USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 606 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 63 HIS HD1 : A 63 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 43 GLN : amide:sc= -0.419 K(o=-0.81,f=-2.6) USER MOD Set 1.2: A 46 TYR OH : rot 178:sc= -0.387 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0754 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 58:sc= 1.24 USER MOD Single : A 8 SER OG : rot 30:sc= 0.18 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 45 SER OG : rot 21:sc= 0.904! USER MOD Single : A 49 MET CE :methyl -177:sc= -2.8! (180deg=-2.88!) USER MOD Single : A 54 ASN : amide:sc= -1.25 K(o=-1.3,f=-2.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.0455 K(o=-0.045,f=-1.6!) USER MOD Single : A 86 SER OG : rot 180:sc= 0.00117 USER MOD Single : A 89 SER OG : rot -57:sc= 0.235 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 65.755 34.545 77.040 1.00 0.00 N ATOM 2 CA GLY A 1 65.224 35.606 76.204 1.00 0.00 C ATOM 3 C GLY A 1 65.107 35.194 74.750 1.00 0.00 C ATOM 4 O GLY A 1 65.734 34.226 74.319 1.00 0.00 O ATOM 0 H1 GLY A 1 65.024 34.232 77.710 1.00 0.00 H new ATOM 0 H2 GLY A 1 66.043 33.744 76.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 66.579 34.898 77.567 1.00 0.00 H new ATOM 0 HA2 GLY A 1 64.242 35.900 76.575 1.00 0.00 H new ATOM 0 HA3 GLY A 1 65.869 36.481 76.280 1.00 0.00 H new ATOM 8 N SER A 2 64.301 35.930 73.991 1.00 0.00 N ATOM 9 CA SER A 2 64.100 35.633 72.578 1.00 0.00 C ATOM 10 C SER A 2 63.234 36.701 71.916 1.00 0.00 C ATOM 11 O SER A 2 62.569 37.484 72.594 1.00 0.00 O ATOM 12 CB SER A 2 63.449 34.258 72.412 1.00 0.00 C ATOM 13 OG SER A 2 63.517 33.821 71.066 1.00 0.00 O ATOM 0 H SER A 2 63.777 36.736 74.331 1.00 0.00 H new ATOM 0 HA SER A 2 65.075 35.627 72.091 1.00 0.00 H new ATOM 0 HB2 SER A 2 63.948 33.536 73.058 1.00 0.00 H new ATOM 0 HB3 SER A 2 62.408 34.304 72.730 1.00 0.00 H new ATOM 0 HG SER A 2 63.096 32.940 70.987 1.00 0.00 H new ATOM 19 N SER A 3 63.248 36.726 70.588 1.00 0.00 N ATOM 20 CA SER A 3 62.468 37.699 69.833 1.00 0.00 C ATOM 21 C SER A 3 62.529 37.403 68.337 1.00 0.00 C ATOM 22 O SER A 3 63.185 36.455 67.907 1.00 0.00 O ATOM 23 CB SER A 3 62.979 39.115 70.105 1.00 0.00 C ATOM 24 OG SER A 3 64.287 39.293 69.590 1.00 0.00 O ATOM 0 H SER A 3 63.791 36.083 70.012 1.00 0.00 H new ATOM 0 HA SER A 3 61.430 37.626 70.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 62.304 39.842 69.652 1.00 0.00 H new ATOM 0 HB3 SER A 3 62.978 39.305 71.178 1.00 0.00 H new ATOM 0 HG SER A 3 64.590 40.206 69.775 1.00 0.00 H new ATOM 30 N GLY A 4 61.841 38.223 67.549 1.00 0.00 N ATOM 31 CA GLY A 4 61.829 38.033 66.110 1.00 0.00 C ATOM 32 C GLY A 4 60.818 38.923 65.416 1.00 0.00 C ATOM 33 O GLY A 4 59.903 39.447 66.051 1.00 0.00 O ATOM 0 H GLY A 4 61.292 39.016 67.881 1.00 0.00 H new ATOM 0 HA2 GLY A 4 62.823 38.238 65.711 1.00 0.00 H new ATOM 0 HA3 GLY A 4 61.604 36.990 65.886 1.00 0.00 H new ATOM 37 N SER A 5 60.983 39.096 64.108 1.00 0.00 N ATOM 38 CA SER A 5 60.080 39.934 63.328 1.00 0.00 C ATOM 39 C SER A 5 60.408 39.847 61.841 1.00 0.00 C ATOM 40 O SER A 5 61.480 39.381 61.456 1.00 0.00 O ATOM 41 CB SER A 5 60.166 41.387 63.797 1.00 0.00 C ATOM 42 OG SER A 5 58.939 42.065 63.585 1.00 0.00 O ATOM 0 H SER A 5 61.734 38.667 63.567 1.00 0.00 H new ATOM 0 HA SER A 5 59.064 39.571 63.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 60.423 41.416 64.856 1.00 0.00 H new ATOM 0 HB3 SER A 5 60.965 41.899 63.261 1.00 0.00 H new ATOM 0 HG SER A 5 59.019 42.991 63.895 1.00 0.00 H new ATOM 48 N SER A 6 59.476 40.300 61.008 1.00 0.00 N ATOM 49 CA SER A 6 59.663 40.271 59.562 1.00 0.00 C ATOM 50 C SER A 6 58.515 40.982 58.852 1.00 0.00 C ATOM 51 O SER A 6 57.573 41.454 59.488 1.00 0.00 O ATOM 52 CB SER A 6 59.767 38.827 59.069 1.00 0.00 C ATOM 53 OG SER A 6 61.111 38.378 59.087 1.00 0.00 O ATOM 0 H SER A 6 58.584 40.691 61.310 1.00 0.00 H new ATOM 0 HA SER A 6 60.591 40.794 59.329 1.00 0.00 H new ATOM 0 HB2 SER A 6 59.156 38.180 59.698 1.00 0.00 H new ATOM 0 HB3 SER A 6 59.370 38.756 58.056 1.00 0.00 H new ATOM 0 HG SER A 6 61.468 38.451 59.997 1.00 0.00 H new ATOM 59 N GLY A 7 58.601 41.053 57.527 1.00 0.00 N ATOM 60 CA GLY A 7 57.564 41.707 56.750 1.00 0.00 C ATOM 61 C GLY A 7 57.650 41.377 55.273 1.00 0.00 C ATOM 62 O GLY A 7 58.485 40.574 54.858 1.00 0.00 O ATOM 0 H GLY A 7 59.370 40.669 56.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 56.587 41.408 57.130 1.00 0.00 H new ATOM 0 HA3 GLY A 7 57.641 42.786 56.883 1.00 0.00 H new ATOM 66 N SER A 8 56.784 41.997 54.478 1.00 0.00 N ATOM 67 CA SER A 8 56.762 41.761 53.040 1.00 0.00 C ATOM 68 C SER A 8 55.786 42.707 52.348 1.00 0.00 C ATOM 69 O SER A 8 54.593 42.742 52.653 1.00 0.00 O ATOM 70 CB SER A 8 56.378 40.309 52.746 1.00 0.00 C ATOM 71 OG SER A 8 55.165 39.962 53.391 1.00 0.00 O ATOM 0 H SER A 8 56.088 42.667 54.806 1.00 0.00 H new ATOM 0 HA SER A 8 57.762 41.951 52.651 1.00 0.00 H new ATOM 0 HB2 SER A 8 56.275 40.167 51.670 1.00 0.00 H new ATOM 0 HB3 SER A 8 57.174 39.644 53.080 1.00 0.00 H new ATOM 0 HG SER A 8 54.603 40.760 53.481 1.00 0.00 H new ATOM 77 N PRO A 9 56.302 43.495 51.393 1.00 0.00 N ATOM 78 CA PRO A 9 55.494 44.457 50.638 1.00 0.00 C ATOM 79 C PRO A 9 54.521 43.773 49.684 1.00 0.00 C ATOM 80 O PRO A 9 54.415 42.547 49.665 1.00 0.00 O ATOM 81 CB PRO A 9 56.537 45.258 49.854 1.00 0.00 C ATOM 82 CG PRO A 9 57.702 44.338 49.725 1.00 0.00 C ATOM 83 CD PRO A 9 57.715 43.507 50.978 1.00 0.00 C ATOM 0 HA PRO A 9 54.870 45.067 51.291 1.00 0.00 H new ATOM 0 HB2 PRO A 9 56.156 45.554 48.877 1.00 0.00 H new ATOM 0 HB3 PRO A 9 56.811 46.173 50.380 1.00 0.00 H new ATOM 0 HG2 PRO A 9 57.606 43.708 48.840 1.00 0.00 H new ATOM 0 HG3 PRO A 9 58.631 44.898 49.618 1.00 0.00 H new ATOM 0 HD2 PRO A 9 58.087 42.500 50.789 1.00 0.00 H new ATOM 0 HD3 PRO A 9 58.355 43.945 51.744 1.00 0.00 H new ATOM 91 N GLU A 10 53.813 44.574 48.894 1.00 0.00 N ATOM 92 CA GLU A 10 52.848 44.044 47.938 1.00 0.00 C ATOM 93 C GLU A 10 52.648 45.010 46.773 1.00 0.00 C ATOM 94 O GLU A 10 53.223 46.099 46.751 1.00 0.00 O ATOM 95 CB GLU A 10 51.508 43.775 48.627 1.00 0.00 C ATOM 96 CG GLU A 10 51.607 42.803 49.791 1.00 0.00 C ATOM 97 CD GLU A 10 50.311 42.692 50.569 1.00 0.00 C ATOM 98 OE1 GLU A 10 49.838 43.727 51.084 1.00 0.00 O ATOM 99 OE2 GLU A 10 49.769 41.571 50.664 1.00 0.00 O ATOM 0 H GLU A 10 53.889 45.591 48.897 1.00 0.00 H new ATOM 0 HA GLU A 10 53.242 43.106 47.546 1.00 0.00 H new ATOM 0 HB2 GLU A 10 51.098 44.719 48.986 1.00 0.00 H new ATOM 0 HB3 GLU A 10 50.805 43.380 47.894 1.00 0.00 H new ATOM 0 HG2 GLU A 10 51.886 41.819 49.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 52.403 43.125 50.462 1.00 0.00 H new ATOM 106 N TYR A 11 51.830 44.604 45.809 1.00 0.00 N ATOM 107 CA TYR A 11 51.556 45.432 44.640 1.00 0.00 C ATOM 108 C TYR A 11 50.383 44.874 43.840 1.00 0.00 C ATOM 109 O TYR A 11 49.879 43.789 44.130 1.00 0.00 O ATOM 110 CB TYR A 11 52.798 45.521 43.751 1.00 0.00 C ATOM 111 CG TYR A 11 53.739 46.640 44.136 1.00 0.00 C ATOM 112 CD1 TYR A 11 53.284 47.948 44.255 1.00 0.00 C ATOM 113 CD2 TYR A 11 55.083 46.389 44.382 1.00 0.00 C ATOM 114 CE1 TYR A 11 54.141 48.973 44.605 1.00 0.00 C ATOM 115 CE2 TYR A 11 55.947 47.408 44.735 1.00 0.00 C ATOM 116 CZ TYR A 11 55.471 48.698 44.845 1.00 0.00 C ATOM 117 OH TYR A 11 56.328 49.717 45.196 1.00 0.00 O ATOM 0 H TYR A 11 51.345 43.707 45.813 1.00 0.00 H new ATOM 0 HA TYR A 11 51.293 46.431 44.987 1.00 0.00 H new ATOM 0 HB2 TYR A 11 53.336 44.574 43.796 1.00 0.00 H new ATOM 0 HB3 TYR A 11 52.485 45.661 42.716 1.00 0.00 H new ATOM 0 HD1 TYR A 11 52.243 48.167 44.071 1.00 0.00 H new ATOM 0 HD2 TYR A 11 55.459 45.380 44.296 1.00 0.00 H new ATOM 0 HE1 TYR A 11 53.772 49.984 44.690 1.00 0.00 H new ATOM 0 HE2 TYR A 11 56.989 47.196 44.924 1.00 0.00 H new ATOM 0 HH TYR A 11 57.229 49.355 45.331 1.00 0.00 H new ATOM 127 N GLY A 12 49.954 45.624 42.830 1.00 0.00 N ATOM 128 CA GLY A 12 48.843 45.190 42.003 1.00 0.00 C ATOM 129 C GLY A 12 48.664 46.055 40.771 1.00 0.00 C ATOM 130 O GLY A 12 49.325 47.083 40.626 1.00 0.00 O ATOM 0 H GLY A 12 50.356 46.525 42.569 1.00 0.00 H new ATOM 0 HA2 GLY A 12 49.004 44.156 41.697 1.00 0.00 H new ATOM 0 HA3 GLY A 12 47.926 45.209 42.593 1.00 0.00 H new ATOM 134 N MET A 13 47.769 45.639 39.882 1.00 0.00 N ATOM 135 CA MET A 13 47.506 46.384 38.656 1.00 0.00 C ATOM 136 C MET A 13 46.037 46.275 38.259 1.00 0.00 C ATOM 137 O MET A 13 45.413 45.220 38.378 1.00 0.00 O ATOM 138 CB MET A 13 48.393 45.869 37.521 1.00 0.00 C ATOM 139 CG MET A 13 49.723 46.597 37.412 1.00 0.00 C ATOM 140 SD MET A 13 50.945 45.671 36.463 1.00 0.00 S ATOM 141 CE MET A 13 52.465 46.416 37.051 1.00 0.00 C ATOM 0 H MET A 13 47.213 44.790 39.987 1.00 0.00 H new ATOM 0 HA MET A 13 47.737 47.433 38.840 1.00 0.00 H new ATOM 0 HB2 MET A 13 48.581 44.806 37.671 1.00 0.00 H new ATOM 0 HB3 MET A 13 47.856 45.967 36.578 1.00 0.00 H new ATOM 0 HG2 MET A 13 49.564 47.568 36.943 1.00 0.00 H new ATOM 0 HG3 MET A 13 50.112 46.786 38.412 1.00 0.00 H new ATOM 0 HE1 MET A 13 53.315 45.948 36.555 1.00 0.00 H new ATOM 0 HE2 MET A 13 52.457 47.483 36.828 1.00 0.00 H new ATOM 0 HE3 MET A 13 52.548 46.271 38.128 1.00 0.00 H new ATOM 151 N PRO A 14 45.470 47.390 37.775 1.00 0.00 N ATOM 152 CA PRO A 14 44.068 47.445 37.351 1.00 0.00 C ATOM 153 C PRO A 14 43.817 46.647 36.076 1.00 0.00 C ATOM 154 O PRO A 14 44.725 46.009 35.542 1.00 0.00 O ATOM 155 CB PRO A 14 43.830 48.937 37.103 1.00 0.00 C ATOM 156 CG PRO A 14 45.179 49.489 36.792 1.00 0.00 C ATOM 157 CD PRO A 14 46.154 48.683 37.605 1.00 0.00 C ATOM 0 HA PRO A 14 43.400 47.011 38.095 1.00 0.00 H new ATOM 0 HB2 PRO A 14 43.137 49.095 36.277 1.00 0.00 H new ATOM 0 HB3 PRO A 14 43.397 49.420 37.979 1.00 0.00 H new ATOM 0 HG2 PRO A 14 45.398 49.408 35.727 1.00 0.00 H new ATOM 0 HG3 PRO A 14 45.237 50.547 37.050 1.00 0.00 H new ATOM 0 HD2 PRO A 14 47.108 48.568 37.090 1.00 0.00 H new ATOM 0 HD3 PRO A 14 46.364 49.156 38.564 1.00 0.00 H new ATOM 165 N SER A 15 42.580 46.688 35.592 1.00 0.00 N ATOM 166 CA SER A 15 42.209 45.965 34.380 1.00 0.00 C ATOM 167 C SER A 15 41.463 46.877 33.411 1.00 0.00 C ATOM 168 O SER A 15 41.053 47.981 33.770 1.00 0.00 O ATOM 169 CB SER A 15 41.342 44.754 34.729 1.00 0.00 C ATOM 170 OG SER A 15 40.088 45.158 35.251 1.00 0.00 O ATOM 0 H SER A 15 41.818 47.214 36.020 1.00 0.00 H new ATOM 0 HA SER A 15 43.123 45.621 33.897 1.00 0.00 H new ATOM 0 HB2 SER A 15 41.189 44.144 33.839 1.00 0.00 H new ATOM 0 HB3 SER A 15 41.859 44.131 35.458 1.00 0.00 H new ATOM 0 HG SER A 15 39.552 44.366 35.465 1.00 0.00 H new ATOM 176 N VAL A 16 41.290 46.406 32.180 1.00 0.00 N ATOM 177 CA VAL A 16 40.592 47.177 31.158 1.00 0.00 C ATOM 178 C VAL A 16 39.346 46.445 30.672 1.00 0.00 C ATOM 179 O VAL A 16 39.118 45.285 31.018 1.00 0.00 O ATOM 180 CB VAL A 16 41.506 47.467 29.952 1.00 0.00 C ATOM 181 CG1 VAL A 16 42.709 48.293 30.381 1.00 0.00 C ATOM 182 CG2 VAL A 16 41.948 46.168 29.295 1.00 0.00 C ATOM 0 H VAL A 16 41.624 45.495 31.866 1.00 0.00 H new ATOM 0 HA VAL A 16 40.299 48.121 31.619 1.00 0.00 H new ATOM 0 HB VAL A 16 40.941 48.044 29.220 1.00 0.00 H new ATOM 0 HG11 VAL A 16 43.343 48.488 29.516 1.00 0.00 H new ATOM 0 HG12 VAL A 16 42.369 49.239 30.803 1.00 0.00 H new ATOM 0 HG13 VAL A 16 43.278 47.745 31.132 1.00 0.00 H new ATOM 0 HG21 VAL A 16 42.593 46.391 28.445 1.00 0.00 H new ATOM 0 HG22 VAL A 16 42.496 45.563 30.017 1.00 0.00 H new ATOM 0 HG23 VAL A 16 41.072 45.618 28.951 1.00 0.00 H new ATOM 192 N THR A 17 38.540 47.131 29.867 1.00 0.00 N ATOM 193 CA THR A 17 37.315 46.547 29.334 1.00 0.00 C ATOM 194 C THR A 17 37.177 46.827 27.842 1.00 0.00 C ATOM 195 O THR A 17 37.528 47.908 27.368 1.00 0.00 O ATOM 196 CB THR A 17 36.071 47.087 30.064 1.00 0.00 C ATOM 197 OG1 THR A 17 36.168 46.813 31.466 1.00 0.00 O ATOM 198 CG2 THR A 17 34.802 46.460 29.507 1.00 0.00 C ATOM 0 H THR A 17 38.714 48.091 29.570 1.00 0.00 H new ATOM 0 HA THR A 17 37.382 45.471 29.494 1.00 0.00 H new ATOM 0 HB THR A 17 36.024 48.165 29.907 1.00 0.00 H new ATOM 0 HG1 THR A 17 35.374 47.161 31.923 1.00 0.00 H new ATOM 0 HG21 THR A 17 33.937 46.857 30.038 1.00 0.00 H new ATOM 0 HG22 THR A 17 34.716 46.695 28.446 1.00 0.00 H new ATOM 0 HG23 THR A 17 34.843 45.379 29.637 1.00 0.00 H new ATOM 206 N PHE A 18 36.663 45.847 27.106 1.00 0.00 N ATOM 207 CA PHE A 18 36.478 45.989 25.666 1.00 0.00 C ATOM 208 C PHE A 18 35.055 45.618 25.262 1.00 0.00 C ATOM 209 O PHE A 18 34.259 45.173 26.087 1.00 0.00 O ATOM 210 CB PHE A 18 37.480 45.111 24.914 1.00 0.00 C ATOM 211 CG PHE A 18 38.892 45.619 24.982 1.00 0.00 C ATOM 212 CD1 PHE A 18 39.282 46.721 24.238 1.00 0.00 C ATOM 213 CD2 PHE A 18 39.828 44.995 25.790 1.00 0.00 C ATOM 214 CE1 PHE A 18 40.581 47.191 24.298 1.00 0.00 C ATOM 215 CE2 PHE A 18 41.128 45.461 25.854 1.00 0.00 C ATOM 216 CZ PHE A 18 41.505 46.559 25.107 1.00 0.00 C ATOM 0 H PHE A 18 36.367 44.946 27.483 1.00 0.00 H new ATOM 0 HA PHE A 18 36.651 47.033 25.403 1.00 0.00 H new ATOM 0 HB2 PHE A 18 37.445 44.102 25.324 1.00 0.00 H new ATOM 0 HB3 PHE A 18 37.177 45.041 23.869 1.00 0.00 H new ATOM 0 HD1 PHE A 18 38.563 47.219 23.604 1.00 0.00 H new ATOM 0 HD2 PHE A 18 39.539 44.135 26.376 1.00 0.00 H new ATOM 0 HE1 PHE A 18 40.873 48.051 23.713 1.00 0.00 H new ATOM 0 HE2 PHE A 18 41.849 44.966 26.488 1.00 0.00 H new ATOM 0 HZ PHE A 18 42.521 46.923 25.155 1.00 0.00 H new ATOM 226 N GLY A 19 34.741 45.805 23.983 1.00 0.00 N ATOM 227 CA GLY A 19 33.414 45.486 23.490 1.00 0.00 C ATOM 228 C GLY A 19 33.249 45.810 22.018 1.00 0.00 C ATOM 229 O GLY A 19 34.002 46.610 21.464 1.00 0.00 O ATOM 0 H GLY A 19 35.382 46.172 23.280 1.00 0.00 H new ATOM 0 HA2 GLY A 19 33.215 44.426 23.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 32.673 46.040 24.066 1.00 0.00 H new ATOM 233 N SER A 20 32.262 45.185 21.384 1.00 0.00 N ATOM 234 CA SER A 20 32.003 45.407 19.966 1.00 0.00 C ATOM 235 C SER A 20 30.559 45.063 19.616 1.00 0.00 C ATOM 236 O SER A 20 29.883 44.347 20.355 1.00 0.00 O ATOM 237 CB SER A 20 32.960 44.570 19.115 1.00 0.00 C ATOM 238 OG SER A 20 32.553 43.213 19.076 1.00 0.00 O ATOM 0 H SER A 20 31.629 44.521 21.830 1.00 0.00 H new ATOM 0 HA SER A 20 32.167 46.463 19.753 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.997 44.971 18.102 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.969 44.639 19.522 1.00 0.00 H new ATOM 0 HG SER A 20 33.180 42.699 18.525 1.00 0.00 H new ATOM 244 N VAL A 21 30.091 45.578 18.484 1.00 0.00 N ATOM 245 CA VAL A 21 28.728 45.325 18.034 1.00 0.00 C ATOM 246 C VAL A 21 28.700 44.279 16.926 1.00 0.00 C ATOM 247 O VAL A 21 29.317 44.456 15.875 1.00 0.00 O ATOM 248 CB VAL A 21 28.056 46.615 17.525 1.00 0.00 C ATOM 249 CG1 VAL A 21 28.810 47.172 16.327 1.00 0.00 C ATOM 250 CG2 VAL A 21 26.599 46.354 17.175 1.00 0.00 C ATOM 0 H VAL A 21 30.637 46.174 17.861 1.00 0.00 H new ATOM 0 HA VAL A 21 28.175 44.952 18.896 1.00 0.00 H new ATOM 0 HB VAL A 21 28.086 47.359 18.321 1.00 0.00 H new ATOM 0 HG11 VAL A 21 28.321 48.083 15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 21 29.836 47.398 16.616 1.00 0.00 H new ATOM 0 HG13 VAL A 21 28.813 46.435 15.524 1.00 0.00 H new ATOM 0 HG21 VAL A 21 26.140 47.276 16.817 1.00 0.00 H new ATOM 0 HG22 VAL A 21 26.543 45.594 16.395 1.00 0.00 H new ATOM 0 HG23 VAL A 21 26.069 46.005 18.061 1.00 0.00 H new ATOM 260 N HIS A 22 27.979 43.189 17.167 1.00 0.00 N ATOM 261 CA HIS A 22 27.869 42.113 16.188 1.00 0.00 C ATOM 262 C HIS A 22 27.256 42.623 14.887 1.00 0.00 C ATOM 263 O HIS A 22 26.404 43.512 14.881 1.00 0.00 O ATOM 264 CB HIS A 22 27.025 40.968 16.749 1.00 0.00 C ATOM 265 CG HIS A 22 27.590 40.365 17.998 1.00 0.00 C ATOM 266 ND1 HIS A 22 27.149 40.698 19.261 1.00 0.00 N ATOM 267 CD2 HIS A 22 28.564 39.442 18.173 1.00 0.00 C ATOM 268 CE1 HIS A 22 27.829 40.008 20.159 1.00 0.00 C ATOM 269 NE2 HIS A 22 28.694 39.238 19.525 1.00 0.00 N ATOM 0 H HIS A 22 27.462 43.027 18.031 1.00 0.00 H new ATOM 0 HA HIS A 22 28.873 41.744 15.976 1.00 0.00 H new ATOM 0 HB2 HIS A 22 26.020 41.335 16.955 1.00 0.00 H new ATOM 0 HB3 HIS A 22 26.931 40.191 15.990 1.00 0.00 H new ATOM 0 HD2 HIS A 22 29.133 38.956 17.394 1.00 0.00 H new ATOM 0 HE1 HIS A 22 27.699 40.064 21.230 1.00 0.00 H new ATOM 0 HE2 HIS A 22 29.352 38.596 19.967 1.00 0.00 H new ATOM 278 N PRO A 23 27.698 42.048 13.759 1.00 0.00 N ATOM 279 CA PRO A 23 27.206 42.429 12.431 1.00 0.00 C ATOM 280 C PRO A 23 25.762 41.996 12.202 1.00 0.00 C ATOM 281 O PRO A 23 25.349 40.923 12.641 1.00 0.00 O ATOM 282 CB PRO A 23 28.145 41.685 11.478 1.00 0.00 C ATOM 283 CG PRO A 23 28.635 40.518 12.263 1.00 0.00 C ATOM 284 CD PRO A 23 28.712 40.982 13.692 1.00 0.00 C ATOM 0 HA PRO A 23 27.204 43.510 12.292 1.00 0.00 H new ATOM 0 HB2 PRO A 23 27.622 41.364 10.577 1.00 0.00 H new ATOM 0 HB3 PRO A 23 28.970 42.321 11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 23 27.958 39.669 12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 23 29.611 40.190 11.906 1.00 0.00 H new ATOM 0 HD2 PRO A 23 28.492 40.174 14.389 1.00 0.00 H new ATOM 0 HD3 PRO A 23 29.705 41.356 13.940 1.00 0.00 H new ATOM 292 N SER A 24 24.999 42.837 11.511 1.00 0.00 N ATOM 293 CA SER A 24 23.600 42.542 11.226 1.00 0.00 C ATOM 294 C SER A 24 23.454 41.162 10.592 1.00 0.00 C ATOM 295 O SER A 24 24.426 40.583 10.108 1.00 0.00 O ATOM 296 CB SER A 24 23.011 43.607 10.299 1.00 0.00 C ATOM 297 OG SER A 24 23.782 43.737 9.118 1.00 0.00 O ATOM 0 H SER A 24 25.326 43.728 11.138 1.00 0.00 H new ATOM 0 HA SER A 24 23.053 42.549 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 24 21.986 43.342 10.041 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.971 44.564 10.819 1.00 0.00 H new ATOM 0 HG SER A 24 23.384 44.422 8.541 1.00 0.00 H new ATOM 303 N ASP A 25 22.232 40.641 10.600 1.00 0.00 N ATOM 304 CA ASP A 25 21.956 39.330 10.025 1.00 0.00 C ATOM 305 C ASP A 25 20.550 39.279 9.435 1.00 0.00 C ATOM 306 O ASP A 25 19.559 39.431 10.150 1.00 0.00 O ATOM 307 CB ASP A 25 22.116 38.240 11.086 1.00 0.00 C ATOM 308 CG ASP A 25 21.403 38.583 12.380 1.00 0.00 C ATOM 309 OD1 ASP A 25 22.014 39.261 13.231 1.00 0.00 O ATOM 310 OD2 ASP A 25 20.235 38.172 12.541 1.00 0.00 O ATOM 0 H ASP A 25 21.417 41.107 10.998 1.00 0.00 H new ATOM 0 HA ASP A 25 22.673 39.155 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 25 21.726 37.299 10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.176 38.086 11.288 1.00 0.00 H new ATOM 315 N VAL A 26 20.471 39.068 8.125 1.00 0.00 N ATOM 316 CA VAL A 26 19.187 38.998 7.438 1.00 0.00 C ATOM 317 C VAL A 26 19.155 37.838 6.449 1.00 0.00 C ATOM 318 O VAL A 26 19.946 37.790 5.506 1.00 0.00 O ATOM 319 CB VAL A 26 18.880 40.307 6.687 1.00 0.00 C ATOM 320 CG1 VAL A 26 19.981 40.619 5.685 1.00 0.00 C ATOM 321 CG2 VAL A 26 17.527 40.220 5.996 1.00 0.00 C ATOM 0 H VAL A 26 21.281 38.943 7.518 1.00 0.00 H new ATOM 0 HA VAL A 26 18.427 38.840 8.203 1.00 0.00 H new ATOM 0 HB VAL A 26 18.841 41.120 7.411 1.00 0.00 H new ATOM 0 HG11 VAL A 26 19.747 41.547 5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 26 20.930 40.727 6.210 1.00 0.00 H new ATOM 0 HG13 VAL A 26 20.056 39.806 4.962 1.00 0.00 H new ATOM 0 HG21 VAL A 26 17.326 41.153 5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 17.535 39.396 5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 26 16.749 40.048 6.740 1.00 0.00 H new ATOM 331 N LEU A 27 18.235 36.905 6.669 1.00 0.00 N ATOM 332 CA LEU A 27 18.099 35.744 5.796 1.00 0.00 C ATOM 333 C LEU A 27 16.777 35.786 5.037 1.00 0.00 C ATOM 334 O LEU A 27 15.916 36.621 5.315 1.00 0.00 O ATOM 335 CB LEU A 27 18.191 34.454 6.613 1.00 0.00 C ATOM 336 CG LEU A 27 19.602 33.949 6.915 1.00 0.00 C ATOM 337 CD1 LEU A 27 20.144 34.604 8.176 1.00 0.00 C ATOM 338 CD2 LEU A 27 19.608 32.434 7.053 1.00 0.00 C ATOM 0 H LEU A 27 17.572 36.930 7.444 1.00 0.00 H new ATOM 0 HA LEU A 27 18.913 35.767 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.672 34.609 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 27 17.653 33.671 6.079 1.00 0.00 H new ATOM 0 HG LEU A 27 20.251 34.220 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 27 21.149 34.233 8.376 1.00 0.00 H new ATOM 0 HD12 LEU A 27 20.177 35.685 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 27 19.495 34.364 9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 27 20.620 32.092 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.945 32.140 7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.262 31.983 6.123 1.00 0.00 H new ATOM 350 N ASP A 28 16.622 34.879 4.078 1.00 0.00 N ATOM 351 CA ASP A 28 15.404 34.810 3.281 1.00 0.00 C ATOM 352 C ASP A 28 14.841 33.392 3.269 1.00 0.00 C ATOM 353 O ASP A 28 15.488 32.461 2.790 1.00 0.00 O ATOM 354 CB ASP A 28 15.679 35.274 1.849 1.00 0.00 C ATOM 355 CG ASP A 28 16.963 34.696 1.290 1.00 0.00 C ATOM 356 OD1 ASP A 28 18.040 34.984 1.854 1.00 0.00 O ATOM 357 OD2 ASP A 28 16.892 33.953 0.288 1.00 0.00 O ATOM 0 H ASP A 28 17.325 34.182 3.834 1.00 0.00 H new ATOM 0 HA ASP A 28 14.665 35.471 3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.845 34.984 1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.734 36.362 1.827 1.00 0.00 H new ATOM 362 N MET A 29 13.634 33.236 3.802 1.00 0.00 N ATOM 363 CA MET A 29 12.984 31.931 3.853 1.00 0.00 C ATOM 364 C MET A 29 13.239 31.147 2.569 1.00 0.00 C ATOM 365 O MET A 29 13.020 31.636 1.461 1.00 0.00 O ATOM 366 CB MET A 29 11.479 32.094 4.074 1.00 0.00 C ATOM 367 CG MET A 29 11.110 32.428 5.510 1.00 0.00 C ATOM 368 SD MET A 29 9.407 31.988 5.909 1.00 0.00 S ATOM 369 CE MET A 29 9.628 30.337 6.566 1.00 0.00 C ATOM 0 H MET A 29 13.086 33.996 4.205 1.00 0.00 H new ATOM 0 HA MET A 29 13.408 31.374 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 29 11.107 32.882 3.419 1.00 0.00 H new ATOM 0 HB3 MET A 29 10.975 31.172 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.785 31.903 6.186 1.00 0.00 H new ATOM 0 HG3 MET A 29 11.255 33.495 5.680 1.00 0.00 H new ATOM 0 HE1 MET A 29 8.660 29.929 6.858 1.00 0.00 H new ATOM 0 HE2 MET A 29 10.076 29.699 5.804 1.00 0.00 H new ATOM 0 HE3 MET A 29 10.283 30.376 7.436 1.00 0.00 H new ATOM 379 N PRO A 30 13.713 29.901 2.720 1.00 0.00 N ATOM 380 CA PRO A 30 14.007 29.023 1.583 1.00 0.00 C ATOM 381 C PRO A 30 12.743 28.561 0.866 1.00 0.00 C ATOM 382 O PRO A 30 11.910 27.861 1.442 1.00 0.00 O ATOM 383 CB PRO A 30 14.720 27.833 2.230 1.00 0.00 C ATOM 384 CG PRO A 30 14.230 27.816 3.636 1.00 0.00 C ATOM 385 CD PRO A 30 13.997 29.253 4.011 1.00 0.00 C ATOM 0 HA PRO A 30 14.598 29.528 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.481 26.902 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.803 27.951 2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.311 27.236 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.962 27.354 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.163 29.357 4.705 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.871 29.689 4.496 1.00 0.00 H new ATOM 393 N VAL A 31 12.606 28.956 -0.396 1.00 0.00 N ATOM 394 CA VAL A 31 11.445 28.581 -1.193 1.00 0.00 C ATOM 395 C VAL A 31 11.348 27.067 -1.345 1.00 0.00 C ATOM 396 O VAL A 31 12.355 26.387 -1.546 1.00 0.00 O ATOM 397 CB VAL A 31 11.492 29.224 -2.592 1.00 0.00 C ATOM 398 CG1 VAL A 31 12.589 28.591 -3.434 1.00 0.00 C ATOM 399 CG2 VAL A 31 10.142 29.100 -3.281 1.00 0.00 C ATOM 0 H VAL A 31 13.286 29.536 -0.888 1.00 0.00 H new ATOM 0 HA VAL A 31 10.566 28.947 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 31 11.720 30.284 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.607 29.058 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.552 28.737 -2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.395 27.524 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.194 29.560 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.882 28.047 -3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.382 29.605 -2.685 1.00 0.00 H new ATOM 409 N ASP A 32 10.131 26.545 -1.249 1.00 0.00 N ATOM 410 CA ASP A 32 9.901 25.110 -1.377 1.00 0.00 C ATOM 411 C ASP A 32 9.315 24.774 -2.744 1.00 0.00 C ATOM 412 O ASP A 32 8.642 25.588 -3.376 1.00 0.00 O ATOM 413 CB ASP A 32 8.964 24.621 -0.272 1.00 0.00 C ATOM 414 CG ASP A 32 9.068 25.458 0.988 1.00 0.00 C ATOM 415 OD1 ASP A 32 9.969 25.185 1.808 1.00 0.00 O ATOM 416 OD2 ASP A 32 8.248 26.385 1.155 1.00 0.00 O ATOM 0 H ASP A 32 9.287 27.094 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 32 10.861 24.603 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.936 24.642 -0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.197 23.583 -0.035 1.00 0.00 H new ATOM 421 N PRO A 33 9.576 23.545 -3.215 1.00 0.00 N ATOM 422 CA PRO A 33 9.084 23.073 -4.512 1.00 0.00 C ATOM 423 C PRO A 33 7.574 22.860 -4.517 1.00 0.00 C ATOM 424 O PRO A 33 6.873 23.344 -5.403 1.00 0.00 O ATOM 425 CB PRO A 33 9.813 21.740 -4.704 1.00 0.00 C ATOM 426 CG PRO A 33 10.127 21.278 -3.323 1.00 0.00 C ATOM 427 CD PRO A 33 10.372 22.522 -2.516 1.00 0.00 C ATOM 0 HA PRO A 33 9.271 23.795 -5.306 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.188 21.019 -5.230 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.720 21.866 -5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 33 9.302 20.700 -2.908 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.004 20.631 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.050 22.400 -1.482 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.430 22.783 -2.492 1.00 0.00 H new ATOM 435 N ASN A 34 7.081 22.132 -3.520 1.00 0.00 N ATOM 436 CA ASN A 34 5.653 21.855 -3.410 1.00 0.00 C ATOM 437 C ASN A 34 5.121 21.223 -4.693 1.00 0.00 C ATOM 438 O ASN A 34 3.983 21.468 -5.091 1.00 0.00 O ATOM 439 CB ASN A 34 4.885 23.143 -3.106 1.00 0.00 C ATOM 440 CG ASN A 34 4.743 23.393 -1.617 1.00 0.00 C ATOM 441 OD1 ASN A 34 5.703 23.253 -0.858 1.00 0.00 O ATOM 442 ND2 ASN A 34 3.542 23.765 -1.191 1.00 0.00 N ATOM 0 H ASN A 34 7.649 21.724 -2.777 1.00 0.00 H new ATOM 0 HA ASN A 34 5.507 21.150 -2.591 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.399 23.987 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.895 23.088 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.386 23.947 -0.200 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.775 23.869 -1.855 1.00 0.00 H new ATOM 449 N GLU A 35 5.954 20.409 -5.334 1.00 0.00 N ATOM 450 CA GLU A 35 5.566 19.742 -6.572 1.00 0.00 C ATOM 451 C GLU A 35 4.660 18.548 -6.286 1.00 0.00 C ATOM 452 O GLU A 35 4.721 17.931 -5.222 1.00 0.00 O ATOM 453 CB GLU A 35 6.807 19.282 -7.340 1.00 0.00 C ATOM 454 CG GLU A 35 7.683 20.427 -7.822 1.00 0.00 C ATOM 455 CD GLU A 35 9.098 19.984 -8.139 1.00 0.00 C ATOM 456 OE1 GLU A 35 9.662 19.192 -7.355 1.00 0.00 O ATOM 457 OE2 GLU A 35 9.643 20.430 -9.171 1.00 0.00 O ATOM 0 H GLU A 35 6.900 20.196 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 35 5.014 20.457 -7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.399 18.628 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.493 18.689 -8.199 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.237 20.871 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.712 21.204 -7.058 1.00 0.00 H new ATOM 464 N PRO A 36 3.799 18.213 -7.258 1.00 0.00 N ATOM 465 CA PRO A 36 2.864 17.091 -7.135 1.00 0.00 C ATOM 466 C PRO A 36 3.572 15.740 -7.163 1.00 0.00 C ATOM 467 O PRO A 36 4.586 15.572 -7.841 1.00 0.00 O ATOM 468 CB PRO A 36 1.961 17.246 -8.362 1.00 0.00 C ATOM 469 CG PRO A 36 2.792 17.984 -9.353 1.00 0.00 C ATOM 470 CD PRO A 36 3.673 18.903 -8.553 1.00 0.00 C ATOM 0 HA PRO A 36 2.326 17.111 -6.187 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.650 16.276 -8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.053 17.797 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.388 17.296 -9.952 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.166 18.548 -10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.643 19.045 -9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.226 19.891 -8.440 1.00 0.00 H new ATOM 478 N THR A 37 3.032 14.779 -6.420 1.00 0.00 N ATOM 479 CA THR A 37 3.612 13.443 -6.359 1.00 0.00 C ATOM 480 C THR A 37 2.807 12.455 -7.195 1.00 0.00 C ATOM 481 O THR A 37 1.584 12.558 -7.289 1.00 0.00 O ATOM 482 CB THR A 37 3.686 12.929 -4.909 1.00 0.00 C ATOM 483 OG1 THR A 37 2.370 12.653 -4.419 1.00 0.00 O ATOM 484 CG2 THR A 37 4.364 13.950 -4.007 1.00 0.00 C ATOM 0 H THR A 37 2.194 14.901 -5.852 1.00 0.00 H new ATOM 0 HA THR A 37 4.622 13.518 -6.763 1.00 0.00 H new ATOM 0 HB THR A 37 4.276 12.012 -4.902 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.426 12.325 -3.497 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.405 13.565 -2.988 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.376 14.136 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.797 14.881 -4.021 1.00 0.00 H new ATOM 492 N TYR A 38 3.501 11.498 -7.802 1.00 0.00 N ATOM 493 CA TYR A 38 2.850 10.492 -8.632 1.00 0.00 C ATOM 494 C TYR A 38 3.215 9.085 -8.170 1.00 0.00 C ATOM 495 O TYR A 38 2.348 8.300 -7.785 1.00 0.00 O ATOM 496 CB TYR A 38 3.245 10.678 -10.098 1.00 0.00 C ATOM 497 CG TYR A 38 2.456 11.755 -10.806 1.00 0.00 C ATOM 498 CD1 TYR A 38 2.736 13.100 -10.597 1.00 0.00 C ATOM 499 CD2 TYR A 38 1.431 11.429 -11.686 1.00 0.00 C ATOM 500 CE1 TYR A 38 2.017 14.088 -11.241 1.00 0.00 C ATOM 501 CE2 TYR A 38 0.708 12.410 -12.336 1.00 0.00 C ATOM 502 CZ TYR A 38 1.004 13.738 -12.110 1.00 0.00 C ATOM 503 OH TYR A 38 0.286 14.720 -12.754 1.00 0.00 O ATOM 0 H TYR A 38 4.514 11.398 -7.735 1.00 0.00 H new ATOM 0 HA TYR A 38 1.772 10.618 -8.534 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.306 10.922 -10.151 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.108 9.734 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.530 13.378 -9.919 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.196 10.390 -11.865 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.246 15.129 -11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.085 12.139 -13.017 1.00 0.00 H new ATOM 0 HH TYR A 38 -0.390 14.306 -13.331 1.00 0.00 H new ATOM 513 N CYS A 39 4.506 8.772 -8.210 1.00 0.00 N ATOM 514 CA CYS A 39 4.989 7.461 -7.795 1.00 0.00 C ATOM 515 C CYS A 39 4.223 6.960 -6.574 1.00 0.00 C ATOM 516 O CYS A 39 3.630 7.746 -5.834 1.00 0.00 O ATOM 517 CB CYS A 39 6.486 7.521 -7.482 1.00 0.00 C ATOM 518 SG CYS A 39 7.235 5.900 -7.120 1.00 0.00 S ATOM 0 H CYS A 39 5.237 9.409 -8.526 1.00 0.00 H new ATOM 0 HA CYS A 39 4.824 6.764 -8.617 1.00 0.00 H new ATOM 0 HB2 CYS A 39 7.006 7.969 -8.329 1.00 0.00 H new ATOM 0 HB3 CYS A 39 6.642 8.180 -6.628 1.00 0.00 H new ATOM 523 N LEU A 40 4.240 5.647 -6.370 1.00 0.00 N ATOM 524 CA LEU A 40 3.547 5.040 -5.239 1.00 0.00 C ATOM 525 C LEU A 40 4.019 5.646 -3.922 1.00 0.00 C ATOM 526 O LEU A 40 3.219 5.906 -3.023 1.00 0.00 O ATOM 527 CB LEU A 40 3.775 3.527 -5.228 1.00 0.00 C ATOM 528 CG LEU A 40 4.065 2.882 -6.584 1.00 0.00 C ATOM 529 CD1 LEU A 40 5.564 2.734 -6.795 1.00 0.00 C ATOM 530 CD2 LEU A 40 3.372 1.532 -6.691 1.00 0.00 C ATOM 0 H LEU A 40 4.726 4.983 -6.973 1.00 0.00 H new ATOM 0 HA LEU A 40 2.481 5.240 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.608 3.310 -4.559 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.892 3.050 -4.802 1.00 0.00 H new ATOM 0 HG LEU A 40 3.672 3.532 -7.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.751 2.273 -7.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.035 3.717 -6.763 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.982 2.106 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.589 1.087 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.734 0.874 -5.901 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.295 1.666 -6.586 1.00 0.00 H new ATOM 542 N CYS A 41 5.324 5.872 -3.815 1.00 0.00 N ATOM 543 CA CYS A 41 5.905 6.450 -2.609 1.00 0.00 C ATOM 544 C CYS A 41 5.340 7.843 -2.347 1.00 0.00 C ATOM 545 O CYS A 41 5.539 8.415 -1.275 1.00 0.00 O ATOM 546 CB CYS A 41 7.428 6.519 -2.733 1.00 0.00 C ATOM 547 SG CYS A 41 8.018 7.690 -3.998 1.00 0.00 S ATOM 0 H CYS A 41 6.000 5.663 -4.550 1.00 0.00 H new ATOM 0 HA CYS A 41 5.646 5.808 -1.767 1.00 0.00 H new ATOM 0 HB2 CYS A 41 7.848 6.801 -1.768 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.808 5.525 -2.968 1.00 0.00 H new ATOM 552 N HIS A 42 4.635 8.385 -3.335 1.00 0.00 N ATOM 553 CA HIS A 42 4.041 9.712 -3.213 1.00 0.00 C ATOM 554 C HIS A 42 5.120 10.777 -3.047 1.00 0.00 C ATOM 555 O HIS A 42 5.087 11.565 -2.103 1.00 0.00 O ATOM 556 CB HIS A 42 3.079 9.755 -2.025 1.00 0.00 C ATOM 557 CG HIS A 42 1.841 8.937 -2.227 1.00 0.00 C ATOM 558 ND1 HIS A 42 1.403 7.997 -1.318 1.00 0.00 N ATOM 559 CD2 HIS A 42 0.945 8.923 -3.242 1.00 0.00 C ATOM 560 CE1 HIS A 42 0.292 7.439 -1.766 1.00 0.00 C ATOM 561 NE2 HIS A 42 -0.008 7.984 -2.931 1.00 0.00 N ATOM 0 H HIS A 42 4.461 7.926 -4.229 1.00 0.00 H new ATOM 0 HA HIS A 42 3.487 9.921 -4.128 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.598 9.400 -1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.794 10.790 -1.836 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.974 9.536 -4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.274 6.668 -1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -0.816 7.746 -3.506 1.00 0.00 H new ATOM 570 N GLN A 43 6.076 10.793 -3.971 1.00 0.00 N ATOM 571 CA GLN A 43 7.165 11.761 -3.926 1.00 0.00 C ATOM 572 C GLN A 43 7.111 12.698 -5.128 1.00 0.00 C ATOM 573 O GLN A 43 6.496 12.383 -6.147 1.00 0.00 O ATOM 574 CB GLN A 43 8.514 11.041 -3.885 1.00 0.00 C ATOM 575 CG GLN A 43 8.904 10.558 -2.498 1.00 0.00 C ATOM 576 CD GLN A 43 10.401 10.374 -2.343 1.00 0.00 C ATOM 577 OE1 GLN A 43 11.014 9.566 -3.042 1.00 0.00 O ATOM 578 NE2 GLN A 43 10.998 11.124 -1.425 1.00 0.00 N ATOM 0 H GLN A 43 6.118 10.147 -4.759 1.00 0.00 H new ATOM 0 HA GLN A 43 7.051 12.356 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.481 10.187 -4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.287 11.714 -4.257 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.551 11.274 -1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.402 9.612 -2.292 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.451 11.781 -0.868 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.004 11.044 -1.276 1.00 0.00 H new ATOM 587 N VAL A 44 7.760 13.852 -5.003 1.00 0.00 N ATOM 588 CA VAL A 44 7.787 14.835 -6.079 1.00 0.00 C ATOM 589 C VAL A 44 8.430 14.257 -7.335 1.00 0.00 C ATOM 590 O VAL A 44 9.593 13.855 -7.321 1.00 0.00 O ATOM 591 CB VAL A 44 8.553 16.104 -5.662 1.00 0.00 C ATOM 592 CG1 VAL A 44 7.842 16.804 -4.514 1.00 0.00 C ATOM 593 CG2 VAL A 44 9.986 15.760 -5.281 1.00 0.00 C ATOM 0 H VAL A 44 8.274 14.129 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 44 6.751 15.099 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 44 8.580 16.786 -6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.398 17.698 -4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.836 17.085 -4.826 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.782 16.131 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.513 16.668 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 44 9.982 15.059 -4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.490 15.306 -6.134 1.00 0.00 H new ATOM 603 N SER A 45 7.664 14.218 -8.421 1.00 0.00 N ATOM 604 CA SER A 45 8.158 13.686 -9.686 1.00 0.00 C ATOM 605 C SER A 45 9.388 14.456 -10.156 1.00 0.00 C ATOM 606 O SER A 45 9.298 15.629 -10.520 1.00 0.00 O ATOM 607 CB SER A 45 7.063 13.751 -10.753 1.00 0.00 C ATOM 608 OG SER A 45 6.835 15.086 -11.169 1.00 0.00 O ATOM 0 H SER A 45 6.699 14.548 -8.450 1.00 0.00 H new ATOM 0 HA SER A 45 8.441 12.645 -9.528 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.351 13.143 -11.611 1.00 0.00 H new ATOM 0 HB3 SER A 45 6.140 13.327 -10.357 1.00 0.00 H new ATOM 0 HG SER A 45 7.618 15.634 -10.953 1.00 0.00 H new ATOM 614 N TYR A 46 10.536 13.788 -10.146 1.00 0.00 N ATOM 615 CA TYR A 46 11.785 14.409 -10.569 1.00 0.00 C ATOM 616 C TYR A 46 11.943 14.339 -12.085 1.00 0.00 C ATOM 617 O TYR A 46 11.950 15.363 -12.767 1.00 0.00 O ATOM 618 CB TYR A 46 12.974 13.726 -9.890 1.00 0.00 C ATOM 619 CG TYR A 46 12.613 13.025 -8.599 1.00 0.00 C ATOM 620 CD1 TYR A 46 12.397 13.746 -7.431 1.00 0.00 C ATOM 621 CD2 TYR A 46 12.487 11.642 -8.549 1.00 0.00 C ATOM 622 CE1 TYR A 46 12.069 13.109 -6.250 1.00 0.00 C ATOM 623 CE2 TYR A 46 12.157 10.998 -7.372 1.00 0.00 C ATOM 624 CZ TYR A 46 11.949 11.736 -6.225 1.00 0.00 C ATOM 625 OH TYR A 46 11.621 11.098 -5.051 1.00 0.00 O ATOM 0 H TYR A 46 10.627 12.816 -9.850 1.00 0.00 H new ATOM 0 HA TYR A 46 11.758 15.458 -10.273 1.00 0.00 H new ATOM 0 HB2 TYR A 46 13.408 13.001 -10.579 1.00 0.00 H new ATOM 0 HB3 TYR A 46 13.743 14.471 -9.686 1.00 0.00 H new ATOM 0 HD1 TYR A 46 12.487 14.822 -7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 46 12.650 11.061 -9.445 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.907 13.684 -5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 46 12.062 9.922 -7.350 1.00 0.00 H new ATOM 0 HH TYR A 46 11.544 10.134 -5.213 1.00 0.00 H new ATOM 635 N GLY A 47 12.068 13.122 -12.605 1.00 0.00 N ATOM 636 CA GLY A 47 12.223 12.939 -14.036 1.00 0.00 C ATOM 637 C GLY A 47 12.554 11.507 -14.406 1.00 0.00 C ATOM 638 O GLY A 47 12.289 11.072 -15.526 1.00 0.00 O ATOM 0 H GLY A 47 12.065 12.259 -12.061 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.303 13.237 -14.539 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.013 13.597 -14.400 1.00 0.00 H new ATOM 642 N GLU A 48 13.136 10.773 -13.462 1.00 0.00 N ATOM 643 CA GLU A 48 13.505 9.382 -13.696 1.00 0.00 C ATOM 644 C GLU A 48 12.277 8.478 -13.652 1.00 0.00 C ATOM 645 O GLU A 48 12.201 7.557 -12.840 1.00 0.00 O ATOM 646 CB GLU A 48 14.529 8.922 -12.656 1.00 0.00 C ATOM 647 CG GLU A 48 15.969 9.197 -13.057 1.00 0.00 C ATOM 648 CD GLU A 48 16.968 8.486 -12.165 1.00 0.00 C ATOM 649 OE1 GLU A 48 16.852 8.611 -10.927 1.00 0.00 O ATOM 650 OE2 GLU A 48 17.866 7.805 -12.703 1.00 0.00 O ATOM 0 H GLU A 48 13.362 11.118 -12.529 1.00 0.00 H new ATOM 0 HA GLU A 48 13.949 9.312 -14.689 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.323 9.421 -11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.406 7.852 -12.486 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.121 8.883 -14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.154 10.271 -13.020 1.00 0.00 H new ATOM 657 N MET A 49 11.318 8.750 -14.530 1.00 0.00 N ATOM 658 CA MET A 49 10.093 7.961 -14.592 1.00 0.00 C ATOM 659 C MET A 49 9.984 7.229 -15.926 1.00 0.00 C ATOM 660 O MET A 49 10.711 7.533 -16.872 1.00 0.00 O ATOM 661 CB MET A 49 8.871 8.859 -14.389 1.00 0.00 C ATOM 662 CG MET A 49 9.002 9.805 -13.206 1.00 0.00 C ATOM 663 SD MET A 49 7.437 10.581 -12.761 1.00 0.00 S ATOM 664 CE MET A 49 6.877 9.490 -11.456 1.00 0.00 C ATOM 0 H MET A 49 11.365 9.510 -15.208 1.00 0.00 H new ATOM 0 HA MET A 49 10.128 7.220 -13.793 1.00 0.00 H new ATOM 0 HB2 MET A 49 8.705 9.443 -15.294 1.00 0.00 H new ATOM 0 HB3 MET A 49 7.990 8.233 -14.248 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.388 9.255 -12.347 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.732 10.579 -13.444 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.892 9.808 -11.113 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.817 8.470 -11.835 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.580 9.527 -10.624 1.00 0.00 H new ATOM 674 N ILE A 50 9.073 6.265 -15.995 1.00 0.00 N ATOM 675 CA ILE A 50 8.870 5.491 -17.213 1.00 0.00 C ATOM 676 C ILE A 50 7.418 5.562 -17.674 1.00 0.00 C ATOM 677 O ILE A 50 7.131 5.500 -18.868 1.00 0.00 O ATOM 678 CB ILE A 50 9.263 4.015 -17.015 1.00 0.00 C ATOM 679 CG1 ILE A 50 8.115 3.243 -16.361 1.00 0.00 C ATOM 680 CG2 ILE A 50 10.526 3.911 -16.174 1.00 0.00 C ATOM 681 CD1 ILE A 50 8.028 3.444 -14.864 1.00 0.00 C ATOM 0 H ILE A 50 8.463 6.001 -15.221 1.00 0.00 H new ATOM 0 HA ILE A 50 9.513 5.930 -17.976 1.00 0.00 H new ATOM 0 HB ILE A 50 9.464 3.573 -17.991 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.174 3.552 -16.816 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.237 2.180 -16.570 1.00 0.00 H new ATOM 0 HG21 ILE A 50 10.791 2.862 -16.043 1.00 0.00 H new ATOM 0 HG22 ILE A 50 11.342 4.431 -16.677 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.352 4.366 -15.199 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.192 2.868 -14.467 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.954 3.108 -14.397 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.875 4.501 -14.647 1.00 0.00 H new ATOM 693 N GLY A 51 6.505 5.694 -16.716 1.00 0.00 N ATOM 694 CA GLY A 51 5.093 5.773 -17.043 1.00 0.00 C ATOM 695 C GLY A 51 4.514 4.430 -17.441 1.00 0.00 C ATOM 696 O GLY A 51 5.083 3.722 -18.273 1.00 0.00 O ATOM 0 H GLY A 51 6.718 5.748 -15.720 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.545 6.161 -16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.951 6.482 -17.858 1.00 0.00 H new ATOM 700 N CYS A 52 3.380 4.076 -16.845 1.00 0.00 N ATOM 701 CA CYS A 52 2.724 2.808 -17.140 1.00 0.00 C ATOM 702 C CYS A 52 2.046 2.851 -18.506 1.00 0.00 C ATOM 703 O CYS A 52 1.344 3.808 -18.832 1.00 0.00 O ATOM 704 CB CYS A 52 1.694 2.479 -16.057 1.00 0.00 C ATOM 705 SG CYS A 52 1.091 0.761 -16.103 1.00 0.00 S ATOM 0 H CYS A 52 2.896 4.650 -16.154 1.00 0.00 H new ATOM 0 HA CYS A 52 3.486 2.029 -17.157 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.136 2.672 -15.079 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.845 3.154 -16.161 1.00 0.00 H new ATOM 710 N ASP A 53 2.261 1.808 -19.300 1.00 0.00 N ATOM 711 CA ASP A 53 1.670 1.725 -20.631 1.00 0.00 C ATOM 712 C ASP A 53 0.151 1.608 -20.544 1.00 0.00 C ATOM 713 O ASP A 53 -0.567 2.068 -21.430 1.00 0.00 O ATOM 714 CB ASP A 53 2.243 0.529 -21.393 1.00 0.00 C ATOM 715 CG ASP A 53 1.817 0.512 -22.848 1.00 0.00 C ATOM 716 OD1 ASP A 53 0.659 0.133 -23.122 1.00 0.00 O ATOM 717 OD2 ASP A 53 2.641 0.877 -23.712 1.00 0.00 O ATOM 0 H ASP A 53 2.840 1.008 -19.045 1.00 0.00 H new ATOM 0 HA ASP A 53 1.916 2.640 -21.169 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.331 0.553 -21.336 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.919 -0.394 -20.912 1.00 0.00 H new ATOM 722 N ASN A 54 -0.329 0.989 -19.471 1.00 0.00 N ATOM 723 CA ASN A 54 -1.763 0.810 -19.270 1.00 0.00 C ATOM 724 C ASN A 54 -2.472 2.158 -19.180 1.00 0.00 C ATOM 725 O ASN A 54 -2.212 2.966 -18.287 1.00 0.00 O ATOM 726 CB ASN A 54 -2.023 -0.002 -17.999 1.00 0.00 C ATOM 727 CG ASN A 54 -3.447 -0.519 -17.925 1.00 0.00 C ATOM 728 OD1 ASN A 54 -4.021 -0.933 -18.932 1.00 0.00 O ATOM 729 ND2 ASN A 54 -4.023 -0.497 -16.729 1.00 0.00 N ATOM 0 H ASN A 54 0.253 0.603 -18.727 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.160 0.267 -20.128 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.331 -0.844 -17.961 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.819 0.618 -17.126 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.980 -0.832 -16.618 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.509 -0.145 -15.922 1.00 0.00 H new ATOM 736 N PRO A 55 -3.390 2.408 -20.125 1.00 0.00 N ATOM 737 CA PRO A 55 -4.156 3.657 -20.173 1.00 0.00 C ATOM 738 C PRO A 55 -5.160 3.766 -19.031 1.00 0.00 C ATOM 739 O PRO A 55 -5.635 4.856 -18.710 1.00 0.00 O ATOM 740 CB PRO A 55 -4.883 3.575 -21.518 1.00 0.00 C ATOM 741 CG PRO A 55 -4.987 2.117 -21.804 1.00 0.00 C ATOM 742 CD PRO A 55 -3.751 1.491 -21.219 1.00 0.00 C ATOM 0 HA PRO A 55 -3.515 4.533 -20.072 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -5.868 4.039 -21.465 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.328 4.093 -22.300 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.887 1.695 -21.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.047 1.933 -22.877 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.946 0.484 -20.851 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.953 1.412 -21.957 1.00 0.00 H new ATOM 750 N ASP A 56 -5.479 2.630 -18.419 1.00 0.00 N ATOM 751 CA ASP A 56 -6.426 2.598 -17.311 1.00 0.00 C ATOM 752 C ASP A 56 -5.747 2.999 -16.005 1.00 0.00 C ATOM 753 O ASP A 56 -6.347 3.661 -15.158 1.00 0.00 O ATOM 754 CB ASP A 56 -7.038 1.203 -17.175 1.00 0.00 C ATOM 755 CG ASP A 56 -7.907 1.070 -15.940 1.00 0.00 C ATOM 756 OD1 ASP A 56 -7.351 0.859 -14.842 1.00 0.00 O ATOM 757 OD2 ASP A 56 -9.144 1.178 -16.071 1.00 0.00 O ATOM 0 H ASP A 56 -5.095 1.719 -18.672 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.220 3.315 -17.522 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.634 0.983 -18.061 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.240 0.462 -17.136 1.00 0.00 H new ATOM 762 N CYS A 57 -4.492 2.592 -15.847 1.00 0.00 N ATOM 763 CA CYS A 57 -3.731 2.906 -14.644 1.00 0.00 C ATOM 764 C CYS A 57 -3.931 4.363 -14.239 1.00 0.00 C ATOM 765 O CYS A 57 -3.789 5.271 -15.058 1.00 0.00 O ATOM 766 CB CYS A 57 -2.243 2.628 -14.869 1.00 0.00 C ATOM 767 SG CYS A 57 -1.323 2.226 -13.349 1.00 0.00 S ATOM 0 H CYS A 57 -3.980 2.043 -16.538 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.095 2.269 -13.838 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.141 1.801 -15.572 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.788 3.501 -15.336 1.00 0.00 H new ATOM 772 N SER A 58 -4.262 4.579 -12.969 1.00 0.00 N ATOM 773 CA SER A 58 -4.485 5.925 -12.456 1.00 0.00 C ATOM 774 C SER A 58 -3.163 6.662 -12.269 1.00 0.00 C ATOM 775 O SER A 58 -3.013 7.807 -12.694 1.00 0.00 O ATOM 776 CB SER A 58 -5.242 5.867 -11.127 1.00 0.00 C ATOM 777 OG SER A 58 -5.789 7.132 -10.796 1.00 0.00 O ATOM 0 H SER A 58 -4.381 3.839 -12.277 1.00 0.00 H new ATOM 0 HA SER A 58 -5.084 6.470 -13.185 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.040 5.128 -11.192 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.568 5.540 -10.335 1.00 0.00 H new ATOM 0 HG SER A 58 -6.269 7.068 -9.944 1.00 0.00 H new ATOM 783 N ILE A 59 -2.207 5.995 -11.630 1.00 0.00 N ATOM 784 CA ILE A 59 -0.896 6.586 -11.387 1.00 0.00 C ATOM 785 C ILE A 59 -0.074 6.645 -12.670 1.00 0.00 C ATOM 786 O ILE A 59 0.353 7.717 -13.095 1.00 0.00 O ATOM 787 CB ILE A 59 -0.111 5.795 -10.324 1.00 0.00 C ATOM 788 CG1 ILE A 59 -0.939 5.659 -9.044 1.00 0.00 C ATOM 789 CG2 ILE A 59 1.217 6.477 -10.031 1.00 0.00 C ATOM 790 CD1 ILE A 59 -0.378 4.651 -8.066 1.00 0.00 C ATOM 0 H ILE A 59 -2.315 5.046 -11.272 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.068 7.598 -11.022 1.00 0.00 H new ATOM 0 HB ILE A 59 0.092 4.797 -10.711 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.001 6.632 -8.556 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.956 5.370 -9.308 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.761 5.907 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.809 6.528 -10.945 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.034 7.486 -9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.015 4.607 -7.183 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.342 3.668 -8.537 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.628 4.950 -7.773 1.00 0.00 H new ATOM 802 N GLU A 60 0.142 5.485 -13.282 1.00 0.00 N ATOM 803 CA GLU A 60 0.912 5.405 -14.518 1.00 0.00 C ATOM 804 C GLU A 60 2.159 6.281 -14.438 1.00 0.00 C ATOM 805 O GLU A 60 2.533 6.937 -15.411 1.00 0.00 O ATOM 806 CB GLU A 60 0.052 5.831 -15.710 1.00 0.00 C ATOM 807 CG GLU A 60 -0.288 7.312 -15.717 1.00 0.00 C ATOM 808 CD GLU A 60 -0.550 7.843 -17.113 1.00 0.00 C ATOM 809 OE1 GLU A 60 0.222 7.502 -18.033 1.00 0.00 O ATOM 810 OE2 GLU A 60 -1.528 8.601 -17.285 1.00 0.00 O ATOM 0 H GLU A 60 -0.205 4.588 -12.942 1.00 0.00 H new ATOM 0 HA GLU A 60 1.223 4.370 -14.656 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.577 5.583 -16.633 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.873 5.254 -15.704 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.168 7.482 -15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.532 7.872 -15.267 1.00 0.00 H new ATOM 817 N TRP A 61 2.798 6.287 -13.274 1.00 0.00 N ATOM 818 CA TRP A 61 4.002 7.082 -13.066 1.00 0.00 C ATOM 819 C TRP A 61 4.759 6.613 -11.829 1.00 0.00 C ATOM 820 O TRP A 61 4.191 6.520 -10.740 1.00 0.00 O ATOM 821 CB TRP A 61 3.643 8.563 -12.929 1.00 0.00 C ATOM 822 CG TRP A 61 3.296 9.214 -14.233 1.00 0.00 C ATOM 823 CD1 TRP A 61 2.063 9.645 -14.632 1.00 0.00 C ATOM 824 CD2 TRP A 61 4.193 9.505 -15.311 1.00 0.00 C ATOM 825 NE1 TRP A 61 2.139 10.187 -15.892 1.00 0.00 N ATOM 826 CE2 TRP A 61 3.435 10.114 -16.331 1.00 0.00 C ATOM 827 CE3 TRP A 61 5.562 9.313 -15.514 1.00 0.00 C ATOM 828 CZ2 TRP A 61 4.002 10.529 -17.532 1.00 0.00 C ATOM 829 CZ3 TRP A 61 6.123 9.725 -16.707 1.00 0.00 C ATOM 830 CH2 TRP A 61 5.344 10.328 -17.704 1.00 0.00 C ATOM 0 H TRP A 61 2.502 5.750 -12.459 1.00 0.00 H new ATOM 0 HA TRP A 61 4.648 6.950 -13.934 1.00 0.00 H new ATOM 0 HB2 TRP A 61 2.800 8.663 -12.246 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.483 9.093 -12.479 1.00 0.00 H new ATOM 0 HD1 TRP A 61 1.161 9.571 -14.043 1.00 0.00 H new ATOM 0 HE1 TRP A 61 1.357 10.580 -16.416 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.171 8.850 -14.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 3.403 10.994 -18.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.180 9.580 -16.874 1.00 0.00 H new ATOM 0 HH2 TRP A 61 5.812 10.640 -18.626 1.00 0.00 H new ATOM 841 N PHE A 62 6.043 6.317 -12.002 1.00 0.00 N ATOM 842 CA PHE A 62 6.876 5.856 -10.898 1.00 0.00 C ATOM 843 C PHE A 62 8.350 6.135 -11.176 1.00 0.00 C ATOM 844 O PHE A 62 8.725 6.501 -12.290 1.00 0.00 O ATOM 845 CB PHE A 62 6.665 4.359 -10.662 1.00 0.00 C ATOM 846 CG PHE A 62 5.231 3.929 -10.786 1.00 0.00 C ATOM 847 CD1 PHE A 62 4.360 4.058 -9.717 1.00 0.00 C ATOM 848 CD2 PHE A 62 4.755 3.397 -11.973 1.00 0.00 C ATOM 849 CE1 PHE A 62 3.040 3.662 -9.829 1.00 0.00 C ATOM 850 CE2 PHE A 62 3.436 3.000 -12.091 1.00 0.00 C ATOM 851 CZ PHE A 62 2.577 3.134 -11.018 1.00 0.00 C ATOM 0 H PHE A 62 6.529 6.388 -12.896 1.00 0.00 H new ATOM 0 HA PHE A 62 6.583 6.403 -10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.267 3.798 -11.377 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.029 4.101 -9.667 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.716 4.473 -8.785 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.422 3.291 -12.816 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.371 3.766 -8.987 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.078 2.585 -13.022 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.546 2.827 -11.109 1.00 0.00 H new ATOM 861 N HIS A 63 9.183 5.961 -10.154 1.00 0.00 N ATOM 862 CA HIS A 63 10.616 6.194 -10.288 1.00 0.00 C ATOM 863 C HIS A 63 11.353 4.892 -10.588 1.00 0.00 C ATOM 864 O HIS A 63 10.748 3.820 -10.630 1.00 0.00 O ATOM 865 CB HIS A 63 11.173 6.825 -9.011 1.00 0.00 C ATOM 866 CG HIS A 63 10.472 8.087 -8.612 1.00 0.00 C ATOM 867 ND1 HIS A 63 9.899 8.270 -7.372 1.00 0.00 N ATOM 868 CD2 HIS A 63 10.255 9.234 -9.298 1.00 0.00 C ATOM 869 CE1 HIS A 63 9.358 9.474 -7.312 1.00 0.00 C ATOM 870 NE2 HIS A 63 9.561 10.080 -8.468 1.00 0.00 N ATOM 0 H HIS A 63 8.890 5.660 -9.225 1.00 0.00 H new ATOM 0 HA HIS A 63 10.771 6.879 -11.121 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.098 6.104 -8.197 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.233 7.037 -9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.569 9.444 -10.310 1.00 0.00 H new ATOM 0 HE1 HIS A 63 8.838 9.892 -6.462 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.253 11.023 -8.706 1.00 0.00 H new ATOM 878 N PHE A 64 12.661 4.992 -10.798 1.00 0.00 N ATOM 879 CA PHE A 64 13.480 3.823 -11.097 1.00 0.00 C ATOM 880 C PHE A 64 13.999 3.181 -9.814 1.00 0.00 C ATOM 881 O PHE A 64 14.048 1.957 -9.696 1.00 0.00 O ATOM 882 CB PHE A 64 14.654 4.213 -11.998 1.00 0.00 C ATOM 883 CG PHE A 64 14.245 5.006 -13.206 1.00 0.00 C ATOM 884 CD1 PHE A 64 12.923 5.031 -13.620 1.00 0.00 C ATOM 885 CD2 PHE A 64 15.183 5.727 -13.927 1.00 0.00 C ATOM 886 CE1 PHE A 64 12.544 5.760 -14.731 1.00 0.00 C ATOM 887 CE2 PHE A 64 14.809 6.458 -15.039 1.00 0.00 C ATOM 888 CZ PHE A 64 13.488 6.474 -15.442 1.00 0.00 C ATOM 0 H PHE A 64 13.177 5.871 -10.767 1.00 0.00 H new ATOM 0 HA PHE A 64 12.857 3.097 -11.619 1.00 0.00 H new ATOM 0 HB2 PHE A 64 15.370 4.794 -11.417 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.168 3.309 -12.324 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.180 4.474 -13.068 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.217 5.718 -13.617 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.510 5.771 -15.043 1.00 0.00 H new ATOM 0 HE2 PHE A 64 15.549 7.016 -15.592 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.194 7.044 -16.311 1.00 0.00 H new ATOM 898 N ALA A 65 14.387 4.016 -8.856 1.00 0.00 N ATOM 899 CA ALA A 65 14.902 3.531 -7.582 1.00 0.00 C ATOM 900 C ALA A 65 13.766 3.101 -6.659 1.00 0.00 C ATOM 901 O ALA A 65 13.955 2.959 -5.451 1.00 0.00 O ATOM 902 CB ALA A 65 15.750 4.603 -6.913 1.00 0.00 C ATOM 0 H ALA A 65 14.354 5.032 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 65 15.526 2.659 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.128 4.227 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.588 4.861 -7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.142 5.490 -6.736 1.00 0.00 H new ATOM 908 N CYS A 66 12.587 2.896 -7.236 1.00 0.00 N ATOM 909 CA CYS A 66 11.420 2.483 -6.466 1.00 0.00 C ATOM 910 C CYS A 66 10.917 1.119 -6.930 1.00 0.00 C ATOM 911 O CYS A 66 10.300 0.379 -6.164 1.00 0.00 O ATOM 912 CB CYS A 66 10.304 3.522 -6.595 1.00 0.00 C ATOM 913 SG CYS A 66 10.369 4.843 -5.343 1.00 0.00 S ATOM 0 H CYS A 66 12.414 3.009 -8.235 1.00 0.00 H new ATOM 0 HA CYS A 66 11.715 2.405 -5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 66 10.355 3.973 -7.586 1.00 0.00 H new ATOM 0 HB3 CYS A 66 9.341 3.016 -6.524 1.00 0.00 H new ATOM 918 N VAL A 67 11.185 0.794 -8.191 1.00 0.00 N ATOM 919 CA VAL A 67 10.761 -0.481 -8.758 1.00 0.00 C ATOM 920 C VAL A 67 11.937 -1.224 -9.380 1.00 0.00 C ATOM 921 O VAL A 67 11.959 -2.454 -9.418 1.00 0.00 O ATOM 922 CB VAL A 67 9.669 -0.285 -9.826 1.00 0.00 C ATOM 923 CG1 VAL A 67 8.424 0.334 -9.210 1.00 0.00 C ATOM 924 CG2 VAL A 67 10.190 0.572 -10.970 1.00 0.00 C ATOM 0 H VAL A 67 11.693 1.396 -8.839 1.00 0.00 H new ATOM 0 HA VAL A 67 10.354 -1.072 -7.938 1.00 0.00 H new ATOM 0 HB VAL A 67 9.399 -1.262 -10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.664 0.465 -9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.040 -0.322 -8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.675 1.303 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.405 0.700 -11.715 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.489 1.548 -10.587 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.050 0.083 -11.429 1.00 0.00 H new ATOM 934 N GLY A 68 12.917 -0.468 -9.867 1.00 0.00 N ATOM 935 CA GLY A 68 14.085 -1.073 -10.481 1.00 0.00 C ATOM 936 C GLY A 68 14.119 -0.873 -11.983 1.00 0.00 C ATOM 937 O GLY A 68 13.919 -1.818 -12.748 1.00 0.00 O ATOM 0 H GLY A 68 12.923 0.552 -9.847 1.00 0.00 H new ATOM 0 HA2 GLY A 68 14.986 -0.646 -10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 68 14.097 -2.140 -10.259 1.00 0.00 H new ATOM 941 N LEU A 69 14.371 0.360 -12.409 1.00 0.00 N ATOM 942 CA LEU A 69 14.428 0.682 -13.831 1.00 0.00 C ATOM 943 C LEU A 69 15.638 1.557 -14.142 1.00 0.00 C ATOM 944 O LEU A 69 15.502 2.753 -14.404 1.00 0.00 O ATOM 945 CB LEU A 69 13.145 1.392 -14.266 1.00 0.00 C ATOM 946 CG LEU A 69 11.886 0.526 -14.325 1.00 0.00 C ATOM 947 CD1 LEU A 69 10.652 1.355 -14.003 1.00 0.00 C ATOM 948 CD2 LEU A 69 11.751 -0.126 -15.693 1.00 0.00 C ATOM 0 H LEU A 69 14.539 1.153 -11.790 1.00 0.00 H new ATOM 0 HA LEU A 69 14.525 -0.251 -14.386 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.961 2.219 -13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.310 1.826 -15.252 1.00 0.00 H new ATOM 0 HG LEU A 69 11.974 -0.261 -13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.766 0.722 -14.050 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.746 1.774 -13.001 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.558 2.164 -14.727 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.850 -0.738 -15.717 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.685 0.646 -16.459 1.00 0.00 H new ATOM 0 HD23 LEU A 69 12.621 -0.754 -15.884 1.00 0.00 H new ATOM 960 N THR A 70 16.822 0.954 -14.114 1.00 0.00 N ATOM 961 CA THR A 70 18.056 1.677 -14.394 1.00 0.00 C ATOM 962 C THR A 70 17.801 2.860 -15.322 1.00 0.00 C ATOM 963 O THR A 70 18.073 4.008 -14.971 1.00 0.00 O ATOM 964 CB THR A 70 19.114 0.758 -15.032 1.00 0.00 C ATOM 965 OG1 THR A 70 19.379 -0.355 -14.170 1.00 0.00 O ATOM 966 CG2 THR A 70 20.405 1.519 -15.296 1.00 0.00 C ATOM 0 H THR A 70 16.952 -0.035 -13.900 1.00 0.00 H new ATOM 0 HA THR A 70 18.432 2.042 -13.438 1.00 0.00 H new ATOM 0 HB THR A 70 18.723 0.397 -15.983 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.051 -0.936 -14.583 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.137 0.849 -15.747 1.00 0.00 H new ATOM 0 HG22 THR A 70 20.206 2.348 -15.975 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.798 1.906 -14.356 1.00 0.00 H new ATOM 974 N THR A 71 17.277 2.572 -16.510 1.00 0.00 N ATOM 975 CA THR A 71 16.986 3.611 -17.489 1.00 0.00 C ATOM 976 C THR A 71 15.604 3.417 -18.103 1.00 0.00 C ATOM 977 O THR A 71 15.076 2.305 -18.130 1.00 0.00 O ATOM 978 CB THR A 71 18.037 3.632 -18.615 1.00 0.00 C ATOM 979 OG1 THR A 71 18.085 2.357 -19.264 1.00 0.00 O ATOM 980 CG2 THR A 71 19.412 3.979 -18.065 1.00 0.00 C ATOM 0 H THR A 71 17.046 1.627 -16.817 1.00 0.00 H new ATOM 0 HA THR A 71 17.014 4.562 -16.958 1.00 0.00 H new ATOM 0 HB THR A 71 17.749 4.396 -19.337 1.00 0.00 H new ATOM 0 HG1 THR A 71 18.754 2.379 -19.980 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.138 3.988 -18.878 1.00 0.00 H new ATOM 0 HG22 THR A 71 19.379 4.963 -17.597 1.00 0.00 H new ATOM 0 HG23 THR A 71 19.706 3.235 -17.325 1.00 0.00 H new ATOM 988 N LYS A 72 15.023 4.505 -18.597 1.00 0.00 N ATOM 989 CA LYS A 72 13.702 4.454 -19.213 1.00 0.00 C ATOM 990 C LYS A 72 13.647 3.380 -20.294 1.00 0.00 C ATOM 991 O LYS A 72 14.237 3.514 -21.366 1.00 0.00 O ATOM 992 CB LYS A 72 13.345 5.816 -19.813 1.00 0.00 C ATOM 993 CG LYS A 72 11.851 6.088 -19.856 1.00 0.00 C ATOM 994 CD LYS A 72 11.555 7.497 -20.342 1.00 0.00 C ATOM 995 CE LYS A 72 10.063 7.790 -20.328 1.00 0.00 C ATOM 996 NZ LYS A 72 9.405 7.382 -21.600 1.00 0.00 N ATOM 0 H LYS A 72 15.446 5.433 -18.583 1.00 0.00 H new ATOM 0 HA LYS A 72 12.976 4.203 -18.439 1.00 0.00 H new ATOM 0 HB2 LYS A 72 13.832 6.599 -19.232 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.746 5.874 -20.825 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.368 5.366 -20.514 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.426 5.948 -18.862 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.074 8.217 -19.710 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.942 7.623 -21.353 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.598 7.265 -19.494 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.904 8.856 -20.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.389 7.598 -21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.831 7.902 -22.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.535 6.360 -21.746 1.00 0.00 H new ATOM 1010 N PRO A 73 12.920 2.289 -20.010 1.00 0.00 N ATOM 1011 CA PRO A 73 12.769 1.172 -20.947 1.00 0.00 C ATOM 1012 C PRO A 73 11.920 1.542 -22.158 1.00 0.00 C ATOM 1013 O PRO A 73 12.120 1.015 -23.252 1.00 0.00 O ATOM 1014 CB PRO A 73 12.068 0.099 -20.109 1.00 0.00 C ATOM 1015 CG PRO A 73 11.342 0.858 -19.053 1.00 0.00 C ATOM 1016 CD PRO A 73 12.190 2.063 -18.751 1.00 0.00 C ATOM 0 HA PRO A 73 13.726 0.853 -21.359 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.381 -0.491 -20.716 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.786 -0.596 -19.674 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.351 1.155 -19.397 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.200 0.247 -18.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.581 2.925 -18.479 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.870 1.878 -17.920 1.00 0.00 H new ATOM 1024 N ARG A 74 10.972 2.451 -21.954 1.00 0.00 N ATOM 1025 CA ARG A 74 10.091 2.890 -23.030 1.00 0.00 C ATOM 1026 C ARG A 74 9.792 1.743 -23.990 1.00 0.00 C ATOM 1027 O ARG A 74 9.742 1.934 -25.205 1.00 0.00 O ATOM 1028 CB ARG A 74 10.725 4.056 -23.792 1.00 0.00 C ATOM 1029 CG ARG A 74 12.015 3.687 -24.506 1.00 0.00 C ATOM 1030 CD ARG A 74 12.741 4.921 -25.018 1.00 0.00 C ATOM 1031 NE ARG A 74 11.983 5.609 -26.060 1.00 0.00 N ATOM 1032 CZ ARG A 74 12.538 6.399 -26.972 1.00 0.00 C ATOM 1033 NH1 ARG A 74 13.849 6.599 -26.971 1.00 0.00 N ATOM 1034 NH2 ARG A 74 11.782 6.990 -27.889 1.00 0.00 N ATOM 0 H ARG A 74 10.794 2.898 -21.054 1.00 0.00 H new ATOM 0 HA ARG A 74 9.153 3.222 -22.586 1.00 0.00 H new ATOM 0 HB2 ARG A 74 10.010 4.433 -24.523 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.926 4.869 -23.094 1.00 0.00 H new ATOM 0 HG2 ARG A 74 12.665 3.138 -23.825 1.00 0.00 H new ATOM 0 HG3 ARG A 74 11.793 3.022 -25.340 1.00 0.00 H new ATOM 0 HD2 ARG A 74 12.921 5.605 -24.189 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.716 4.631 -25.410 1.00 0.00 H new ATOM 0 HE ARG A 74 10.972 5.475 -26.089 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.434 6.146 -26.269 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.273 7.206 -27.673 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.773 6.838 -27.894 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.210 7.596 -28.589 1.00 0.00 H new ATOM 1048 N GLY A 75 9.593 0.551 -23.436 1.00 0.00 N ATOM 1049 CA GLY A 75 9.302 -0.609 -24.258 1.00 0.00 C ATOM 1050 C GLY A 75 8.151 -1.431 -23.713 1.00 0.00 C ATOM 1051 O GLY A 75 8.300 -2.624 -23.447 1.00 0.00 O ATOM 0 H GLY A 75 9.628 0.368 -22.433 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.064 -0.283 -25.270 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.192 -1.235 -24.326 1.00 0.00 H new ATOM 1055 N LYS A 76 6.998 -0.793 -23.544 1.00 0.00 N ATOM 1056 CA LYS A 76 5.815 -1.472 -23.026 1.00 0.00 C ATOM 1057 C LYS A 76 6.038 -1.933 -21.589 1.00 0.00 C ATOM 1058 O LYS A 76 5.806 -3.096 -21.258 1.00 0.00 O ATOM 1059 CB LYS A 76 5.463 -2.671 -23.909 1.00 0.00 C ATOM 1060 CG LYS A 76 4.464 -2.345 -25.007 1.00 0.00 C ATOM 1061 CD LYS A 76 3.035 -2.573 -24.545 1.00 0.00 C ATOM 1062 CE LYS A 76 2.074 -1.593 -25.202 1.00 0.00 C ATOM 1063 NZ LYS A 76 1.580 -2.097 -26.514 1.00 0.00 N ATOM 0 H LYS A 76 6.857 0.194 -23.758 1.00 0.00 H new ATOM 0 HA LYS A 76 4.986 -0.764 -23.037 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.375 -3.058 -24.363 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.056 -3.466 -23.283 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.587 -1.307 -25.315 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.668 -2.963 -25.881 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.734 -3.594 -24.781 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.980 -2.467 -23.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.227 -1.415 -24.539 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.574 -0.635 -25.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.928 -1.402 -26.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.386 -2.243 -27.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.081 -2.999 -26.374 1.00 0.00 H new ATOM 1077 N TRP A 77 6.487 -1.015 -20.741 1.00 0.00 N ATOM 1078 CA TRP A 77 6.739 -1.328 -19.340 1.00 0.00 C ATOM 1079 C TRP A 77 5.467 -1.184 -18.512 1.00 0.00 C ATOM 1080 O TRP A 77 4.865 -0.111 -18.463 1.00 0.00 O ATOM 1081 CB TRP A 77 7.832 -0.415 -18.780 1.00 0.00 C ATOM 1082 CG TRP A 77 8.192 -0.722 -17.358 1.00 0.00 C ATOM 1083 CD1 TRP A 77 9.214 -1.517 -16.925 1.00 0.00 C ATOM 1084 CD2 TRP A 77 7.530 -0.240 -16.184 1.00 0.00 C ATOM 1085 NE1 TRP A 77 9.227 -1.559 -15.551 1.00 0.00 N ATOM 1086 CE2 TRP A 77 8.205 -0.783 -15.073 1.00 0.00 C ATOM 1087 CE3 TRP A 77 6.434 0.598 -15.962 1.00 0.00 C ATOM 1088 CZ2 TRP A 77 7.818 -0.514 -13.763 1.00 0.00 C ATOM 1089 CZ3 TRP A 77 6.051 0.864 -14.661 1.00 0.00 C ATOM 1090 CH2 TRP A 77 6.742 0.310 -13.575 1.00 0.00 C ATOM 0 H TRP A 77 6.684 -0.048 -20.999 1.00 0.00 H new ATOM 0 HA TRP A 77 7.074 -2.364 -19.280 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.724 -0.505 -19.400 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.500 0.621 -18.848 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.910 -2.036 -17.567 1.00 0.00 H new ATOM 0 HE1 TRP A 77 9.890 -2.083 -14.980 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.896 1.030 -16.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.348 -0.941 -12.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.205 1.510 -14.478 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.419 0.538 -12.570 1.00 0.00 H new ATOM 1101 N PHE A 78 5.062 -2.271 -17.863 1.00 0.00 N ATOM 1102 CA PHE A 78 3.860 -2.265 -17.037 1.00 0.00 C ATOM 1103 C PHE A 78 4.218 -2.277 -15.554 1.00 0.00 C ATOM 1104 O PHE A 78 5.062 -3.058 -15.114 1.00 0.00 O ATOM 1105 CB PHE A 78 2.981 -3.472 -17.371 1.00 0.00 C ATOM 1106 CG PHE A 78 1.957 -3.192 -18.433 1.00 0.00 C ATOM 1107 CD1 PHE A 78 2.341 -2.988 -19.749 1.00 0.00 C ATOM 1108 CD2 PHE A 78 0.609 -3.133 -18.116 1.00 0.00 C ATOM 1109 CE1 PHE A 78 1.401 -2.731 -20.729 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -0.335 -2.876 -19.092 1.00 0.00 C ATOM 1111 CZ PHE A 78 0.061 -2.674 -20.399 1.00 0.00 C ATOM 0 H PHE A 78 5.548 -3.167 -17.893 1.00 0.00 H new ATOM 0 HA PHE A 78 3.307 -1.350 -17.251 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.617 -4.295 -17.698 1.00 0.00 H new ATOM 0 HB3 PHE A 78 2.473 -3.803 -16.465 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.388 -3.030 -20.012 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.293 -3.290 -17.095 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.714 -2.575 -21.751 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.382 -2.833 -18.832 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.676 -2.472 -21.162 1.00 0.00 H new ATOM 1121 N CYS A 79 3.572 -1.405 -14.789 1.00 0.00 N ATOM 1122 CA CYS A 79 3.821 -1.312 -13.355 1.00 0.00 C ATOM 1123 C CYS A 79 3.585 -2.657 -12.674 1.00 0.00 C ATOM 1124 O CYS A 79 2.845 -3.509 -13.167 1.00 0.00 O ATOM 1125 CB CYS A 79 2.922 -0.245 -12.727 1.00 0.00 C ATOM 1126 SG CYS A 79 1.191 -0.768 -12.508 1.00 0.00 S ATOM 0 H CYS A 79 2.871 -0.751 -15.138 1.00 0.00 H new ATOM 0 HA CYS A 79 4.864 -1.029 -13.210 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.332 0.035 -11.756 1.00 0.00 H new ATOM 0 HB3 CYS A 79 2.945 0.648 -13.352 1.00 0.00 H new ATOM 1131 N PRO A 80 4.227 -2.854 -11.513 1.00 0.00 N ATOM 1132 CA PRO A 80 4.102 -4.092 -10.739 1.00 0.00 C ATOM 1133 C PRO A 80 2.720 -4.248 -10.113 1.00 0.00 C ATOM 1134 O PRO A 80 2.482 -5.171 -9.334 1.00 0.00 O ATOM 1135 CB PRO A 80 5.168 -3.939 -9.651 1.00 0.00 C ATOM 1136 CG PRO A 80 5.347 -2.468 -9.500 1.00 0.00 C ATOM 1137 CD PRO A 80 5.125 -1.882 -10.867 1.00 0.00 C ATOM 0 HA PRO A 80 4.233 -4.977 -11.362 1.00 0.00 H new ATOM 0 HB2 PRO A 80 4.847 -4.397 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.101 -4.424 -9.940 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.637 -2.060 -8.780 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.345 -2.232 -9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.672 -0.892 -10.811 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.061 -1.774 -11.415 1.00 0.00 H new ATOM 1145 N ARG A 81 1.814 -3.340 -10.460 1.00 0.00 N ATOM 1146 CA ARG A 81 0.455 -3.377 -9.931 1.00 0.00 C ATOM 1147 C ARG A 81 -0.532 -3.833 -11.001 1.00 0.00 C ATOM 1148 O ARG A 81 -1.596 -4.371 -10.690 1.00 0.00 O ATOM 1149 CB ARG A 81 0.053 -1.998 -9.404 1.00 0.00 C ATOM 1150 CG ARG A 81 0.321 -1.811 -7.920 1.00 0.00 C ATOM 1151 CD ARG A 81 -0.666 -0.839 -7.294 1.00 0.00 C ATOM 1152 NE ARG A 81 -1.837 -1.522 -6.751 1.00 0.00 N ATOM 1153 CZ ARG A 81 -3.037 -0.961 -6.657 1.00 0.00 C ATOM 1154 NH1 ARG A 81 -3.224 0.286 -7.068 1.00 0.00 N ATOM 1155 NH2 ARG A 81 -4.054 -1.647 -6.151 1.00 0.00 N ATOM 0 H ARG A 81 1.996 -2.570 -11.104 1.00 0.00 H new ATOM 0 HA ARG A 81 0.430 -4.093 -9.110 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.594 -1.234 -9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.008 -1.841 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.256 -2.774 -7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.337 -1.443 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.171 -0.281 -6.499 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.984 -0.113 -8.042 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.727 -2.483 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.445 0.817 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.147 0.714 -6.995 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.914 -2.606 -5.834 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -4.975 -1.215 -6.079 1.00 0.00 H new ATOM 1169 N CYS A 82 -0.174 -3.614 -12.261 1.00 0.00 N ATOM 1170 CA CYS A 82 -1.028 -4.000 -13.378 1.00 0.00 C ATOM 1171 C CYS A 82 -0.672 -5.398 -13.876 1.00 0.00 C ATOM 1172 O CYS A 82 -1.541 -6.260 -14.012 1.00 0.00 O ATOM 1173 CB CYS A 82 -0.898 -2.991 -14.520 1.00 0.00 C ATOM 1174 SG CYS A 82 -1.694 -1.386 -14.189 1.00 0.00 S ATOM 0 H CYS A 82 0.703 -3.171 -12.535 1.00 0.00 H new ATOM 0 HA CYS A 82 -2.060 -4.010 -13.028 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.160 -2.825 -14.725 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -1.333 -3.421 -15.422 1.00 0.00 H new ATOM 1179 N SER A 83 0.611 -5.615 -14.146 1.00 0.00 N ATOM 1180 CA SER A 83 1.082 -6.907 -14.632 1.00 0.00 C ATOM 1181 C SER A 83 0.276 -8.046 -14.016 1.00 0.00 C ATOM 1182 O SER A 83 -0.023 -9.038 -14.680 1.00 0.00 O ATOM 1183 CB SER A 83 2.567 -7.086 -14.312 1.00 0.00 C ATOM 1184 OG SER A 83 3.064 -8.297 -14.854 1.00 0.00 O ATOM 0 H SER A 83 1.343 -4.913 -14.037 1.00 0.00 H new ATOM 0 HA SER A 83 0.945 -6.932 -15.713 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.133 -6.245 -14.714 1.00 0.00 H new ATOM 0 HB3 SER A 83 2.712 -7.081 -13.232 1.00 0.00 H new ATOM 0 HG SER A 83 4.015 -8.387 -14.637 1.00 0.00 H new ATOM 1190 N GLN A 84 -0.072 -7.895 -12.742 1.00 0.00 N ATOM 1191 CA GLN A 84 -0.843 -8.911 -12.036 1.00 0.00 C ATOM 1192 C GLN A 84 -2.221 -9.086 -12.666 1.00 0.00 C ATOM 1193 O GLN A 84 -2.647 -10.206 -12.946 1.00 0.00 O ATOM 1194 CB GLN A 84 -0.989 -8.536 -10.560 1.00 0.00 C ATOM 1195 CG GLN A 84 0.339 -8.413 -9.829 1.00 0.00 C ATOM 1196 CD GLN A 84 0.918 -9.759 -9.441 1.00 0.00 C ATOM 1197 OE1 GLN A 84 0.247 -10.787 -9.537 1.00 0.00 O ATOM 1198 NE2 GLN A 84 2.170 -9.759 -9.000 1.00 0.00 N ATOM 0 H GLN A 84 0.168 -7.079 -12.178 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.306 -9.856 -12.113 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -1.524 -7.589 -10.485 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.600 -9.288 -10.061 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.051 -7.885 -10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.201 -7.809 -8.932 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.689 -8.883 -8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 84 2.614 -10.635 -8.724 1.00 0.00 H new ATOM 1207 N GLU A 85 -2.911 -7.972 -12.887 1.00 0.00 N ATOM 1208 CA GLU A 85 -4.241 -8.004 -13.484 1.00 0.00 C ATOM 1209 C GLU A 85 -4.154 -8.145 -15.001 1.00 0.00 C ATOM 1210 O GLU A 85 -3.874 -7.179 -15.710 1.00 0.00 O ATOM 1211 CB GLU A 85 -5.017 -6.736 -13.123 1.00 0.00 C ATOM 1212 CG GLU A 85 -5.422 -6.666 -11.660 1.00 0.00 C ATOM 1213 CD GLU A 85 -6.653 -5.809 -11.436 1.00 0.00 C ATOM 1214 OE1 GLU A 85 -6.497 -4.589 -11.220 1.00 0.00 O ATOM 1215 OE2 GLU A 85 -7.774 -6.359 -11.478 1.00 0.00 O ATOM 0 H GLU A 85 -2.572 -7.037 -12.662 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.769 -8.871 -13.086 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.407 -5.866 -13.364 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.912 -6.679 -13.742 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.613 -7.674 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.593 -6.265 -11.076 1.00 0.00 H new ATOM 1222 N SER A 86 -4.394 -9.357 -15.491 1.00 0.00 N ATOM 1223 CA SER A 86 -4.338 -9.627 -16.923 1.00 0.00 C ATOM 1224 C SER A 86 -5.700 -9.401 -17.572 1.00 0.00 C ATOM 1225 O SER A 86 -5.804 -8.762 -18.618 1.00 0.00 O ATOM 1226 CB SER A 86 -3.873 -11.063 -17.175 1.00 0.00 C ATOM 1227 OG SER A 86 -4.666 -11.990 -16.454 1.00 0.00 O ATOM 0 H SER A 86 -4.629 -10.167 -14.918 1.00 0.00 H new ATOM 0 HA SER A 86 -3.622 -8.937 -17.370 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.928 -11.285 -18.241 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.829 -11.167 -16.881 1.00 0.00 H new ATOM 0 HG SER A 86 -4.350 -12.900 -16.633 1.00 0.00 H new ATOM 1233 N GLY A 87 -6.745 -9.930 -16.942 1.00 0.00 N ATOM 1234 CA GLY A 87 -8.087 -9.776 -17.471 1.00 0.00 C ATOM 1235 C GLY A 87 -8.664 -11.083 -17.979 1.00 0.00 C ATOM 1236 O GLY A 87 -7.938 -11.989 -18.387 1.00 0.00 O ATOM 0 H GLY A 87 -6.685 -10.463 -16.074 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.737 -9.373 -16.694 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.073 -9.049 -18.283 1.00 0.00 H new ATOM 1240 N PRO A 88 -10.000 -11.193 -17.955 1.00 0.00 N ATOM 1241 CA PRO A 88 -10.704 -12.396 -18.412 1.00 0.00 C ATOM 1242 C PRO A 88 -10.618 -12.579 -19.923 1.00 0.00 C ATOM 1243 O PRO A 88 -9.940 -11.816 -20.613 1.00 0.00 O ATOM 1244 CB PRO A 88 -12.152 -12.143 -17.985 1.00 0.00 C ATOM 1245 CG PRO A 88 -12.274 -10.659 -17.919 1.00 0.00 C ATOM 1246 CD PRO A 88 -10.928 -10.152 -17.481 1.00 0.00 C ATOM 0 HA PRO A 88 -10.274 -13.305 -17.991 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.856 -12.567 -18.702 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.366 -12.601 -17.019 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.549 -10.247 -18.890 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.051 -10.362 -17.214 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.702 -9.181 -17.922 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.877 -10.031 -16.399 1.00 0.00 H new ATOM 1254 N SER A 89 -11.308 -13.594 -20.432 1.00 0.00 N ATOM 1255 CA SER A 89 -11.307 -13.879 -21.862 1.00 0.00 C ATOM 1256 C SER A 89 -12.303 -12.985 -22.595 1.00 0.00 C ATOM 1257 O SER A 89 -13.086 -13.456 -23.420 1.00 0.00 O ATOM 1258 CB SER A 89 -11.645 -15.350 -22.111 1.00 0.00 C ATOM 1259 OG SER A 89 -11.410 -15.706 -23.462 1.00 0.00 O ATOM 0 H SER A 89 -11.875 -14.233 -19.875 1.00 0.00 H new ATOM 0 HA SER A 89 -10.308 -13.673 -22.248 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.044 -15.980 -21.456 1.00 0.00 H new ATOM 0 HB3 SER A 89 -12.690 -15.534 -21.860 1.00 0.00 H new ATOM 0 HG SER A 89 -11.938 -15.126 -24.050 1.00 0.00 H new ATOM 1265 N SER A 90 -12.267 -11.693 -22.287 1.00 0.00 N ATOM 1266 CA SER A 90 -13.169 -10.733 -22.913 1.00 0.00 C ATOM 1267 C SER A 90 -12.566 -10.180 -24.200 1.00 0.00 C ATOM 1268 O SER A 90 -11.441 -10.517 -24.567 1.00 0.00 O ATOM 1269 CB SER A 90 -13.477 -9.586 -21.947 1.00 0.00 C ATOM 1270 OG SER A 90 -12.287 -8.950 -21.515 1.00 0.00 O ATOM 0 H SER A 90 -11.623 -11.287 -21.608 1.00 0.00 H new ATOM 0 HA SER A 90 -14.096 -11.250 -23.160 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.125 -8.859 -22.436 1.00 0.00 H new ATOM 0 HB3 SER A 90 -14.022 -9.969 -21.084 1.00 0.00 H new ATOM 0 HG SER A 90 -12.511 -8.220 -20.900 1.00 0.00 H new ATOM 1276 N GLY A 91 -13.324 -9.328 -24.884 1.00 0.00 N ATOM 1277 CA GLY A 91 -12.849 -8.742 -26.123 1.00 0.00 C ATOM 1278 C GLY A 91 -13.344 -7.323 -26.321 1.00 0.00 C ATOM 1279 O GLY A 91 -14.385 -7.134 -26.949 1.00 0.00 O ATOM 0 H GLY A 91 -14.259 -9.033 -24.602 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.759 -8.747 -26.129 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.176 -9.358 -26.961 1.00 0.00 H new TER 1283 GLY A 91 HETATM 1284 ZN ZN A 201 9.140 6.741 -5.794 1.00 0.00 ZN HETATM 1285 ZN ZN A 401 -0.070 0.328 -14.130 1.00 0.00 ZN