326 1.00 0.00 C ATOM 646 O PHE A 48 -1.442 21.418 -18.168 1.00 0.00 O ATOM 647 CB PHE A 48 -0.565 24.072 -18.394 1.00 0.00 C ATOM 648 CG PHE A 48 0.875 23.836 -17.978 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.889 24.639 -18.531 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.209 22.821 -17.059 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.229 24.432 -18.169 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.552 22.616 -16.699 1.00 0.00 C ATOM 653 CZ PHE A 48 3.561 23.422 -17.252 1.00 0.00 C ATOM 0 H PHE A 48 -1.801 24.361 -21.195 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.092 23.259 -20.286 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.711 25.134 -18.594 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.225 23.810 -17.567 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.636 25.417 -19.236 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.434 22.202 -16.632 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.005 25.050 -18.596 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.809 21.837 -15.996 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.592 23.265 -16.972 1.00 0.00 H new ATOM 663 N ASP A 49 -1.465 21.006 -20.381 1.00 0.00 N ATOM 664 CA ASP A 49 -1.822 19.606 -20.254 1.00 0.00 C ATOM 665 C ASP A 49 -0.684 18.757 -19.697 1.00 0.00 C ATOM 666 O ASP A 49 0.495 19.074 -19.848 1.00 0.00 O ATOM 667 CB ASP A 49 -2.338 19.068 -21.592 1.00 0.00 C ATOM 668 CG ASP A 49 -3.567 19.847 -22.054 1.00 0.00 C ATOM 669 OD1 ASP A 49 -3.357 20.931 -22.640 1.00 0.00 O ATOM 670 OD2 ASP A 49 -4.689 19.356 -21.805 1.00 0.00 O ATOM 0 H ASP A 49 -1.344 21.316 -21.345 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.627 19.536 -19.522 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.553 19.140 -22.345 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.588 18.012 -21.492 1.00 0.00 H new ATOM 675 N PHE A 50 -1.093 17.661 -19.053 1.00 0.00 N ATOM 676 CA PHE A 50 -0.269 16.661 -18.397 1.00 0.00 C ATOM 677 C PHE A 50 -0.321 15.368 -19.223 1.00 0.00 C ATOM 678 O PHE A 50 -1.202 15.243 -20.074 1.00 0.00 O ATOM 679 CB PHE A 50 -0.876 16.457 -17.002 1.00 0.00 C ATOM 680 CG PHE A 50 -0.753 17.657 -16.080 1.00 0.00 C ATOM 681 CD1 PHE A 50 -1.702 18.695 -16.141 1.00 0.00 C ATOM 682 CD2 PHE A 50 0.304 17.730 -15.154 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.594 19.800 -15.281 1.00 0.00 C ATOM 684 CE2 PHE A 50 0.409 18.836 -14.293 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.542 19.869 -14.355 1.00 0.00 C ATOM 0 H PHE A 50 -2.086 17.439 -18.975 1.00 0.00 H new ATOM 0 HA PHE A 50 0.775 16.961 -18.312 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.931 16.206 -17.112 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.392 15.602 -16.531 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.515 18.641 -16.850 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.035 16.936 -15.105 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.321 20.597 -15.332 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.221 18.892 -13.583 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.463 20.716 -13.690 1.00 0.00 H new ATOM 695 N PRO A 51 0.602 14.408 -19.012 1.00 0.00 N ATOM 696 CA PRO A 51 0.628 13.132 -19.726 1.00 0.00 C ATOM 697 C PRO A 51 -0.436 12.154 -19.191 1.00 0.00 C ATOM 698 O PRO A 51 -0.128 11.017 -18.837 1.00 0.00 O ATOM 699 CB PRO A 51 2.062 12.620 -19.531 1.00 0.00 C ATOM 700 CG PRO A 51 2.406 13.122 -18.129 1.00 0.00 C ATOM 701 CD PRO A 51 1.721 14.488 -18.085 1.00 0.00 C ATOM 0 HA PRO A 51 0.380 13.237 -20.782 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.117 11.533 -19.598 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.742 13.021 -20.283 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.028 12.454 -17.355 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.483 13.204 -17.981 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.376 14.719 -17.077 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.412 15.280 -18.375 1.00 0.00 H new ATOM 709 N VAL A 52 -1.696 12.610 -19.151 1.00 0.00 N ATOM 710 CA VAL A 52 -2.886 11.910 -18.683 1.00 0.00 C ATOM 711 C VAL A 52 -4.107 12.529 -19.379 1.00 0.00 C ATOM 712 O VAL A 52 -3.986 13.562 -20.037 1.00 0.00 O ATOM 713 CB VAL A 52 -3.024 12.019 -17.149 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.866 11.354 -16.395 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.141 13.479 -16.698 1.00 0.00 C ATOM 0 H VAL A 52 -1.920 13.552 -19.472 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.810 10.850 -18.927 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.941 11.484 -16.901 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.020 11.464 -15.322 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.827 10.295 -16.649 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.927 11.830 -16.677 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.237 13.518 -15.613 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.250 14.027 -17.004 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.020 13.932 -17.156 1.00 0.00 H new ATOM 725 N ASP A 53 -5.283 11.905 -19.223 1.00 0.00 N ATOM 726 CA ASP A 53 -6.534 12.364 -19.817 1.00 0.00 C ATOM 727 C ASP A 53 -7.272 13.276 -18.821 1.00 0.00 C ATOM 728 O ASP A 53 -6.646 14.157 -18.231 1.00 0.00 O ATOM 729 CB ASP A 53 -7.336 11.136 -20.284 1.00 0.00 C ATOM 730 CG ASP A 53 -8.489 11.500 -21.220 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.191 11.963 -22.342 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.649 11.308 -20.794 1.00 0.00 O ATOM 0 H ASP A 53 -5.387 11.054 -18.671 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.365 12.977 -20.702 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.666 10.443 -20.793 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.732 10.614 -19.413 1.00 0.00 H new ATOM 737 N GLY A 54 -8.584 13.087 -18.621 1.00 0.00 N ATOM 738 CA GLY A 54 -9.383 13.896 -17.715 1.00 0.00 C ATOM 739 C GLY A 54 -10.880 13.664 -17.955 1.00 0.00 C ATOM 740 O GLY A 54 -11.250 12.607 -18.465 1.00 0.00 O ATOM 0 H GLY A 54 -9.118 12.358 -19.093 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.133 13.649 -16.683 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.146 14.950 -17.857 1.00 0.00 H new ATOM 744 N PRO A 55 -11.761 14.618 -17.589 1.00 0.00 N ATOM 745 CA PRO A 55 -11.477 15.896 -16.936 1.00 0.00 C ATOM 746 C PRO A 55 -10.636 15.748 -15.670 1.00 0.00 C ATOM 747 O PRO A 55 -10.696 14.720 -15.001 1.00 0.00 O ATOM 748 CB PRO A 55 -12.839 16.517 -16.618 1.00 0.00 C ATOM 749 CG PRO A 55 -13.750 15.903 -17.675 1.00 0.00 C ATOM 750 CD PRO A 55 -13.193 14.486 -17.800 1.00 0.00 C ATOM 0 HA PRO A 55 -10.881 16.527 -17.596 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -13.169 16.271 -15.609 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.814 17.604 -16.689 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -14.794 15.904 -17.362 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -13.700 16.445 -18.620 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.640 13.821 -17.061 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.409 14.063 -18.781 1.00 0.00 H new ATOM 758 N TYR A 56 -9.860 16.787 -15.343 1.00 0.00 N ATOM 759 CA TYR A 56 -8.974 16.814 -14.193 1.00 0.00 C ATOM 760 C TYR A 56 -9.093 18.127 -13.411 1.00 0.00 C ATOM 761 O TYR A 56 -9.351 19.175 -14.000 1.00 0.00 O ATOM 762 CB TYR A 56 -7.570 16.499 -14.713 1.00 0.00 C ATOM 763 CG TYR A 56 -6.924 17.508 -15.637 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.328 17.622 -16.983 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.900 18.331 -15.145 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.706 18.557 -17.828 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.275 19.258 -15.992 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.670 19.369 -17.335 1.00 0.00 C ATOM 769 OH TYR A 56 -5.052 20.270 -18.152 1.00 0.00 O ATOM 0 H TYR A 56 -9.836 17.648 -15.889 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.248 16.062 -13.453 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.915 16.364 -13.852 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.611 15.543 -15.235 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -8.116 16.990 -17.365 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.593 18.251 -14.113 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.024 18.652 -18.856 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.486 19.889 -15.610 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.361 20.748 -17.648 1.00 0.00 H new ATOM 779 N GLN A 57 -8.888 18.050 -12.086 1.00 0.00 N ATOM 780 CA GLN A 57 -8.996 19.157 -11.136 1.00 0.00 C ATOM 781 C GLN A 57 -7.675 19.736 -10.622 1.00 0.00 C ATOM 782 O GLN A 57 -6.662 19.045 -10.546 1.00 0.00 O ATOM 783 CB GLN A 57 -9.870 18.713 -9.953 1.00 0.00 C ATOM 784 CG GLN A 57 -9.297 17.514 -9.170 1.00 0.00 C ATOM 785 CD GLN A 57 -8.802 17.891 -7.775 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.444 17.565 -6.779 1.00 0.00 O ATOM 787 NE2 GLN A 57 -7.656 18.569 -7.693 1.00 0.00 N ATOM 0 H GLN A 57 -8.631 17.173 -11.633 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.447 19.976 -11.696 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.996 19.554 -9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.861 18.452 -10.324 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.065 16.745 -9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.474 17.078 -9.736 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.151 18.822 -8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.285 18.834 -6.781 1.00 0.00 H new ATOM 796 N GLU A 58 -7.730 21.026 -10.260 1.00 0.00 N ATOM 797 CA GLU A 58 -6.648 21.844 -9.723 1.00 0.00 C ATOM 798 C GLU A 58 -6.877 22.025 -8.222 1.00 0.00 C ATOM 799 O GLU A 58 -8.021 22.098 -7.786 1.00 0.00 O ATOM 800 CB GLU A 58 -6.678 23.222 -10.399 1.00 0.00 C ATOM 801 CG GLU A 58 -6.499 23.151 -11.918 1.00 0.00 C ATOM 802 CD GLU A 58 -7.817 22.905 -12.639 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.570 23.891 -12.780 1.00 0.00 O ATOM 804 OE2 GLU A 58 -8.045 21.744 -13.037 1.00 0.00 O ATOM 0 H GLU A 58 -8.597 21.557 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.687 21.364 -9.906 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.626 23.710 -10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.890 23.845 -9.975 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.060 24.082 -12.275 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.798 22.353 -12.163 1.00 0.00 H new ATOM 811 N PHE A 59 -5.800 22.106 -7.430 1.00 0.00 N ATOM 812 CA PHE A 59 -5.872 22.292 -5.988 1.00 0.00 C ATOM 813 C PHE A 59 -4.519 22.825 -5.535 1.00 0.00 C ATOM 814 O PHE A 59 -3.516 22.156 -5.749 1.00 0.00 O ATOM 815 CB PHE A 59 -6.198 20.957 -5.333 1.00 0.00 C ATOM 816 CG PHE A 59 -6.557 21.072 -3.869 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.838 21.527 -3.502 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.621 20.726 -2.878 1.00 0.00 C ATOM 819 CE1 PHE A 59 -8.191 21.620 -2.146 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.976 20.818 -1.524 1.00 0.00 C ATOM 821 CZ PHE A 59 -7.263 21.254 -1.157 1.00 0.00 C ATOM 0 H PHE A 59 -4.846 22.043 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.652 22.998 -5.704 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.028 20.493 -5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.341 20.292 -5.437 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.550 21.805 -4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.633 20.391 -3.158 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.173 21.972 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.259 20.553 -0.761 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.537 21.307 -0.114 1.00 0.00 H new ATOM 831 N PRO A 60 -4.428 23.994 -4.891 1.00 0.00 N ATOM 832 CA PRO A 60 -3.145 24.537 -4.539 1.00 0.00 C ATOM 833 C PRO A 60 -2.518 23.837 -3.343 1.00 0.00 C ATOM 834 O PRO A 60 -3.233 23.431 -2.426 1.00 0.00 O ATOM 835 CB PRO A 60 -3.395 26.026 -4.421 1.00 0.00 C ATOM 836 CG PRO A 60 -4.779 26.065 -3.773 1.00 0.00 C ATOM 837 CD PRO A 60 -5.483 24.866 -4.423 1.00 0.00 C ATOM 0 HA PRO A 60 -2.368 24.362 -5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.642 26.519 -3.806 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.385 26.520 -5.393 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -4.723 25.964 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -5.298 27.001 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.124 24.354 -3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.120 25.187 -5.248 1.00 0.00 H new ATOM 845 N ILE A 61 -1.180 23.709 -3.353 1.00 0.00 N ATOM 846 CA ILE A 61 -0.467 23.027 -2.295 1.00 0.00 C ATOM 847 C ILE A 61 -0.275 23.853 -1.052 1.00 0.00 C ATOM 848 O ILE A 61 -0.344 25.082 -1.014 1.00 0.00 O ATOM 849 CB ILE A 61 0.796 22.317 -2.796 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.743 21.552 -1.850 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.610 23.143 -3.786 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.160 20.213 -1.405 1.00 0.00 C ATOM 0 H ILE A 61 -0.581 24.076 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.126 22.226 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 61 0.268 21.489 -3.270 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.695 21.382 -2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.950 22.165 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.488 22.577 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.998 23.372 -4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.926 24.072 -3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.864 19.712 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.221 20.382 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.978 19.587 -2.279 1.00 0.00 H new ATOM 864 N LYS A 62 -0.029 23.030 -0.049 1.00 0.00 N ATOM 865 CA LYS A 62 0.146 23.386 1.343 1.00 0.00 C ATOM 866 C LYS A 62 1.558 23.394 1.912 1.00 0.00 C ATOM 867 O LYS A 62 2.235 22.368 1.948 1.00 0.00 O ATOM 868 CB LYS A 62 -0.775 22.491 2.176 1.00 0.00 C ATOM 869 CG LYS A 62 -0.473 20.991 2.032 1.00 0.00 C ATOM 870 CD LYS A 62 -0.026 20.374 3.360 1.00 0.00 C ATOM 871 CE LYS A 62 -0.019 18.850 3.250 1.00 0.00 C ATOM 872 NZ LYS A 62 0.535 18.226 4.462 1.00 0.00 N ATOM 0 H LYS A 62 0.060 22.025 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.116 24.442 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.687 22.771 3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.809 22.675 1.882 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.362 20.474 1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.306 20.847 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.970 20.733 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.697 20.686 4.160 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.035 18.491 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.569 18.549 2.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.620 17.200 4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.474 18.627 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.097 18.410 5.267 1.00 0.00 H new ATOM 886 N SER A 63 1.970 24.586 2.367 1.00 0.00 N ATOM 887 CA SER A 63 3.251 24.858 2.993 1.00 0.00 C ATOM 888 C SER A 63 2.990 25.037 4.493 1.00 0.00 C ATOM 889 O SER A 63 3.520 25.956 5.116 1.00 0.00 O ATOM 890 CB SER A 63 3.890 26.104 2.367 1.00 0.00 C ATOM 891 OG SER A 63 4.154 25.883 1.002 1.00 0.00 O ATOM 0 H SER A 63 1.384 25.419 2.301 1.00 0.00 H new ATOM 0 HA SER A 63 3.954 24.039 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.224 26.959 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.815 26.348 2.889 1.00 0.00 H new ATOM 0 HG SER A 63 4.560 26.686 0.613 1.00 0.00 H new ATOM 897 N GLY A 64 2.159 24.145 5.058 1.00 0.00 N ATOM 898 CA GLY A 64 1.769 24.144 6.464 1.00 0.00 C ATOM 899 C GLY A 64 0.260 24.039 6.728 1.00 0.00 C ATOM 900 O GLY A 64 -0.121 23.919 7.891 1.00 0.00 O ATOM 0 H GLY A 64 1.732 23.386 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.267 23.311 6.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.139 25.059 6.927 1.00 0.00 H new ATOM 904 N GLY A 65 -0.609 24.083 5.704 1.00 0.00 N ATOM 905 CA GLY A 65 -2.050 23.974 5.922 1.00 0.00 C ATOM 906 C GLY A 65 -2.847 23.869 4.620 1.00 0.00 C ATOM 907 O GLY A 65 -2.604 24.633 3.685 1.00 0.00 O ATOM 0 H GLY A 65 -0.336 24.192 4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.253 23.097 6.537 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.394 24.843 6.482 1.00 0.00 H new ATOM 911 N VAL A 66 -3.805 22.929 4.570 1.00 0.00 N ATOM 912 CA VAL A 66 -4.657 22.657 3.417 1.00 0.00 C ATOM 913 C VAL A 66 -5.974 23.438 3.530 1.00 0.00 C ATOM 914 O VAL A 66 -6.520 23.556 4.625 1.00 0.00 O ATOM 915 CB VAL A 66 -4.955 21.145 3.331 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.230 20.754 1.873 1.00 0.00 C ATOM 917 CG2 VAL A 66 -3.840 20.226 3.843 1.00 0.00 C ATOM 0 H VAL A 66 -4.009 22.320 5.363 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.135 22.975 2.514 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.817 20.999 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.440 19.686 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.089 21.313 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.356 20.985 1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.149 19.186 3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.933 20.395 3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.644 20.442 4.893 1.00 0.00 H new ATOM 927 N TYR A 67 -6.479 23.953 2.396 1.00 0.00 N ATOM 928 CA TYR A 67 -7.718 24.719 2.241 1.00 0.00 C ATOM 929 C TYR A 67 -7.991 25.725 3.369 1.00 0.00 C ATOM 930 O TYR A 67 -9.055 25.705 3.985 1.00 0.00 O ATOM 931 CB TYR A 67 -8.918 23.806 1.906 1.00 0.00 C ATOM 932 CG TYR A 67 -9.339 22.805 2.971 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.667 21.575 3.088 1.00 0.00 C ATOM 934 CD2 TYR A 67 -10.411 23.089 3.840 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.041 20.651 4.078 1.00 0.00 C ATOM 936 CE2 TYR A 67 -10.785 22.168 4.832 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.093 20.951 4.958 1.00 0.00 C ATOM 938 OH TYR A 67 -10.445 20.062 5.930 1.00 0.00 O ATOM 0 H TYR A 67 -5.996 23.835 1.505 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.566 25.359 1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.775 24.441 1.680 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.681 23.254 0.996 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.858 21.339 2.412 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.948 24.021 3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.519 19.709 4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -11.604 22.395 5.498 1.00 0.00 H new ATOM 0 HH TYR A 67 -10.998 19.353 5.540 1.00 0.00 H new ATOM 948 N THR A 68 -7.026 26.614 3.635 1.00 0.00 N ATOM 949 CA THR A 68 -7.113 27.661 4.649 1.00 0.00 C ATOM 950 C THR A 68 -6.619 28.980 4.044 1.00 0.00 C ATOM 951 O THR A 68 -6.023 29.804 4.737 1.00 0.00 O ATOM 952 CB THR A 68 -6.329 27.257 5.915 1.00 0.00 C ATOM 953 OG1 THR A 68 -5.061 26.731 5.571 1.00 0.00 O ATOM 954 CG2 THR A 68 -7.108 26.246 6.763 1.00 0.00 C ATOM 0 H THR A 68 -6.138 26.621 3.133 1.00 0.00 H new ATOM 0 HA THR A 68 -8.148 27.799 4.961 1.00 0.00 H new ATOM 0 HB THR A 68 -6.188 28.158 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.578 26.482 6.387 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.524 25.985 7.646 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.057 26.685 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.298 25.348 6.175 1.00 0.00 H new ATOM 962 N GLY A 69 -6.882 29.184 2.743 1.00 0.00 N ATOM 963 CA GLY A 69 -6.477 30.367 2.001 1.00 0.00 C ATOM 964 C GLY A 69 -4.968 30.593 2.099 1.00 0.00 C ATOM 965 O GLY A 69 -4.211 29.644 2.314 1.00 0.00 O ATOM 0 H GLY A 69 -7.394 28.510 2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.764 30.259 0.955 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -7.004 31.240 2.387 1.00 0.00 H new ATOM 969 N GLY A 70 -4.544 31.854 1.937 1.00 0.00 N ATOM 970 CA GLY A 70 -3.154 32.281 2.014 1.00 0.00 C ATOM 971 C GLY A 70 -2.216 31.395 1.198 1.00 0.00 C ATOM 972 O GLY A 70 -1.484 30.587 1.769 1.00 0.00 O ATOM 0 H GLY A 70 -5.185 32.623 1.743 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.075 33.309 1.660 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.835 32.277 3.056 1.00 0.00 H new ATOM 976 N SER A 71 -2.243 31.548 -0.132 1.00 0.00 N ATOM 977 CA SER A 71 -1.401 30.791 -1.050 1.00 0.00 C ATOM 978 C SER A 71 0.078 30.959 -0.673 1.00 0.00 C ATOM 979 O SER A 71 0.456 32.057 -0.265 1.00 0.00 O ATOM 980 CB SER A 71 -1.633 31.300 -2.478 1.00 0.00 C ATOM 981 OG SER A 71 -2.983 31.130 -2.849 1.00 0.00 O ATOM 0 H SER A 71 -2.860 32.211 -0.601 1.00 0.00 H new ATOM 0 HA SER A 71 -1.659 29.734 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 71 -1.361 32.354 -2.544 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.988 30.761 -3.172 1.00 0.00 H new ATOM 0 HG SER A 71 -3.116 31.461 -3.762 1.00 0.00 H new ATOM 987 N PRO A 72 0.921 29.915 -0.807 1.00 0.00 N ATOM 988 CA PRO A 72 2.363 30.015 -0.621 1.00 0.00 C ATOM 989 C PRO A 72 2.925 31.241 -1.343 1.00 0.00 C ATOM 990 O PRO A 72 3.647 32.039 -0.749 1.00 0.00 O ATOM 991 CB PRO A 72 2.945 28.707 -1.162 1.00 0.00 C ATOM 992 CG PRO A 72 1.813 27.714 -0.919 1.00 0.00 C ATOM 993 CD PRO A 72 0.557 28.551 -1.162 1.00 0.00 C ATOM 0 HA PRO A 72 2.629 30.149 0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.198 28.783 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.856 28.420 -0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.869 26.865 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.840 27.313 0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.239 28.488 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.274 28.196 -0.553 1.00 0.00 H new ATOM 1001 N GLY A 73 2.577 31.379 -2.626 1.00 0.00 N ATOM 1002 CA GLY A 73 2.977 32.480 -3.469 1.00 0.00 C ATOM 1003 C GLY A 73 2.629 32.132 -4.909 1.00 0.00 C ATOM 1004 O GLY A 73 2.158 32.990 -5.654 1.00 0.00 O ATOM 0 H GLY A 73 1.990 30.699 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.467 33.395 -3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.047 32.664 -3.371 1.00 0.00 H new ATOM 1008 N ALA A 74 2.850 30.860 -5.279 1.00 0.00 N ATOM 1009 CA ALA A 74 2.618 30.364 -6.621 1.00 0.00 C ATOM 1010 C ALA A 74 2.737 28.842 -6.742 1.00 0.00 C ATOM 1011 O ALA A 74 3.100 28.411 -7.821 1.00 0.00 O ATOM 1012 CB ALA A 74 3.718 30.979 -7.458 1.00 0.00 C ATOM 0 H ALA A 74 3.199 30.148 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 74 1.605 30.621 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.614 30.652 -8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.646 32.066 -7.412 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.688 30.663 -7.073 1.00 0.00 H new ATOM 1018 N ASP A 75 2.460 28.013 -5.720 1.00 0.00 N ATOM 1019 CA ASP A 75 2.610 26.556 -5.839 1.00 0.00 C ATOM 1020 C ASP A 75 1.274 25.798 -5.885 1.00 0.00 C ATOM 1021 O ASP A 75 0.403 26.008 -5.038 1.00 0.00 O ATOM 1022 CB ASP A 75 3.446 26.049 -4.661 1.00 0.00 C ATOM 1023 CG ASP A 75 4.806 26.739 -4.558 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.595 26.595 -5.513 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.036 27.390 -3.518 1.00 0.00 O ATOM 0 H ASP A 75 2.132 28.328 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 75 3.104 26.362 -6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.893 26.206 -3.735 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.596 24.974 -4.764 1.00 0.00 H new ATOM 1030 N ARG A 76 1.128 24.900 -6.876 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.065 24.085 -7.080 1.00 0.00 C ATOM 1032 C ARG A 76 0.252 22.616 -7.354 1.00 0.00 C ATOM 1033 O ARG A 76 1.341 22.278 -7.813 1.00 0.00 O ATOM 1034 CB ARG A 76 -0.899 24.628 -8.262 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.400 24.563 -7.999 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.225 24.846 -9.244 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.067 26.232 -9.689 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.529 26.715 -10.852 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.080 25.905 -11.767 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.445 28.028 -11.094 1.00 0.00 N ATOM 0 H ARG A 76 1.857 24.723 -7.568 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.627 24.145 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.613 25.661 -8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.666 24.055 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.655 23.575 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.661 25.283 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.923 24.169 -10.043 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.277 24.647 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.571 26.875 -9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.153 24.904 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.426 26.289 -12.646 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.033 28.650 -10.398 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.793 28.408 -11.975 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.729 21.758 -7.043 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.721 20.322 -7.275 1.00 0.00 C ATOM 1056 C VAL A 77 -1.989 20.088 -8.079 1.00 0.00 C ATOM 1057 O VAL A 77 -3.016 20.708 -7.819 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.654 19.436 -6.030 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.747 19.480 -5.412 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.722 19.740 -4.972 1.00 0.00 C ATOM 0 H VAL A 77 -1.592 22.072 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 77 0.196 20.030 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.872 18.427 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.775 18.844 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.477 19.123 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.988 20.505 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.598 19.064 -4.126 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.615 20.770 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.713 19.602 -5.405 1.00 0.00 H new ATOM 1070 N VAL A 78 -1.930 19.185 -9.050 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.073 18.940 -9.915 1.00 0.00 C ATOM 1072 C VAL A 78 -3.245 17.428 -10.103 1.00 0.00 C ATOM 1073 O VAL A 78 -2.297 16.728 -10.455 1.00 0.00 O ATOM 1074 CB VAL A 78 -2.849 19.798 -11.177 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -3.938 19.595 -12.231 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.762 21.302 -10.804 1.00 0.00 C ATOM 0 H VAL A 78 -1.109 18.615 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.036 19.247 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.905 19.468 -11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.728 20.224 -13.096 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.957 18.549 -12.538 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.906 19.867 -11.811 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.604 21.892 -11.707 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.691 21.613 -10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.930 21.459 -10.117 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.473 16.947 -9.846 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.902 15.550 -9.902 1.00 0.00 C ATOM 1088 C ILE A 79 -5.986 15.359 -10.965 1.00 0.00 C ATOM 1089 O ILE A 79 -6.488 16.329 -11.525 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.492 15.123 -8.536 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -5.172 16.071 -7.369 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.107 13.702 -8.122 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -5.866 15.659 -6.069 1.00 0.00 C ATOM 0 H ILE A 79 -5.237 17.567 -9.577 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.031 14.943 -10.149 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.565 15.170 -8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.094 16.094 -7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.477 17.083 -7.634 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.555 13.471 -7.156 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.469 12.995 -8.868 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.022 13.626 -8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.605 16.363 -5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.946 15.663 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.542 14.658 -5.785 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.346 14.095 -11.216 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.368 13.664 -12.169 1.00 0.00 C ATOM 1107 C ASN A 80 -8.667 13.337 -11.435 1.00 0.00 C ATOM 1108 O ASN A 80 -8.739 13.479 -10.214 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.861 12.474 -12.990 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.601 12.814 -13.785 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.341 13.979 -14.082 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.816 11.794 -14.135 1.00 0.00 N ATOM 0 H ASN A 80 -5.909 13.309 -10.735 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.577 14.476 -12.865 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.653 11.637 -12.323 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.644 12.148 -13.675 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.964 11.966 -14.669 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.068 10.842 -13.869 1.00 0.00 H new ATOM 1119 N THR A 81 -9.690 12.890 -12.183 1.00 0.00 N ATOM 1120 CA THR A 81 -11.011 12.569 -11.658 1.00 0.00 C ATOM 1121 C THR A 81 -11.215 11.223 -10.976 1.00 0.00 C ATOM 1122 O THR A 81 -12.122 10.455 -11.288 1.00 0.00 O ATOM 1123 CB THR A 81 -12.109 12.997 -12.639 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.389 12.906 -12.051 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.064 12.154 -13.907 1.00 0.00 C ATOM 0 H THR A 81 -9.611 12.742 -13.189 1.00 0.00 H new ATOM 0 HA THR A 81 -11.102 13.190 -10.767 1.00 0.00 H new ATOM 0 HB THR A 81 -11.922 14.039 -12.899 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.068 13.187 -12.700 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.853 12.477 -14.587 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.095 12.276 -14.391 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.212 11.105 -13.652 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.330 10.984 -10.015 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.268 9.853 -9.133 1.00 0.00 C ATOM 1135 C ASN A 82 -9.400 10.423 -8.015 1.00 0.00 C ATOM 1136 O ASN A 82 -9.900 11.061 -7.091 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.697 8.602 -9.838 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.705 7.911 -10.755 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.809 7.577 -10.331 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.325 7.693 -12.019 1.00 0.00 N ATOM 0 H ASN A 82 -9.575 11.644 -9.827 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.225 9.477 -8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.823 8.890 -10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.357 7.892 -9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.961 7.234 -12.671 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.399 7.986 -12.331 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.102 10.170 -8.158 1.00 0.00 N ATOM 1148 CA CYS A 83 -6.970 10.552 -7.316 1.00 0.00 C ATOM 1149 C CYS A 83 -5.622 10.402 -8.044 1.00 0.00 C ATOM 1150 O CYS A 83 -4.580 10.411 -7.387 1.00 0.00 O ATOM 1151 CB CYS A 83 -6.951 9.856 -5.941 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.135 10.418 -4.686 1.00 0.00 S ATOM 0 H CYS A 83 -7.780 9.629 -8.961 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.119 11.612 -7.111 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -7.117 8.791 -6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.949 9.963 -5.526 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.596 10.282 -9.379 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.350 10.088 -10.110 1.00 0.00 C ATOM 1159 C GLU A 84 -3.616 11.419 -10.267 1.00 0.00 C ATOM 1160 O GLU A 84 -3.927 12.210 -11.157 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.637 9.421 -11.462 1.00 0.00 C ATOM 1162 CG GLU A 84 -5.252 8.024 -11.309 1.00 0.00 C ATOM 1163 CD GLU A 84 -5.648 7.459 -12.671 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -6.748 7.830 -13.140 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -4.844 6.677 -13.223 1.00 0.00 O ATOM 0 H GLU A 84 -6.428 10.317 -9.969 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.695 9.423 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.314 10.052 -12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.710 9.346 -12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.538 7.357 -10.826 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.128 8.075 -10.662 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.646 11.644 -9.369 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.793 12.821 -9.319 1.00 0.00 C ATOM 1174 C TYR A 85 -1.101 12.982 -10.671 1.00 0.00 C ATOM 1175 O TYR A 85 -0.258 12.169 -11.045 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.818 12.698 -8.132 1.00 0.00 C ATOM 1177 CG TYR A 85 0.297 13.733 -8.081 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.027 15.089 -8.347 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.614 13.337 -7.773 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.063 16.035 -8.310 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.651 14.278 -7.755 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.378 15.628 -8.026 1.00 0.00 C ATOM 1183 OH TYR A 85 3.397 16.532 -8.000 1.00 0.00 O ATOM 0 H TYR A 85 -2.432 10.976 -8.629 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.371 13.729 -9.146 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.391 12.763 -7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.367 11.706 -8.158 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.980 15.402 -8.580 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.825 12.302 -7.550 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.850 17.077 -8.500 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.660 13.965 -7.533 1.00 0.00 H new ATOM 0 HH TYR A 85 4.236 16.073 -7.786 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.464 14.051 -11.389 1.00 0.00 N ATOM 1194 CA ALA A 86 -0.932 14.348 -12.709 1.00 0.00 C ATOM 1195 C ALA A 86 0.454 14.979 -12.606 1.00 0.00 C ATOM 1196 O ALA A 86 1.392 14.510 -13.249 1.00 0.00 O ATOM 1197 CB ALA A 86 -1.904 15.277 -13.444 1.00 0.00 C ATOM 0 H ALA A 86 -2.143 14.737 -11.060 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.827 13.421 -13.273 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.511 15.504 -14.435 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.873 14.787 -13.541 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.021 16.202 -12.879 1.00 0.00 H new ATOM 1203 N GLY A 87 0.588 16.032 -11.793 1.00 0.00 N ATOM 1204 CA GLY A 87 1.856 16.711 -11.596 1.00 0.00 C ATOM 1205 C GLY A 87 1.659 18.050 -10.892 1.00 0.00 C ATOM 1206 O GLY A 87 0.547 18.578 -10.843 1.00 0.00 O ATOM 0 H GLY A 87 -0.183 16.431 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.521 16.081 -11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.340 16.871 -12.560 1.00 0.00 H new ATOM 1210 N ALA A 88 2.755 18.577 -10.338 1.00 0.00 N ATOM 1211 CA ALA A 88 2.782 19.850 -9.642 1.00 0.00 C ATOM 1212 C ALA A 88 3.283 20.927 -10.593 1.00 0.00 C ATOM 1213 O ALA A 88 4.117 20.662 -11.460 1.00 0.00 O ATOM 1214 CB ALA A 88 3.651 19.759 -8.388 1.00 0.00 C ATOM 0 H ALA A 88 3.663 18.114 -10.366 1.00 0.00 H new ATOM 0 HA ALA A 88 1.775 20.112 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.659 20.723 -7.880 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.246 19.000 -7.719 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.669 19.489 -8.669 1.00 0.00 H new ATOM 1220 N ILE A 89 2.761 22.143 -10.411 1.00 0.00 N ATOM 1221 CA ILE A 89 3.076 23.313 -11.213 1.00 0.00 C ATOM 1222 C ILE A 89 3.318 24.507 -10.289 1.00 0.00 C ATOM 1223 O ILE A 89 2.904 24.480 -9.132 1.00 0.00 O ATOM 1224 CB ILE A 89 1.944 23.566 -12.231 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.600 23.848 -11.540 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.817 22.367 -13.177 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.535 24.134 -12.528 1.00 0.00 C ATOM 0 H ILE A 89 2.084 22.340 -9.673 1.00 0.00 H new ATOM 0 HA ILE A 89 3.989 23.152 -11.786 1.00 0.00 H new ATOM 0 HB ILE A 89 2.205 24.456 -12.804 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.329 22.992 -10.922 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.714 24.700 -10.870 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.016 22.552 -13.893 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.756 22.224 -13.712 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.588 21.471 -12.600 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.457 24.325 -11.978 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.283 25.008 -13.129 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.674 23.273 -13.181 1.00 0.00 H new ATOM 1239 N THR A 90 3.996 25.552 -10.788 1.00 0.00 N ATOM 1240 CA THR A 90 4.301 26.742 -10.008 1.00 0.00 C ATOM 1241 C THR A 90 4.591 27.965 -10.891 1.00 0.00 C ATOM 1242 O THR A 90 4.779 27.801 -12.093 1.00 0.00 O ATOM 1243 CB THR A 90 5.502 26.434 -9.104 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.772 27.514 -8.235 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.765 26.130 -9.923 1.00 0.00 C ATOM 0 H THR A 90 4.345 25.587 -11.746 1.00 0.00 H new ATOM 0 HA THR A 90 3.427 26.997 -9.409 1.00 0.00 H new ATOM 0 HB THR A 90 5.237 25.552 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.931 27.952 -7.986 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.594 25.917 -9.248 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.585 25.265 -10.561 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.014 26.992 -10.542 1.00 0.00 H new ATOM 1253 N HIS A 91 4.636 29.185 -10.320 1.00 0.00 N ATOM 1254 CA HIS A 91 4.966 30.381 -11.106 1.00 0.00 C ATOM 1255 C HIS A 91 6.482 30.408 -11.301 1.00 0.00 C ATOM 1256 O HIS A 91 6.945 30.295 -12.434 1.00 0.00 O ATOM 1257 CB HIS A 91 4.572 31.738 -10.483 1.00 0.00 C ATOM 1258 CG HIS A 91 3.105 32.062 -10.522 1.00 0.00 C ATOM 1259 ND1 HIS A 91 2.609 33.357 -10.498 1.00 0.00 N ATOM 1260 CD2 HIS A 91 2.003 31.256 -10.575 1.00 0.00 C ATOM 1261 CE1 HIS A 91 1.267 33.265 -10.531 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.835 32.007 -10.583 1.00 0.00 N ATOM 0 H HIS A 91 4.451 29.363 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 91 4.386 30.288 -12.024 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.903 31.752 -9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 91 5.115 32.528 -11.001 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.036 30.177 -10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 91 0.610 34.122 -10.517 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.128 31.673 -10.620 1.00 0.00 H new ATOM 1270 N THR A 92 7.227 30.568 -10.192 1.00 0.00 N ATOM 1271 CA THR A 92 8.686 30.646 -10.057 1.00 0.00 C ATOM 1272 C THR A 92 9.435 31.499 -11.099 1.00 0.00 C ATOM 1273 O THR A 92 10.658 31.416 -11.205 1.00 0.00 O ATOM 1274 CB THR A 92 9.266 29.238 -9.869 1.00 0.00 C ATOM 1275 OG1 THR A 92 10.547 29.312 -9.282 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.361 28.494 -11.197 1.00 0.00 C ATOM 0 H THR A 92 6.775 30.654 -9.282 1.00 0.00 H new ATOM 0 HA THR A 92 8.868 31.229 -9.154 1.00 0.00 H new ATOM 0 HB THR A 92 8.592 28.689 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.075 30.003 -9.735 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.776 27.500 -11.028 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.367 28.403 -11.635 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.008 29.046 -11.878 1.00 0.00 H new ATOM 1284 N GLY A 93 8.709 32.327 -11.854 1.00 0.00 N ATOM 1285 CA GLY A 93 9.231 33.192 -12.898 1.00 0.00 C ATOM 1286 C GLY A 93 8.085 33.824 -13.691 1.00 0.00 C ATOM 1287 O GLY A 93 8.218 34.951 -14.163 1.00 0.00 O ATOM 0 H GLY A 93 7.698 32.412 -11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.850 33.973 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.872 32.618 -13.568 1.00 0.00 H new ATOM 1291 N ALA A 94 6.970 33.091 -13.839 1.00 0.00 N ATOM 1292 CA ALA A 94 5.763 33.507 -14.540 1.00 0.00 C ATOM 1293 C ALA A 94 5.277 34.886 -14.082 1.00 0.00 C ATOM 1294 O ALA A 94 5.096 35.111 -12.886 1.00 0.00 O ATOM 1295 CB ALA A 94 4.666 32.472 -14.284 1.00 0.00 C ATOM 0 H ALA A 94 6.890 32.150 -13.452 1.00 0.00 H new ATOM 0 HA ALA A 94 5.994 33.577 -15.603 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.755 32.771 -14.803 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.991 31.499 -14.652 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.469 32.408 -13.214 1.00 0.00 H new ATOM 1301 N SER A 95 5.060 35.792 -15.046 1.00 0.00 N ATOM 1302 CA SER A 95 4.593 37.152 -14.823 1.00 0.00 C ATOM 1303 C SER A 95 3.128 37.254 -15.247 1.00 0.00 C ATOM 1304 O SER A 95 2.791 37.898 -16.240 1.00 0.00 O ATOM 1305 CB SER A 95 5.493 38.116 -15.596 1.00 0.00 C ATOM 1306 OG SER A 95 5.128 39.454 -15.335 1.00 0.00 O ATOM 0 H SER A 95 5.212 35.583 -16.033 1.00 0.00 H new ATOM 0 HA SER A 95 4.648 37.419 -13.768 1.00 0.00 H new ATOM 0 HB2 SER A 95 6.534 37.956 -15.314 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.418 37.915 -16.665 1.00 0.00 H new ATOM 0 HG SER A 95 5.715 40.057 -15.837 1.00 0.00 H new ATOM 1312 N GLY A 96 2.265 36.595 -14.470 1.00 0.00 N ATOM 1313 CA GLY A 96 0.826 36.566 -14.679 1.00 0.00 C ATOM 1314 C GLY A 96 0.210 35.321 -14.052 1.00 0.00 C ATOM 1315 O GLY A 96 0.823 34.683 -13.198 1.00 0.00 O ATOM 0 H GLY A 96 2.562 36.054 -13.658 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.374 37.458 -14.246 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.609 36.585 -15.747 1.00 0.00 H new ATOM 1319 N ASN A 97 -1.005 34.973 -14.497 1.00 0.00 N ATOM 1320 CA ASN A 97 -1.752 33.814 -14.015 1.00 0.00 C ATOM 1321 C ASN A 97 -1.250 32.514 -14.664 1.00 0.00 C ATOM 1322 O ASN A 97 -1.868 31.467 -14.488 1.00 0.00 O ATOM 1323 CB ASN A 97 -3.250 34.023 -14.299 1.00 0.00 C ATOM 1324 CG ASN A 97 -3.823 35.278 -13.635 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -3.223 35.844 -12.725 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -5.002 35.713 -14.091 1.00 0.00 N ATOM 0 H ASN A 97 -1.501 35.501 -15.215 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.597 33.718 -12.940 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.403 34.088 -15.376 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.804 33.151 -13.951 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -5.433 36.542 -13.681 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.470 35.216 -14.849 1.00 0.00 H new ATOM 1333 N ASN A 98 -0.134 32.578 -15.407 1.00 0.00 N ATOM 1334 CA ASN A 98 0.497 31.448 -16.074 1.00 0.00 C ATOM 1335 C ASN A 98 1.336 30.644 -15.077 1.00 0.00 C ATOM 1336 O ASN A 98 1.752 31.167 -14.043 1.00 0.00 O ATOM 1337 CB ASN A 98 1.281 31.904 -17.318 1.00 0.00 C ATOM 1338 CG ASN A 98 2.441 32.867 -17.056 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.142 34.122 -16.699 1.00 0.00 O flip ATOM 1340 ND2 ASN A 98 3.600 32.481 -17.188 1.00 0.00 N flip ATOM 0 H ASN A 98 0.365 33.454 -15.560 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.273 30.772 -16.446 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.673 31.020 -17.821 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.585 32.382 -18.008 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.788 31.517 -17.461 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.374 33.125 -17.024 1.00 0.00 H new ATOM 1347 N PHE A 99 1.570 29.365 -15.399 1.00 0.00 N ATOM 1348 CA PHE A 99 2.311 28.411 -14.579 1.00 0.00 C ATOM 1349 C PHE A 99 3.258 27.556 -15.439 1.00 0.00 C ATOM 1350 O PHE A 99 3.075 27.436 -16.649 1.00 0.00 O ATOM 1351 CB PHE A 99 1.282 27.490 -13.894 1.00 0.00 C ATOM 1352 CG PHE A 99 0.721 28.036 -12.593 1.00 0.00 C ATOM 1353 CD1 PHE A 99 -0.244 29.056 -12.591 1.00 0.00 C ATOM 1354 CD2 PHE A 99 1.168 27.504 -11.374 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.734 29.559 -11.373 1.00 0.00 C ATOM 1356 CE2 PHE A 99 0.682 28.000 -10.156 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.258 29.038 -10.154 1.00 0.00 C ATOM 0 H PHE A 99 1.234 28.956 -16.271 1.00 0.00 H new ATOM 0 HA PHE A 99 2.915 28.950 -13.849 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.458 27.310 -14.584 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.750 26.525 -13.698 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.610 29.454 -13.526 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.894 26.704 -11.374 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -1.475 30.345 -11.372 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.031 27.583 -9.223 1.00 0.00 H new ATOM 0 HZ PHE A 99 -0.618 29.439 -9.218 1.00 0.00 H new ATOM 1367 N VAL A 100 4.264 26.961 -14.782 1.00 0.00 N ATOM 1368 CA VAL A 100 5.285 26.067 -15.324 1.00 0.00 C ATOM 1369 C VAL A 100 5.292 24.812 -14.446 1.00 0.00 C ATOM 1370 O VAL A 100 4.577 24.764 -13.454 1.00 0.00 O ATOM 1371 CB VAL A 100 6.670 26.731 -15.429 1.00 0.00 C ATOM 1372 CG1 VAL A 100 6.692 27.715 -16.601 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.111 27.432 -14.142 1.00 0.00 C ATOM 0 H VAL A 100 4.390 27.107 -13.780 1.00 0.00 H new ATOM 0 HA VAL A 100 5.043 25.804 -16.354 1.00 0.00 H new ATOM 0 HB VAL A 100 7.386 25.928 -15.601 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.676 28.180 -16.667 1.00 0.00 H new ATOM 0 HG12 VAL A 100 6.479 27.182 -17.528 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.937 28.485 -16.444 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.095 27.877 -14.289 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.394 28.213 -13.889 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.159 26.706 -13.330 1.00 0.00 H new ATOM 1383 N GLY A 101 6.093 23.796 -14.781 1.00 0.00 N ATOM 1384 CA GLY A 101 6.136 22.537 -14.038 1.00 0.00 C ATOM 1385 C GLY A 101 7.073 22.474 -12.827 1.00 0.00 C ATOM 1386 O GLY A 101 7.868 23.381 -12.588 1.00 0.00 O ATOM 0 H GLY A 101 6.730 23.825 -15.577 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.126 22.311 -13.697 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.423 21.745 -14.730 1.00 0.00 H new ATOM 1390 N CYS A 102 6.940 21.370 -12.068 1.00 0.00 N ATOM 1391 CA CYS A 102 7.710 20.997 -10.878 1.00 0.00 C ATOM 1392 C CYS A 102 8.206 19.554 -11.090 1.00 0.00 C ATOM 1393 O CYS A 102 7.953 18.990 -12.152 1.00 0.00 O ATOM 1394 CB CYS A 102 6.922 21.177 -9.577 1.00 0.00 C ATOM 1395 SG CYS A 102 6.111 22.778 -9.322 1.00 0.00 S ATOM 0 H CYS A 102 6.237 20.666 -12.292 1.00 0.00 H new ATOM 0 HA CYS A 102 8.562 21.667 -10.759 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.159 20.400 -9.533 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.602 21.005 -8.742 1.00 0.00 H new ATOM 1400 N SER A 103 8.885 18.950 -10.096 1.00 0.00 N ATOM 1401 CA SER A 103 9.491 17.605 -10.123 1.00 0.00 C ATOM 1402 C SER A 103 9.950 17.069 -11.492 1.00 0.00 C ATOM 1403 O SER A 103 9.782 15.884 -11.781 1.00 0.00 O ATOM 1404 CB SER A 103 8.603 16.581 -9.399 1.00 0.00 C ATOM 1405 OG SER A 103 9.286 15.365 -9.167 1.00 0.00 O ATOM 0 H SER A 103 9.034 19.415 -9.200 1.00 0.00 H new ATOM 0 HA SER A 103 10.427 17.744 -9.582 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.269 16.997 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.710 16.389 -9.994 1.00 0.00 H new ATOM 0 HG SER A 103 9.684 15.049 -10.005 1.00 0.00 H new ATOM 1411 N GLY A 104 10.521 17.931 -12.339 1.00 0.00 N ATOM 1412 CA GLY A 104 11.018 17.571 -13.661 1.00 0.00 C ATOM 1413 C GLY A 104 9.920 16.869 -14.457 1.00 0.00 C ATOM 1414 O GLY A 104 10.149 15.811 -15.039 1.00 0.00 O ATOM 0 H GLY A 104 10.651 18.918 -12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.348 18.465 -14.191 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.885 16.918 -13.567 1.00 0.00 H new ATOM 1418 N THR A 105 8.731 17.481 -14.468 1.00 0.00 N ATOM 1419 CA THR A 105 7.556 16.949 -15.148 1.00 0.00 C ATOM 1420 C THR A 105 7.602 17.215 -16.654 1.00 0.00 C ATOM 1421 O THR A 105 8.193 18.197 -17.104 1.00 0.00 O ATOM 1422 CB THR A 105 6.267 17.472 -14.493 1.00 0.00 C ATOM 1423 OG1 THR A 105 5.152 16.712 -14.920 1.00 0.00 O ATOM 1424 CG2 THR A 105 6.030 18.942 -14.828 1.00 0.00 C ATOM 0 H THR A 105 8.561 18.370 -13.998 1.00 0.00 H new ATOM 0 HA THR A 105 7.559 15.865 -15.035 1.00 0.00 H new ATOM 0 HB THR A 105 6.386 17.374 -13.414 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.339 17.055 -14.493 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.111 19.281 -14.350 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.868 19.537 -14.466 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.941 19.059 -15.908 1.00 0.00 H new ATOM 1432 N ASN A 106 6.977 16.315 -17.421 1.00 0.00 N ATOM 1433 CA ASN A 106 6.911 16.371 -18.873 1.00 0.00 C ATOM 1434 C ASN A 106 5.694 15.572 -19.340 1.00 0.00 C ATOM 1435 O ASN A 106 5.758 14.327 -19.250 1.00 0.00 O ATOM 1436 CB ASN A 106 8.220 15.825 -19.469 1.00 0.00 C ATOM 1437 CG ASN A 106 8.241 15.869 -20.997 1.00 0.00 C ATOM 1438 OD1 ASN A 106 7.528 16.655 -21.617 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.071 15.020 -21.611 1.00 0.00 N ATOM 1440 OXT ASN A 106 4.660 16.225 -19.603 1.00 0.00 O ATOM 0 H ASN A 106 6.491 15.507 -17.031 1.00 0.00 H new ATOM 0 HA ASN A 106 6.798 17.400 -19.216 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.059 16.404 -19.082 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.363 14.796 -19.138 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.128 15.010 -22.629 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.647 14.383 -21.061 1.00 0.00 H new TER 1447 ASN A 106