USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 759 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 74 GLN : amide:sc= -2.95 X(o=-3.6,f=-3.6!) USER MOD Set 1.2: A 76 ASN : amide:sc= -0.382 X(o=-3.6,f=-3.2) USER MOD Set 1.3: A 94 GLN : amide:sc= -0.238 X(o=-3.6,f=-3.6) USER MOD Set 2.1: A 62 ASN : amide:sc= 0 X(o=-2.7,f=-2.8) USER MOD Set 2.2: A 63 SER OG : rot -26:sc= -2.72! USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0474 (180deg=0) USER MOD Single : A 4 MET CE :methyl -116:sc= 0 (180deg=-0.121) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -34:sc= 0.909 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot -76:sc= 1.03 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00987 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 40 TYR OH : rot 26:sc= -4.83! USER MOD Single : A 44 TYR OH : rot 180:sc= -2.22! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -157:sc= 0.272 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0904 USER MOD Single : A 56 ASN : amide:sc= -0.239 X(o=-0.24,f=-0.041) USER MOD Single : A 60 THR OG1 : rot -40:sc= 0.808 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0733 USER MOD Single : A 70 GLN : amide:sc=-0.00683 X(o=-0.0068,f=0.18) USER MOD Single : A 75 TYR OH : rot -163:sc= 0.746 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 1.09 K(o=1.1,f=-0.041) USER MOD Single : A 88 SER OG : rot -139:sc= 0.048 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0429 USER MOD Single : A 95 GLN :FLIP amide:sc= -0.141 F(o=-1.3,f=-0.14) USER MOD Single : A 97 THR OG1 : rot 160:sc= 2.21 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.817 -31.417 -3.609 1.00 0.00 N ATOM 2 CA GLY A 1 -11.083 -30.985 -2.218 1.00 0.00 C ATOM 3 C GLY A 1 -11.224 -32.164 -1.283 1.00 0.00 C ATOM 4 O GLY A 1 -10.616 -33.210 -1.518 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.101 -30.795 -4.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.468 -32.397 -3.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.695 -31.364 -4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.271 -30.344 -1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.994 -30.388 -2.191 1.00 0.00 H new ATOM 10 N SER A 2 -12.033 -31.991 -0.234 1.00 0.00 N ATOM 11 CA SER A 2 -12.267 -33.025 0.772 1.00 0.00 C ATOM 12 C SER A 2 -11.013 -33.257 1.612 1.00 0.00 C ATOM 13 O SER A 2 -10.005 -33.768 1.120 1.00 0.00 O ATOM 14 CB SER A 2 -12.733 -34.336 0.121 1.00 0.00 C ATOM 15 OG SER A 2 -12.979 -35.336 1.095 1.00 0.00 O ATOM 0 H SER A 2 -12.545 -31.126 -0.060 1.00 0.00 H new ATOM 0 HA SER A 2 -13.062 -32.676 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.640 -34.156 -0.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.975 -34.686 -0.579 1.00 0.00 H new ATOM 0 HG SER A 2 -13.275 -36.158 0.652 1.00 0.00 H new ATOM 21 N HIS A 3 -11.087 -32.870 2.884 1.00 0.00 N ATOM 22 CA HIS A 3 -9.966 -33.008 3.812 1.00 0.00 C ATOM 23 C HIS A 3 -8.765 -32.215 3.318 1.00 0.00 C ATOM 24 O HIS A 3 -7.679 -32.762 3.108 1.00 0.00 O ATOM 25 CB HIS A 3 -9.591 -34.484 4.019 1.00 0.00 C ATOM 26 CG HIS A 3 -10.619 -35.264 4.782 1.00 0.00 C ATOM 27 ND1 HIS A 3 -10.418 -35.720 6.066 1.00 0.00 N ATOM 28 CD2 HIS A 3 -11.862 -35.669 4.432 1.00 0.00 C ATOM 29 CE1 HIS A 3 -11.492 -36.370 6.472 1.00 0.00 C ATOM 30 NE2 HIS A 3 -12.384 -36.354 5.500 1.00 0.00 N ATOM 0 H HIS A 3 -11.921 -32.454 3.299 1.00 0.00 H new ATOM 0 HA HIS A 3 -10.277 -32.605 4.776 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -9.441 -34.952 3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.640 -34.538 4.549 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -12.352 -35.487 3.487 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -11.620 -36.837 7.438 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -13.310 -36.781 5.537 1.00 0.00 H new ATOM 39 N MET A 4 -8.974 -30.921 3.124 1.00 0.00 N ATOM 40 CA MET A 4 -7.927 -30.032 2.643 1.00 0.00 C ATOM 41 C MET A 4 -7.028 -29.627 3.810 1.00 0.00 C ATOM 42 O MET A 4 -7.125 -28.518 4.332 1.00 0.00 O ATOM 43 CB MET A 4 -8.563 -28.800 1.984 1.00 0.00 C ATOM 44 CG MET A 4 -7.700 -28.120 0.928 1.00 0.00 C ATOM 45 SD MET A 4 -6.253 -27.283 1.602 1.00 0.00 S ATOM 46 CE MET A 4 -5.594 -26.527 0.117 1.00 0.00 C ATOM 0 H MET A 4 -9.868 -30.460 3.294 1.00 0.00 H new ATOM 0 HA MET A 4 -7.317 -30.543 1.899 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.506 -29.098 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 4 -8.802 -28.073 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 4 -7.372 -28.866 0.204 1.00 0.00 H new ATOM 0 HG3 MET A 4 -8.308 -27.396 0.386 1.00 0.00 H new ATOM 0 HE1 MET A 4 -4.614 -26.950 -0.102 1.00 0.00 H new ATOM 0 HE2 MET A 4 -6.267 -26.719 -0.719 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.500 -25.452 0.267 1.00 0.00 H new ATOM 56 N GLY A 5 -6.169 -30.548 4.223 1.00 0.00 N ATOM 57 CA GLY A 5 -5.319 -30.314 5.372 1.00 0.00 C ATOM 58 C GLY A 5 -4.113 -29.462 5.045 1.00 0.00 C ATOM 59 O GLY A 5 -3.582 -28.768 5.909 1.00 0.00 O ATOM 0 H GLY A 5 -6.046 -31.458 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.900 -29.827 6.155 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.984 -31.271 5.772 1.00 0.00 H new ATOM 63 N THR A 6 -3.673 -29.511 3.799 1.00 0.00 N ATOM 64 CA THR A 6 -2.528 -28.727 3.370 1.00 0.00 C ATOM 65 C THR A 6 -2.984 -27.346 2.887 1.00 0.00 C ATOM 66 O THR A 6 -2.814 -26.984 1.719 1.00 0.00 O ATOM 67 CB THR A 6 -1.749 -29.452 2.254 1.00 0.00 C ATOM 68 OG1 THR A 6 -1.527 -30.820 2.634 1.00 0.00 O ATOM 69 CG2 THR A 6 -0.407 -28.779 1.996 1.00 0.00 C ATOM 0 H THR A 6 -4.091 -30.085 3.067 1.00 0.00 H new ATOM 0 HA THR A 6 -1.862 -28.602 4.223 1.00 0.00 H new ATOM 0 HB THR A 6 -2.341 -29.407 1.340 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.033 -31.281 1.924 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.121 -29.311 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.571 -27.745 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.191 -28.798 2.907 1.00 0.00 H new ATOM 77 N THR A 7 -3.578 -26.584 3.797 1.00 0.00 N ATOM 78 CA THR A 7 -4.066 -25.255 3.478 1.00 0.00 C ATOM 79 C THR A 7 -2.926 -24.242 3.540 1.00 0.00 C ATOM 80 O THR A 7 -2.686 -23.614 4.571 1.00 0.00 O ATOM 81 CB THR A 7 -5.190 -24.828 4.441 1.00 0.00 C ATOM 82 OG1 THR A 7 -6.148 -25.889 4.569 1.00 0.00 O ATOM 83 CG2 THR A 7 -5.890 -23.574 3.938 1.00 0.00 C ATOM 0 H THR A 7 -3.732 -26.868 4.764 1.00 0.00 H new ATOM 0 HA THR A 7 -4.470 -25.284 2.466 1.00 0.00 H new ATOM 0 HB THR A 7 -4.744 -24.612 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.224 -26.366 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.679 -23.293 4.635 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.168 -22.761 3.860 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.325 -23.768 2.957 1.00 0.00 H new ATOM 91 N THR A 8 -2.212 -24.105 2.436 1.00 0.00 N ATOM 92 CA THR A 8 -1.101 -23.178 2.364 1.00 0.00 C ATOM 93 C THR A 8 -1.581 -21.805 1.909 1.00 0.00 C ATOM 94 O THR A 8 -2.193 -21.666 0.848 1.00 0.00 O ATOM 95 CB THR A 8 -0.016 -23.702 1.410 1.00 0.00 C ATOM 96 OG1 THR A 8 0.311 -25.055 1.761 1.00 0.00 O ATOM 97 CG2 THR A 8 1.236 -22.839 1.479 1.00 0.00 C ATOM 0 H THR A 8 -2.384 -24.626 1.576 1.00 0.00 H new ATOM 0 HA THR A 8 -0.670 -23.086 3.361 1.00 0.00 H new ATOM 0 HB THR A 8 -0.401 -23.663 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.002 -25.393 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.987 -23.232 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.988 -21.816 1.197 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.630 -22.850 2.495 1.00 0.00 H new ATOM 105 N ALA A 9 -1.311 -20.800 2.723 1.00 0.00 N ATOM 106 CA ALA A 9 -1.762 -19.448 2.450 1.00 0.00 C ATOM 107 C ALA A 9 -0.569 -18.515 2.316 1.00 0.00 C ATOM 108 O ALA A 9 0.406 -18.633 3.061 1.00 0.00 O ATOM 109 CB ALA A 9 -2.690 -18.972 3.558 1.00 0.00 C ATOM 0 H ALA A 9 -0.776 -20.897 3.586 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.313 -19.442 1.510 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.022 -17.956 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.555 -19.632 3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.158 -18.986 4.509 1.00 0.00 H new ATOM 115 N PRO A 10 -0.620 -17.588 1.353 1.00 0.00 N ATOM 116 CA PRO A 10 0.460 -16.631 1.136 1.00 0.00 C ATOM 117 C PRO A 10 0.602 -15.650 2.290 1.00 0.00 C ATOM 118 O PRO A 10 -0.388 -15.144 2.822 1.00 0.00 O ATOM 119 CB PRO A 10 0.058 -15.903 -0.149 1.00 0.00 C ATOM 120 CG PRO A 10 -1.416 -16.087 -0.257 1.00 0.00 C ATOM 121 CD PRO A 10 -1.723 -17.405 0.397 1.00 0.00 C ATOM 0 HA PRO A 10 1.429 -17.126 1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.320 -14.846 -0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.571 -16.320 -1.015 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.947 -15.274 0.238 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -1.733 -16.087 -1.300 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.690 -17.386 0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.759 -18.215 -0.332 1.00 0.00 H new ATOM 129 N ASP A 11 1.840 -15.400 2.679 1.00 0.00 N ATOM 130 CA ASP A 11 2.137 -14.467 3.750 1.00 0.00 C ATOM 131 C ASP A 11 2.283 -13.061 3.187 1.00 0.00 C ATOM 132 O ASP A 11 2.382 -12.880 1.976 1.00 0.00 O ATOM 133 CB ASP A 11 3.410 -14.893 4.495 1.00 0.00 C ATOM 134 CG ASP A 11 4.579 -15.174 3.572 1.00 0.00 C ATOM 135 OD1 ASP A 11 4.563 -16.223 2.890 1.00 0.00 O ATOM 136 OD2 ASP A 11 5.530 -14.366 3.540 1.00 0.00 O ATOM 0 H ASP A 11 2.663 -15.836 2.263 1.00 0.00 H new ATOM 0 HA ASP A 11 1.312 -14.471 4.463 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.691 -14.109 5.198 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.197 -15.786 5.083 1.00 0.00 H new ATOM 141 N ALA A 12 2.246 -12.074 4.063 1.00 0.00 N ATOM 142 CA ALA A 12 2.327 -10.677 3.659 1.00 0.00 C ATOM 143 C ALA A 12 3.753 -10.162 3.772 1.00 0.00 C ATOM 144 O ALA A 12 4.563 -10.730 4.504 1.00 0.00 O ATOM 145 CB ALA A 12 1.415 -9.846 4.538 1.00 0.00 C ATOM 0 H ALA A 12 2.160 -12.214 5.070 1.00 0.00 H new ATOM 0 HA ALA A 12 2.014 -10.597 2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.474 -8.800 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.388 -10.197 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.725 -9.943 5.578 1.00 0.00 H new ATOM 151 N PRO A 13 4.087 -9.075 3.060 1.00 0.00 N ATOM 152 CA PRO A 13 5.394 -8.439 3.174 1.00 0.00 C ATOM 153 C PRO A 13 5.545 -7.721 4.509 1.00 0.00 C ATOM 154 O PRO A 13 4.656 -6.965 4.914 1.00 0.00 O ATOM 155 CB PRO A 13 5.408 -7.420 2.023 1.00 0.00 C ATOM 156 CG PRO A 13 4.251 -7.784 1.160 1.00 0.00 C ATOM 157 CD PRO A 13 3.239 -8.373 2.086 1.00 0.00 C ATOM 0 HA PRO A 13 6.209 -9.161 3.123 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.313 -6.401 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.344 -7.468 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 13 3.852 -6.909 0.647 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.543 -8.499 0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.624 -7.607 2.558 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.561 -9.053 1.570 1.00 0.00 H new ATOM 165 N PRO A 14 6.649 -7.978 5.231 1.00 0.00 N ATOM 166 CA PRO A 14 6.976 -7.256 6.462 1.00 0.00 C ATOM 167 C PRO A 14 6.878 -5.749 6.280 1.00 0.00 C ATOM 168 O PRO A 14 7.092 -5.238 5.177 1.00 0.00 O ATOM 169 CB PRO A 14 8.417 -7.677 6.742 1.00 0.00 C ATOM 170 CG PRO A 14 8.529 -9.033 6.142 1.00 0.00 C ATOM 171 CD PRO A 14 7.649 -9.018 4.922 1.00 0.00 C ATOM 0 HA PRO A 14 6.289 -7.488 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.128 -6.984 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.624 -7.697 7.812 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.562 -9.258 5.876 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.207 -9.800 6.847 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.215 -8.776 4.022 1.00 0.00 H new ATOM 0 HD3 PRO A 14 7.181 -9.988 4.753 1.00 0.00 H new ATOM 179 N ASP A 15 6.568 -5.067 7.389 1.00 0.00 N ATOM 180 CA ASP A 15 6.249 -3.633 7.410 1.00 0.00 C ATOM 181 C ASP A 15 7.088 -2.838 6.414 1.00 0.00 C ATOM 182 O ASP A 15 8.285 -2.643 6.612 1.00 0.00 O ATOM 183 CB ASP A 15 6.469 -3.086 8.824 1.00 0.00 C ATOM 184 CG ASP A 15 5.997 -1.655 8.985 1.00 0.00 C ATOM 185 OD1 ASP A 15 4.815 -1.452 9.333 1.00 0.00 O ATOM 186 OD2 ASP A 15 6.807 -0.727 8.786 1.00 0.00 O ATOM 0 H ASP A 15 6.531 -5.502 8.311 1.00 0.00 H new ATOM 0 HA ASP A 15 5.205 -3.521 7.117 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.943 -3.719 9.538 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.530 -3.143 9.069 1.00 0.00 H new ATOM 191 N PRO A 16 6.461 -2.401 5.309 1.00 0.00 N ATOM 192 CA PRO A 16 7.124 -1.612 4.259 1.00 0.00 C ATOM 193 C PRO A 16 7.504 -0.210 4.717 1.00 0.00 C ATOM 194 O PRO A 16 6.778 0.438 5.469 1.00 0.00 O ATOM 195 CB PRO A 16 6.073 -1.543 3.136 1.00 0.00 C ATOM 196 CG PRO A 16 5.135 -2.652 3.455 1.00 0.00 C ATOM 197 CD PRO A 16 5.066 -2.683 4.954 1.00 0.00 C ATOM 0 HA PRO A 16 8.066 -2.069 3.955 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.563 -0.580 3.125 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.528 -1.675 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.152 -2.476 3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.495 -3.601 3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.381 -1.933 5.350 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.733 -3.650 5.331 1.00 0.00 H new ATOM 205 N THR A 17 8.639 0.253 4.234 1.00 0.00 N ATOM 206 CA THR A 17 9.180 1.544 4.613 1.00 0.00 C ATOM 207 C THR A 17 8.816 2.609 3.600 1.00 0.00 C ATOM 208 O THR A 17 9.016 2.450 2.398 1.00 0.00 O ATOM 209 CB THR A 17 10.714 1.464 4.752 1.00 0.00 C ATOM 210 OG1 THR A 17 11.061 0.504 5.759 1.00 0.00 O ATOM 211 CG2 THR A 17 11.316 2.817 5.101 1.00 0.00 C ATOM 0 H THR A 17 9.215 -0.257 3.565 1.00 0.00 H new ATOM 0 HA THR A 17 8.744 1.817 5.574 1.00 0.00 H new ATOM 0 HB THR A 17 11.122 1.154 3.790 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.036 0.455 5.842 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.398 2.722 5.191 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.079 3.534 4.315 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.903 3.166 6.047 1.00 0.00 H new ATOM 219 N VAL A 18 8.255 3.681 4.111 1.00 0.00 N ATOM 220 CA VAL A 18 7.976 4.855 3.301 1.00 0.00 C ATOM 221 C VAL A 18 9.258 5.658 3.118 1.00 0.00 C ATOM 222 O VAL A 18 9.839 6.160 4.083 1.00 0.00 O ATOM 223 CB VAL A 18 6.875 5.748 3.911 1.00 0.00 C ATOM 224 CG1 VAL A 18 6.673 7.008 3.073 1.00 0.00 C ATOM 225 CG2 VAL A 18 5.570 4.977 4.048 1.00 0.00 C ATOM 0 H VAL A 18 7.980 3.769 5.089 1.00 0.00 H new ATOM 0 HA VAL A 18 7.605 4.510 2.336 1.00 0.00 H new ATOM 0 HB VAL A 18 7.197 6.051 4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.892 7.622 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.604 7.574 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.378 6.729 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.808 5.626 4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.243 4.638 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.723 4.115 4.697 1.00 0.00 H new ATOM 235 N ASP A 19 9.695 5.759 1.876 1.00 0.00 N ATOM 236 CA ASP A 19 10.974 6.372 1.551 1.00 0.00 C ATOM 237 C ASP A 19 10.832 7.878 1.381 1.00 0.00 C ATOM 238 O ASP A 19 11.705 8.644 1.785 1.00 0.00 O ATOM 239 CB ASP A 19 11.525 5.753 0.265 1.00 0.00 C ATOM 240 CG ASP A 19 12.936 6.206 -0.041 1.00 0.00 C ATOM 241 OD1 ASP A 19 13.881 5.582 0.480 1.00 0.00 O ATOM 242 OD2 ASP A 19 13.104 7.166 -0.816 1.00 0.00 O ATOM 0 H ASP A 19 9.177 5.420 1.065 1.00 0.00 H new ATOM 0 HA ASP A 19 11.665 6.188 2.374 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.507 4.667 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.874 6.016 -0.569 1.00 0.00 H new ATOM 247 N GLN A 20 9.716 8.296 0.805 1.00 0.00 N ATOM 248 CA GLN A 20 9.484 9.703 0.513 1.00 0.00 C ATOM 249 C GLN A 20 8.075 10.095 0.909 1.00 0.00 C ATOM 250 O GLN A 20 7.120 9.355 0.662 1.00 0.00 O ATOM 251 CB GLN A 20 9.699 9.989 -0.974 1.00 0.00 C ATOM 252 CG GLN A 20 11.123 9.752 -1.446 1.00 0.00 C ATOM 253 CD GLN A 20 11.289 9.991 -2.931 1.00 0.00 C ATOM 254 OE1 GLN A 20 11.121 9.079 -3.740 1.00 0.00 O ATOM 255 NE2 GLN A 20 11.625 11.215 -3.300 1.00 0.00 N ATOM 0 H GLN A 20 8.953 7.678 0.529 1.00 0.00 H new ATOM 0 HA GLN A 20 10.197 10.292 1.090 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.024 9.361 -1.556 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.426 11.024 -1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.798 10.409 -0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 20 11.414 8.728 -1.211 1.00 0.00 H new ATOM 0 HE21 GLN A 20 11.755 11.942 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.755 11.432 -4.288 1.00 0.00 H new ATOM 264 N VAL A 21 7.961 11.251 1.539 1.00 0.00 N ATOM 265 CA VAL A 21 6.678 11.766 1.982 1.00 0.00 C ATOM 266 C VAL A 21 6.542 13.234 1.598 1.00 0.00 C ATOM 267 O VAL A 21 7.300 14.080 2.075 1.00 0.00 O ATOM 268 CB VAL A 21 6.497 11.632 3.512 1.00 0.00 C ATOM 269 CG1 VAL A 21 5.106 12.080 3.925 1.00 0.00 C ATOM 270 CG2 VAL A 21 6.758 10.209 3.979 1.00 0.00 C ATOM 0 H VAL A 21 8.752 11.857 1.757 1.00 0.00 H new ATOM 0 HA VAL A 21 5.907 11.172 1.490 1.00 0.00 H new ATOM 0 HB VAL A 21 7.230 12.280 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.997 11.979 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.960 13.122 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.361 11.461 3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.622 10.150 5.059 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.060 9.531 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.779 9.924 3.726 1.00 0.00 H new ATOM 280 N ASP A 22 5.591 13.532 0.728 1.00 0.00 N ATOM 281 CA ASP A 22 5.352 14.902 0.291 1.00 0.00 C ATOM 282 C ASP A 22 3.864 15.226 0.359 1.00 0.00 C ATOM 283 O ASP A 22 3.117 14.562 1.073 1.00 0.00 O ATOM 284 CB ASP A 22 5.890 15.120 -1.129 1.00 0.00 C ATOM 285 CG ASP A 22 7.404 15.183 -1.177 1.00 0.00 C ATOM 286 OD1 ASP A 22 7.964 16.284 -0.976 1.00 0.00 O ATOM 287 OD2 ASP A 22 8.043 14.137 -1.419 1.00 0.00 O ATOM 0 H ASP A 22 4.968 12.842 0.308 1.00 0.00 H new ATOM 0 HA ASP A 22 5.884 15.577 0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.543 14.312 -1.773 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.479 16.046 -1.531 1.00 0.00 H new ATOM 292 N ASP A 23 3.446 16.257 -0.365 1.00 0.00 N ATOM 293 CA ASP A 23 2.058 16.709 -0.352 1.00 0.00 C ATOM 294 C ASP A 23 1.119 15.704 -1.011 1.00 0.00 C ATOM 295 O ASP A 23 0.278 15.098 -0.352 1.00 0.00 O ATOM 296 CB ASP A 23 1.939 18.074 -1.051 1.00 0.00 C ATOM 297 CG ASP A 23 2.589 18.107 -2.423 1.00 0.00 C ATOM 298 OD1 ASP A 23 3.830 17.993 -2.501 1.00 0.00 O ATOM 299 OD2 ASP A 23 1.867 18.231 -3.431 1.00 0.00 O ATOM 0 H ASP A 23 4.055 16.802 -0.975 1.00 0.00 H new ATOM 0 HA ASP A 23 1.758 16.804 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.885 18.333 -1.150 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.397 18.837 -0.422 1.00 0.00 H new ATOM 304 N THR A 24 1.278 15.528 -2.306 1.00 0.00 N ATOM 305 CA THR A 24 0.362 14.730 -3.093 1.00 0.00 C ATOM 306 C THR A 24 1.071 13.501 -3.660 1.00 0.00 C ATOM 307 O THR A 24 0.794 13.058 -4.771 1.00 0.00 O ATOM 308 CB THR A 24 -0.224 15.596 -4.222 1.00 0.00 C ATOM 309 OG1 THR A 24 0.841 16.148 -5.012 1.00 0.00 O ATOM 310 CG2 THR A 24 -1.055 16.731 -3.633 1.00 0.00 C ATOM 0 H THR A 24 2.045 15.934 -2.842 1.00 0.00 H new ATOM 0 HA THR A 24 -0.450 14.379 -2.457 1.00 0.00 H new ATOM 0 HB THR A 24 -0.860 14.972 -4.850 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.257 16.891 -4.527 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.465 17.338 -4.440 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.870 16.316 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.424 17.352 -2.997 1.00 0.00 H new ATOM 318 N SER A 25 1.971 12.947 -2.857 1.00 0.00 N ATOM 319 CA SER A 25 2.829 11.845 -3.276 1.00 0.00 C ATOM 320 C SER A 25 3.584 11.262 -2.078 1.00 0.00 C ATOM 321 O SER A 25 4.175 11.999 -1.286 1.00 0.00 O ATOM 322 CB SER A 25 3.814 12.311 -4.355 1.00 0.00 C ATOM 323 OG SER A 25 4.525 13.467 -3.937 1.00 0.00 O ATOM 0 H SER A 25 2.127 13.249 -1.895 1.00 0.00 H new ATOM 0 HA SER A 25 2.199 11.062 -3.698 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.518 11.509 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.273 12.527 -5.276 1.00 0.00 H new ATOM 0 HG SER A 25 5.147 13.742 -4.643 1.00 0.00 H new ATOM 329 N ILE A 26 3.551 9.944 -1.948 1.00 0.00 N ATOM 330 CA ILE A 26 4.259 9.237 -0.872 1.00 0.00 C ATOM 331 C ILE A 26 4.741 7.896 -1.412 1.00 0.00 C ATOM 332 O ILE A 26 4.038 7.271 -2.180 1.00 0.00 O ATOM 333 CB ILE A 26 3.349 9.013 0.370 1.00 0.00 C ATOM 334 CG1 ILE A 26 3.128 10.321 1.134 1.00 0.00 C ATOM 335 CG2 ILE A 26 3.934 7.964 1.304 1.00 0.00 C ATOM 336 CD1 ILE A 26 2.229 10.171 2.345 1.00 0.00 C ATOM 0 H ILE A 26 3.037 9.329 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 26 5.102 9.847 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 26 2.388 8.653 0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.093 10.712 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.694 11.058 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.274 7.832 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.032 7.018 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.915 8.290 1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.117 11.137 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.250 9.809 2.029 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.672 9.459 3.041 1.00 0.00 H new ATOM 348 N VAL A 27 5.922 7.441 -1.029 1.00 0.00 N ATOM 349 CA VAL A 27 6.466 6.235 -1.632 1.00 0.00 C ATOM 350 C VAL A 27 6.690 5.176 -0.578 1.00 0.00 C ATOM 351 O VAL A 27 7.244 5.466 0.474 1.00 0.00 O ATOM 352 CB VAL A 27 7.801 6.499 -2.336 1.00 0.00 C ATOM 353 CG1 VAL A 27 8.277 5.233 -3.033 1.00 0.00 C ATOM 354 CG2 VAL A 27 7.677 7.647 -3.324 1.00 0.00 C ATOM 0 H VAL A 27 6.512 7.876 -0.320 1.00 0.00 H new ATOM 0 HA VAL A 27 5.738 5.896 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 27 8.539 6.786 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.227 5.427 -3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.409 4.440 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.537 4.923 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.638 7.814 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.928 7.400 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.376 8.551 -2.795 1.00 0.00 H new ATOM 364 N VAL A 28 6.280 3.950 -0.853 1.00 0.00 N ATOM 365 CA VAL A 28 6.447 2.889 0.115 1.00 0.00 C ATOM 366 C VAL A 28 7.118 1.679 -0.528 1.00 0.00 C ATOM 367 O VAL A 28 6.946 1.423 -1.719 1.00 0.00 O ATOM 368 CB VAL A 28 5.103 2.483 0.768 1.00 0.00 C ATOM 369 CG1 VAL A 28 4.088 3.602 0.713 1.00 0.00 C ATOM 370 CG2 VAL A 28 4.545 1.213 0.173 1.00 0.00 C ATOM 0 H VAL A 28 5.835 3.670 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 28 7.091 3.270 0.908 1.00 0.00 H new ATOM 0 HB VAL A 28 5.316 2.285 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.160 3.275 1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.476 4.471 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.895 3.868 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.602 0.966 0.661 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.375 1.355 -0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.255 0.399 0.322 1.00 0.00 H new ATOM 380 N ARG A 29 7.889 0.953 0.271 1.00 0.00 N ATOM 381 CA ARG A 29 8.638 -0.206 -0.200 1.00 0.00 C ATOM 382 C ARG A 29 8.421 -1.391 0.722 1.00 0.00 C ATOM 383 O ARG A 29 8.775 -1.344 1.894 1.00 0.00 O ATOM 384 CB ARG A 29 10.137 0.112 -0.257 1.00 0.00 C ATOM 385 CG ARG A 29 10.514 1.178 -1.272 1.00 0.00 C ATOM 386 CD ARG A 29 12.023 1.345 -1.364 1.00 0.00 C ATOM 387 NE ARG A 29 12.536 2.331 -0.414 1.00 0.00 N ATOM 388 CZ ARG A 29 13.121 2.029 0.746 1.00 0.00 C ATOM 389 NH1 ARG A 29 13.230 0.761 1.133 1.00 0.00 N ATOM 390 NH2 ARG A 29 13.608 2.998 1.512 1.00 0.00 N ATOM 0 H ARG A 29 8.013 1.151 1.264 1.00 0.00 H new ATOM 0 HA ARG A 29 8.279 -0.453 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.465 0.436 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.682 -0.803 -0.490 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.116 0.909 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.057 2.127 -0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.504 0.384 -1.180 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.291 1.647 -2.376 1.00 0.00 H new ATOM 0 HE ARG A 29 12.440 3.317 -0.655 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.865 0.014 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.678 0.536 2.021 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.534 3.970 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.056 2.770 2.400 1.00 0.00 H new ATOM 404 N TRP A 30 7.895 -2.462 0.163 1.00 0.00 N ATOM 405 CA TRP A 30 7.540 -3.650 0.935 1.00 0.00 C ATOM 406 C TRP A 30 8.463 -4.816 0.592 1.00 0.00 C ATOM 407 O TRP A 30 8.888 -4.965 -0.555 1.00 0.00 O ATOM 408 CB TRP A 30 6.065 -4.030 0.689 1.00 0.00 C ATOM 409 CG TRP A 30 5.713 -4.204 -0.750 1.00 0.00 C ATOM 410 CD1 TRP A 30 5.892 -5.318 -1.492 1.00 0.00 C ATOM 411 CD2 TRP A 30 5.088 -3.250 -1.608 1.00 0.00 C ATOM 412 NE1 TRP A 30 5.463 -5.112 -2.774 1.00 0.00 N ATOM 413 CE2 TRP A 30 4.948 -3.856 -2.868 1.00 0.00 C ATOM 414 CE3 TRP A 30 4.639 -1.947 -1.440 1.00 0.00 C ATOM 415 CZ2 TRP A 30 4.380 -3.201 -3.949 1.00 0.00 C ATOM 416 CZ3 TRP A 30 4.069 -1.303 -2.514 1.00 0.00 C ATOM 417 CH2 TRP A 30 3.942 -1.928 -3.750 1.00 0.00 C ATOM 0 H TRP A 30 7.700 -2.540 -0.835 1.00 0.00 H new ATOM 0 HA TRP A 30 7.665 -3.422 1.993 1.00 0.00 H new ATOM 0 HB2 TRP A 30 5.846 -4.956 1.220 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.426 -3.258 1.118 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.314 -6.242 -1.125 1.00 0.00 H new ATOM 0 HE1 TRP A 30 5.520 -5.789 -3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.735 -1.449 -0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.289 -3.682 -4.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 3.713 -0.291 -2.395 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.486 -1.392 -4.569 1.00 0.00 H new ATOM 428 N SER A 31 8.790 -5.623 1.591 1.00 0.00 N ATOM 429 CA SER A 31 9.614 -6.802 1.378 1.00 0.00 C ATOM 430 C SER A 31 8.722 -8.005 1.087 1.00 0.00 C ATOM 431 O SER A 31 8.201 -8.639 1.998 1.00 0.00 O ATOM 432 CB SER A 31 10.499 -7.064 2.599 1.00 0.00 C ATOM 433 OG SER A 31 11.457 -8.074 2.329 1.00 0.00 O ATOM 0 H SER A 31 8.497 -5.482 2.558 1.00 0.00 H new ATOM 0 HA SER A 31 10.266 -6.633 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.008 -6.144 2.887 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.879 -7.363 3.444 1.00 0.00 H new ATOM 0 HG SER A 31 12.010 -8.221 3.124 1.00 0.00 H new ATOM 439 N ARG A 32 8.549 -8.285 -0.199 1.00 0.00 N ATOM 440 CA ARG A 32 7.630 -9.314 -0.691 1.00 0.00 C ATOM 441 C ARG A 32 7.793 -10.666 0.016 1.00 0.00 C ATOM 442 O ARG A 32 8.849 -10.975 0.575 1.00 0.00 O ATOM 443 CB ARG A 32 7.822 -9.484 -2.200 1.00 0.00 C ATOM 444 CG ARG A 32 7.839 -8.164 -2.946 1.00 0.00 C ATOM 445 CD ARG A 32 9.242 -7.597 -3.057 1.00 0.00 C ATOM 446 NE ARG A 32 9.750 -7.683 -4.425 1.00 0.00 N ATOM 447 CZ ARG A 32 11.042 -7.718 -4.744 1.00 0.00 C ATOM 448 NH1 ARG A 32 11.971 -7.638 -3.801 1.00 0.00 N ATOM 449 NH2 ARG A 32 11.403 -7.814 -6.015 1.00 0.00 N ATOM 0 H ARG A 32 9.049 -7.799 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 32 6.619 -8.973 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.758 -10.012 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.020 -10.108 -2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.424 -8.305 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.197 -7.448 -2.432 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.241 -6.556 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.908 -8.139 -2.386 1.00 0.00 H new ATOM 0 HE ARG A 32 9.070 -7.719 -5.185 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.698 -7.549 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.959 -7.666 -4.054 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.692 -7.861 -6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.392 -7.841 -6.264 1.00 0.00 H new ATOM 463 N PRO A 33 6.735 -11.498 -0.035 1.00 0.00 N ATOM 464 CA PRO A 33 6.648 -12.760 0.693 1.00 0.00 C ATOM 465 C PRO A 33 7.405 -13.882 0.005 1.00 0.00 C ATOM 466 O PRO A 33 7.779 -13.779 -1.163 1.00 0.00 O ATOM 467 CB PRO A 33 5.138 -13.082 0.673 1.00 0.00 C ATOM 468 CG PRO A 33 4.476 -11.919 0.012 1.00 0.00 C ATOM 469 CD PRO A 33 5.531 -11.290 -0.832 1.00 0.00 C ATOM 0 HA PRO A 33 7.081 -12.674 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.943 -14.004 0.126 1.00 0.00 H new ATOM 0 HB3 PRO A 33 4.756 -13.225 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.629 -12.241 -0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.091 -11.215 0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.605 -11.764 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.336 -10.232 -1.005 1.00 0.00 H new ATOM 477 N GLN A 34 7.616 -14.955 0.748 1.00 0.00 N ATOM 478 CA GLN A 34 8.189 -16.175 0.207 1.00 0.00 C ATOM 479 C GLN A 34 7.102 -16.944 -0.540 1.00 0.00 C ATOM 480 O GLN A 34 7.364 -17.923 -1.241 1.00 0.00 O ATOM 481 CB GLN A 34 8.766 -17.012 1.344 1.00 0.00 C ATOM 482 CG GLN A 34 9.420 -18.311 0.905 1.00 0.00 C ATOM 483 CD GLN A 34 9.796 -19.190 2.078 1.00 0.00 C ATOM 484 OE1 GLN A 34 10.910 -19.110 2.602 1.00 0.00 O ATOM 485 NE2 GLN A 34 8.864 -20.025 2.510 1.00 0.00 N ATOM 0 H GLN A 34 7.395 -15.005 1.743 1.00 0.00 H new ATOM 0 HA GLN A 34 8.995 -15.940 -0.489 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.502 -16.413 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.967 -17.243 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.739 -18.855 0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.313 -18.087 0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.956 -20.059 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.054 -20.634 3.306 1.00 0.00 H new ATOM 494 N ALA A 35 5.873 -16.483 -0.361 1.00 0.00 N ATOM 495 CA ALA A 35 4.713 -17.053 -1.024 1.00 0.00 C ATOM 496 C ALA A 35 4.696 -16.706 -2.501 1.00 0.00 C ATOM 497 O ALA A 35 5.014 -15.575 -2.879 1.00 0.00 O ATOM 498 CB ALA A 35 3.442 -16.522 -0.385 1.00 0.00 C ATOM 0 H ALA A 35 5.653 -15.698 0.252 1.00 0.00 H new ATOM 0 HA ALA A 35 4.768 -18.136 -0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.575 -16.953 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.424 -16.795 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.413 -15.436 -0.480 1.00 0.00 H new ATOM 504 N PRO A 36 4.344 -17.668 -3.359 1.00 0.00 N ATOM 505 CA PRO A 36 4.021 -17.369 -4.744 1.00 0.00 C ATOM 506 C PRO A 36 2.746 -16.537 -4.807 1.00 0.00 C ATOM 507 O PRO A 36 1.667 -16.998 -4.433 1.00 0.00 O ATOM 508 CB PRO A 36 3.801 -18.747 -5.385 1.00 0.00 C ATOM 509 CG PRO A 36 4.385 -19.730 -4.425 1.00 0.00 C ATOM 510 CD PRO A 36 4.264 -19.105 -3.066 1.00 0.00 C ATOM 0 HA PRO A 36 4.798 -16.797 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.741 -18.940 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.289 -18.810 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.851 -20.680 -4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.427 -19.939 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.323 -19.367 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.065 -19.427 -2.400 1.00 0.00 H new ATOM 518 N ILE A 37 2.887 -15.314 -5.274 1.00 0.00 N ATOM 519 CA ILE A 37 1.780 -14.376 -5.358 1.00 0.00 C ATOM 520 C ILE A 37 1.586 -13.982 -6.824 1.00 0.00 C ATOM 521 O ILE A 37 2.520 -14.084 -7.617 1.00 0.00 O ATOM 522 CB ILE A 37 2.075 -13.118 -4.495 1.00 0.00 C ATOM 523 CG1 ILE A 37 3.385 -12.489 -4.972 1.00 0.00 C ATOM 524 CG2 ILE A 37 2.128 -13.450 -2.989 1.00 0.00 C ATOM 525 CD1 ILE A 37 4.179 -11.798 -3.893 1.00 0.00 C ATOM 0 H ILE A 37 3.775 -14.938 -5.608 1.00 0.00 H new ATOM 0 HA ILE A 37 0.870 -14.841 -4.978 1.00 0.00 H new ATOM 0 HB ILE A 37 1.260 -12.405 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.004 -13.267 -5.419 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.161 -11.768 -5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.337 -12.542 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.170 -13.862 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.915 -14.181 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.091 -11.382 -4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.583 -10.995 -3.460 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.439 -12.517 -3.116 1.00 0.00 H new ATOM 537 N THR A 38 0.380 -13.575 -7.195 1.00 0.00 N ATOM 538 CA THR A 38 0.085 -13.214 -8.577 1.00 0.00 C ATOM 539 C THR A 38 0.196 -11.718 -8.836 1.00 0.00 C ATOM 540 O THR A 38 0.392 -11.301 -9.979 1.00 0.00 O ATOM 541 CB THR A 38 -1.310 -13.684 -9.000 1.00 0.00 C ATOM 542 OG1 THR A 38 -2.263 -13.401 -7.971 1.00 0.00 O ATOM 543 CG2 THR A 38 -1.304 -15.159 -9.313 1.00 0.00 C ATOM 0 H THR A 38 -0.412 -13.486 -6.558 1.00 0.00 H new ATOM 0 HA THR A 38 0.842 -13.724 -9.174 1.00 0.00 H new ATOM 0 HB THR A 38 -1.595 -13.142 -9.902 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.150 -13.705 -8.254 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.305 -15.472 -9.611 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.605 -15.356 -10.126 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.998 -15.717 -8.428 1.00 0.00 H new ATOM 551 N GLY A 39 0.053 -10.905 -7.803 1.00 0.00 N ATOM 552 CA GLY A 39 0.182 -9.478 -7.986 1.00 0.00 C ATOM 553 C GLY A 39 0.140 -8.740 -6.679 1.00 0.00 C ATOM 554 O GLY A 39 0.317 -9.350 -5.635 1.00 0.00 O ATOM 0 H GLY A 39 -0.148 -11.205 -6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.121 -9.261 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.621 -9.121 -8.631 1.00 0.00 H new ATOM 558 N TYR A 40 -0.098 -7.440 -6.735 1.00 0.00 N ATOM 559 CA TYR A 40 -0.278 -6.625 -5.542 1.00 0.00 C ATOM 560 C TYR A 40 -1.362 -5.591 -5.746 1.00 0.00 C ATOM 561 O TYR A 40 -1.403 -4.917 -6.775 1.00 0.00 O ATOM 562 CB TYR A 40 1.000 -5.884 -5.163 1.00 0.00 C ATOM 563 CG TYR A 40 1.932 -6.670 -4.282 1.00 0.00 C ATOM 564 CD1 TYR A 40 2.424 -7.895 -4.678 1.00 0.00 C ATOM 565 CD2 TYR A 40 2.323 -6.177 -3.051 1.00 0.00 C ATOM 566 CE1 TYR A 40 3.282 -8.609 -3.883 1.00 0.00 C ATOM 567 CE2 TYR A 40 3.184 -6.885 -2.247 1.00 0.00 C ATOM 568 CZ TYR A 40 3.666 -8.096 -2.671 1.00 0.00 C ATOM 569 OH TYR A 40 4.530 -8.798 -1.879 1.00 0.00 O ATOM 0 H TYR A 40 -0.172 -6.919 -7.608 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.554 -7.314 -4.744 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.529 -5.605 -6.075 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.732 -4.958 -4.654 1.00 0.00 H new ATOM 0 HD1 TYR A 40 2.127 -8.300 -5.634 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.946 -5.222 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.653 -9.569 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.479 -6.489 -1.286 1.00 0.00 H new ATOM 0 HH TYR A 40 5.082 -9.384 -2.437 1.00 0.00 H new ATOM 579 N ARG A 41 -2.239 -5.474 -4.773 1.00 0.00 N ATOM 580 CA ARG A 41 -3.158 -4.353 -4.727 1.00 0.00 C ATOM 581 C ARG A 41 -2.688 -3.392 -3.669 1.00 0.00 C ATOM 582 O ARG A 41 -2.041 -3.794 -2.721 1.00 0.00 O ATOM 583 CB ARG A 41 -4.557 -4.809 -4.395 1.00 0.00 C ATOM 584 CG ARG A 41 -4.882 -6.164 -4.983 1.00 0.00 C ATOM 585 CD ARG A 41 -5.004 -6.119 -6.500 1.00 0.00 C ATOM 586 NE ARG A 41 -6.081 -5.234 -6.943 1.00 0.00 N ATOM 587 CZ ARG A 41 -6.880 -5.488 -7.978 1.00 0.00 C ATOM 588 NH1 ARG A 41 -6.736 -6.605 -8.685 1.00 0.00 N ATOM 589 NH2 ARG A 41 -7.828 -4.619 -8.298 1.00 0.00 N ATOM 0 H ARG A 41 -2.337 -6.138 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.178 -3.874 -5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.675 -4.849 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.272 -4.075 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.105 -6.875 -4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.816 -6.529 -4.556 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.060 -5.782 -6.929 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.185 -7.125 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.230 -4.367 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -6.009 -7.276 -8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.353 -6.791 -9.476 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.941 -3.764 -7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.445 -4.805 -9.089 1.00 0.00 H new ATOM 603 N ILE A 42 -2.955 -2.125 -3.847 1.00 0.00 N ATOM 604 CA ILE A 42 -2.493 -1.138 -2.881 1.00 0.00 C ATOM 605 C ILE A 42 -3.539 -0.083 -2.601 1.00 0.00 C ATOM 606 O ILE A 42 -3.744 0.800 -3.414 1.00 0.00 O ATOM 607 CB ILE A 42 -1.216 -0.449 -3.390 1.00 0.00 C ATOM 608 CG1 ILE A 42 -0.208 -1.498 -3.835 1.00 0.00 C ATOM 609 CG2 ILE A 42 -0.621 0.442 -2.310 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.933 -0.942 -4.636 1.00 0.00 C ATOM 0 H ILE A 42 -3.481 -1.747 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.288 -1.674 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.470 0.180 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.190 -2.002 -2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.722 -2.253 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.282 0.921 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.346 1.206 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.372 -0.161 -1.437 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.609 -1.750 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.547 -0.463 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.474 -0.208 -4.038 1.00 0.00 H new ATOM 622 N VAL A 43 -4.137 -0.128 -1.421 1.00 0.00 N ATOM 623 CA VAL A 43 -5.154 0.852 -1.072 1.00 0.00 C ATOM 624 C VAL A 43 -4.617 1.837 -0.058 1.00 0.00 C ATOM 625 O VAL A 43 -4.381 1.501 1.095 1.00 0.00 O ATOM 626 CB VAL A 43 -6.447 0.213 -0.519 1.00 0.00 C ATOM 627 CG1 VAL A 43 -7.383 1.277 0.020 1.00 0.00 C ATOM 628 CG2 VAL A 43 -7.148 -0.599 -1.590 1.00 0.00 C ATOM 0 H VAL A 43 -3.940 -0.821 -0.699 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.409 1.365 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.168 -0.454 0.297 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.287 0.805 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.889 1.823 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.647 1.969 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.056 -1.039 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.407 0.049 -2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.486 -1.392 -1.937 1.00 0.00 H new ATOM 638 N TYR A 44 -4.425 3.054 -0.503 1.00 0.00 N ATOM 639 CA TYR A 44 -4.009 4.121 0.367 1.00 0.00 C ATOM 640 C TYR A 44 -5.141 5.096 0.525 1.00 0.00 C ATOM 641 O TYR A 44 -5.701 5.601 -0.458 1.00 0.00 O ATOM 642 CB TYR A 44 -2.727 4.800 -0.139 1.00 0.00 C ATOM 643 CG TYR A 44 -2.617 4.901 -1.646 1.00 0.00 C ATOM 644 CD1 TYR A 44 -2.391 3.766 -2.415 1.00 0.00 C ATOM 645 CD2 TYR A 44 -2.717 6.123 -2.296 1.00 0.00 C ATOM 646 CE1 TYR A 44 -2.274 3.839 -3.783 1.00 0.00 C ATOM 647 CE2 TYR A 44 -2.603 6.208 -3.668 1.00 0.00 C ATOM 648 CZ TYR A 44 -2.378 5.066 -4.406 1.00 0.00 C ATOM 649 OH TYR A 44 -2.265 5.157 -5.770 1.00 0.00 O ATOM 0 H TYR A 44 -4.553 3.330 -1.476 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.763 3.709 1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.672 5.803 0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.866 4.248 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.305 2.806 -1.928 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.887 7.020 -1.719 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.102 2.945 -4.364 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.690 7.165 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.364 6.092 -6.045 1.00 0.00 H new ATOM 659 N SER A 45 -5.484 5.315 1.776 1.00 0.00 N ATOM 660 CA SER A 45 -6.657 6.089 2.129 1.00 0.00 C ATOM 661 C SER A 45 -6.385 6.948 3.364 1.00 0.00 C ATOM 662 O SER A 45 -5.721 6.505 4.304 1.00 0.00 O ATOM 663 CB SER A 45 -7.830 5.137 2.389 1.00 0.00 C ATOM 664 OG SER A 45 -9.054 5.842 2.510 1.00 0.00 O ATOM 0 H SER A 45 -4.959 4.963 2.577 1.00 0.00 H new ATOM 0 HA SER A 45 -6.907 6.756 1.304 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.903 4.417 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.644 4.569 3.301 1.00 0.00 H new ATOM 0 HG SER A 45 -9.782 5.207 2.674 1.00 0.00 H new ATOM 670 N PRO A 46 -6.875 8.198 3.356 1.00 0.00 N ATOM 671 CA PRO A 46 -6.770 9.115 4.500 1.00 0.00 C ATOM 672 C PRO A 46 -7.514 8.606 5.728 1.00 0.00 C ATOM 673 O PRO A 46 -8.489 7.862 5.619 1.00 0.00 O ATOM 674 CB PRO A 46 -7.421 10.392 3.998 1.00 0.00 C ATOM 675 CG PRO A 46 -7.411 10.282 2.517 1.00 0.00 C ATOM 676 CD PRO A 46 -7.564 8.825 2.221 1.00 0.00 C ATOM 0 HA PRO A 46 -5.734 9.238 4.817 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -8.438 10.491 4.378 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.870 11.271 4.331 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.224 10.859 2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.481 10.671 2.101 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.612 8.529 2.168 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.108 8.554 1.269 1.00 0.00 H new ATOM 684 N SER A 47 -7.049 9.036 6.893 1.00 0.00 N ATOM 685 CA SER A 47 -7.585 8.567 8.161 1.00 0.00 C ATOM 686 C SER A 47 -8.976 9.143 8.427 1.00 0.00 C ATOM 687 O SER A 47 -9.794 8.506 9.091 1.00 0.00 O ATOM 688 CB SER A 47 -6.625 8.931 9.300 1.00 0.00 C ATOM 689 OG SER A 47 -7.007 8.323 10.525 1.00 0.00 O ATOM 0 H SER A 47 -6.294 9.716 6.985 1.00 0.00 H new ATOM 0 HA SER A 47 -7.683 7.483 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.614 8.618 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.601 10.014 9.423 1.00 0.00 H new ATOM 0 HG SER A 47 -6.372 8.576 11.228 1.00 0.00 H new ATOM 695 N VAL A 48 -9.249 10.350 7.934 1.00 0.00 N ATOM 696 CA VAL A 48 -10.575 10.930 8.105 1.00 0.00 C ATOM 697 C VAL A 48 -11.277 11.175 6.763 1.00 0.00 C ATOM 698 O VAL A 48 -12.457 10.851 6.619 1.00 0.00 O ATOM 699 CB VAL A 48 -10.518 12.241 8.926 1.00 0.00 C ATOM 700 CG1 VAL A 48 -9.525 13.216 8.327 1.00 0.00 C ATOM 701 CG2 VAL A 48 -11.892 12.879 9.023 1.00 0.00 C ATOM 0 H VAL A 48 -8.585 10.933 7.424 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.163 10.199 8.660 1.00 0.00 H new ATOM 0 HB VAL A 48 -10.184 11.988 9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.505 14.128 8.924 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.532 12.766 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.822 13.457 7.306 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.826 13.799 9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.258 13.108 8.022 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -12.580 12.189 9.512 1.00 0.00 H new ATOM 711 N GLU A 49 -10.547 11.688 5.774 1.00 0.00 N ATOM 712 CA GLU A 49 -11.123 11.960 4.454 1.00 0.00 C ATOM 713 C GLU A 49 -10.065 12.537 3.517 1.00 0.00 C ATOM 714 O GLU A 49 -9.108 13.171 3.965 1.00 0.00 O ATOM 715 CB GLU A 49 -12.307 12.933 4.566 1.00 0.00 C ATOM 716 CG GLU A 49 -13.079 13.115 3.267 1.00 0.00 C ATOM 717 CD GLU A 49 -13.504 11.795 2.657 1.00 0.00 C ATOM 718 OE1 GLU A 49 -14.589 11.289 3.009 1.00 0.00 O ATOM 719 OE2 GLU A 49 -12.749 11.248 1.829 1.00 0.00 O ATOM 0 H GLU A 49 -9.558 11.924 5.859 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.483 11.017 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.990 12.573 5.336 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.937 13.904 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.962 13.726 3.455 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.461 13.659 2.553 1.00 0.00 H new ATOM 726 N GLY A 50 -10.243 12.304 2.224 1.00 0.00 N ATOM 727 CA GLY A 50 -9.309 12.788 1.231 1.00 0.00 C ATOM 728 C GLY A 50 -9.272 11.884 0.017 1.00 0.00 C ATOM 729 O GLY A 50 -10.227 11.153 -0.243 1.00 0.00 O ATOM 0 H GLY A 50 -11.031 11.780 1.842 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -9.590 13.796 0.927 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.313 12.853 1.668 1.00 0.00 H new ATOM 733 N SER A 51 -8.171 11.915 -0.716 1.00 0.00 N ATOM 734 CA SER A 51 -8.037 11.110 -1.919 1.00 0.00 C ATOM 735 C SER A 51 -7.504 9.718 -1.584 1.00 0.00 C ATOM 736 O SER A 51 -6.442 9.583 -0.979 1.00 0.00 O ATOM 737 CB SER A 51 -7.113 11.817 -2.913 1.00 0.00 C ATOM 738 OG SER A 51 -7.008 11.097 -4.129 1.00 0.00 O ATOM 0 H SER A 51 -7.357 12.489 -0.499 1.00 0.00 H new ATOM 0 HA SER A 51 -9.021 10.990 -2.373 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.492 12.819 -3.114 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.123 11.933 -2.472 1.00 0.00 H new ATOM 0 HG SER A 51 -6.176 11.344 -4.585 1.00 0.00 H new ATOM 744 N SER A 52 -8.255 8.689 -1.953 1.00 0.00 N ATOM 745 CA SER A 52 -7.817 7.312 -1.762 1.00 0.00 C ATOM 746 C SER A 52 -7.677 6.616 -3.106 1.00 0.00 C ATOM 747 O SER A 52 -8.418 6.912 -4.045 1.00 0.00 O ATOM 748 CB SER A 52 -8.805 6.550 -0.877 1.00 0.00 C ATOM 749 OG SER A 52 -10.125 6.671 -1.377 1.00 0.00 O ATOM 0 H SER A 52 -9.173 8.782 -2.388 1.00 0.00 H new ATOM 0 HA SER A 52 -6.847 7.325 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.523 5.498 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 52 -8.760 6.936 0.141 1.00 0.00 H new ATOM 0 HG SER A 52 -10.741 6.175 -0.798 1.00 0.00 H new ATOM 755 N THR A 53 -6.713 5.719 -3.215 1.00 0.00 N ATOM 756 CA THR A 53 -6.476 5.029 -4.477 1.00 0.00 C ATOM 757 C THR A 53 -5.962 3.608 -4.247 1.00 0.00 C ATOM 758 O THR A 53 -5.363 3.322 -3.210 1.00 0.00 O ATOM 759 CB THR A 53 -5.466 5.819 -5.339 1.00 0.00 C ATOM 760 OG1 THR A 53 -5.876 7.190 -5.444 1.00 0.00 O ATOM 761 CG2 THR A 53 -5.337 5.225 -6.733 1.00 0.00 C ATOM 0 H THR A 53 -6.086 5.451 -2.456 1.00 0.00 H new ATOM 0 HA THR A 53 -7.428 4.966 -5.004 1.00 0.00 H new ATOM 0 HB THR A 53 -4.495 5.758 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.230 7.684 -5.991 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.618 5.806 -7.311 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.993 4.193 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.307 5.249 -7.230 1.00 0.00 H new ATOM 769 N GLU A 54 -6.231 2.723 -5.205 1.00 0.00 N ATOM 770 CA GLU A 54 -5.661 1.392 -5.219 1.00 0.00 C ATOM 771 C GLU A 54 -4.782 1.222 -6.454 1.00 0.00 C ATOM 772 O GLU A 54 -5.265 1.327 -7.583 1.00 0.00 O ATOM 773 CB GLU A 54 -6.752 0.315 -5.215 1.00 0.00 C ATOM 774 CG GLU A 54 -6.192 -1.099 -5.120 1.00 0.00 C ATOM 775 CD GLU A 54 -7.239 -2.176 -5.319 1.00 0.00 C ATOM 776 OE1 GLU A 54 -7.486 -2.559 -6.480 1.00 0.00 O ATOM 777 OE2 GLU A 54 -7.806 -2.664 -4.321 1.00 0.00 O ATOM 0 H GLU A 54 -6.852 2.916 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.062 1.273 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.425 0.491 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.346 0.404 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.408 -1.222 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.726 -1.232 -4.144 1.00 0.00 H new ATOM 784 N LEU A 55 -3.495 0.975 -6.247 1.00 0.00 N ATOM 785 CA LEU A 55 -2.609 0.681 -7.364 1.00 0.00 C ATOM 786 C LEU A 55 -2.448 -0.819 -7.509 1.00 0.00 C ATOM 787 O LEU A 55 -2.705 -1.570 -6.571 1.00 0.00 O ATOM 788 CB LEU A 55 -1.240 1.388 -7.241 1.00 0.00 C ATOM 789 CG LEU A 55 -1.312 2.903 -7.407 1.00 0.00 C ATOM 790 CD1 LEU A 55 0.067 3.511 -7.565 1.00 0.00 C ATOM 791 CD2 LEU A 55 -2.196 3.284 -8.586 1.00 0.00 C ATOM 0 H LEU A 55 -3.047 0.972 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.070 1.079 -8.268 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.810 1.159 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.563 0.981 -7.992 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.757 3.306 -6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.023 4.591 -7.681 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.666 3.289 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.551 3.091 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.229 4.369 -8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.789 2.852 -9.500 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.204 2.903 -8.423 1.00 0.00 H new ATOM 803 N ASN A 56 -2.085 -1.252 -8.698 1.00 0.00 N ATOM 804 CA ASN A 56 -1.894 -2.665 -8.965 1.00 0.00 C ATOM 805 C ASN A 56 -0.483 -2.896 -9.462 1.00 0.00 C ATOM 806 O ASN A 56 -0.113 -2.442 -10.546 1.00 0.00 O ATOM 807 CB ASN A 56 -2.909 -3.167 -9.996 1.00 0.00 C ATOM 808 CG ASN A 56 -2.793 -4.660 -10.248 1.00 0.00 C ATOM 809 OD1 ASN A 56 -2.040 -5.099 -11.114 1.00 0.00 O ATOM 810 ND2 ASN A 56 -3.556 -5.446 -9.506 1.00 0.00 N ATOM 0 H ASN A 56 -1.915 -0.644 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.050 -3.223 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.917 -2.938 -9.650 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.764 -2.631 -10.934 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.532 -6.457 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.168 -5.041 -8.797 1.00 0.00 H new ATOM 817 N LEU A 57 0.306 -3.594 -8.669 1.00 0.00 N ATOM 818 CA LEU A 57 1.698 -3.805 -8.987 1.00 0.00 C ATOM 819 C LEU A 57 1.915 -5.267 -9.303 1.00 0.00 C ATOM 820 O LEU A 57 1.126 -6.113 -8.899 1.00 0.00 O ATOM 821 CB LEU A 57 2.614 -3.361 -7.828 1.00 0.00 C ATOM 822 CG LEU A 57 2.688 -1.862 -7.561 1.00 0.00 C ATOM 823 CD1 LEU A 57 4.048 -1.502 -7.010 1.00 0.00 C ATOM 824 CD2 LEU A 57 2.402 -1.057 -8.807 1.00 0.00 C ATOM 0 H LEU A 57 0.002 -4.025 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 57 1.956 -3.198 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.276 -3.854 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.622 -3.722 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 57 1.922 -1.616 -6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.092 -0.429 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.217 -2.041 -6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.817 -1.776 -7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.464 0.006 -8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.134 -1.304 -9.576 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.401 -1.291 -9.170 1.00 0.00 H new ATOM 836 N PRO A 58 2.949 -5.582 -10.073 1.00 0.00 N ATOM 837 CA PRO A 58 3.306 -6.962 -10.341 1.00 0.00 C ATOM 838 C PRO A 58 3.736 -7.672 -9.062 1.00 0.00 C ATOM 839 O PRO A 58 4.242 -7.055 -8.129 1.00 0.00 O ATOM 840 CB PRO A 58 4.465 -6.866 -11.340 1.00 0.00 C ATOM 841 CG PRO A 58 4.966 -5.463 -11.254 1.00 0.00 C ATOM 842 CD PRO A 58 3.827 -4.619 -10.753 1.00 0.00 C ATOM 0 HA PRO A 58 2.470 -7.541 -10.734 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.253 -7.578 -11.093 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.130 -7.099 -12.351 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.819 -5.399 -10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 58 5.305 -5.114 -12.230 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.174 -3.843 -10.071 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.312 -4.116 -11.571 1.00 0.00 H new ATOM 850 N GLU A 59 3.478 -8.972 -9.036 1.00 0.00 N ATOM 851 CA GLU A 59 3.817 -9.864 -7.916 1.00 0.00 C ATOM 852 C GLU A 59 5.244 -9.669 -7.404 1.00 0.00 C ATOM 853 O GLU A 59 5.539 -9.951 -6.244 1.00 0.00 O ATOM 854 CB GLU A 59 3.644 -11.317 -8.362 1.00 0.00 C ATOM 855 CG GLU A 59 4.475 -11.683 -9.585 1.00 0.00 C ATOM 856 CD GLU A 59 4.301 -13.127 -10.005 1.00 0.00 C ATOM 857 OE1 GLU A 59 5.033 -13.996 -9.485 1.00 0.00 O ATOM 858 OE2 GLU A 59 3.441 -13.403 -10.869 1.00 0.00 O ATOM 0 H GLU A 59 3.017 -9.455 -9.807 1.00 0.00 H new ATOM 0 HA GLU A 59 3.143 -9.617 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.916 -11.976 -7.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.592 -11.498 -8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.197 -11.033 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.528 -11.496 -9.372 1.00 0.00 H new ATOM 865 N THR A 60 6.117 -9.192 -8.270 1.00 0.00 N ATOM 866 CA THR A 60 7.523 -9.041 -7.940 1.00 0.00 C ATOM 867 C THR A 60 7.866 -7.583 -7.611 1.00 0.00 C ATOM 868 O THR A 60 9.026 -7.244 -7.373 1.00 0.00 O ATOM 869 CB THR A 60 8.412 -9.560 -9.096 1.00 0.00 C ATOM 870 OG1 THR A 60 9.802 -9.400 -8.787 1.00 0.00 O ATOM 871 CG2 THR A 60 8.087 -8.843 -10.398 1.00 0.00 C ATOM 0 H THR A 60 5.875 -8.900 -9.217 1.00 0.00 H new ATOM 0 HA THR A 60 7.722 -9.640 -7.051 1.00 0.00 H new ATOM 0 HB THR A 60 8.201 -10.622 -9.219 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.941 -8.539 -8.339 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.726 -9.226 -11.194 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.042 -9.015 -10.657 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.260 -7.774 -10.277 1.00 0.00 H new ATOM 879 N ALA A 61 6.851 -6.728 -7.558 1.00 0.00 N ATOM 880 CA ALA A 61 7.068 -5.320 -7.252 1.00 0.00 C ATOM 881 C ALA A 61 7.328 -5.153 -5.770 1.00 0.00 C ATOM 882 O ALA A 61 6.916 -5.991 -4.969 1.00 0.00 O ATOM 883 CB ALA A 61 5.873 -4.486 -7.672 1.00 0.00 C ATOM 0 H ALA A 61 5.877 -6.983 -7.722 1.00 0.00 H new ATOM 0 HA ALA A 61 7.937 -4.972 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.058 -3.439 -7.433 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.715 -4.591 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.986 -4.828 -7.139 1.00 0.00 H new ATOM 889 N ASN A 62 8.004 -4.082 -5.398 1.00 0.00 N ATOM 890 CA ASN A 62 8.377 -3.891 -4.009 1.00 0.00 C ATOM 891 C ASN A 62 8.255 -2.437 -3.576 1.00 0.00 C ATOM 892 O ASN A 62 8.743 -2.070 -2.514 1.00 0.00 O ATOM 893 CB ASN A 62 9.808 -4.390 -3.772 1.00 0.00 C ATOM 894 CG ASN A 62 10.870 -3.532 -4.438 1.00 0.00 C ATOM 895 OD1 ASN A 62 11.152 -3.682 -5.629 1.00 0.00 O ATOM 896 ND2 ASN A 62 11.495 -2.658 -3.668 1.00 0.00 N ATOM 0 H ASN A 62 8.303 -3.339 -6.030 1.00 0.00 H new ATOM 0 HA ASN A 62 7.682 -4.473 -3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.999 -4.423 -2.699 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.894 -5.412 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.240 -2.078 -4.055 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.233 -2.563 -2.687 1.00 0.00 H new ATOM 903 N SER A 63 7.610 -1.606 -4.383 1.00 0.00 N ATOM 904 CA SER A 63 7.487 -0.188 -4.059 1.00 0.00 C ATOM 905 C SER A 63 6.363 0.458 -4.866 1.00 0.00 C ATOM 906 O SER A 63 6.254 0.223 -6.064 1.00 0.00 O ATOM 907 CB SER A 63 8.791 0.557 -4.387 1.00 0.00 C ATOM 908 OG SER A 63 9.930 -0.111 -3.872 1.00 0.00 O ATOM 0 H SER A 63 7.167 -1.884 -5.259 1.00 0.00 H new ATOM 0 HA SER A 63 7.270 -0.118 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.888 0.658 -5.468 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.745 1.565 -3.975 1.00 0.00 H new ATOM 0 HG SER A 63 9.671 -0.644 -3.092 1.00 0.00 H new ATOM 914 N VAL A 64 5.546 1.275 -4.215 1.00 0.00 N ATOM 915 CA VAL A 64 4.542 2.067 -4.926 1.00 0.00 C ATOM 916 C VAL A 64 4.764 3.551 -4.664 1.00 0.00 C ATOM 917 O VAL A 64 5.031 3.958 -3.523 1.00 0.00 O ATOM 918 CB VAL A 64 3.081 1.712 -4.542 1.00 0.00 C ATOM 919 CG1 VAL A 64 2.872 1.774 -3.056 1.00 0.00 C ATOM 920 CG2 VAL A 64 2.120 2.629 -5.238 1.00 0.00 C ATOM 0 H VAL A 64 5.555 1.409 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 64 4.670 1.829 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 64 2.893 0.688 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.838 1.520 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.539 1.066 -2.565 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.087 2.782 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.100 2.367 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.323 3.659 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.238 2.528 -6.317 1.00 0.00 H new ATOM 930 N THR A 65 4.695 4.350 -5.721 1.00 0.00 N ATOM 931 CA THR A 65 4.662 5.777 -5.591 1.00 0.00 C ATOM 932 C THR A 65 3.214 6.258 -5.673 1.00 0.00 C ATOM 933 O THR A 65 2.623 6.342 -6.751 1.00 0.00 O ATOM 934 CB THR A 65 5.501 6.406 -6.703 1.00 0.00 C ATOM 935 OG1 THR A 65 6.873 6.025 -6.539 1.00 0.00 O ATOM 936 CG2 THR A 65 5.378 7.927 -6.717 1.00 0.00 C ATOM 0 H THR A 65 4.661 4.016 -6.684 1.00 0.00 H new ATOM 0 HA THR A 65 5.077 6.074 -4.628 1.00 0.00 H new ATOM 0 HB THR A 65 5.125 6.040 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 65 7.412 6.426 -7.253 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.990 8.334 -7.522 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.336 8.206 -6.876 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.720 8.328 -5.763 1.00 0.00 H new ATOM 944 N LEU A 66 2.651 6.539 -4.519 1.00 0.00 N ATOM 945 CA LEU A 66 1.286 7.011 -4.412 1.00 0.00 C ATOM 946 C LEU A 66 1.242 8.473 -4.785 1.00 0.00 C ATOM 947 O LEU A 66 2.136 9.235 -4.409 1.00 0.00 O ATOM 948 CB LEU A 66 0.776 6.859 -2.989 1.00 0.00 C ATOM 949 CG LEU A 66 1.490 5.818 -2.144 1.00 0.00 C ATOM 950 CD1 LEU A 66 1.301 6.121 -0.686 1.00 0.00 C ATOM 951 CD2 LEU A 66 0.972 4.436 -2.479 1.00 0.00 C ATOM 0 H LEU A 66 3.129 6.446 -3.623 1.00 0.00 H new ATOM 0 HA LEU A 66 0.659 6.422 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.856 7.824 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.284 6.606 -3.027 1.00 0.00 H new ATOM 0 HG LEU A 66 2.557 5.848 -2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.816 5.369 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.711 7.106 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.238 6.108 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.489 3.696 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.098 4.390 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.151 4.226 -3.533 1.00 0.00 H new ATOM 963 N SER A 67 0.199 8.873 -5.483 1.00 0.00 N ATOM 964 CA SER A 67 0.114 10.221 -5.989 1.00 0.00 C ATOM 965 C SER A 67 -1.314 10.725 -5.873 1.00 0.00 C ATOM 966 O SER A 67 -2.229 9.951 -5.571 1.00 0.00 O ATOM 967 CB SER A 67 0.593 10.269 -7.444 1.00 0.00 C ATOM 968 OG SER A 67 0.691 11.602 -7.914 1.00 0.00 O ATOM 0 H SER A 67 -0.600 8.281 -5.711 1.00 0.00 H new ATOM 0 HA SER A 67 0.759 10.869 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.564 9.781 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.098 9.710 -8.074 1.00 0.00 H new ATOM 0 HG SER A 67 1.000 11.599 -8.844 1.00 0.00 H new ATOM 974 N ASP A 68 -1.484 12.021 -6.104 1.00 0.00 N ATOM 975 CA ASP A 68 -2.781 12.680 -6.006 1.00 0.00 C ATOM 976 C ASP A 68 -3.292 12.634 -4.566 1.00 0.00 C ATOM 977 O ASP A 68 -4.496 12.608 -4.316 1.00 0.00 O ATOM 978 CB ASP A 68 -3.787 12.040 -6.975 1.00 0.00 C ATOM 979 CG ASP A 68 -5.063 12.843 -7.118 1.00 0.00 C ATOM 980 OD1 ASP A 68 -4.981 14.037 -7.476 1.00 0.00 O ATOM 981 OD2 ASP A 68 -6.156 12.278 -6.897 1.00 0.00 O ATOM 0 H ASP A 68 -0.723 12.647 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.665 13.726 -6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.321 11.931 -7.954 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.032 11.037 -6.625 1.00 0.00 H new ATOM 986 N LEU A 69 -2.360 12.623 -3.613 1.00 0.00 N ATOM 987 CA LEU A 69 -2.716 12.672 -2.196 1.00 0.00 C ATOM 988 C LEU A 69 -3.137 14.092 -1.834 1.00 0.00 C ATOM 989 O LEU A 69 -3.225 14.958 -2.699 1.00 0.00 O ATOM 990 CB LEU A 69 -1.553 12.262 -1.274 1.00 0.00 C ATOM 991 CG LEU A 69 -0.652 11.126 -1.740 1.00 0.00 C ATOM 992 CD1 LEU A 69 0.446 10.905 -0.724 1.00 0.00 C ATOM 993 CD2 LEU A 69 -1.466 9.860 -1.895 1.00 0.00 C ATOM 0 H LEU A 69 -1.357 12.581 -3.796 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.529 11.962 -2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.929 13.140 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.973 11.983 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.209 11.386 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.091 10.092 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.035 11.816 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.004 10.647 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.818 9.049 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.914 9.596 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.253 10.022 -2.631 1.00 0.00 H new ATOM 1005 N GLN A 70 -3.419 14.322 -0.565 1.00 0.00 N ATOM 1006 CA GLN A 70 -3.714 15.661 -0.089 1.00 0.00 C ATOM 1007 C GLN A 70 -2.683 16.094 0.941 1.00 0.00 C ATOM 1008 O GLN A 70 -2.369 15.331 1.850 1.00 0.00 O ATOM 1009 CB GLN A 70 -5.092 15.715 0.547 1.00 0.00 C ATOM 1010 CG GLN A 70 -6.224 15.387 -0.401 1.00 0.00 C ATOM 1011 CD GLN A 70 -6.474 16.502 -1.397 1.00 0.00 C ATOM 1012 OE1 GLN A 70 -5.882 16.535 -2.474 1.00 0.00 O ATOM 1013 NE2 GLN A 70 -7.353 17.423 -1.048 1.00 0.00 N ATOM 0 H GLN A 70 -3.450 13.600 0.154 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.685 16.333 -0.947 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.121 15.018 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.253 16.713 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -5.992 14.467 -0.938 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.133 15.202 0.171 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.825 17.362 -0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.561 18.196 -1.681 1.00 0.00 H new ATOM 1022 N PRO A 71 -2.146 17.318 0.814 1.00 0.00 N ATOM 1023 CA PRO A 71 -1.177 17.860 1.771 1.00 0.00 C ATOM 1024 C PRO A 71 -1.778 18.052 3.162 1.00 0.00 C ATOM 1025 O PRO A 71 -2.842 18.658 3.310 1.00 0.00 O ATOM 1026 CB PRO A 71 -0.777 19.207 1.171 1.00 0.00 C ATOM 1027 CG PRO A 71 -1.872 19.563 0.225 1.00 0.00 C ATOM 1028 CD PRO A 71 -2.434 18.263 -0.279 1.00 0.00 C ATOM 0 HA PRO A 71 -0.335 17.183 1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.667 19.965 1.947 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.180 19.138 0.655 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.641 20.151 0.725 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.493 20.168 -0.599 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.504 18.337 -0.474 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -1.960 17.955 -1.211 1.00 0.00 H new ATOM 1036 N GLY A 72 -1.100 17.522 4.172 1.00 0.00 N ATOM 1037 CA GLY A 72 -1.572 17.655 5.535 1.00 0.00 C ATOM 1038 C GLY A 72 -2.656 16.651 5.861 1.00 0.00 C ATOM 1039 O GLY A 72 -3.611 16.962 6.571 1.00 0.00 O ATOM 0 H GLY A 72 -0.229 17.001 4.070 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.737 17.522 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.954 18.664 5.689 1.00 0.00 H new ATOM 1043 N VAL A 73 -2.514 15.443 5.332 1.00 0.00 N ATOM 1044 CA VAL A 73 -3.500 14.395 5.541 1.00 0.00 C ATOM 1045 C VAL A 73 -2.820 13.071 5.885 1.00 0.00 C ATOM 1046 O VAL A 73 -1.789 12.716 5.310 1.00 0.00 O ATOM 1047 CB VAL A 73 -4.418 14.223 4.299 1.00 0.00 C ATOM 1048 CG1 VAL A 73 -5.342 13.044 4.443 1.00 0.00 C ATOM 1049 CG2 VAL A 73 -5.268 15.444 4.062 1.00 0.00 C ATOM 0 H VAL A 73 -1.722 15.165 4.753 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.124 14.696 6.382 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.746 14.065 3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.966 12.960 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.754 12.134 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.976 13.183 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.896 15.286 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.899 15.623 4.933 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.625 16.308 3.896 1.00 0.00 H new ATOM 1059 N GLN A 74 -3.399 12.362 6.851 1.00 0.00 N ATOM 1060 CA GLN A 74 -2.886 11.084 7.302 1.00 0.00 C ATOM 1061 C GLN A 74 -3.225 10.012 6.282 1.00 0.00 C ATOM 1062 O GLN A 74 -4.393 9.788 5.980 1.00 0.00 O ATOM 1063 CB GLN A 74 -3.529 10.754 8.645 1.00 0.00 C ATOM 1064 CG GLN A 74 -2.686 9.886 9.572 1.00 0.00 C ATOM 1065 CD GLN A 74 -2.339 8.535 8.985 1.00 0.00 C ATOM 1066 OE1 GLN A 74 -3.087 7.572 9.128 1.00 0.00 O ATOM 1067 NE2 GLN A 74 -1.180 8.445 8.358 1.00 0.00 N ATOM 0 H GLN A 74 -4.241 12.665 7.341 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.803 11.128 7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.760 11.687 9.158 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.477 10.248 8.461 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.765 10.416 9.814 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.224 9.739 10.508 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.588 9.270 8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -0.877 7.551 7.971 1.00 0.00 H new ATOM 1076 N TYR A 75 -2.208 9.357 5.757 1.00 0.00 N ATOM 1077 CA TYR A 75 -2.406 8.358 4.726 1.00 0.00 C ATOM 1078 C TYR A 75 -2.043 6.962 5.195 1.00 0.00 C ATOM 1079 O TYR A 75 -0.889 6.672 5.505 1.00 0.00 O ATOM 1080 CB TYR A 75 -1.614 8.720 3.476 1.00 0.00 C ATOM 1081 CG TYR A 75 -2.447 9.503 2.497 1.00 0.00 C ATOM 1082 CD1 TYR A 75 -2.622 10.871 2.636 1.00 0.00 C ATOM 1083 CD2 TYR A 75 -3.090 8.859 1.451 1.00 0.00 C ATOM 1084 CE1 TYR A 75 -3.411 11.578 1.752 1.00 0.00 C ATOM 1085 CE2 TYR A 75 -3.883 9.557 0.570 1.00 0.00 C ATOM 1086 CZ TYR A 75 -4.038 10.916 0.723 1.00 0.00 C ATOM 1087 OH TYR A 75 -4.837 11.613 -0.152 1.00 0.00 O ATOM 0 H TYR A 75 -1.235 9.499 6.028 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.470 8.350 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.738 9.304 3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.251 7.810 2.999 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.134 11.391 3.447 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.966 7.793 1.326 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.535 12.645 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.381 9.041 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.406 10.986 -0.645 1.00 0.00 H new ATOM 1097 N ASN A 76 -3.050 6.112 5.264 1.00 0.00 N ATOM 1098 CA ASN A 76 -2.849 4.704 5.538 1.00 0.00 C ATOM 1099 C ASN A 76 -2.616 3.963 4.226 1.00 0.00 C ATOM 1100 O ASN A 76 -3.534 3.833 3.409 1.00 0.00 O ATOM 1101 CB ASN A 76 -4.071 4.106 6.248 1.00 0.00 C ATOM 1102 CG ASN A 76 -4.460 4.856 7.508 1.00 0.00 C ATOM 1103 OD1 ASN A 76 -5.236 5.809 7.459 1.00 0.00 O ATOM 1104 ND2 ASN A 76 -3.943 4.418 8.647 1.00 0.00 N ATOM 0 H ASN A 76 -4.026 6.378 5.132 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.981 4.597 6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.916 4.102 5.560 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -3.862 3.067 6.502 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -4.185 4.875 9.526 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.303 3.624 8.644 1.00 0.00 H new ATOM 1111 N ILE A 77 -1.388 3.515 4.007 1.00 0.00 N ATOM 1112 CA ILE A 77 -1.072 2.703 2.842 1.00 0.00 C ATOM 1113 C ILE A 77 -1.210 1.243 3.197 1.00 0.00 C ATOM 1114 O ILE A 77 -0.550 0.741 4.106 1.00 0.00 O ATOM 1115 CB ILE A 77 0.357 2.943 2.299 1.00 0.00 C ATOM 1116 CG1 ILE A 77 0.565 4.381 1.853 1.00 0.00 C ATOM 1117 CG2 ILE A 77 0.676 2.022 1.130 1.00 0.00 C ATOM 1118 CD1 ILE A 77 0.954 5.337 2.958 1.00 0.00 C ATOM 0 H ILE A 77 -0.595 3.700 4.621 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.774 2.993 2.060 1.00 0.00 H new ATOM 0 HB ILE A 77 1.030 2.726 3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.339 4.400 1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.354 4.739 1.388 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.688 2.220 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.602 0.984 1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.033 2.201 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.081 6.338 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.172 5.354 3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.891 5.010 3.409 1.00 0.00 H new ATOM 1130 N THR A 78 -2.089 0.580 2.495 1.00 0.00 N ATOM 1131 CA THR A 78 -2.339 -0.805 2.720 1.00 0.00 C ATOM 1132 C THR A 78 -1.864 -1.636 1.533 1.00 0.00 C ATOM 1133 O THR A 78 -2.388 -1.498 0.420 1.00 0.00 O ATOM 1134 CB THR A 78 -3.832 -1.022 2.960 1.00 0.00 C ATOM 1135 OG1 THR A 78 -4.268 -0.189 4.044 1.00 0.00 O ATOM 1136 CG2 THR A 78 -4.129 -2.475 3.282 1.00 0.00 C ATOM 0 H THR A 78 -2.650 0.993 1.750 1.00 0.00 H new ATOM 0 HA THR A 78 -1.784 -1.127 3.601 1.00 0.00 H new ATOM 0 HB THR A 78 -4.369 -0.758 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.226 -0.326 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.199 -2.600 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.815 -3.104 2.449 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.586 -2.767 4.181 1.00 0.00 H new ATOM 1144 N ILE A 79 -0.865 -2.486 1.768 1.00 0.00 N ATOM 1145 CA ILE A 79 -0.335 -3.333 0.694 1.00 0.00 C ATOM 1146 C ILE A 79 -0.997 -4.706 0.750 1.00 0.00 C ATOM 1147 O ILE A 79 -1.168 -5.277 1.826 1.00 0.00 O ATOM 1148 CB ILE A 79 1.209 -3.555 0.739 1.00 0.00 C ATOM 1149 CG1 ILE A 79 2.027 -2.289 0.942 1.00 0.00 C ATOM 1150 CG2 ILE A 79 1.687 -4.182 -0.543 1.00 0.00 C ATOM 1151 CD1 ILE A 79 1.643 -1.132 0.060 1.00 0.00 C ATOM 0 H ILE A 79 -0.412 -2.608 2.674 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.559 -2.796 -0.228 1.00 0.00 H new ATOM 0 HB ILE A 79 1.364 -4.201 1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.935 -1.978 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.078 -2.523 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.766 -4.330 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.194 -5.144 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.447 -3.526 -1.380 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.283 -0.278 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.764 -1.416 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.603 -0.863 0.245 1.00 0.00 H new ATOM 1163 N TYR A 80 -1.369 -5.223 -0.404 1.00 0.00 N ATOM 1164 CA TYR A 80 -1.990 -6.531 -0.507 1.00 0.00 C ATOM 1165 C TYR A 80 -1.195 -7.411 -1.467 1.00 0.00 C ATOM 1166 O TYR A 80 -1.187 -7.154 -2.677 1.00 0.00 O ATOM 1167 CB TYR A 80 -3.416 -6.410 -1.062 1.00 0.00 C ATOM 1168 CG TYR A 80 -4.337 -5.454 -0.329 1.00 0.00 C ATOM 1169 CD1 TYR A 80 -4.428 -4.108 -0.690 1.00 0.00 C ATOM 1170 CD2 TYR A 80 -5.149 -5.912 0.699 1.00 0.00 C ATOM 1171 CE1 TYR A 80 -5.305 -3.260 -0.045 1.00 0.00 C ATOM 1172 CE2 TYR A 80 -6.022 -5.064 1.352 1.00 0.00 C ATOM 1173 CZ TYR A 80 -6.097 -3.741 0.975 1.00 0.00 C ATOM 1174 OH TYR A 80 -6.979 -2.896 1.613 1.00 0.00 O ATOM 0 H TYR A 80 -1.250 -4.748 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.012 -6.968 0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.353 -6.095 -2.104 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.872 -7.400 -1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.804 -3.726 -1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.097 -6.950 0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -5.370 -2.223 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.643 -5.436 2.154 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.463 -3.391 2.307 1.00 0.00 H new ATOM 1184 N ALA A 81 -0.546 -8.448 -0.941 1.00 0.00 N ATOM 1185 CA ALA A 81 0.081 -9.457 -1.788 1.00 0.00 C ATOM 1186 C ALA A 81 -1.001 -10.412 -2.260 1.00 0.00 C ATOM 1187 O ALA A 81 -1.554 -11.178 -1.467 1.00 0.00 O ATOM 1188 CB ALA A 81 1.184 -10.217 -1.041 1.00 0.00 C ATOM 0 H ALA A 81 -0.442 -8.610 0.061 1.00 0.00 H new ATOM 0 HA ALA A 81 0.557 -8.970 -2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.627 -10.960 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.953 -9.516 -0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.757 -10.716 -0.171 1.00 0.00 H new ATOM 1194 N VAL A 82 -1.331 -10.349 -3.535 1.00 0.00 N ATOM 1195 CA VAL A 82 -2.448 -11.145 -4.042 1.00 0.00 C ATOM 1196 C VAL A 82 -1.946 -12.394 -4.734 1.00 0.00 C ATOM 1197 O VAL A 82 -0.943 -12.356 -5.435 1.00 0.00 O ATOM 1198 CB VAL A 82 -3.392 -10.359 -4.996 1.00 0.00 C ATOM 1199 CG1 VAL A 82 -2.681 -9.862 -6.228 1.00 0.00 C ATOM 1200 CG2 VAL A 82 -4.574 -11.217 -5.406 1.00 0.00 C ATOM 0 H VAL A 82 -0.859 -9.771 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.039 -11.416 -3.167 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.743 -9.490 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.384 -9.320 -6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.869 -9.196 -5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.275 -10.709 -6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.222 -10.649 -6.073 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.215 -12.108 -5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.135 -11.511 -4.519 1.00 0.00 H new ATOM 1210 N GLU A 83 -2.649 -13.495 -4.504 1.00 0.00 N ATOM 1211 CA GLU A 83 -2.326 -14.777 -5.093 1.00 0.00 C ATOM 1212 C GLU A 83 -3.491 -15.223 -5.983 1.00 0.00 C ATOM 1213 O GLU A 83 -4.565 -14.618 -5.928 1.00 0.00 O ATOM 1214 CB GLU A 83 -2.068 -15.782 -3.990 1.00 0.00 C ATOM 1215 CG GLU A 83 -1.578 -17.121 -4.489 1.00 0.00 C ATOM 1216 CD GLU A 83 -2.375 -18.274 -3.920 1.00 0.00 C ATOM 1217 OE1 GLU A 83 -3.556 -18.422 -4.303 1.00 0.00 O ATOM 1218 OE2 GLU A 83 -1.834 -19.033 -3.090 1.00 0.00 O ATOM 0 H GLU A 83 -3.468 -13.518 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 83 -1.428 -14.701 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.331 -15.370 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.987 -15.930 -3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.637 -17.144 -5.577 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.528 -17.243 -4.224 1.00 0.00 H new ATOM 1225 N GLU A 84 -3.270 -16.253 -6.805 1.00 0.00 N ATOM 1226 CA GLU A 84 -4.289 -16.785 -7.714 1.00 0.00 C ATOM 1227 C GLU A 84 -5.675 -16.849 -7.072 1.00 0.00 C ATOM 1228 O GLU A 84 -6.645 -16.332 -7.626 1.00 0.00 O ATOM 1229 CB GLU A 84 -3.899 -18.187 -8.186 1.00 0.00 C ATOM 1230 CG GLU A 84 -2.537 -18.261 -8.852 1.00 0.00 C ATOM 1231 CD GLU A 84 -2.272 -19.610 -9.478 1.00 0.00 C ATOM 1232 OE1 GLU A 84 -1.985 -20.570 -8.733 1.00 0.00 O ATOM 1233 OE2 GLU A 84 -2.356 -19.714 -10.720 1.00 0.00 O ATOM 0 H GLU A 84 -2.377 -16.743 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.339 -16.098 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.910 -18.863 -7.331 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.654 -18.546 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.468 -17.489 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.763 -18.048 -8.114 1.00 0.00 H new ATOM 1240 N ASN A 85 -5.769 -17.473 -5.903 1.00 0.00 N ATOM 1241 CA ASN A 85 -7.068 -17.679 -5.274 1.00 0.00 C ATOM 1242 C ASN A 85 -7.114 -17.098 -3.867 1.00 0.00 C ATOM 1243 O ASN A 85 -8.131 -17.204 -3.183 1.00 0.00 O ATOM 1244 CB ASN A 85 -7.410 -19.175 -5.201 1.00 0.00 C ATOM 1245 CG ASN A 85 -7.311 -19.881 -6.540 1.00 0.00 C ATOM 1246 OD1 ASN A 85 -8.252 -19.885 -7.332 1.00 0.00 O ATOM 1247 ND2 ASN A 85 -6.176 -20.511 -6.792 1.00 0.00 N ATOM 0 H ASN A 85 -4.975 -17.840 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.800 -17.162 -5.894 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.738 -19.660 -4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.421 -19.290 -4.812 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.060 -21.022 -7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.417 -20.486 -6.111 1.00 0.00 H new ATOM 1254 N GLN A 86 -6.026 -16.478 -3.423 1.00 0.00 N ATOM 1255 CA GLN A 86 -5.939 -16.049 -2.033 1.00 0.00 C ATOM 1256 C GLN A 86 -5.394 -14.634 -1.917 1.00 0.00 C ATOM 1257 O GLN A 86 -4.956 -14.042 -2.902 1.00 0.00 O ATOM 1258 CB GLN A 86 -5.054 -17.006 -1.229 1.00 0.00 C ATOM 1259 CG GLN A 86 -5.477 -18.463 -1.329 1.00 0.00 C ATOM 1260 CD GLN A 86 -4.666 -19.374 -0.432 1.00 0.00 C ATOM 1261 OE1 GLN A 86 -5.040 -19.629 0.712 1.00 0.00 O ATOM 1262 NE2 GLN A 86 -3.543 -19.860 -0.933 1.00 0.00 N ATOM 0 H GLN A 86 -5.207 -16.265 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 86 -6.950 -16.062 -1.626 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.025 -16.912 -1.575 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.067 -16.705 -0.182 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.532 -18.549 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.377 -18.795 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.266 -19.626 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -2.953 -20.469 -0.366 1.00 0.00 H new ATOM 1271 N GLU A 87 -5.436 -14.105 -0.705 1.00 0.00 N ATOM 1272 CA GLU A 87 -4.901 -12.784 -0.411 1.00 0.00 C ATOM 1273 C GLU A 87 -4.127 -12.829 0.895 1.00 0.00 C ATOM 1274 O GLU A 87 -4.633 -13.329 1.905 1.00 0.00 O ATOM 1275 CB GLU A 87 -6.022 -11.748 -0.287 1.00 0.00 C ATOM 1276 CG GLU A 87 -6.862 -11.579 -1.538 1.00 0.00 C ATOM 1277 CD GLU A 87 -8.017 -10.626 -1.329 1.00 0.00 C ATOM 1278 OE1 GLU A 87 -9.089 -11.076 -0.869 1.00 0.00 O ATOM 1279 OE2 GLU A 87 -7.861 -9.421 -1.618 1.00 0.00 O ATOM 0 H GLU A 87 -5.841 -14.578 0.103 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.245 -12.494 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.675 -12.034 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.583 -10.785 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.233 -11.212 -2.349 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.247 -12.550 -1.849 1.00 0.00 H new ATOM 1286 N SER A 88 -2.904 -12.326 0.871 1.00 0.00 N ATOM 1287 CA SER A 88 -2.094 -12.243 2.072 1.00 0.00 C ATOM 1288 C SER A 88 -2.672 -11.208 3.029 1.00 0.00 C ATOM 1289 O SER A 88 -3.484 -10.368 2.629 1.00 0.00 O ATOM 1290 CB SER A 88 -0.663 -11.863 1.705 1.00 0.00 C ATOM 1291 OG SER A 88 -0.121 -12.763 0.754 1.00 0.00 O ATOM 0 H SER A 88 -2.451 -11.969 0.030 1.00 0.00 H new ATOM 0 HA SER A 88 -2.095 -13.216 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.645 -10.850 1.302 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.043 -11.861 2.602 1.00 0.00 H new ATOM 0 HG SER A 88 0.809 -12.964 0.987 1.00 0.00 H new ATOM 1297 N THR A 89 -2.268 -11.278 4.292 1.00 0.00 N ATOM 1298 CA THR A 89 -2.660 -10.277 5.271 1.00 0.00 C ATOM 1299 C THR A 89 -2.211 -8.886 4.816 1.00 0.00 C ATOM 1300 O THR A 89 -1.244 -8.745 4.071 1.00 0.00 O ATOM 1301 CB THR A 89 -2.079 -10.607 6.662 1.00 0.00 C ATOM 1302 OG1 THR A 89 -0.788 -11.217 6.533 1.00 0.00 O ATOM 1303 CG2 THR A 89 -3.010 -11.537 7.428 1.00 0.00 C ATOM 0 H THR A 89 -1.670 -12.018 4.660 1.00 0.00 H new ATOM 0 HA THR A 89 -3.747 -10.284 5.351 1.00 0.00 H new ATOM 0 HB THR A 89 -1.980 -9.674 7.216 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.431 -11.419 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.581 -11.757 8.406 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.980 -11.056 7.557 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.137 -12.465 6.871 1.00 0.00 H new ATOM 1311 N PRO A 90 -2.925 -7.837 5.226 1.00 0.00 N ATOM 1312 CA PRO A 90 -2.672 -6.494 4.733 1.00 0.00 C ATOM 1313 C PRO A 90 -1.527 -5.781 5.451 1.00 0.00 C ATOM 1314 O PRO A 90 -1.359 -5.896 6.667 1.00 0.00 O ATOM 1315 CB PRO A 90 -3.997 -5.782 4.996 1.00 0.00 C ATOM 1316 CG PRO A 90 -4.578 -6.470 6.188 1.00 0.00 C ATOM 1317 CD PRO A 90 -4.038 -7.874 6.193 1.00 0.00 C ATOM 0 HA PRO A 90 -2.361 -6.503 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.843 -4.721 5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.662 -5.856 4.135 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.305 -5.949 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.667 -6.476 6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.694 -8.165 7.186 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.800 -8.595 5.896 1.00 0.00 H new ATOM 1325 N VAL A 91 -0.744 -5.054 4.671 1.00 0.00 N ATOM 1326 CA VAL A 91 0.225 -4.104 5.191 1.00 0.00 C ATOM 1327 C VAL A 91 -0.495 -2.819 5.505 1.00 0.00 C ATOM 1328 O VAL A 91 -1.128 -2.268 4.617 1.00 0.00 O ATOM 1329 CB VAL A 91 1.271 -3.734 4.135 1.00 0.00 C ATOM 1330 CG1 VAL A 91 1.946 -2.429 4.523 1.00 0.00 C ATOM 1331 CG2 VAL A 91 2.297 -4.830 3.939 1.00 0.00 C ATOM 0 H VAL A 91 -0.763 -5.107 3.653 1.00 0.00 H new ATOM 0 HA VAL A 91 0.703 -4.560 6.058 1.00 0.00 H new ATOM 0 HB VAL A 91 0.758 -3.609 3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.690 -2.167 3.771 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.199 -1.638 4.586 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.434 -2.545 5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.018 -4.523 3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.816 -5.015 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.797 -5.743 3.615 1.00 0.00 H new ATOM 1341 N VAL A 92 -0.413 -2.338 6.727 1.00 0.00 N ATOM 1342 CA VAL A 92 -0.932 -1.017 7.016 1.00 0.00 C ATOM 1343 C VAL A 92 0.176 -0.135 7.578 1.00 0.00 C ATOM 1344 O VAL A 92 0.619 -0.315 8.712 1.00 0.00 O ATOM 1345 CB VAL A 92 -2.126 -1.045 7.991 1.00 0.00 C ATOM 1346 CG1 VAL A 92 -2.820 0.307 7.993 1.00 0.00 C ATOM 1347 CG2 VAL A 92 -3.109 -2.147 7.622 1.00 0.00 C ATOM 0 H VAL A 92 -0.002 -2.828 7.521 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.297 -0.605 6.075 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.750 -1.256 8.992 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.663 0.282 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.116 1.077 8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.180 0.533 6.989 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.941 -2.143 8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.486 -1.975 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.605 -3.113 7.661 1.00 0.00 H new ATOM 1357 N ILE A 93 0.636 0.792 6.755 1.00 0.00 N ATOM 1358 CA ILE A 93 1.648 1.756 7.153 1.00 0.00 C ATOM 1359 C ILE A 93 1.096 3.165 7.007 1.00 0.00 C ATOM 1360 O ILE A 93 0.763 3.601 5.906 1.00 0.00 O ATOM 1361 CB ILE A 93 2.943 1.608 6.318 1.00 0.00 C ATOM 1362 CG1 ILE A 93 2.616 1.398 4.845 1.00 0.00 C ATOM 1363 CG2 ILE A 93 3.784 0.458 6.843 1.00 0.00 C ATOM 1364 CD1 ILE A 93 3.800 1.620 3.948 1.00 0.00 C ATOM 0 H ILE A 93 0.318 0.898 5.792 1.00 0.00 H new ATOM 0 HA ILE A 93 1.903 1.564 8.195 1.00 0.00 H new ATOM 0 HB ILE A 93 3.517 2.530 6.412 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.242 0.384 4.702 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.814 2.077 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.691 0.368 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.052 0.648 7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.214 -0.469 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.507 1.456 2.911 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.159 2.642 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.594 0.923 4.215 1.00 0.00 H new ATOM 1376 N GLN A 94 0.968 3.866 8.117 1.00 0.00 N ATOM 1377 CA GLN A 94 0.341 5.173 8.097 1.00 0.00 C ATOM 1378 C GLN A 94 1.378 6.288 8.196 1.00 0.00 C ATOM 1379 O GLN A 94 2.180 6.338 9.127 1.00 0.00 O ATOM 1380 CB GLN A 94 -0.705 5.286 9.213 1.00 0.00 C ATOM 1381 CG GLN A 94 -0.143 5.165 10.623 1.00 0.00 C ATOM 1382 CD GLN A 94 -1.213 5.274 11.695 1.00 0.00 C ATOM 1383 OE1 GLN A 94 -1.091 4.691 12.772 1.00 0.00 O ATOM 1384 NE2 GLN A 94 -2.272 6.017 11.414 1.00 0.00 N ATOM 0 H GLN A 94 1.286 3.556 9.035 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.169 5.288 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.214 6.245 9.120 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -1.457 4.511 9.068 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.370 4.208 10.724 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.603 5.944 10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.341 6.486 10.511 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.019 6.120 12.100 1.00 0.00 H new ATOM 1393 N GLN A 95 1.362 7.166 7.208 1.00 0.00 N ATOM 1394 CA GLN A 95 2.250 8.315 7.167 1.00 0.00 C ATOM 1395 C GLN A 95 1.460 9.562 6.787 1.00 0.00 C ATOM 1396 O GLN A 95 0.644 9.523 5.871 1.00 0.00 O ATOM 1397 CB GLN A 95 3.363 8.073 6.144 1.00 0.00 C ATOM 1398 CG GLN A 95 4.765 8.050 6.739 1.00 0.00 C ATOM 1399 CD GLN A 95 5.138 9.332 7.466 1.00 0.00 C ATOM 1400 OE1 GLN A 95 4.571 10.455 7.050 1.00 0.00 O flip ATOM 1401 NE2 GLN A 95 5.933 9.312 8.404 1.00 0.00 N flip ATOM 0 H GLN A 95 0.731 7.102 6.409 1.00 0.00 H new ATOM 0 HA GLN A 95 2.696 8.460 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.178 7.124 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 95 3.317 8.852 5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 95 4.843 7.213 7.433 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.486 7.871 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.352 8.430 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.174 10.178 8.887 1.00 0.00 H new ATOM 1410 N GLU A 96 1.693 10.662 7.489 1.00 0.00 N ATOM 1411 CA GLU A 96 1.016 11.914 7.175 1.00 0.00 C ATOM 1412 C GLU A 96 1.785 12.656 6.101 1.00 0.00 C ATOM 1413 O GLU A 96 3.010 12.754 6.161 1.00 0.00 O ATOM 1414 CB GLU A 96 0.882 12.825 8.400 1.00 0.00 C ATOM 1415 CG GLU A 96 -0.001 12.282 9.509 1.00 0.00 C ATOM 1416 CD GLU A 96 0.675 11.208 10.336 1.00 0.00 C ATOM 1417 OE1 GLU A 96 1.330 11.556 11.338 1.00 0.00 O ATOM 1418 OE2 GLU A 96 0.557 10.015 9.991 1.00 0.00 O ATOM 0 H GLU A 96 2.341 10.714 8.275 1.00 0.00 H new ATOM 0 HA GLU A 96 0.014 11.659 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.876 13.012 8.806 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.484 13.787 8.077 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -0.298 13.102 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -0.913 11.875 9.073 1.00 0.00 H new ATOM 1425 N THR A 97 1.066 13.171 5.123 1.00 0.00 N ATOM 1426 CA THR A 97 1.675 13.929 4.049 1.00 0.00 C ATOM 1427 C THR A 97 2.246 15.238 4.583 1.00 0.00 C ATOM 1428 O THR A 97 1.540 16.036 5.203 1.00 0.00 O ATOM 1429 CB THR A 97 0.650 14.217 2.944 1.00 0.00 C ATOM 1430 OG1 THR A 97 -0.497 14.853 3.510 1.00 0.00 O ATOM 1431 CG2 THR A 97 0.227 12.929 2.259 1.00 0.00 C ATOM 0 H THR A 97 0.053 13.077 5.051 1.00 0.00 H new ATOM 0 HA THR A 97 2.486 13.335 3.627 1.00 0.00 H new ATOM 0 HB THR A 97 1.109 14.873 2.205 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.998 15.312 2.804 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.500 13.154 1.479 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.099 12.450 1.815 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.222 12.258 2.991 1.00 0.00 H new ATOM 1439 N THR A 98 3.532 15.443 4.340 1.00 0.00 N ATOM 1440 CA THR A 98 4.245 16.586 4.881 1.00 0.00 C ATOM 1441 C THR A 98 3.779 17.882 4.231 1.00 0.00 C ATOM 1442 O THR A 98 3.764 18.941 4.859 1.00 0.00 O ATOM 1443 CB THR A 98 5.754 16.425 4.646 1.00 0.00 C ATOM 1444 OG1 THR A 98 6.166 15.111 5.044 1.00 0.00 O ATOM 1445 CG2 THR A 98 6.547 17.467 5.418 1.00 0.00 C ATOM 0 H THR A 98 4.106 14.825 3.766 1.00 0.00 H new ATOM 0 HA THR A 98 4.037 16.632 5.950 1.00 0.00 H new ATOM 0 HB THR A 98 5.950 16.568 3.583 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.129 15.010 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 98 7.612 17.326 5.231 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.250 18.464 5.093 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.349 17.359 6.484 1.00 0.00 H new ATOM 1453 N GLY A 99 3.385 17.784 2.974 1.00 0.00 N ATOM 1454 CA GLY A 99 2.925 18.949 2.256 1.00 0.00 C ATOM 1455 C GLY A 99 4.044 19.606 1.482 1.00 0.00 C ATOM 1456 O GLY A 99 4.909 18.922 0.928 1.00 0.00 O ATOM 0 H GLY A 99 3.376 16.917 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.128 18.663 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.499 19.665 2.959 1.00 0.00 H new ATOM 1460 N THR A 100 4.030 20.923 1.437 1.00 0.00 N ATOM 1461 CA THR A 100 5.065 21.671 0.749 1.00 0.00 C ATOM 1462 C THR A 100 5.413 22.931 1.531 1.00 0.00 C ATOM 1463 O THR A 100 4.520 23.689 1.911 1.00 0.00 O ATOM 1464 CB THR A 100 4.609 22.069 -0.670 1.00 0.00 C ATOM 1465 OG1 THR A 100 4.053 20.934 -1.347 1.00 0.00 O ATOM 1466 CG2 THR A 100 5.760 22.624 -1.481 1.00 0.00 C ATOM 0 H THR A 100 3.310 21.500 1.871 1.00 0.00 H new ATOM 0 HA THR A 100 5.943 21.030 0.673 1.00 0.00 H new ATOM 0 HB THR A 100 3.850 22.845 -0.570 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.766 21.198 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.407 22.895 -2.476 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.162 23.508 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.542 21.869 -1.567 1.00 0.00 H new ATOM 1474 N PRO A 101 6.709 23.160 1.814 1.00 0.00 N ATOM 1475 CA PRO A 101 7.183 24.419 2.400 1.00 0.00 C ATOM 1476 C PRO A 101 7.060 25.581 1.412 1.00 0.00 C ATOM 1477 O PRO A 101 8.048 26.228 1.055 1.00 0.00 O ATOM 1478 CB PRO A 101 8.658 24.143 2.728 1.00 0.00 C ATOM 1479 CG PRO A 101 8.811 22.662 2.641 1.00 0.00 C ATOM 1480 CD PRO A 101 7.808 22.207 1.623 1.00 0.00 C ATOM 0 HA PRO A 101 6.599 24.711 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 101 9.319 24.649 2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.914 24.507 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.823 22.390 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.628 22.192 3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.210 22.248 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.489 21.179 1.798 1.00 0.00 H new ATOM 1488 N ARG A 102 5.838 25.815 0.957 1.00 0.00 N ATOM 1489 CA ARG A 102 5.547 26.871 0.006 1.00 0.00 C ATOM 1490 C ARG A 102 5.176 28.141 0.757 1.00 0.00 C ATOM 1491 O ARG A 102 4.451 28.082 1.751 1.00 0.00 O ATOM 1492 CB ARG A 102 4.404 26.431 -0.913 1.00 0.00 C ATOM 1493 CG ARG A 102 4.068 27.420 -2.014 1.00 0.00 C ATOM 1494 CD ARG A 102 2.935 26.907 -2.888 1.00 0.00 C ATOM 1495 NE ARG A 102 3.276 25.652 -3.559 1.00 0.00 N ATOM 1496 CZ ARG A 102 2.377 24.813 -4.076 1.00 0.00 C ATOM 1497 NH1 ARG A 102 1.079 25.077 -3.977 1.00 0.00 N ATOM 1498 NH2 ARG A 102 2.776 23.707 -4.690 1.00 0.00 N ATOM 0 H ARG A 102 5.020 25.275 1.239 1.00 0.00 H new ATOM 0 HA ARG A 102 6.427 27.072 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 102 4.667 25.476 -1.367 1.00 0.00 H new ATOM 0 HB3 ARG A 102 3.513 26.262 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 102 3.786 28.376 -1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 102 4.951 27.599 -2.627 1.00 0.00 H new ATOM 0 HD2 ARG A 102 2.045 26.759 -2.276 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.686 27.660 -3.636 1.00 0.00 H new ATOM 0 HE ARG A 102 4.262 25.403 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.766 25.925 -3.504 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.396 24.432 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.771 23.497 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.088 23.066 -5.085 1.00 0.00 H new ATOM 1512 N SER A 103 5.688 29.277 0.292 1.00 0.00 N ATOM 1513 CA SER A 103 5.481 30.554 0.967 1.00 0.00 C ATOM 1514 C SER A 103 6.113 30.510 2.357 1.00 0.00 C ATOM 1515 O SER A 103 5.477 30.829 3.364 1.00 0.00 O ATOM 1516 CB SER A 103 3.984 30.881 1.058 1.00 0.00 C ATOM 1517 OG SER A 103 3.367 30.807 -0.219 1.00 0.00 O ATOM 0 H SER A 103 6.253 29.339 -0.555 1.00 0.00 H new ATOM 0 HA SER A 103 5.960 31.343 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.497 30.185 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.851 31.880 1.472 1.00 0.00 H new ATOM 0 HG SER A 103 2.414 31.018 -0.134 1.00 0.00 H new ATOM 1523 N ASP A 104 7.371 30.096 2.397 1.00 0.00 N ATOM 1524 CA ASP A 104 8.098 29.951 3.652 1.00 0.00 C ATOM 1525 C ASP A 104 8.539 31.311 4.177 1.00 0.00 C ATOM 1526 O ASP A 104 8.315 32.341 3.535 1.00 0.00 O ATOM 1527 CB ASP A 104 9.320 29.046 3.464 1.00 0.00 C ATOM 1528 CG ASP A 104 10.430 29.717 2.679 1.00 0.00 C ATOM 1529 OD1 ASP A 104 10.255 29.954 1.467 1.00 0.00 O ATOM 1530 OD2 ASP A 104 11.491 30.004 3.271 1.00 0.00 O ATOM 0 H ASP A 104 7.914 29.853 1.568 1.00 0.00 H new ATOM 0 HA ASP A 104 7.428 29.493 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 104 9.700 28.748 4.441 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.016 28.135 2.949 1.00 0.00 H new ATOM 1535 N GLY A 105 9.170 31.310 5.342 1.00 0.00 N ATOM 1536 CA GLY A 105 9.593 32.549 5.956 1.00 0.00 C ATOM 1537 C GLY A 105 8.493 33.150 6.798 1.00 0.00 C ATOM 1538 O GLY A 105 8.394 32.872 7.993 1.00 0.00 O ATOM 0 H GLY A 105 9.397 30.470 5.874 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.471 32.368 6.576 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.890 33.257 5.183 1.00 0.00 H new ATOM 1542 N THR A 106 7.657 33.960 6.174 1.00 0.00 N ATOM 1543 CA THR A 106 6.535 34.569 6.859 1.00 0.00 C ATOM 1544 C THR A 106 5.222 34.056 6.272 1.00 0.00 C ATOM 1545 O THR A 106 4.596 33.172 6.890 1.00 0.00 O ATOM 1546 CB THR A 106 6.594 36.104 6.757 1.00 0.00 C ATOM 1547 OG1 THR A 106 7.913 36.561 7.096 1.00 0.00 O ATOM 1548 CG2 THR A 106 5.576 36.751 7.687 1.00 0.00 C ATOM 1549 OXT THR A 106 4.834 34.523 5.178 1.00 0.00 O ATOM 0 H THR A 106 7.736 34.211 5.189 1.00 0.00 H new ATOM 0 HA THR A 106 6.589 34.294 7.912 1.00 0.00 H new ATOM 0 HB THR A 106 6.357 36.389 5.732 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.948 37.538 7.029 1.00 0.00 H new ATOM 0 HG21 THR A 106 5.638 37.835 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.573 36.421 7.415 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.787 36.461 8.716 1.00 0.00 H new TER 1557 THR A 106