USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 709 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD NoAdj-H: A 85 HIS HD1 : A 85 HIS ND1 : A 110 CU1CU :(H bumps) USER MOD Set 1.1: A 77 THR OG1 : rot 68:sc= 0.021 USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.0244 USER MOD Set 2.1: A 57 ASN : amide:sc= 0.327 K(o=-3.6,f=-4.3) USER MOD Set 2.2: A 68 TYR OH : rot 50:sc= -3.96 USER MOD Set 3.1: A 28 THR OG1 : rot -102:sc= 1.26 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.716 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 150:sc= -0.0192 (180deg=0) USER MOD Set 4.2: A 34 ASN : amide:sc= -6.47! C(o=-6.5!,f=-16!) USER MOD Single : A 1 ALA N :NH3+ -125:sc= 1.13 (180deg=-1.07) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.373 K(o=-0.37,f=-2.9!) USER MOD Single : A 7 MET CE :methyl 166:sc= -4.35! (180deg=-5.19!) USER MOD Single : A 9 THR OG1 : rot -75:sc= -6.07! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -147:sc= 0.513 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 166:sc= -0.839 (180deg=-1.97!) USER MOD Single : A 35 LYS NZ :NH3+ -120:sc= 0.569 (180deg=-0.0773) USER MOD Single : A 40 ASN : amide:sc= -4.04! C(o=-4!,f=-5.5!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0249 USER MOD Single : A 58 THR OG1 : rot -62:sc= 1.05 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 50:sc= -0.082 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 100:sc= -1.4 USER MOD Single : A 78 TYR OH : rot 119:sc= -0.666 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -120:sc= -0.0313 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 154:sc= -5.32! (180deg=-6.67!) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.871 -10.363 -0.237 1.00 0.00 N ATOM 2 CA ALA A 1 -12.141 -10.571 -1.649 1.00 0.00 C ATOM 3 C ALA A 1 -12.349 -9.217 -2.329 1.00 0.00 C ATOM 4 O ALA A 1 -13.374 -8.567 -2.127 1.00 0.00 O ATOM 5 CB ALA A 1 -13.351 -11.494 -1.808 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.976 -10.827 0.017 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.800 -9.344 -0.044 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.644 -10.770 0.328 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.294 -11.057 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.553 -11.650 -2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -13.142 -12.453 -1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.221 -11.038 -1.336 1.00 0.00 H new ATOM 11 N SER A 2 -11.359 -8.829 -3.121 1.00 0.00 N ATOM 12 CA SER A 2 -11.420 -7.563 -3.831 1.00 0.00 C ATOM 13 C SER A 2 -11.426 -6.403 -2.833 1.00 0.00 C ATOM 14 O SER A 2 -12.476 -5.828 -2.551 1.00 0.00 O ATOM 15 CB SER A 2 -12.656 -7.496 -4.731 1.00 0.00 C ATOM 16 OG SER A 2 -12.758 -8.631 -5.586 1.00 0.00 O ATOM 0 H SER A 2 -10.510 -9.370 -3.286 1.00 0.00 H new ATOM 0 HA SER A 2 -10.537 -7.483 -4.465 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.551 -7.427 -4.113 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.615 -6.590 -5.335 1.00 0.00 H new ATOM 0 HG SER A 2 -13.561 -8.550 -6.142 1.00 0.00 H new ATOM 22 N VAL A 3 -10.240 -6.094 -2.330 1.00 0.00 N ATOM 23 CA VAL A 3 -10.094 -5.013 -1.369 1.00 0.00 C ATOM 24 C VAL A 3 -9.302 -3.871 -2.010 1.00 0.00 C ATOM 25 O VAL A 3 -8.826 -3.998 -3.138 1.00 0.00 O ATOM 26 CB VAL A 3 -9.454 -5.537 -0.083 1.00 0.00 C ATOM 27 CG1 VAL A 3 -10.405 -6.478 0.659 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.120 -6.226 -0.377 1.00 0.00 C ATOM 0 H VAL A 3 -9.372 -6.573 -2.569 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.070 -4.616 -1.090 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.255 -4.683 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.925 -6.836 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.319 -5.943 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.649 -7.326 0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.685 -6.590 0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.285 -7.065 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.438 -5.515 -0.842 1.00 0.00 H new ATOM 38 N GLN A 4 -9.183 -2.783 -1.263 1.00 0.00 N ATOM 39 CA GLN A 4 -8.456 -1.621 -1.744 1.00 0.00 C ATOM 40 C GLN A 4 -7.718 -0.942 -0.589 1.00 0.00 C ATOM 41 O GLN A 4 -8.065 -1.138 0.575 1.00 0.00 O ATOM 42 CB GLN A 4 -9.394 -0.639 -2.447 1.00 0.00 C ATOM 43 CG GLN A 4 -10.657 -0.397 -1.618 1.00 0.00 C ATOM 44 CD GLN A 4 -11.914 -0.541 -2.477 1.00 0.00 C ATOM 45 OE1 GLN A 4 -11.885 -1.050 -3.585 1.00 0.00 O ATOM 46 NE2 GLN A 4 -13.018 -0.067 -1.906 1.00 0.00 N ATOM 0 H GLN A 4 -9.578 -2.682 -0.328 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.719 -1.955 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.878 0.306 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.667 -1.030 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.695 -1.106 -0.791 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.624 0.601 -1.181 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.973 0.347 -0.975 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -13.909 -0.118 -2.399 1.00 0.00 H new ATOM 55 N ILE A 5 -6.714 -0.157 -0.950 1.00 0.00 N ATOM 56 CA ILE A 5 -5.925 0.553 0.042 1.00 0.00 C ATOM 57 C ILE A 5 -5.937 2.049 -0.278 1.00 0.00 C ATOM 58 O ILE A 5 -5.483 2.464 -1.343 1.00 0.00 O ATOM 59 CB ILE A 5 -4.519 -0.043 0.134 1.00 0.00 C ATOM 60 CG1 ILE A 5 -4.521 -1.325 0.971 1.00 0.00 C ATOM 61 CG2 ILE A 5 -3.520 0.986 0.667 1.00 0.00 C ATOM 62 CD1 ILE A 5 -4.656 -1.007 2.461 1.00 0.00 C ATOM 0 H ILE A 5 -6.429 0.003 -1.916 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.363 0.434 1.033 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.197 -0.314 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.344 -1.967 0.657 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.599 -1.879 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.529 0.536 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.491 1.846 -0.002 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -3.827 1.310 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.655 -1.935 3.033 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.819 -0.385 2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.591 -0.474 2.636 1.00 0.00 H new ATOM 74 N LYS A 6 -6.462 2.819 0.664 1.00 0.00 N ATOM 75 CA LYS A 6 -6.540 4.260 0.496 1.00 0.00 C ATOM 76 C LYS A 6 -5.344 4.915 1.189 1.00 0.00 C ATOM 77 O LYS A 6 -4.947 4.499 2.276 1.00 0.00 O ATOM 78 CB LYS A 6 -7.894 4.783 0.981 1.00 0.00 C ATOM 79 CG LYS A 6 -8.810 5.111 -0.200 1.00 0.00 C ATOM 80 CD LYS A 6 -10.168 5.621 0.284 1.00 0.00 C ATOM 81 CE LYS A 6 -10.742 6.658 -0.684 1.00 0.00 C ATOM 82 NZ LYS A 6 -11.505 7.689 0.055 1.00 0.00 N ATOM 0 H LYS A 6 -6.838 2.472 1.546 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.481 4.525 -0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.369 4.037 1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.746 5.675 1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.339 5.864 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.950 4.222 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.861 4.785 0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.062 6.063 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.934 7.127 -1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.391 6.167 -1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.453 8.593 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.499 7.394 0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.100 7.806 1.006 1.00 0.00 H new ATOM 96 N MET A 7 -4.802 5.930 0.531 1.00 0.00 N ATOM 97 CA MET A 7 -3.659 6.647 1.070 1.00 0.00 C ATOM 98 C MET A 7 -4.037 8.083 1.438 1.00 0.00 C ATOM 99 O MET A 7 -4.066 8.961 0.577 1.00 0.00 O ATOM 100 CB MET A 7 -2.533 6.663 0.035 1.00 0.00 C ATOM 101 CG MET A 7 -2.062 5.244 -0.285 1.00 0.00 C ATOM 102 SD MET A 7 -2.817 4.678 -1.800 1.00 0.00 S ATOM 103 CE MET A 7 -1.381 4.618 -2.859 1.00 0.00 C ATOM 0 H MET A 7 -5.134 6.273 -0.371 1.00 0.00 H new ATOM 0 HA MET A 7 -3.326 6.137 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.879 7.149 -0.877 1.00 0.00 H new ATOM 0 HB3 MET A 7 -1.696 7.251 0.412 1.00 0.00 H new ATOM 0 HG2 MET A 7 -0.976 5.225 -0.381 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.321 4.572 0.533 1.00 0.00 H new ATOM 0 HE1 MET A 7 -1.618 4.055 -3.762 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.086 5.632 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 7 -0.561 4.131 -2.332 1.00 0.00 H new ATOM 113 N GLY A 8 -4.316 8.279 2.719 1.00 0.00 N ATOM 114 CA GLY A 8 -4.689 9.594 3.211 1.00 0.00 C ATOM 115 C GLY A 8 -6.073 9.562 3.863 1.00 0.00 C ATOM 116 O GLY A 8 -6.917 8.745 3.498 1.00 0.00 O ATOM 0 H GLY A 8 -4.291 7.549 3.431 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.950 9.939 3.934 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.687 10.308 2.388 1.00 0.00 H new ATOM 120 N THR A 9 -6.263 10.459 4.818 1.00 0.00 N ATOM 121 CA THR A 9 -7.529 10.544 5.526 1.00 0.00 C ATOM 122 C THR A 9 -8.166 11.919 5.314 1.00 0.00 C ATOM 123 O THR A 9 -7.469 12.896 5.044 1.00 0.00 O ATOM 124 CB THR A 9 -7.273 10.213 6.997 1.00 0.00 C ATOM 125 OG1 THR A 9 -6.007 10.807 7.271 1.00 0.00 O ATOM 126 CG2 THR A 9 -7.041 8.718 7.229 1.00 0.00 C ATOM 0 H THR A 9 -5.561 11.135 5.119 1.00 0.00 H new ATOM 0 HA THR A 9 -8.248 9.823 5.138 1.00 0.00 H new ATOM 0 HB THR A 9 -8.120 10.546 7.597 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.297 10.267 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.864 8.537 8.289 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.920 8.159 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.173 8.391 6.656 1.00 0.00 H new ATOM 134 N ASP A 10 -9.485 11.952 5.447 1.00 0.00 N ATOM 135 CA ASP A 10 -10.224 13.190 5.274 1.00 0.00 C ATOM 136 C ASP A 10 -9.694 14.236 6.257 1.00 0.00 C ATOM 137 O ASP A 10 -9.932 15.431 6.086 1.00 0.00 O ATOM 138 CB ASP A 10 -11.713 12.987 5.556 1.00 0.00 C ATOM 139 CG ASP A 10 -12.651 13.903 4.768 1.00 0.00 C ATOM 140 OD1 ASP A 10 -12.539 13.896 3.524 1.00 0.00 O ATOM 141 OD2 ASP A 10 -13.461 14.590 5.429 1.00 0.00 O ATOM 0 H ASP A 10 -10.060 11.140 5.673 1.00 0.00 H new ATOM 0 HA ASP A 10 -10.095 13.519 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.971 11.951 5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.890 13.140 6.621 1.00 0.00 H new ATOM 146 N LYS A 11 -8.987 13.749 7.266 1.00 0.00 N ATOM 147 CA LYS A 11 -8.422 14.627 8.277 1.00 0.00 C ATOM 148 C LYS A 11 -7.021 15.059 7.844 1.00 0.00 C ATOM 149 O LYS A 11 -6.101 15.103 8.661 1.00 0.00 O ATOM 150 CB LYS A 11 -8.463 13.956 9.652 1.00 0.00 C ATOM 151 CG LYS A 11 -8.723 14.983 10.755 1.00 0.00 C ATOM 152 CD LYS A 11 -7.762 14.783 11.928 1.00 0.00 C ATOM 153 CE LYS A 11 -7.444 16.115 12.611 1.00 0.00 C ATOM 154 NZ LYS A 11 -6.014 16.178 12.983 1.00 0.00 N ATOM 0 H LYS A 11 -8.792 12.757 7.405 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.020 15.534 8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.244 13.196 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.518 13.446 9.840 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.608 15.990 10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.752 14.895 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.203 14.096 12.651 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.840 14.323 11.573 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.689 16.941 11.943 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.063 16.231 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.815 17.088 13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.791 15.401 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.429 16.089 12.128 1.00 0.00 H new ATOM 168 N TYR A 12 -6.900 15.368 6.562 1.00 0.00 N ATOM 169 CA TYR A 12 -5.625 15.796 6.011 1.00 0.00 C ATOM 170 C TYR A 12 -4.468 15.009 6.632 1.00 0.00 C ATOM 171 O TYR A 12 -3.382 15.550 6.832 1.00 0.00 O ATOM 172 CB TYR A 12 -5.479 17.272 6.383 1.00 0.00 C ATOM 173 CG TYR A 12 -5.541 18.224 5.187 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.632 18.098 4.158 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.508 19.209 5.139 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.689 18.994 3.032 1.00 0.00 C ATOM 177 CE2 TYR A 12 -6.566 20.105 4.013 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.654 19.953 3.015 1.00 0.00 C ATOM 179 OH TYR A 12 -5.709 20.800 1.951 1.00 0.00 O ATOM 0 H TYR A 12 -7.665 15.331 5.888 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.598 15.632 4.934 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.267 17.538 7.087 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.529 17.414 6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.877 17.327 4.196 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.220 19.307 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.982 18.907 2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -7.316 20.880 3.962 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.448 21.432 2.074 1.00 0.00 H new ATOM 189 N ALA A 13 -4.741 13.744 6.918 1.00 0.00 N ATOM 190 CA ALA A 13 -3.737 12.878 7.512 1.00 0.00 C ATOM 191 C ALA A 13 -3.232 11.893 6.456 1.00 0.00 C ATOM 192 O ALA A 13 -3.963 10.996 6.038 1.00 0.00 O ATOM 193 CB ALA A 13 -4.328 12.172 8.733 1.00 0.00 C ATOM 0 H ALA A 13 -5.643 13.298 6.749 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.882 13.461 7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.574 11.523 9.178 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.645 12.915 9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.187 11.575 8.427 1.00 0.00 H new ATOM 199 N PRO A 14 -1.952 12.096 6.045 1.00 0.00 N ATOM 200 CA PRO A 14 -1.341 11.236 5.047 1.00 0.00 C ATOM 201 C PRO A 14 -0.968 9.879 5.646 1.00 0.00 C ATOM 202 O PRO A 14 0.196 9.630 5.954 1.00 0.00 O ATOM 203 CB PRO A 14 -0.135 12.013 4.543 1.00 0.00 C ATOM 204 CG PRO A 14 0.152 13.069 5.599 1.00 0.00 C ATOM 205 CD PRO A 14 -1.055 13.148 6.518 1.00 0.00 C ATOM 0 HA PRO A 14 -2.018 10.999 4.226 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.723 11.355 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.343 12.473 3.577 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.047 12.810 6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.340 14.036 5.131 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.772 12.988 7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.530 14.127 6.464 1.00 0.00 H new ATOM 213 N LEU A 15 -1.979 9.035 5.795 1.00 0.00 N ATOM 214 CA LEU A 15 -1.773 7.711 6.352 1.00 0.00 C ATOM 215 C LEU A 15 -2.537 6.684 5.513 1.00 0.00 C ATOM 216 O LEU A 15 -3.448 7.041 4.767 1.00 0.00 O ATOM 217 CB LEU A 15 -2.143 7.689 7.836 1.00 0.00 C ATOM 218 CG LEU A 15 -3.620 7.923 8.162 1.00 0.00 C ATOM 219 CD1 LEU A 15 -4.431 6.638 7.987 1.00 0.00 C ATOM 220 CD2 LEU A 15 -3.784 8.518 9.562 1.00 0.00 C ATOM 0 H LEU A 15 -2.944 9.244 5.539 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.718 7.440 6.306 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.848 6.724 8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.553 8.449 8.349 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.015 8.651 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.477 6.832 8.225 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.351 6.295 6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.044 5.869 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.843 8.675 9.769 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.368 7.832 10.300 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.259 9.472 9.616 1.00 0.00 H new ATOM 232 N TYR A 16 -2.139 5.429 5.663 1.00 0.00 N ATOM 233 CA TYR A 16 -2.775 4.350 4.928 1.00 0.00 C ATOM 234 C TYR A 16 -4.102 3.951 5.577 1.00 0.00 C ATOM 235 O TYR A 16 -4.223 3.954 6.801 1.00 0.00 O ATOM 236 CB TYR A 16 -1.810 3.164 5.001 1.00 0.00 C ATOM 237 CG TYR A 16 -0.852 3.068 3.812 1.00 0.00 C ATOM 238 CD1 TYR A 16 -1.321 2.660 2.579 1.00 0.00 C ATOM 239 CD2 TYR A 16 0.480 3.389 3.971 1.00 0.00 C ATOM 240 CE1 TYR A 16 -0.420 2.569 1.460 1.00 0.00 C ATOM 241 CE2 TYR A 16 1.382 3.298 2.852 1.00 0.00 C ATOM 242 CZ TYR A 16 0.888 2.893 1.651 1.00 0.00 C ATOM 243 OH TYR A 16 1.739 2.807 0.594 1.00 0.00 O ATOM 0 H TYR A 16 -1.384 5.136 6.283 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.986 4.657 3.903 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.227 3.239 5.919 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.388 2.242 5.064 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.364 2.409 2.454 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.847 3.709 4.935 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.774 2.251 0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.427 3.546 2.964 1.00 0.00 H new ATOM 0 HH TYR A 16 2.629 2.548 0.911 1.00 0.00 H new ATOM 253 N GLU A 17 -5.064 3.620 4.728 1.00 0.00 N ATOM 254 CA GLU A 17 -6.377 3.221 5.204 1.00 0.00 C ATOM 255 C GLU A 17 -6.977 2.161 4.278 1.00 0.00 C ATOM 256 O GLU A 17 -7.062 2.364 3.068 1.00 0.00 O ATOM 257 CB GLU A 17 -7.306 4.430 5.327 1.00 0.00 C ATOM 258 CG GLU A 17 -8.388 4.184 6.383 1.00 0.00 C ATOM 259 CD GLU A 17 -9.094 5.488 6.756 1.00 0.00 C ATOM 260 OE1 GLU A 17 -9.609 6.142 5.823 1.00 0.00 O ATOM 261 OE2 GLU A 17 -9.104 5.803 7.966 1.00 0.00 O ATOM 0 H GLU A 17 -4.960 3.620 3.713 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.266 2.787 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.726 5.313 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.773 4.634 4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.116 3.468 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.940 3.741 7.272 1.00 0.00 H new ATOM 268 N PRO A 18 -7.389 1.022 4.898 1.00 0.00 N ATOM 269 CA PRO A 18 -7.252 0.862 6.336 1.00 0.00 C ATOM 270 C PRO A 18 -5.798 0.587 6.721 1.00 0.00 C ATOM 271 O PRO A 18 -4.978 0.253 5.866 1.00 0.00 O ATOM 272 CB PRO A 18 -8.189 -0.281 6.695 1.00 0.00 C ATOM 273 CG PRO A 18 -8.460 -1.020 5.396 1.00 0.00 C ATOM 274 CD PRO A 18 -7.993 -0.137 4.250 1.00 0.00 C ATOM 0 HA PRO A 18 -7.516 1.764 6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.734 -0.942 7.433 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.115 0.095 7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.932 -1.974 5.382 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.523 -1.242 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -7.273 -0.657 3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.826 0.156 3.611 1.00 0.00 H new ATOM 282 N LYS A 19 -5.521 0.737 8.008 1.00 0.00 N ATOM 283 CA LYS A 19 -4.180 0.509 8.517 1.00 0.00 C ATOM 284 C LYS A 19 -3.775 -0.941 8.242 1.00 0.00 C ATOM 285 O LYS A 19 -2.625 -1.213 7.898 1.00 0.00 O ATOM 286 CB LYS A 19 -4.092 0.902 9.993 1.00 0.00 C ATOM 287 CG LYS A 19 -2.642 0.879 10.482 1.00 0.00 C ATOM 288 CD LYS A 19 -2.302 -0.466 11.126 1.00 0.00 C ATOM 289 CE LYS A 19 -1.994 -0.299 12.615 1.00 0.00 C ATOM 290 NZ LYS A 19 -1.018 -1.319 13.060 1.00 0.00 N ATOM 0 H LYS A 19 -6.203 1.014 8.714 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.463 1.146 7.999 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.511 1.899 10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.692 0.217 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.969 1.066 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.485 1.681 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.137 -1.155 10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.443 -0.908 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.596 0.699 12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.913 -0.389 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.820 -1.191 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.411 -2.269 12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.136 -1.215 12.519 1.00 0.00 H new ATOM 304 N ALA A 20 -4.740 -1.833 8.405 1.00 0.00 N ATOM 305 CA ALA A 20 -4.498 -3.247 8.178 1.00 0.00 C ATOM 306 C ALA A 20 -5.487 -3.768 7.133 1.00 0.00 C ATOM 307 O ALA A 20 -6.606 -3.269 7.029 1.00 0.00 O ATOM 308 CB ALA A 20 -4.601 -4.002 9.505 1.00 0.00 C ATOM 0 H ALA A 20 -5.692 -1.604 8.692 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.492 -3.407 7.789 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.419 -5.063 9.335 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.859 -3.614 10.203 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.598 -3.867 9.924 1.00 0.00 H new ATOM 314 N LEU A 21 -5.039 -4.767 6.387 1.00 0.00 N ATOM 315 CA LEU A 21 -5.870 -5.361 5.354 1.00 0.00 C ATOM 316 C LEU A 21 -5.660 -6.877 5.347 1.00 0.00 C ATOM 317 O LEU A 21 -4.540 -7.354 5.517 1.00 0.00 O ATOM 318 CB LEU A 21 -5.602 -4.697 4.002 1.00 0.00 C ATOM 319 CG LEU A 21 -6.048 -5.484 2.768 1.00 0.00 C ATOM 320 CD1 LEU A 21 -7.541 -5.810 2.836 1.00 0.00 C ATOM 321 CD2 LEU A 21 -5.683 -4.740 1.481 1.00 0.00 C ATOM 0 H LEU A 21 -4.111 -5.180 6.478 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.925 -5.185 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.101 -3.728 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.532 -4.506 3.919 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.511 -6.432 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.832 -6.370 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.743 -6.409 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.114 -4.884 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.011 -5.321 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.175 -3.767 1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.603 -4.601 1.435 1.00 0.00 H new ATOM 333 N SER A 22 -6.757 -7.593 5.147 1.00 0.00 N ATOM 334 CA SER A 22 -6.709 -9.045 5.115 1.00 0.00 C ATOM 335 C SER A 22 -7.418 -9.565 3.863 1.00 0.00 C ATOM 336 O SER A 22 -8.430 -9.007 3.441 1.00 0.00 O ATOM 337 CB SER A 22 -7.341 -9.645 6.372 1.00 0.00 C ATOM 338 OG SER A 22 -7.054 -11.034 6.503 1.00 0.00 O ATOM 0 H SER A 22 -7.685 -7.194 5.005 1.00 0.00 H new ATOM 0 HA SER A 22 -5.664 -9.352 5.086 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.974 -9.115 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.421 -9.499 6.340 1.00 0.00 H new ATOM 0 HG SER A 22 -7.474 -11.379 7.319 1.00 0.00 H new ATOM 344 N ILE A 23 -6.858 -10.628 3.304 1.00 0.00 N ATOM 345 CA ILE A 23 -7.424 -11.229 2.108 1.00 0.00 C ATOM 346 C ILE A 23 -7.018 -12.703 2.043 1.00 0.00 C ATOM 347 O ILE A 23 -6.374 -13.214 2.957 1.00 0.00 O ATOM 348 CB ILE A 23 -7.030 -10.427 0.867 1.00 0.00 C ATOM 349 CG1 ILE A 23 -5.532 -10.555 0.584 1.00 0.00 C ATOM 350 CG2 ILE A 23 -7.465 -8.966 0.996 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.216 -10.200 -0.871 1.00 0.00 C ATOM 0 H ILE A 23 -6.019 -11.088 3.657 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.513 -11.199 2.145 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.557 -10.845 0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.975 -9.898 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.205 -11.573 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.172 -8.419 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.548 -8.918 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.985 -8.519 1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.145 -10.299 -1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.756 -10.875 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.522 -9.173 -1.070 1.00 0.00 H new ATOM 363 N SER A 24 -7.413 -13.345 0.953 1.00 0.00 N ATOM 364 CA SER A 24 -7.099 -14.749 0.756 1.00 0.00 C ATOM 365 C SER A 24 -6.300 -14.931 -0.535 1.00 0.00 C ATOM 366 O SER A 24 -6.242 -14.025 -1.367 1.00 0.00 O ATOM 367 CB SER A 24 -8.370 -15.599 0.718 1.00 0.00 C ATOM 368 OG SER A 24 -9.253 -15.287 1.793 1.00 0.00 O ATOM 0 H SER A 24 -7.948 -12.918 0.197 1.00 0.00 H new ATOM 0 HA SER A 24 -6.496 -15.085 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.883 -15.441 -0.230 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.102 -16.655 0.764 1.00 0.00 H new ATOM 0 HG SER A 24 -10.053 -15.849 1.733 1.00 0.00 H new ATOM 374 N ALA A 25 -5.704 -16.108 -0.665 1.00 0.00 N ATOM 375 CA ALA A 25 -4.911 -16.419 -1.841 1.00 0.00 C ATOM 376 C ALA A 25 -5.817 -16.425 -3.075 1.00 0.00 C ATOM 377 O ALA A 25 -6.575 -17.370 -3.288 1.00 0.00 O ATOM 378 CB ALA A 25 -4.196 -17.757 -1.636 1.00 0.00 C ATOM 0 H ALA A 25 -5.755 -16.857 0.025 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.144 -15.660 -1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.601 -17.990 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.543 -17.691 -0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.934 -18.543 -1.478 1.00 0.00 H new ATOM 384 N GLY A 26 -5.709 -15.359 -3.854 1.00 0.00 N ATOM 385 CA GLY A 26 -6.508 -15.230 -5.060 1.00 0.00 C ATOM 386 C GLY A 26 -7.288 -13.913 -5.063 1.00 0.00 C ATOM 387 O GLY A 26 -7.924 -13.566 -6.056 1.00 0.00 O ATOM 0 H GLY A 26 -5.080 -14.577 -3.673 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.861 -15.275 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.202 -16.068 -5.132 1.00 0.00 H new ATOM 391 N ASP A 27 -7.212 -13.216 -3.938 1.00 0.00 N ATOM 392 CA ASP A 27 -7.903 -11.945 -3.798 1.00 0.00 C ATOM 393 C ASP A 27 -7.047 -10.834 -4.410 1.00 0.00 C ATOM 394 O ASP A 27 -5.905 -11.070 -4.802 1.00 0.00 O ATOM 395 CB ASP A 27 -8.136 -11.604 -2.325 1.00 0.00 C ATOM 396 CG ASP A 27 -9.263 -12.388 -1.650 1.00 0.00 C ATOM 397 OD1 ASP A 27 -9.557 -13.498 -2.145 1.00 0.00 O ATOM 398 OD2 ASP A 27 -9.805 -11.861 -0.655 1.00 0.00 O ATOM 0 H ASP A 27 -6.683 -13.507 -3.116 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.864 -12.026 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.211 -11.781 -1.776 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.356 -10.539 -2.244 1.00 0.00 H new ATOM 403 N THR A 28 -7.632 -9.648 -4.474 1.00 0.00 N ATOM 404 CA THR A 28 -6.937 -8.500 -5.032 1.00 0.00 C ATOM 405 C THR A 28 -6.895 -7.356 -4.017 1.00 0.00 C ATOM 406 O THR A 28 -7.759 -7.263 -3.145 1.00 0.00 O ATOM 407 CB THR A 28 -7.627 -8.122 -6.344 1.00 0.00 C ATOM 408 OG1 THR A 28 -7.771 -9.362 -7.030 1.00 0.00 O ATOM 409 CG2 THR A 28 -6.727 -7.291 -7.261 1.00 0.00 C ATOM 0 H THR A 28 -8.580 -9.456 -4.149 1.00 0.00 H new ATOM 0 HA THR A 28 -5.896 -8.737 -5.251 1.00 0.00 H new ATOM 0 HB THR A 28 -8.538 -7.564 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.084 -9.433 -7.726 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.265 -7.050 -8.178 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.443 -6.369 -6.754 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.831 -7.861 -7.506 1.00 0.00 H new ATOM 417 N VAL A 29 -5.882 -6.514 -4.163 1.00 0.00 N ATOM 418 CA VAL A 29 -5.717 -5.381 -3.268 1.00 0.00 C ATOM 419 C VAL A 29 -5.439 -4.123 -4.094 1.00 0.00 C ATOM 420 O VAL A 29 -4.326 -3.928 -4.579 1.00 0.00 O ATOM 421 CB VAL A 29 -4.620 -5.679 -2.244 1.00 0.00 C ATOM 422 CG1 VAL A 29 -4.413 -4.491 -1.302 1.00 0.00 C ATOM 423 CG2 VAL A 29 -4.933 -6.953 -1.459 1.00 0.00 C ATOM 0 H VAL A 29 -5.168 -6.594 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.631 -5.204 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.690 -5.842 -2.788 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.628 -4.728 -0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.122 -3.614 -1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.341 -4.283 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.137 -7.141 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.879 -6.832 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.006 -7.795 -2.147 1.00 0.00 H new ATOM 433 N GLU A 30 -6.470 -3.302 -4.227 1.00 0.00 N ATOM 434 CA GLU A 30 -6.351 -2.067 -4.985 1.00 0.00 C ATOM 435 C GLU A 30 -5.695 -0.981 -4.130 1.00 0.00 C ATOM 436 O GLU A 30 -5.539 -1.147 -2.921 1.00 0.00 O ATOM 437 CB GLU A 30 -7.716 -1.609 -5.503 1.00 0.00 C ATOM 438 CG GLU A 30 -7.576 -0.863 -6.831 1.00 0.00 C ATOM 439 CD GLU A 30 -8.242 0.512 -6.761 1.00 0.00 C ATOM 440 OE1 GLU A 30 -9.482 0.535 -6.608 1.00 0.00 O ATOM 441 OE2 GLU A 30 -7.496 1.510 -6.863 1.00 0.00 O ATOM 0 H GLU A 30 -7.392 -3.467 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.715 -2.253 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.368 -2.473 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.190 -0.961 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.521 -0.748 -7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.028 -1.449 -7.631 1.00 0.00 H new ATOM 448 N PHE A 31 -5.328 0.107 -4.792 1.00 0.00 N ATOM 449 CA PHE A 31 -4.693 1.219 -4.109 1.00 0.00 C ATOM 450 C PHE A 31 -5.113 2.555 -4.726 1.00 0.00 C ATOM 451 O PHE A 31 -4.909 2.783 -5.918 1.00 0.00 O ATOM 452 CB PHE A 31 -3.182 1.046 -4.280 1.00 0.00 C ATOM 453 CG PHE A 31 -2.580 -0.056 -3.406 1.00 0.00 C ATOM 454 CD1 PHE A 31 -2.686 -1.358 -3.783 1.00 0.00 C ATOM 455 CD2 PHE A 31 -1.937 0.267 -2.251 1.00 0.00 C ATOM 456 CE1 PHE A 31 -2.126 -2.380 -2.971 1.00 0.00 C ATOM 457 CE2 PHE A 31 -1.379 -0.755 -1.439 1.00 0.00 C ATOM 458 CZ PHE A 31 -1.485 -2.057 -1.816 1.00 0.00 C ATOM 0 H PHE A 31 -5.459 0.241 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.986 1.226 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.968 0.824 -5.326 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.690 1.990 -4.047 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.196 -1.615 -4.700 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.851 1.301 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.209 -3.414 -3.271 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.870 -0.498 -0.522 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.060 -2.834 -1.198 1.00 0.00 H new ATOM 468 N VAL A 32 -5.693 3.402 -3.888 1.00 0.00 N ATOM 469 CA VAL A 32 -6.144 4.707 -4.337 1.00 0.00 C ATOM 470 C VAL A 32 -5.572 5.786 -3.414 1.00 0.00 C ATOM 471 O VAL A 32 -5.439 5.569 -2.210 1.00 0.00 O ATOM 472 CB VAL A 32 -7.672 4.735 -4.415 1.00 0.00 C ATOM 473 CG1 VAL A 32 -8.289 4.880 -3.022 1.00 0.00 C ATOM 474 CG2 VAL A 32 -8.154 5.849 -5.346 1.00 0.00 C ATOM 0 H VAL A 32 -5.861 3.209 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.777 4.912 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.003 3.784 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.376 4.897 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.986 4.037 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.945 5.809 -2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.243 5.846 -5.383 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.806 6.812 -4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.757 5.684 -6.347 1.00 0.00 H new ATOM 484 N MET A 33 -5.250 6.923 -4.012 1.00 0.00 N ATOM 485 CA MET A 33 -4.697 8.034 -3.258 1.00 0.00 C ATOM 486 C MET A 33 -5.804 8.965 -2.760 1.00 0.00 C ATOM 487 O MET A 33 -6.382 9.721 -3.539 1.00 0.00 O ATOM 488 CB MET A 33 -3.729 8.820 -4.145 1.00 0.00 C ATOM 489 CG MET A 33 -2.290 8.340 -3.948 1.00 0.00 C ATOM 490 SD MET A 33 -1.213 9.139 -5.126 1.00 0.00 S ATOM 491 CE MET A 33 -1.965 10.757 -5.186 1.00 0.00 C ATOM 0 H MET A 33 -5.362 7.099 -5.011 1.00 0.00 H new ATOM 0 HA MET A 33 -4.169 7.634 -2.392 1.00 0.00 H new ATOM 0 HB2 MET A 33 -4.014 8.705 -5.191 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.797 9.882 -3.911 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.960 8.561 -2.933 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.239 7.258 -4.071 1.00 0.00 H new ATOM 0 HE1 MET A 33 -1.286 11.456 -5.675 1.00 0.00 H new ATOM 0 HE2 MET A 33 -2.898 10.704 -5.748 1.00 0.00 H new ATOM 0 HE3 MET A 33 -2.171 11.100 -4.172 1.00 0.00 H new ATOM 501 N ASN A 34 -6.065 8.878 -1.463 1.00 0.00 N ATOM 502 CA ASN A 34 -7.093 9.703 -0.851 1.00 0.00 C ATOM 503 C ASN A 34 -6.808 11.175 -1.155 1.00 0.00 C ATOM 504 O ASN A 34 -7.536 11.808 -1.919 1.00 0.00 O ATOM 505 CB ASN A 34 -7.108 9.528 0.668 1.00 0.00 C ATOM 506 CG ASN A 34 -8.370 8.793 1.124 1.00 0.00 C ATOM 507 OD1 ASN A 34 -8.541 7.605 0.905 1.00 0.00 O ATOM 508 ND2 ASN A 34 -9.242 9.563 1.769 1.00 0.00 N ATOM 0 H ASN A 34 -5.583 8.250 -0.820 1.00 0.00 H new ATOM 0 HA ASN A 34 -8.057 9.398 -1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.225 8.971 0.982 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.057 10.504 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.116 9.166 2.114 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.037 10.551 1.919 1.00 0.00 H new ATOM 515 N LYS A 35 -5.746 11.678 -0.542 1.00 0.00 N ATOM 516 CA LYS A 35 -5.356 13.063 -0.737 1.00 0.00 C ATOM 517 C LYS A 35 -3.971 13.289 -0.128 1.00 0.00 C ATOM 518 O LYS A 35 -3.245 12.334 0.143 1.00 0.00 O ATOM 519 CB LYS A 35 -6.429 14.006 -0.189 1.00 0.00 C ATOM 520 CG LYS A 35 -6.289 14.176 1.326 1.00 0.00 C ATOM 521 CD LYS A 35 -7.652 14.408 1.980 1.00 0.00 C ATOM 522 CE LYS A 35 -7.537 15.384 3.153 1.00 0.00 C ATOM 523 NZ LYS A 35 -8.818 16.096 3.361 1.00 0.00 N ATOM 0 H LYS A 35 -5.144 11.150 0.090 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.279 13.290 -1.800 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -6.348 14.978 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.418 13.613 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.823 13.288 1.754 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.630 15.017 1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.351 14.801 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.058 13.459 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.263 14.843 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.741 16.103 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.668 17.119 3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.514 15.771 2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.174 15.898 4.318 1.00 0.00 H new ATOM 537 N VAL A 36 -3.646 14.558 0.069 1.00 0.00 N ATOM 538 CA VAL A 36 -2.360 14.922 0.640 1.00 0.00 C ATOM 539 C VAL A 36 -1.251 14.153 -0.079 1.00 0.00 C ATOM 540 O VAL A 36 -0.318 13.663 0.555 1.00 0.00 O ATOM 541 CB VAL A 36 -2.372 14.678 2.152 1.00 0.00 C ATOM 542 CG1 VAL A 36 -2.493 13.186 2.466 1.00 0.00 C ATOM 543 CG2 VAL A 36 -1.131 15.279 2.813 1.00 0.00 C ATOM 0 H VAL A 36 -4.251 15.348 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.165 15.985 0.495 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.248 15.178 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.499 13.041 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.420 12.799 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.646 12.653 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.164 15.092 3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.236 14.820 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.107 16.354 2.633 1.00 0.00 H new ATOM 553 N GLY A 37 -1.389 14.072 -1.394 1.00 0.00 N ATOM 554 CA GLY A 37 -0.410 13.372 -2.208 1.00 0.00 C ATOM 555 C GLY A 37 0.740 14.301 -2.605 1.00 0.00 C ATOM 556 O GLY A 37 0.858 15.406 -2.079 1.00 0.00 O ATOM 0 H GLY A 37 -2.164 14.480 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.018 12.517 -1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.891 12.980 -3.104 1.00 0.00 H new ATOM 560 N PRO A 38 1.577 13.806 -3.555 1.00 0.00 N ATOM 561 CA PRO A 38 1.364 12.486 -4.126 1.00 0.00 C ATOM 562 C PRO A 38 1.776 11.390 -3.142 1.00 0.00 C ATOM 563 O PRO A 38 2.210 11.682 -2.027 1.00 0.00 O ATOM 564 CB PRO A 38 2.185 12.476 -5.405 1.00 0.00 C ATOM 565 CG PRO A 38 3.190 13.608 -5.266 1.00 0.00 C ATOM 566 CD PRO A 38 2.745 14.485 -4.108 1.00 0.00 C ATOM 0 HA PRO A 38 0.315 12.283 -4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.690 11.519 -5.537 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.549 12.624 -6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.189 13.212 -5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.241 14.189 -6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.534 14.586 -3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.495 15.491 -4.446 1.00 0.00 H new ATOM 574 N HIS A 39 1.626 10.152 -3.587 1.00 0.00 N ATOM 575 CA HIS A 39 1.975 9.010 -2.760 1.00 0.00 C ATOM 576 C HIS A 39 2.797 8.013 -3.581 1.00 0.00 C ATOM 577 O HIS A 39 3.215 8.319 -4.697 1.00 0.00 O ATOM 578 CB HIS A 39 0.725 8.382 -2.143 1.00 0.00 C ATOM 579 CG HIS A 39 -0.035 9.305 -1.220 1.00 0.00 C ATOM 580 ND1 HIS A 39 0.032 9.206 0.160 1.00 0.00 N ATOM 581 CD2 HIS A 39 -0.877 10.343 -1.491 1.00 0.00 C ATOM 582 CE1 HIS A 39 -0.739 10.148 0.684 1.00 0.00 C ATOM 583 NE2 HIS A 39 -1.302 10.851 -0.341 1.00 0.00 N ATOM 0 H HIS A 39 1.267 9.914 -4.512 1.00 0.00 H new ATOM 0 HA HIS A 39 2.594 9.338 -1.925 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.060 8.058 -2.944 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.015 7.489 -1.589 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.152 10.693 -2.475 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.894 10.328 1.738 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.944 11.637 -0.240 1.00 0.00 H new ATOM 591 N ASN A 40 3.003 6.843 -2.997 1.00 0.00 N ATOM 592 CA ASN A 40 3.766 5.799 -3.660 1.00 0.00 C ATOM 593 C ASN A 40 3.183 4.434 -3.291 1.00 0.00 C ATOM 594 O ASN A 40 2.043 4.344 -2.837 1.00 0.00 O ATOM 595 CB ASN A 40 5.230 5.823 -3.218 1.00 0.00 C ATOM 596 CG ASN A 40 6.166 5.592 -4.407 1.00 0.00 C ATOM 597 OD1 ASN A 40 5.752 5.531 -5.552 1.00 0.00 O ATOM 598 ND2 ASN A 40 7.446 5.470 -4.071 1.00 0.00 N ATOM 0 H ASN A 40 2.655 6.594 -2.071 1.00 0.00 H new ATOM 0 HA ASN A 40 3.710 5.972 -4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.457 6.782 -2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.398 5.055 -2.463 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.150 5.315 -4.793 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.724 5.531 -3.092 1.00 0.00 H new ATOM 605 N VAL A 41 3.990 3.405 -3.500 1.00 0.00 N ATOM 606 CA VAL A 41 3.569 2.048 -3.196 1.00 0.00 C ATOM 607 C VAL A 41 4.803 1.176 -2.954 1.00 0.00 C ATOM 608 O VAL A 41 4.980 0.151 -3.610 1.00 0.00 O ATOM 609 CB VAL A 41 2.669 1.516 -4.313 1.00 0.00 C ATOM 610 CG1 VAL A 41 2.397 0.021 -4.133 1.00 0.00 C ATOM 611 CG2 VAL A 41 1.363 2.307 -4.390 1.00 0.00 C ATOM 0 H VAL A 41 4.935 3.484 -3.877 1.00 0.00 H new ATOM 0 HA VAL A 41 2.975 2.029 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 41 3.195 1.649 -5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.755 -0.332 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.340 -0.525 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.902 -0.146 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.743 1.908 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.830 2.223 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.584 3.356 -4.590 1.00 0.00 H new ATOM 621 N ILE A 42 5.624 1.616 -2.013 1.00 0.00 N ATOM 622 CA ILE A 42 6.836 0.890 -1.677 1.00 0.00 C ATOM 623 C ILE A 42 6.539 -0.094 -0.544 1.00 0.00 C ATOM 624 O ILE A 42 6.045 0.300 0.511 1.00 0.00 O ATOM 625 CB ILE A 42 7.976 1.863 -1.365 1.00 0.00 C ATOM 626 CG1 ILE A 42 7.993 3.025 -2.361 1.00 0.00 C ATOM 627 CG2 ILE A 42 9.320 1.134 -1.310 1.00 0.00 C ATOM 628 CD1 ILE A 42 8.237 2.521 -3.785 1.00 0.00 C ATOM 0 H ILE A 42 5.473 2.467 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 42 7.176 0.302 -2.529 1.00 0.00 H new ATOM 0 HB ILE A 42 7.801 2.289 -0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.044 3.560 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.772 3.735 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 42 10.113 1.848 -1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.289 0.372 -0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.518 0.662 -2.272 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.245 3.366 -4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.198 2.008 -3.830 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.443 1.830 -4.067 1.00 0.00 H new ATOM 640 N PHE A 43 6.854 -1.356 -0.800 1.00 0.00 N ATOM 641 CA PHE A 43 6.627 -2.398 0.186 1.00 0.00 C ATOM 642 C PHE A 43 7.836 -2.551 1.111 1.00 0.00 C ATOM 643 O PHE A 43 8.880 -1.944 0.878 1.00 0.00 O ATOM 644 CB PHE A 43 6.420 -3.704 -0.584 1.00 0.00 C ATOM 645 CG PHE A 43 5.090 -3.778 -1.338 1.00 0.00 C ATOM 646 CD1 PHE A 43 5.001 -3.296 -2.606 1.00 0.00 C ATOM 647 CD2 PHE A 43 4.000 -4.327 -0.740 1.00 0.00 C ATOM 648 CE1 PHE A 43 3.767 -3.364 -3.306 1.00 0.00 C ATOM 649 CE2 PHE A 43 2.765 -4.396 -1.439 1.00 0.00 C ATOM 650 CZ PHE A 43 2.676 -3.913 -2.707 1.00 0.00 C ATOM 0 H PHE A 43 7.264 -1.680 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 43 5.763 -2.147 0.801 1.00 0.00 H new ATOM 0 HB2 PHE A 43 7.237 -3.828 -1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.477 -4.539 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.868 -2.862 -3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.073 -4.711 0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.695 -2.980 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.898 -4.831 -0.964 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.738 -3.965 -3.239 1.00 0.00 H new ATOM 660 N ASP A 44 7.654 -3.366 2.140 1.00 0.00 N ATOM 661 CA ASP A 44 8.717 -3.606 3.101 1.00 0.00 C ATOM 662 C ASP A 44 9.433 -4.911 2.747 1.00 0.00 C ATOM 663 O ASP A 44 10.637 -4.914 2.498 1.00 0.00 O ATOM 664 CB ASP A 44 8.158 -3.743 4.518 1.00 0.00 C ATOM 665 CG ASP A 44 9.025 -3.128 5.618 1.00 0.00 C ATOM 666 OD1 ASP A 44 9.840 -2.245 5.270 1.00 0.00 O ATOM 667 OD2 ASP A 44 8.854 -3.553 6.781 1.00 0.00 O ATOM 0 H ASP A 44 6.787 -3.868 2.329 1.00 0.00 H new ATOM 0 HA ASP A 44 9.402 -2.759 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.173 -3.278 4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.018 -4.802 4.736 1.00 0.00 H new ATOM 672 N LYS A 45 8.661 -5.988 2.737 1.00 0.00 N ATOM 673 CA LYS A 45 9.206 -7.296 2.417 1.00 0.00 C ATOM 674 C LYS A 45 8.144 -8.365 2.681 1.00 0.00 C ATOM 675 O LYS A 45 7.371 -8.256 3.632 1.00 0.00 O ATOM 676 CB LYS A 45 10.515 -7.531 3.174 1.00 0.00 C ATOM 677 CG LYS A 45 11.705 -7.570 2.213 1.00 0.00 C ATOM 678 CD LYS A 45 12.893 -8.300 2.841 1.00 0.00 C ATOM 679 CE LYS A 45 13.986 -7.312 3.256 1.00 0.00 C ATOM 680 NZ LYS A 45 14.373 -7.530 4.668 1.00 0.00 N ATOM 0 H LYS A 45 7.663 -5.981 2.945 1.00 0.00 H new ATOM 0 HA LYS A 45 9.461 -7.353 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.662 -6.739 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.457 -8.470 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.414 -8.069 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.997 -6.554 1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.559 -8.865 3.711 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.299 -9.020 2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.857 -7.432 2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.630 -6.290 3.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.115 -6.852 4.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.544 -7.393 5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.732 -8.499 4.784 1.00 0.00 H new ATOM 694 N VAL A 46 8.138 -9.374 1.822 1.00 0.00 N ATOM 695 CA VAL A 46 7.183 -10.462 1.950 1.00 0.00 C ATOM 696 C VAL A 46 7.939 -11.786 2.077 1.00 0.00 C ATOM 697 O VAL A 46 9.101 -11.881 1.687 1.00 0.00 O ATOM 698 CB VAL A 46 6.206 -10.441 0.773 1.00 0.00 C ATOM 699 CG1 VAL A 46 5.665 -9.029 0.534 1.00 0.00 C ATOM 700 CG2 VAL A 46 6.859 -11.000 -0.492 1.00 0.00 C ATOM 0 H VAL A 46 8.780 -9.461 1.034 1.00 0.00 H new ATOM 0 HA VAL A 46 6.585 -10.342 2.853 1.00 0.00 H new ATOM 0 HB VAL A 46 5.363 -11.084 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.973 -9.042 -0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.144 -8.683 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.493 -8.355 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.143 -10.974 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.729 -10.396 -0.750 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.171 -12.029 -0.316 1.00 0.00 H new ATOM 710 N PRO A 47 7.229 -12.801 2.638 1.00 0.00 N ATOM 711 CA PRO A 47 7.820 -14.116 2.820 1.00 0.00 C ATOM 712 C PRO A 47 7.909 -14.866 1.490 1.00 0.00 C ATOM 713 O PRO A 47 7.220 -14.522 0.531 1.00 0.00 O ATOM 714 CB PRO A 47 6.928 -14.810 3.836 1.00 0.00 C ATOM 715 CG PRO A 47 5.617 -14.041 3.834 1.00 0.00 C ATOM 716 CD PRO A 47 5.850 -12.725 3.111 1.00 0.00 C ATOM 0 HA PRO A 47 8.848 -14.070 3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.769 -15.854 3.567 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.384 -14.802 4.826 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.837 -14.617 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.278 -13.861 4.854 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.153 -12.600 2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.707 -11.876 3.779 1.00 0.00 H new ATOM 724 N ALA A 48 8.764 -15.879 1.475 1.00 0.00 N ATOM 725 CA ALA A 48 8.953 -16.681 0.278 1.00 0.00 C ATOM 726 C ALA A 48 7.598 -16.911 -0.394 1.00 0.00 C ATOM 727 O ALA A 48 6.688 -17.476 0.211 1.00 0.00 O ATOM 728 CB ALA A 48 9.651 -17.992 0.647 1.00 0.00 C ATOM 0 H ALA A 48 9.333 -16.162 2.273 1.00 0.00 H new ATOM 0 HA ALA A 48 9.592 -16.161 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.793 -18.594 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.621 -17.774 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.037 -18.543 1.360 1.00 0.00 H new ATOM 734 N GLY A 49 7.507 -16.463 -1.638 1.00 0.00 N ATOM 735 CA GLY A 49 6.278 -16.613 -2.399 1.00 0.00 C ATOM 736 C GLY A 49 6.054 -15.412 -3.320 1.00 0.00 C ATOM 737 O GLY A 49 6.169 -15.529 -4.539 1.00 0.00 O ATOM 0 H GLY A 49 8.264 -15.996 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.322 -17.527 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.434 -16.715 -1.717 1.00 0.00 H new ATOM 741 N GLU A 50 5.737 -14.283 -2.702 1.00 0.00 N ATOM 742 CA GLU A 50 5.495 -13.062 -3.450 1.00 0.00 C ATOM 743 C GLU A 50 6.814 -12.332 -3.716 1.00 0.00 C ATOM 744 O GLU A 50 7.884 -12.831 -3.370 1.00 0.00 O ATOM 745 CB GLU A 50 4.505 -12.156 -2.716 1.00 0.00 C ATOM 746 CG GLU A 50 3.331 -11.779 -3.622 1.00 0.00 C ATOM 747 CD GLU A 50 2.917 -10.322 -3.406 1.00 0.00 C ATOM 748 OE1 GLU A 50 2.877 -9.912 -2.226 1.00 0.00 O ATOM 749 OE2 GLU A 50 2.650 -9.651 -4.427 1.00 0.00 O ATOM 0 H GLU A 50 5.642 -14.189 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 50 5.050 -13.329 -4.409 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.134 -12.663 -1.826 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.014 -11.253 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.609 -11.931 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.485 -12.435 -3.419 1.00 0.00 H new ATOM 756 N SER A 51 6.693 -11.163 -4.326 1.00 0.00 N ATOM 757 CA SER A 51 7.862 -10.359 -4.641 1.00 0.00 C ATOM 758 C SER A 51 7.652 -8.920 -4.166 1.00 0.00 C ATOM 759 O SER A 51 7.355 -8.035 -4.967 1.00 0.00 O ATOM 760 CB SER A 51 8.159 -10.385 -6.141 1.00 0.00 C ATOM 761 OG SER A 51 8.157 -11.710 -6.664 1.00 0.00 O ATOM 0 H SER A 51 5.804 -10.753 -4.611 1.00 0.00 H new ATOM 0 HA SER A 51 8.720 -10.784 -4.120 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.416 -9.787 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.129 -9.924 -6.326 1.00 0.00 H new ATOM 0 HG SER A 51 8.349 -11.683 -7.625 1.00 0.00 H new ATOM 767 N ALA A 52 7.813 -8.730 -2.864 1.00 0.00 N ATOM 768 CA ALA A 52 7.645 -7.414 -2.274 1.00 0.00 C ATOM 769 C ALA A 52 8.631 -6.440 -2.919 1.00 0.00 C ATOM 770 O ALA A 52 8.237 -5.378 -3.399 1.00 0.00 O ATOM 771 CB ALA A 52 7.826 -7.508 -0.757 1.00 0.00 C ATOM 0 H ALA A 52 8.058 -9.466 -2.202 1.00 0.00 H new ATOM 0 HA ALA A 52 6.640 -7.036 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.700 -6.520 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.082 -8.189 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.825 -7.882 -0.532 1.00 0.00 H new ATOM 777 N PRO A 53 9.929 -6.846 -2.910 1.00 0.00 N ATOM 778 CA PRO A 53 10.976 -6.021 -3.490 1.00 0.00 C ATOM 779 C PRO A 53 10.933 -6.073 -5.019 1.00 0.00 C ATOM 780 O PRO A 53 11.950 -6.324 -5.663 1.00 0.00 O ATOM 781 CB PRO A 53 12.272 -6.566 -2.912 1.00 0.00 C ATOM 782 CG PRO A 53 11.946 -7.960 -2.402 1.00 0.00 C ATOM 783 CD PRO A 53 10.433 -8.096 -2.351 1.00 0.00 C ATOM 0 HA PRO A 53 10.861 -4.964 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.054 -6.600 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.638 -5.931 -2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.375 -8.717 -3.059 1.00 0.00 H new ATOM 0 HG3 PRO A 53 12.377 -8.115 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.093 -8.954 -2.930 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.083 -8.242 -1.329 1.00 0.00 H new ATOM 791 N ALA A 54 9.745 -5.833 -5.554 1.00 0.00 N ATOM 792 CA ALA A 54 9.557 -5.850 -6.995 1.00 0.00 C ATOM 793 C ALA A 54 8.280 -5.084 -7.347 1.00 0.00 C ATOM 794 O ALA A 54 8.270 -4.281 -8.278 1.00 0.00 O ATOM 795 CB ALA A 54 9.524 -7.297 -7.488 1.00 0.00 C ATOM 0 H ALA A 54 8.903 -5.626 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 54 10.388 -5.354 -7.497 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.383 -7.310 -8.569 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.465 -7.788 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.701 -7.826 -7.008 1.00 0.00 H new ATOM 801 N LEU A 55 7.233 -5.361 -6.582 1.00 0.00 N ATOM 802 CA LEU A 55 5.953 -4.708 -6.803 1.00 0.00 C ATOM 803 C LEU A 55 6.075 -3.225 -6.448 1.00 0.00 C ATOM 804 O LEU A 55 5.304 -2.401 -6.938 1.00 0.00 O ATOM 805 CB LEU A 55 4.844 -5.433 -6.038 1.00 0.00 C ATOM 806 CG LEU A 55 4.239 -6.655 -6.733 1.00 0.00 C ATOM 807 CD1 LEU A 55 3.600 -7.603 -5.717 1.00 0.00 C ATOM 808 CD2 LEU A 55 3.253 -6.234 -7.824 1.00 0.00 C ATOM 0 H LEU A 55 7.245 -6.027 -5.810 1.00 0.00 H new ATOM 0 HA LEU A 55 5.673 -4.763 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.241 -5.748 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.044 -4.721 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 55 5.044 -7.203 -7.222 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.178 -8.463 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.357 -7.942 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.809 -7.080 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.838 -7.122 -8.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.447 -5.650 -7.380 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.771 -5.630 -8.569 1.00 0.00 H new ATOM 820 N SER A 56 7.049 -2.930 -5.600 1.00 0.00 N ATOM 821 CA SER A 56 7.282 -1.559 -5.175 1.00 0.00 C ATOM 822 C SER A 56 7.362 -0.639 -6.395 1.00 0.00 C ATOM 823 O SER A 56 8.299 -0.731 -7.186 1.00 0.00 O ATOM 824 CB SER A 56 8.562 -1.450 -4.345 1.00 0.00 C ATOM 825 OG SER A 56 9.513 -2.452 -4.695 1.00 0.00 O ATOM 0 H SER A 56 7.686 -3.616 -5.195 1.00 0.00 H new ATOM 0 HA SER A 56 6.446 -1.249 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.004 -0.464 -4.489 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.316 -1.537 -3.287 1.00 0.00 H new ATOM 0 HG SER A 56 10.317 -2.347 -4.144 1.00 0.00 H new ATOM 831 N ASN A 57 6.365 0.226 -6.510 1.00 0.00 N ATOM 832 CA ASN A 57 6.311 1.162 -7.620 1.00 0.00 C ATOM 833 C ASN A 57 6.952 2.486 -7.197 1.00 0.00 C ATOM 834 O ASN A 57 6.357 3.256 -6.446 1.00 0.00 O ATOM 835 CB ASN A 57 4.865 1.448 -8.029 1.00 0.00 C ATOM 836 CG ASN A 57 4.730 1.525 -9.551 1.00 0.00 C ATOM 837 OD1 ASN A 57 5.581 2.051 -10.250 1.00 0.00 O ATOM 838 ND2 ASN A 57 3.618 0.971 -10.024 1.00 0.00 N ATOM 0 H ASN A 57 5.588 0.298 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 57 6.844 0.718 -8.461 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.212 0.666 -7.642 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.536 2.387 -7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.436 0.969 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.947 0.547 -9.383 1.00 0.00 H new ATOM 845 N THR A 58 8.158 2.708 -7.699 1.00 0.00 N ATOM 846 CA THR A 58 8.888 3.926 -7.383 1.00 0.00 C ATOM 847 C THR A 58 8.562 5.021 -8.400 1.00 0.00 C ATOM 848 O THR A 58 9.458 5.708 -8.886 1.00 0.00 O ATOM 849 CB THR A 58 10.377 3.580 -7.317 1.00 0.00 C ATOM 850 OG1 THR A 58 11.009 4.826 -7.036 1.00 0.00 O ATOM 851 CG2 THR A 58 10.944 3.174 -8.678 1.00 0.00 C ATOM 0 H THR A 58 8.648 2.066 -8.322 1.00 0.00 H new ATOM 0 HA THR A 58 8.590 4.327 -6.414 1.00 0.00 H new ATOM 0 HB THR A 58 10.531 2.770 -6.604 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.838 5.452 -7.770 1.00 0.00 H new ATOM 0 HG21 THR A 58 12.003 2.939 -8.575 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.412 2.297 -9.047 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.822 3.996 -9.383 1.00 0.00 H new ATOM 859 N LYS A 59 7.276 5.151 -8.690 1.00 0.00 N ATOM 860 CA LYS A 59 6.821 6.152 -9.640 1.00 0.00 C ATOM 861 C LYS A 59 5.606 6.882 -9.063 1.00 0.00 C ATOM 862 O LYS A 59 4.478 6.664 -9.503 1.00 0.00 O ATOM 863 CB LYS A 59 6.562 5.515 -11.006 1.00 0.00 C ATOM 864 CG LYS A 59 5.994 6.540 -11.991 1.00 0.00 C ATOM 865 CD LYS A 59 5.054 5.872 -12.996 1.00 0.00 C ATOM 866 CE LYS A 59 5.128 6.563 -14.358 1.00 0.00 C ATOM 867 NZ LYS A 59 3.929 7.402 -14.581 1.00 0.00 N ATOM 0 H LYS A 59 6.535 4.580 -8.284 1.00 0.00 H new ATOM 0 HA LYS A 59 7.596 6.901 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.490 5.102 -11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.865 4.684 -10.897 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.457 7.315 -11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.810 7.031 -12.521 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.318 4.820 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.031 5.907 -12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.025 7.180 -14.411 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.208 5.816 -15.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.996 7.864 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.078 6.806 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.870 8.127 -13.838 1.00 0.00 H new ATOM 881 N LEU A 60 5.878 7.733 -8.084 1.00 0.00 N ATOM 882 CA LEU A 60 4.821 8.497 -7.442 1.00 0.00 C ATOM 883 C LEU A 60 3.828 8.977 -8.501 1.00 0.00 C ATOM 884 O LEU A 60 4.225 9.542 -9.520 1.00 0.00 O ATOM 885 CB LEU A 60 5.414 9.627 -6.597 1.00 0.00 C ATOM 886 CG LEU A 60 5.922 10.845 -7.370 1.00 0.00 C ATOM 887 CD1 LEU A 60 4.789 11.837 -7.638 1.00 0.00 C ATOM 888 CD2 LEU A 60 7.099 11.502 -6.646 1.00 0.00 C ATOM 0 H LEU A 60 6.814 7.910 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 60 4.265 7.868 -6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.656 9.961 -5.889 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.240 9.222 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 60 6.288 10.505 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.178 12.693 -8.189 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.011 11.350 -8.226 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.370 12.175 -6.690 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.441 12.365 -7.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.782 11.825 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.914 10.784 -6.550 1.00 0.00 H new ATOM 900 N ALA A 61 2.554 8.735 -8.226 1.00 0.00 N ATOM 901 CA ALA A 61 1.501 9.136 -9.144 1.00 0.00 C ATOM 902 C ALA A 61 0.664 10.243 -8.500 1.00 0.00 C ATOM 903 O ALA A 61 0.012 10.020 -7.481 1.00 0.00 O ATOM 904 CB ALA A 61 0.661 7.914 -9.522 1.00 0.00 C ATOM 0 H ALA A 61 2.228 8.266 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 61 1.925 9.537 -10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.129 8.214 -10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.297 7.170 -10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.216 7.486 -8.624 1.00 0.00 H new ATOM 910 N ILE A 62 0.710 11.412 -9.120 1.00 0.00 N ATOM 911 CA ILE A 62 -0.036 12.554 -8.621 1.00 0.00 C ATOM 912 C ILE A 62 -1.499 12.432 -9.054 1.00 0.00 C ATOM 913 O ILE A 62 -2.407 12.583 -8.237 1.00 0.00 O ATOM 914 CB ILE A 62 0.627 13.862 -9.058 1.00 0.00 C ATOM 915 CG1 ILE A 62 0.013 15.060 -8.331 1.00 0.00 C ATOM 916 CG2 ILE A 62 0.570 14.023 -10.579 1.00 0.00 C ATOM 917 CD1 ILE A 62 0.445 15.090 -6.864 1.00 0.00 C ATOM 0 H ILE A 62 1.253 11.593 -9.964 1.00 0.00 H new ATOM 0 HA ILE A 62 -0.025 12.567 -7.531 1.00 0.00 H new ATOM 0 HB ILE A 62 1.679 13.822 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.318 15.984 -8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.074 15.010 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.048 14.960 -10.864 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.092 13.191 -11.053 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.470 14.032 -10.905 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.005 15.951 -6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.117 14.176 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.531 15.165 -6.806 1.00 0.00 H new ATOM 929 N ALA A 63 -1.681 12.159 -10.337 1.00 0.00 N ATOM 930 CA ALA A 63 -3.018 12.014 -10.889 1.00 0.00 C ATOM 931 C ALA A 63 -3.877 11.193 -9.924 1.00 0.00 C ATOM 932 O ALA A 63 -3.761 9.970 -9.872 1.00 0.00 O ATOM 933 CB ALA A 63 -2.932 11.378 -12.278 1.00 0.00 C ATOM 0 H ALA A 63 -0.925 12.034 -11.011 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.492 12.988 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.935 11.270 -12.691 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.336 12.014 -12.933 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.463 10.397 -12.201 1.00 0.00 H new ATOM 939 N PRO A 64 -4.742 11.919 -9.166 1.00 0.00 N ATOM 940 CA PRO A 64 -5.620 11.271 -8.207 1.00 0.00 C ATOM 941 C PRO A 64 -6.778 10.563 -8.914 1.00 0.00 C ATOM 942 O PRO A 64 -7.443 11.152 -9.765 1.00 0.00 O ATOM 943 CB PRO A 64 -6.081 12.384 -7.281 1.00 0.00 C ATOM 944 CG PRO A 64 -5.820 13.683 -8.028 1.00 0.00 C ATOM 945 CD PRO A 64 -4.907 13.369 -9.202 1.00 0.00 C ATOM 0 HA PRO A 64 -5.119 10.484 -7.643 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.139 12.278 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -5.535 12.359 -6.338 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.757 14.117 -8.378 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.356 14.416 -7.368 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.348 13.694 -10.144 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.949 13.879 -9.106 1.00 0.00 H new ATOM 953 N GLY A 65 -6.985 9.310 -8.535 1.00 0.00 N ATOM 954 CA GLY A 65 -8.050 8.517 -9.122 1.00 0.00 C ATOM 955 C GLY A 65 -7.998 7.073 -8.620 1.00 0.00 C ATOM 956 O GLY A 65 -8.993 6.551 -8.117 1.00 0.00 O ATOM 0 H GLY A 65 -6.432 8.825 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.016 8.958 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.963 8.532 -10.208 1.00 0.00 H new ATOM 960 N SER A 66 -6.830 6.467 -8.772 1.00 0.00 N ATOM 961 CA SER A 66 -6.635 5.094 -8.341 1.00 0.00 C ATOM 962 C SER A 66 -5.353 4.528 -8.955 1.00 0.00 C ATOM 963 O SER A 66 -5.344 4.118 -10.114 1.00 0.00 O ATOM 964 CB SER A 66 -7.835 4.223 -8.721 1.00 0.00 C ATOM 965 OG SER A 66 -8.305 4.505 -10.036 1.00 0.00 O ATOM 0 H SER A 66 -6.007 6.903 -9.189 1.00 0.00 H new ATOM 0 HA SER A 66 -6.543 5.087 -7.255 1.00 0.00 H new ATOM 0 HB2 SER A 66 -7.555 3.172 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.641 4.385 -8.006 1.00 0.00 H new ATOM 0 HG SER A 66 -7.551 4.492 -10.662 1.00 0.00 H new ATOM 971 N PHE A 67 -4.301 4.527 -8.150 1.00 0.00 N ATOM 972 CA PHE A 67 -3.016 4.018 -8.599 1.00 0.00 C ATOM 973 C PHE A 67 -3.195 2.796 -9.502 1.00 0.00 C ATOM 974 O PHE A 67 -3.035 2.890 -10.719 1.00 0.00 O ATOM 975 CB PHE A 67 -2.237 3.603 -7.349 1.00 0.00 C ATOM 976 CG PHE A 67 -1.113 4.569 -6.968 1.00 0.00 C ATOM 977 CD1 PHE A 67 -0.019 4.688 -7.768 1.00 0.00 C ATOM 978 CD2 PHE A 67 -1.207 5.308 -5.831 1.00 0.00 C ATOM 979 CE1 PHE A 67 1.025 5.584 -7.415 1.00 0.00 C ATOM 980 CE2 PHE A 67 -0.163 6.203 -5.478 1.00 0.00 C ATOM 981 CZ PHE A 67 0.931 6.323 -6.277 1.00 0.00 C ATOM 0 H PHE A 67 -4.312 4.870 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.492 4.785 -9.170 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.930 3.520 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.812 2.612 -7.510 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.056 4.101 -8.672 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.076 5.214 -5.196 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.893 5.679 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -0.238 6.789 -4.574 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.724 7.005 -6.008 1.00 0.00 H new ATOM 991 N TYR A 68 -3.526 1.678 -8.873 1.00 0.00 N ATOM 992 CA TYR A 68 -3.728 0.439 -9.605 1.00 0.00 C ATOM 993 C TYR A 68 -4.071 -0.710 -8.654 1.00 0.00 C ATOM 994 O TYR A 68 -4.050 -0.539 -7.436 1.00 0.00 O ATOM 995 CB TYR A 68 -2.397 0.134 -10.295 1.00 0.00 C ATOM 996 CG TYR A 68 -1.175 0.291 -9.388 1.00 0.00 C ATOM 997 CD1 TYR A 68 -1.012 -0.543 -8.300 1.00 0.00 C ATOM 998 CD2 TYR A 68 -0.237 1.266 -9.657 1.00 0.00 C ATOM 999 CE1 TYR A 68 0.138 -0.396 -7.446 1.00 0.00 C ATOM 1000 CE2 TYR A 68 0.913 1.413 -8.803 1.00 0.00 C ATOM 1001 CZ TYR A 68 1.044 0.575 -7.739 1.00 0.00 C ATOM 1002 OH TYR A 68 2.129 0.714 -6.933 1.00 0.00 O ATOM 0 H TYR A 68 -3.659 1.604 -7.864 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.551 0.541 -10.312 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.424 -0.886 -10.678 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.286 0.795 -11.155 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -1.747 -1.306 -8.089 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.365 1.919 -10.508 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.278 -1.042 -6.592 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.655 2.172 -9.003 1.00 0.00 H new ATOM 0 HH TYR A 68 2.556 -0.159 -6.806 1.00 0.00 H new ATOM 1012 N SER A 69 -4.378 -1.854 -9.246 1.00 0.00 N ATOM 1013 CA SER A 69 -4.724 -3.031 -8.467 1.00 0.00 C ATOM 1014 C SER A 69 -3.766 -4.178 -8.797 1.00 0.00 C ATOM 1015 O SER A 69 -3.171 -4.203 -9.872 1.00 0.00 O ATOM 1016 CB SER A 69 -6.171 -3.456 -8.725 1.00 0.00 C ATOM 1017 OG SER A 69 -6.657 -2.968 -9.973 1.00 0.00 O ATOM 0 H SER A 69 -4.395 -1.992 -10.257 1.00 0.00 H new ATOM 0 HA SER A 69 -4.630 -2.781 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.237 -4.544 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.806 -3.087 -7.920 1.00 0.00 H new ATOM 0 HG SER A 69 -7.583 -3.262 -10.101 1.00 0.00 H new ATOM 1023 N VAL A 70 -3.648 -5.098 -7.851 1.00 0.00 N ATOM 1024 CA VAL A 70 -2.773 -6.244 -8.027 1.00 0.00 C ATOM 1025 C VAL A 70 -3.310 -7.420 -7.210 1.00 0.00 C ATOM 1026 O VAL A 70 -3.721 -7.249 -6.064 1.00 0.00 O ATOM 1027 CB VAL A 70 -1.337 -5.867 -7.660 1.00 0.00 C ATOM 1028 CG1 VAL A 70 -0.712 -4.974 -8.734 1.00 0.00 C ATOM 1029 CG2 VAL A 70 -1.280 -5.194 -6.287 1.00 0.00 C ATOM 0 H VAL A 70 -4.144 -5.073 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.756 -6.555 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.753 -6.786 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.309 -4.721 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.701 -5.504 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.298 -4.060 -8.834 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.248 -4.936 -6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.886 -4.288 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.666 -5.877 -5.531 1.00 0.00 H new ATOM 1039 N THR A 71 -3.288 -8.590 -7.832 1.00 0.00 N ATOM 1040 CA THR A 71 -3.767 -9.795 -7.177 1.00 0.00 C ATOM 1041 C THR A 71 -2.618 -10.503 -6.454 1.00 0.00 C ATOM 1042 O THR A 71 -1.493 -10.529 -6.948 1.00 0.00 O ATOM 1043 CB THR A 71 -4.450 -10.668 -8.232 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.738 -10.078 -8.390 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.747 -12.079 -7.722 1.00 0.00 C ATOM 0 H THR A 71 -2.946 -8.729 -8.783 1.00 0.00 H new ATOM 0 HA THR A 71 -4.500 -9.560 -6.405 1.00 0.00 H new ATOM 0 HB THR A 71 -3.817 -10.728 -9.118 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.249 -10.581 -9.058 1.00 0.00 H new ATOM 0 HG21 THR A 71 -5.231 -12.656 -8.510 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.815 -12.566 -7.436 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.407 -12.022 -6.856 1.00 0.00 H new ATOM 1053 N LEU A 72 -2.944 -11.059 -5.297 1.00 0.00 N ATOM 1054 CA LEU A 72 -1.953 -11.764 -4.502 1.00 0.00 C ATOM 1055 C LEU A 72 -2.361 -13.234 -4.373 1.00 0.00 C ATOM 1056 O LEU A 72 -3.453 -13.617 -4.790 1.00 0.00 O ATOM 1057 CB LEU A 72 -1.747 -11.064 -3.157 1.00 0.00 C ATOM 1058 CG LEU A 72 -1.182 -9.644 -3.221 1.00 0.00 C ATOM 1059 CD1 LEU A 72 -0.927 -9.091 -1.816 1.00 0.00 C ATOM 1060 CD2 LEU A 72 0.074 -9.592 -4.093 1.00 0.00 C ATOM 0 H LEU A 72 -3.879 -11.036 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 72 -0.983 -11.743 -4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.704 -11.030 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.077 -11.674 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.927 -9.001 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.526 -8.080 -1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.863 -9.070 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.211 -9.729 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.455 -8.571 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.834 -10.252 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.172 -9.916 -5.104 1.00 0.00 H new ATOM 1072 N GLY A 73 -1.462 -14.015 -3.794 1.00 0.00 N ATOM 1073 CA GLY A 73 -1.715 -15.434 -3.605 1.00 0.00 C ATOM 1074 C GLY A 73 -0.903 -15.984 -2.430 1.00 0.00 C ATOM 1075 O GLY A 73 -1.456 -16.615 -1.530 1.00 0.00 O ATOM 0 H GLY A 73 -0.558 -13.693 -3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.778 -15.597 -3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.459 -15.977 -4.515 1.00 0.00 H new ATOM 1079 N THR A 74 0.396 -15.725 -2.476 1.00 0.00 N ATOM 1080 CA THR A 74 1.288 -16.186 -1.427 1.00 0.00 C ATOM 1081 C THR A 74 0.687 -15.895 -0.050 1.00 0.00 C ATOM 1082 O THR A 74 0.359 -14.750 0.259 1.00 0.00 O ATOM 1083 CB THR A 74 2.653 -15.531 -1.645 1.00 0.00 C ATOM 1084 OG1 THR A 74 3.369 -16.476 -2.436 1.00 0.00 O ATOM 1085 CG2 THR A 74 3.468 -15.432 -0.354 1.00 0.00 C ATOM 0 H THR A 74 0.851 -15.202 -3.224 1.00 0.00 H new ATOM 0 HA THR A 74 1.420 -17.267 -1.467 1.00 0.00 H new ATOM 0 HB THR A 74 2.514 -14.534 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.348 -16.199 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.428 -14.960 -0.565 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.922 -14.834 0.376 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.636 -16.431 0.048 1.00 0.00 H new ATOM 1093 N PRO A 75 0.560 -16.978 0.763 1.00 0.00 N ATOM 1094 CA PRO A 75 0.004 -16.850 2.099 1.00 0.00 C ATOM 1095 C PRO A 75 1.015 -16.211 3.053 1.00 0.00 C ATOM 1096 O PRO A 75 2.208 -16.506 2.990 1.00 0.00 O ATOM 1097 CB PRO A 75 -0.381 -18.264 2.503 1.00 0.00 C ATOM 1098 CG PRO A 75 0.392 -19.187 1.575 1.00 0.00 C ATOM 1099 CD PRO A 75 0.938 -18.348 0.431 1.00 0.00 C ATOM 0 HA PRO A 75 -0.863 -16.191 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.126 -18.455 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.455 -18.420 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 75 1.205 -19.675 2.112 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -0.257 -19.976 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 75 2.020 -18.451 0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 75 0.512 -18.656 -0.524 1.00 0.00 H new ATOM 1107 N GLY A 76 0.501 -15.347 3.917 1.00 0.00 N ATOM 1108 CA GLY A 76 1.344 -14.663 4.884 1.00 0.00 C ATOM 1109 C GLY A 76 0.930 -13.198 5.033 1.00 0.00 C ATOM 1110 O GLY A 76 -0.038 -12.757 4.416 1.00 0.00 O ATOM 0 H GLY A 76 -0.489 -15.105 3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.276 -15.164 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.386 -14.720 4.568 1.00 0.00 H new ATOM 1114 N THR A 77 1.684 -12.484 5.855 1.00 0.00 N ATOM 1115 CA THR A 77 1.408 -11.078 6.094 1.00 0.00 C ATOM 1116 C THR A 77 2.424 -10.203 5.357 1.00 0.00 C ATOM 1117 O THR A 77 3.630 -10.351 5.546 1.00 0.00 O ATOM 1118 CB THR A 77 1.393 -10.848 7.607 1.00 0.00 C ATOM 1119 OG1 THR A 77 0.682 -9.623 7.764 1.00 0.00 O ATOM 1120 CG2 THR A 77 2.784 -10.547 8.167 1.00 0.00 C ATOM 0 H THR A 77 2.487 -12.853 6.364 1.00 0.00 H new ATOM 0 HA THR A 77 0.433 -10.794 5.698 1.00 0.00 H new ATOM 0 HB THR A 77 0.985 -11.728 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.258 -9.757 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.717 -10.392 9.244 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.448 -11.386 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 77 3.179 -9.648 7.695 1.00 0.00 H new ATOM 1128 N TYR A 78 1.899 -9.309 4.532 1.00 0.00 N ATOM 1129 CA TYR A 78 2.745 -8.410 3.765 1.00 0.00 C ATOM 1130 C TYR A 78 2.852 -7.044 4.448 1.00 0.00 C ATOM 1131 O TYR A 78 1.875 -6.544 5.001 1.00 0.00 O ATOM 1132 CB TYR A 78 2.057 -8.236 2.410 1.00 0.00 C ATOM 1133 CG TYR A 78 1.970 -9.523 1.586 1.00 0.00 C ATOM 1134 CD1 TYR A 78 2.985 -10.456 1.656 1.00 0.00 C ATOM 1135 CD2 TYR A 78 0.878 -9.750 0.774 1.00 0.00 C ATOM 1136 CE1 TYR A 78 2.903 -11.667 0.882 1.00 0.00 C ATOM 1137 CE2 TYR A 78 0.796 -10.961 0.000 1.00 0.00 C ATOM 1138 CZ TYR A 78 1.814 -11.860 0.091 1.00 0.00 C ATOM 1139 OH TYR A 78 1.737 -13.004 -0.641 1.00 0.00 O ATOM 0 H TYR A 78 0.898 -9.188 4.378 1.00 0.00 H new ATOM 0 HA TYR A 78 3.752 -8.816 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.050 -7.852 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.596 -7.484 1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.840 -10.278 2.291 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.085 -9.019 0.719 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.689 -12.406 0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.054 -11.152 -0.638 1.00 0.00 H new ATOM 0 HH TYR A 78 0.947 -13.515 -0.367 1.00 0.00 H new ATOM 1149 N SER A 79 4.050 -6.480 4.385 1.00 0.00 N ATOM 1150 CA SER A 79 4.299 -5.183 4.990 1.00 0.00 C ATOM 1151 C SER A 79 4.736 -4.181 3.919 1.00 0.00 C ATOM 1152 O SER A 79 5.360 -4.559 2.929 1.00 0.00 O ATOM 1153 CB SER A 79 5.359 -5.281 6.088 1.00 0.00 C ATOM 1154 OG SER A 79 5.078 -6.332 7.009 1.00 0.00 O ATOM 0 H SER A 79 4.858 -6.898 3.924 1.00 0.00 H new ATOM 0 HA SER A 79 3.372 -4.836 5.447 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.336 -5.448 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.414 -4.334 6.625 1.00 0.00 H new ATOM 0 HG SER A 79 5.779 -6.363 7.694 1.00 0.00 H new ATOM 1160 N PHE A 80 4.390 -2.924 4.153 1.00 0.00 N ATOM 1161 CA PHE A 80 4.739 -1.865 3.221 1.00 0.00 C ATOM 1162 C PHE A 80 4.611 -0.490 3.880 1.00 0.00 C ATOM 1163 O PHE A 80 4.286 -0.392 5.062 1.00 0.00 O ATOM 1164 CB PHE A 80 3.752 -1.954 2.055 1.00 0.00 C ATOM 1165 CG PHE A 80 2.291 -2.096 2.486 1.00 0.00 C ATOM 1166 CD1 PHE A 80 1.765 -3.330 2.710 1.00 0.00 C ATOM 1167 CD2 PHE A 80 1.518 -0.989 2.645 1.00 0.00 C ATOM 1168 CE1 PHE A 80 0.409 -3.463 3.109 1.00 0.00 C ATOM 1169 CE2 PHE A 80 0.162 -1.121 3.046 1.00 0.00 C ATOM 1170 CZ PHE A 80 -0.364 -2.354 3.269 1.00 0.00 C ATOM 0 H PHE A 80 3.871 -2.615 4.975 1.00 0.00 H new ATOM 0 HA PHE A 80 5.771 -1.984 2.891 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.853 -1.061 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.020 -2.806 1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.379 -4.209 2.584 1.00 0.00 H new ATOM 0 HD2 PHE A 80 1.935 -0.009 2.466 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.009 -4.443 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.451 -0.241 3.174 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.395 -2.454 3.573 1.00 0.00 H new ATOM 1180 N TYR A 81 4.872 0.537 3.085 1.00 0.00 N ATOM 1181 CA TYR A 81 4.790 1.902 3.576 1.00 0.00 C ATOM 1182 C TYR A 81 4.674 2.895 2.418 1.00 0.00 C ATOM 1183 O TYR A 81 4.587 2.495 1.258 1.00 0.00 O ATOM 1184 CB TYR A 81 6.099 2.161 4.325 1.00 0.00 C ATOM 1185 CG TYR A 81 7.350 1.716 3.563 1.00 0.00 C ATOM 1186 CD1 TYR A 81 7.846 2.496 2.538 1.00 0.00 C ATOM 1187 CD2 TYR A 81 7.980 0.537 3.901 1.00 0.00 C ATOM 1188 CE1 TYR A 81 9.024 2.078 1.822 1.00 0.00 C ATOM 1189 CE2 TYR A 81 9.157 0.118 3.184 1.00 0.00 C ATOM 1190 CZ TYR A 81 9.620 0.909 2.180 1.00 0.00 C ATOM 1191 OH TYR A 81 10.732 0.514 1.503 1.00 0.00 O ATOM 0 H TYR A 81 5.140 0.451 2.105 1.00 0.00 H new ATOM 0 HA TYR A 81 3.913 2.029 4.211 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.177 3.226 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.066 1.643 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.351 3.419 2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 81 7.591 -0.072 4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.425 2.679 1.019 1.00 0.00 H new ATOM 0 HE2 TYR A 81 9.660 -0.803 3.438 1.00 0.00 H new ATOM 0 HH TYR A 81 10.567 -0.356 1.082 1.00 0.00 H new ATOM 1201 N CYS A 82 4.678 4.172 2.773 1.00 0.00 N ATOM 1202 CA CYS A 82 4.574 5.226 1.778 1.00 0.00 C ATOM 1203 C CYS A 82 5.721 6.213 2.002 1.00 0.00 C ATOM 1204 O CYS A 82 5.614 7.117 2.829 1.00 0.00 O ATOM 1205 CB CYS A 82 3.209 5.916 1.825 1.00 0.00 C ATOM 1206 SG CYS A 82 3.114 7.493 0.901 1.00 0.00 S ATOM 0 H CYS A 82 4.752 4.500 3.736 1.00 0.00 H new ATOM 0 HA CYS A 82 4.656 4.796 0.780 1.00 0.00 H new ATOM 0 HB2 CYS A 82 2.458 5.233 1.428 1.00 0.00 H new ATOM 0 HB3 CYS A 82 2.949 6.105 2.866 1.00 0.00 H new ATOM 1211 N THR A 83 6.793 6.006 1.251 1.00 0.00 N ATOM 1212 CA THR A 83 7.958 6.867 1.357 1.00 0.00 C ATOM 1213 C THR A 83 7.550 8.260 1.840 1.00 0.00 C ATOM 1214 O THR A 83 8.037 8.733 2.866 1.00 0.00 O ATOM 1215 CB THR A 83 8.664 6.876 0.000 1.00 0.00 C ATOM 1216 OG1 THR A 83 9.791 6.023 0.188 1.00 0.00 O ATOM 1217 CG2 THR A 83 9.278 8.238 -0.331 1.00 0.00 C ATOM 0 H THR A 83 6.879 5.254 0.567 1.00 0.00 H new ATOM 0 HA THR A 83 8.660 6.493 2.102 1.00 0.00 H new ATOM 0 HB THR A 83 7.955 6.598 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 83 10.304 5.971 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.767 8.190 -1.304 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.494 8.994 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 83 10.012 8.501 0.431 1.00 0.00 H new ATOM 1225 N PRO A 84 6.638 8.895 1.057 1.00 0.00 N ATOM 1226 CA PRO A 84 6.159 10.225 1.395 1.00 0.00 C ATOM 1227 C PRO A 84 5.172 10.173 2.562 1.00 0.00 C ATOM 1228 O PRO A 84 4.186 9.437 2.515 1.00 0.00 O ATOM 1229 CB PRO A 84 5.536 10.755 0.113 1.00 0.00 C ATOM 1230 CG PRO A 84 5.271 9.537 -0.757 1.00 0.00 C ATOM 1231 CD PRO A 84 6.039 8.366 -0.165 1.00 0.00 C ATOM 0 HA PRO A 84 6.956 10.885 1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.612 11.294 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.207 11.454 -0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.204 9.316 -0.790 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.590 9.724 -1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 84 5.378 7.527 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.801 8.003 -0.855 1.00 0.00 H new ATOM 1239 N HIS A 85 5.471 10.961 3.584 1.00 0.00 N ATOM 1240 CA HIS A 85 4.623 11.014 4.762 1.00 0.00 C ATOM 1241 C HIS A 85 5.052 9.931 5.753 1.00 0.00 C ATOM 1242 O HIS A 85 4.517 9.846 6.857 1.00 0.00 O ATOM 1243 CB HIS A 85 3.146 10.910 4.374 1.00 0.00 C ATOM 1244 CG HIS A 85 2.818 11.529 3.036 1.00 0.00 C ATOM 1245 ND1 HIS A 85 2.174 10.834 2.027 1.00 0.00 N ATOM 1246 CD2 HIS A 85 3.051 12.783 2.553 1.00 0.00 C ATOM 1247 CE1 HIS A 85 2.032 11.645 0.987 1.00 0.00 C ATOM 1248 NE2 HIS A 85 2.576 12.851 1.315 1.00 0.00 N ATOM 0 H HIS A 85 6.290 11.568 3.620 1.00 0.00 H new ATOM 0 HA HIS A 85 4.742 11.978 5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 85 2.858 9.859 4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 85 2.544 11.393 5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 85 3.539 13.585 3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 85 1.567 11.394 0.045 1.00 0.00 H new ATOM 0 HE2 HIS A 85 2.612 13.671 0.709 1.00 0.00 H new ATOM 1256 N ARG A 86 6.015 9.128 5.323 1.00 0.00 N ATOM 1257 CA ARG A 86 6.523 8.054 6.159 1.00 0.00 C ATOM 1258 C ARG A 86 6.638 8.520 7.612 1.00 0.00 C ATOM 1259 O ARG A 86 6.314 7.774 8.533 1.00 0.00 O ATOM 1260 CB ARG A 86 7.896 7.580 5.673 1.00 0.00 C ATOM 1261 CG ARG A 86 8.936 8.694 5.798 1.00 0.00 C ATOM 1262 CD ARG A 86 10.274 8.264 5.194 1.00 0.00 C ATOM 1263 NE ARG A 86 11.364 9.115 5.721 1.00 0.00 N ATOM 1264 CZ ARG A 86 12.003 8.888 6.877 1.00 0.00 C ATOM 1265 NH1 ARG A 86 11.666 7.834 7.633 1.00 0.00 N ATOM 1266 NH2 ARG A 86 12.981 9.714 7.276 1.00 0.00 N ATOM 0 H ARG A 86 6.457 9.200 4.406 1.00 0.00 H new ATOM 0 HA ARG A 86 5.820 7.224 6.095 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.213 6.715 6.255 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.827 7.257 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.576 9.591 5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.073 8.953 6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.470 7.219 5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.234 8.342 4.108 1.00 0.00 H new ATOM 0 HE ARG A 86 11.647 9.925 5.170 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.923 7.205 7.329 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.152 7.661 8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.239 10.515 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 86 13.467 9.541 8.156 1.00 0.00 H new ATOM 1280 N GLY A 87 7.100 9.752 7.770 1.00 0.00 N ATOM 1281 CA GLY A 87 7.261 10.326 9.095 1.00 0.00 C ATOM 1282 C GLY A 87 5.903 10.667 9.714 1.00 0.00 C ATOM 1283 O GLY A 87 5.695 10.467 10.910 1.00 0.00 O ATOM 0 H GLY A 87 7.368 10.368 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 87 7.791 9.623 9.738 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.873 11.226 9.033 1.00 0.00 H new ATOM 1287 N ALA A 88 5.015 11.173 8.871 1.00 0.00 N ATOM 1288 CA ALA A 88 3.684 11.542 9.321 1.00 0.00 C ATOM 1289 C ALA A 88 2.981 10.308 9.890 1.00 0.00 C ATOM 1290 O ALA A 88 1.989 10.429 10.607 1.00 0.00 O ATOM 1291 CB ALA A 88 2.909 12.170 8.160 1.00 0.00 C ATOM 0 H ALA A 88 5.191 11.336 7.880 1.00 0.00 H new ATOM 0 HA ALA A 88 3.741 12.285 10.117 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.910 12.447 8.497 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.434 13.059 7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.830 11.451 7.344 1.00 0.00 H new ATOM 1297 N GLY A 89 3.523 9.147 9.548 1.00 0.00 N ATOM 1298 CA GLY A 89 2.961 7.893 10.016 1.00 0.00 C ATOM 1299 C GLY A 89 2.000 7.303 8.982 1.00 0.00 C ATOM 1300 O GLY A 89 0.790 7.509 9.066 1.00 0.00 O ATOM 0 H GLY A 89 4.345 9.050 8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.764 7.184 10.218 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.434 8.055 10.956 1.00 0.00 H new ATOM 1304 N MET A 90 2.574 6.582 8.031 1.00 0.00 N ATOM 1305 CA MET A 90 1.783 5.961 6.981 1.00 0.00 C ATOM 1306 C MET A 90 2.258 4.533 6.708 1.00 0.00 C ATOM 1307 O MET A 90 3.032 4.299 5.781 1.00 0.00 O ATOM 1308 CB MET A 90 1.894 6.790 5.700 1.00 0.00 C ATOM 1309 CG MET A 90 0.855 6.345 4.668 1.00 0.00 C ATOM 1310 SD MET A 90 0.141 7.772 3.866 1.00 0.00 S ATOM 1311 CE MET A 90 -0.924 6.962 2.685 1.00 0.00 C ATOM 0 H MET A 90 3.578 6.413 7.965 1.00 0.00 H new ATOM 0 HA MET A 90 0.745 5.921 7.310 1.00 0.00 H new ATOM 0 HB2 MET A 90 1.753 7.846 5.932 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.895 6.687 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.321 5.696 3.927 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.073 5.762 5.155 1.00 0.00 H new ATOM 0 HE1 MET A 90 -1.754 7.621 2.432 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.357 6.729 1.784 1.00 0.00 H new ATOM 0 HE3 MET A 90 -1.312 6.040 3.118 1.00 0.00 H new ATOM 1321 N VAL A 91 1.775 3.614 7.532 1.00 0.00 N ATOM 1322 CA VAL A 91 2.141 2.215 7.391 1.00 0.00 C ATOM 1323 C VAL A 91 0.878 1.383 7.162 1.00 0.00 C ATOM 1324 O VAL A 91 -0.188 1.711 7.679 1.00 0.00 O ATOM 1325 CB VAL A 91 2.945 1.759 8.610 1.00 0.00 C ATOM 1326 CG1 VAL A 91 4.286 2.490 8.688 1.00 0.00 C ATOM 1327 CG2 VAL A 91 2.142 1.949 9.899 1.00 0.00 C ATOM 0 H VAL A 91 1.133 3.811 8.300 1.00 0.00 H new ATOM 0 HA VAL A 91 2.785 2.074 6.523 1.00 0.00 H new ATOM 0 HB VAL A 91 3.150 0.695 8.496 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.837 2.147 9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.867 2.282 7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.111 3.563 8.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.736 1.617 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.892 3.003 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.225 1.362 9.846 1.00 0.00 H new ATOM 1337 N GLY A 92 1.041 0.321 6.386 1.00 0.00 N ATOM 1338 CA GLY A 92 -0.073 -0.561 6.082 1.00 0.00 C ATOM 1339 C GLY A 92 0.403 -2.005 5.908 1.00 0.00 C ATOM 1340 O GLY A 92 1.566 -2.244 5.587 1.00 0.00 O ATOM 0 H GLY A 92 1.927 0.052 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.810 -0.511 6.883 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.569 -0.226 5.171 1.00 0.00 H new ATOM 1344 N THR A 93 -0.521 -2.929 6.128 1.00 0.00 N ATOM 1345 CA THR A 93 -0.210 -4.343 5.999 1.00 0.00 C ATOM 1346 C THR A 93 -1.305 -5.059 5.206 1.00 0.00 C ATOM 1347 O THR A 93 -2.426 -4.563 5.101 1.00 0.00 O ATOM 1348 CB THR A 93 -0.007 -4.912 7.405 1.00 0.00 C ATOM 1349 OG1 THR A 93 0.593 -3.842 8.129 1.00 0.00 O ATOM 1350 CG2 THR A 93 1.045 -6.022 7.440 1.00 0.00 C ATOM 0 H THR A 93 -1.484 -2.726 6.395 1.00 0.00 H new ATOM 0 HA THR A 93 0.710 -4.496 5.435 1.00 0.00 H new ATOM 0 HB THR A 93 -0.955 -5.298 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.758 -4.124 9.053 1.00 0.00 H new ATOM 0 HG21 THR A 93 1.151 -6.391 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.734 -6.839 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.001 -5.628 7.096 1.00 0.00 H new ATOM 1358 N ILE A 94 -0.942 -6.214 4.667 1.00 0.00 N ATOM 1359 CA ILE A 94 -1.879 -7.003 3.887 1.00 0.00 C ATOM 1360 C ILE A 94 -1.662 -8.488 4.187 1.00 0.00 C ATOM 1361 O ILE A 94 -0.532 -8.973 4.156 1.00 0.00 O ATOM 1362 CB ILE A 94 -1.767 -6.654 2.402 1.00 0.00 C ATOM 1363 CG1 ILE A 94 -2.270 -5.233 2.133 1.00 0.00 C ATOM 1364 CG2 ILE A 94 -2.490 -7.689 1.539 1.00 0.00 C ATOM 1365 CD1 ILE A 94 -1.710 -4.693 0.816 1.00 0.00 C ATOM 0 H ILE A 94 -0.011 -6.622 4.756 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.904 -6.766 4.170 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.713 -6.682 2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.359 -5.230 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.976 -4.578 2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.395 -7.417 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.047 -8.671 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.545 -7.718 1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.083 -3.682 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -0.621 -4.675 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.026 -5.337 -0.005 1.00 0.00 H new ATOM 1377 N THR A 95 -2.763 -9.168 4.470 1.00 0.00 N ATOM 1378 CA THR A 95 -2.707 -10.589 4.775 1.00 0.00 C ATOM 1379 C THR A 95 -3.403 -11.397 3.678 1.00 0.00 C ATOM 1380 O THR A 95 -4.392 -10.947 3.102 1.00 0.00 O ATOM 1381 CB THR A 95 -3.318 -10.798 6.162 1.00 0.00 C ATOM 1382 OG1 THR A 95 -2.511 -9.994 7.021 1.00 0.00 O ATOM 1383 CG2 THR A 95 -3.112 -12.222 6.684 1.00 0.00 C ATOM 0 H THR A 95 -3.699 -8.763 4.495 1.00 0.00 H new ATOM 0 HA THR A 95 -1.678 -10.949 4.798 1.00 0.00 H new ATOM 0 HB THR A 95 -4.384 -10.575 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.838 -10.069 7.942 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.564 -12.317 7.671 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.580 -12.931 6.001 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.045 -12.434 6.752 1.00 0.00 H new ATOM 1391 N VAL A 96 -2.858 -12.578 3.422 1.00 0.00 N ATOM 1392 CA VAL A 96 -3.413 -13.454 2.404 1.00 0.00 C ATOM 1393 C VAL A 96 -3.670 -14.834 3.011 1.00 0.00 C ATOM 1394 O VAL A 96 -2.911 -15.772 2.773 1.00 0.00 O ATOM 1395 CB VAL A 96 -2.484 -13.498 1.189 1.00 0.00 C ATOM 1396 CG1 VAL A 96 -2.699 -14.779 0.382 1.00 0.00 C ATOM 1397 CG2 VAL A 96 -2.671 -12.259 0.311 1.00 0.00 C ATOM 0 H VAL A 96 -2.038 -12.948 3.902 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.370 -13.071 2.050 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.456 -13.499 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.027 -14.786 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.493 -15.645 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.731 -14.821 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.999 -12.315 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.702 -12.213 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.445 -11.364 0.891 1.00 0.00 H new ATOM 1407 N GLU A 97 -4.743 -14.915 3.784 1.00 0.00 N ATOM 1408 CA GLU A 97 -5.110 -16.166 4.426 1.00 0.00 C ATOM 1409 C GLU A 97 -5.603 -17.173 3.385 1.00 0.00 C ATOM 1410 O GLU A 97 -6.327 -18.110 3.718 1.00 0.00 O ATOM 1411 CB GLU A 97 -6.165 -15.937 5.510 1.00 0.00 C ATOM 1412 CG GLU A 97 -5.967 -16.900 6.682 1.00 0.00 C ATOM 1413 CD GLU A 97 -7.295 -17.530 7.105 1.00 0.00 C ATOM 1414 OE1 GLU A 97 -8.157 -16.765 7.590 1.00 0.00 O ATOM 1415 OE2 GLU A 97 -7.420 -18.762 6.933 1.00 0.00 O ATOM 1416 OXT GLU A 97 -5.190 -16.946 2.147 1.00 0.00 O ATOM 0 H GLU A 97 -5.370 -14.135 3.980 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.224 -16.577 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.108 -14.909 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.161 -16.073 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.263 -17.683 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -5.529 -16.367 7.525 1.00 0.00 H new TER 1423 GLU A 97 HETATM 1424 CU CU1 A 110 1.469 9.052 1.556 1.00 0.00 CU