USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 GLN : amide:sc= 1.25 K(o=1.5,f=0) USER MOD Set 1.2: A 48 TYR OH : rot 134:sc= 0.246 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.301 (180deg=-1.17) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 1.08 (180deg=0.454) USER MOD Single : A 5 SER OG : rot 60:sc= 0.483 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.4) USER MOD Single : A 13 GLN : amide:sc= 0.536 K(o=0.54,f=-0.02) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.881 K(o=-0.88,f=-5.4!) USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= -0.013 (180deg=-0.137) USER MOD Single : A 33 SER OG : rot -147:sc= -0.193 USER MOD Single : A 34 SER OG : rot 70:sc= -0.803 USER MOD Single : A 41 ASN : amide:sc= -0.374 K(o=-0.37,f=-8.5!) USER MOD Single : A 44 ASN : amide:sc= -0.662 X(o=-0.66,f=-0.67) USER MOD Single : A 47 ASN : amide:sc= -0.534 K(o=-0.53,f=-3.5!) USER MOD Single : A 50 ASN : amide:sc= -0.0496 X(o=-0.05,f=-0.076) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.0205 (180deg=-0.208) USER MOD Single : A 53 GLN : amide:sc= 0.6 K(o=0.6,f=-0.07) USER MOD Single : A 58 SER OG : rot 130:sc= -0.107 USER MOD Single : A 61 TYR OH : rot -158:sc= 0.225 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.412 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -132:sc= -1.45 (180deg=-4.07!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.274 USER MOD Single : A 71 LYS NZ :NH3+ -154:sc= 1.22 (180deg=0.377) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 20:sc= 0.283 USER MOD Single : A 83 GLN : amide:sc= -0.145 X(o=-0.14,f=-0.44) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= -0.842 K(o=-0.84,f=-3) USER MOD Single : A 102 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.22) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc=-0.00164 X(o=-0.0016,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.281 0.923 -2.516 1.00 41.21 N ATOM 2 CA MET A 1 44.827 1.183 -2.716 1.00 14.04 C ATOM 3 C MET A 1 44.504 2.683 -2.595 1.00 30.33 C ATOM 4 O MET A 1 43.877 3.268 -3.479 1.00 4.53 O ATOM 5 CB MET A 1 44.005 0.378 -1.698 1.00 41.33 C ATOM 6 CG MET A 1 42.497 0.549 -1.838 1.00 62.21 C ATOM 7 SD MET A 1 41.570 -0.601 -0.797 1.00 12.15 S ATOM 8 CE MET A 1 42.130 -2.174 -1.452 1.00 4.41 C ATOM 0 H1 MET A 1 46.467 -0.097 -2.604 1.00 41.21 H new ATOM 0 H2 MET A 1 46.828 1.438 -3.236 1.00 41.21 H new ATOM 0 H3 MET A 1 46.564 1.246 -1.569 1.00 41.21 H new ATOM 0 HA MET A 1 44.561 0.865 -3.724 1.00 14.04 H new ATOM 0 HB2 MET A 1 44.251 -0.679 -1.803 1.00 41.33 H new ATOM 0 HB3 MET A 1 44.301 0.675 -0.692 1.00 41.33 H new ATOM 0 HG2 MET A 1 42.225 1.571 -1.576 1.00 62.21 H new ATOM 0 HG3 MET A 1 42.213 0.401 -2.880 1.00 62.21 H new ATOM 0 HE1 MET A 1 41.376 -2.937 -1.261 1.00 4.41 H new ATOM 0 HE2 MET A 1 42.291 -2.084 -2.526 1.00 4.41 H new ATOM 0 HE3 MET A 1 43.064 -2.458 -0.968 1.00 4.41 H new ATOM 20 N ASP A 2 44.922 3.297 -1.492 1.00 34.14 N ATOM 21 CA ASP A 2 44.709 4.734 -1.267 1.00 4.33 C ATOM 22 C ASP A 2 45.905 5.566 -1.764 1.00 54.01 C ATOM 23 O ASP A 2 46.846 5.031 -2.355 1.00 32.13 O ATOM 24 CB ASP A 2 44.504 4.985 0.231 1.00 20.01 C ATOM 25 CG ASP A 2 45.709 4.547 1.046 1.00 21.12 C ATOM 26 OD1 ASP A 2 45.776 3.361 1.432 1.00 52.33 O ATOM 27 OD2 ASP A 2 46.614 5.372 1.274 1.00 24.02 O ATOM 0 H ASP A 2 45.413 2.824 -0.733 1.00 34.14 H new ATOM 0 HA ASP A 2 43.826 5.040 -1.829 1.00 4.33 H new ATOM 0 HB2 ASP A 2 44.317 6.046 0.400 1.00 20.01 H new ATOM 0 HB3 ASP A 2 43.619 4.447 0.572 1.00 20.01 H new ATOM 32 N GLN A 3 45.855 6.879 -1.538 1.00 12.12 N ATOM 33 CA GLN A 3 47.025 7.745 -1.726 1.00 74.43 C ATOM 34 C GLN A 3 47.452 8.376 -0.391 1.00 65.33 C ATOM 35 O GLN A 3 47.055 9.495 -0.054 1.00 74.42 O ATOM 36 CB GLN A 3 46.760 8.836 -2.777 1.00 52.33 C ATOM 37 CG GLN A 3 46.599 8.298 -4.196 1.00 24.21 C ATOM 38 CD GLN A 3 46.605 9.392 -5.252 1.00 2.02 C ATOM 39 OE1 GLN A 3 45.565 9.925 -5.629 1.00 23.24 O ATOM 40 NE2 GLN A 3 47.782 9.744 -5.729 1.00 74.20 N ATOM 0 H GLN A 3 45.017 7.369 -1.224 1.00 12.12 H new ATOM 0 HA GLN A 3 47.839 7.121 -2.095 1.00 74.43 H new ATOM 0 HB2 GLN A 3 45.858 9.382 -2.501 1.00 52.33 H new ATOM 0 HB3 GLN A 3 47.583 9.551 -2.761 1.00 52.33 H new ATOM 0 HG2 GLN A 3 47.405 7.595 -4.405 1.00 24.21 H new ATOM 0 HG3 GLN A 3 45.664 7.741 -4.263 1.00 24.21 H new ATOM 0 HE21 GLN A 3 48.627 9.281 -5.394 1.00 74.20 H new ATOM 0 HE22 GLN A 3 47.848 10.479 -6.433 1.00 74.20 H new ATOM 49 N LYS A 4 48.236 7.627 0.385 1.00 15.30 N ATOM 50 CA LYS A 4 48.732 8.093 1.690 1.00 15.32 C ATOM 51 C LYS A 4 49.710 9.265 1.540 1.00 3.14 C ATOM 52 O LYS A 4 49.829 10.104 2.432 1.00 71.30 O ATOM 53 CB LYS A 4 49.382 6.930 2.449 1.00 72.02 C ATOM 54 CG LYS A 4 50.398 6.145 1.619 1.00 71.40 C ATOM 55 CD LYS A 4 50.785 4.821 2.277 1.00 4.45 C ATOM 56 CE LYS A 4 49.566 3.944 2.564 1.00 32.42 C ATOM 57 NZ LYS A 4 48.720 3.722 1.355 1.00 42.31 N ATOM 0 H LYS A 4 48.546 6.688 0.134 1.00 15.30 H new ATOM 0 HA LYS A 4 47.881 8.458 2.265 1.00 15.32 H new ATOM 0 HB2 LYS A 4 49.877 7.320 3.339 1.00 72.02 H new ATOM 0 HB3 LYS A 4 48.602 6.250 2.790 1.00 72.02 H new ATOM 0 HG2 LYS A 4 49.983 5.949 0.630 1.00 71.40 H new ATOM 0 HG3 LYS A 4 51.292 6.751 1.475 1.00 71.40 H new ATOM 0 HD2 LYS A 4 51.474 4.282 1.627 1.00 4.45 H new ATOM 0 HD3 LYS A 4 51.315 5.021 3.208 1.00 4.45 H new ATOM 0 HE2 LYS A 4 49.899 2.981 2.951 1.00 32.42 H new ATOM 0 HE3 LYS A 4 48.963 4.410 3.344 1.00 32.42 H new ATOM 0 HZ1 LYS A 4 48.042 2.956 1.542 1.00 42.31 H new ATOM 0 HZ2 LYS A 4 48.203 4.595 1.128 1.00 42.31 H new ATOM 0 HZ3 LYS A 4 49.325 3.460 0.551 1.00 42.31 H new ATOM 71 N SER A 5 50.412 9.319 0.411 1.00 51.02 N ATOM 72 CA SER A 5 51.223 10.494 0.063 1.00 71.33 C ATOM 73 C SER A 5 50.418 11.423 -0.851 1.00 31.31 C ATOM 74 O SER A 5 50.784 11.666 -2.003 1.00 74.03 O ATOM 75 CB SER A 5 52.539 10.081 -0.620 1.00 60.04 C ATOM 76 OG SER A 5 52.301 9.417 -1.854 1.00 2.52 O ATOM 0 H SER A 5 50.439 8.569 -0.279 1.00 51.02 H new ATOM 0 HA SER A 5 51.477 11.022 0.982 1.00 71.33 H new ATOM 0 HB2 SER A 5 53.153 10.965 -0.794 1.00 60.04 H new ATOM 0 HB3 SER A 5 53.104 9.426 0.043 1.00 60.04 H new ATOM 0 HG SER A 5 51.805 10.011 -2.455 1.00 2.52 H new ATOM 82 N SER A 6 49.305 11.926 -0.328 1.00 42.44 N ATOM 83 CA SER A 6 48.372 12.748 -1.110 1.00 32.21 C ATOM 84 C SER A 6 48.918 14.156 -1.383 1.00 34.33 C ATOM 85 O SER A 6 49.905 14.593 -0.783 1.00 42.13 O ATOM 86 CB SER A 6 47.018 12.854 -0.388 1.00 40.12 C ATOM 87 OG SER A 6 47.163 13.435 0.902 1.00 65.03 O ATOM 0 H SER A 6 49.021 11.781 0.641 1.00 42.44 H new ATOM 0 HA SER A 6 48.243 12.250 -2.071 1.00 32.21 H new ATOM 0 HB2 SER A 6 46.332 13.455 -0.985 1.00 40.12 H new ATOM 0 HB3 SER A 6 46.575 11.863 -0.295 1.00 40.12 H new ATOM 0 HG SER A 6 46.286 13.491 1.336 1.00 65.03 H new ATOM 93 N SER A 7 48.259 14.855 -2.304 1.00 64.01 N ATOM 94 CA SER A 7 48.623 16.231 -2.669 1.00 22.01 C ATOM 95 C SER A 7 48.064 17.235 -1.642 1.00 1.30 C ATOM 96 O SER A 7 47.222 16.873 -0.819 1.00 15.43 O ATOM 97 CB SER A 7 48.080 16.549 -4.075 1.00 23.14 C ATOM 98 OG SER A 7 48.625 15.671 -5.051 1.00 43.33 O ATOM 0 H SER A 7 47.459 14.489 -2.820 1.00 64.01 H new ATOM 0 HA SER A 7 49.709 16.320 -2.671 1.00 22.01 H new ATOM 0 HB2 SER A 7 46.993 16.466 -4.075 1.00 23.14 H new ATOM 0 HB3 SER A 7 48.321 17.580 -4.335 1.00 23.14 H new ATOM 0 HG SER A 7 48.261 15.896 -5.933 1.00 43.33 H new ATOM 104 N PRO A 8 48.527 18.512 -1.661 1.00 11.30 N ATOM 105 CA PRO A 8 48.029 19.564 -0.750 1.00 4.22 C ATOM 106 C PRO A 8 46.495 19.577 -0.596 1.00 35.21 C ATOM 107 O PRO A 8 45.971 19.968 0.451 1.00 24.21 O ATOM 108 CB PRO A 8 48.518 20.878 -1.401 1.00 74.32 C ATOM 109 CG PRO A 8 49.186 20.482 -2.685 1.00 40.41 C ATOM 110 CD PRO A 8 49.586 19.042 -2.532 1.00 61.13 C ATOM 0 HA PRO A 8 48.398 19.405 0.263 1.00 4.22 H new ATOM 0 HB2 PRO A 8 47.684 21.554 -1.588 1.00 74.32 H new ATOM 0 HB3 PRO A 8 49.213 21.403 -0.746 1.00 74.32 H new ATOM 0 HG2 PRO A 8 48.509 20.609 -3.530 1.00 40.41 H new ATOM 0 HG3 PRO A 8 50.057 21.108 -2.878 1.00 40.41 H new ATOM 0 HD2 PRO A 8 49.620 18.525 -3.491 1.00 61.13 H new ATOM 0 HD3 PRO A 8 50.573 18.940 -2.080 1.00 61.13 H new ATOM 118 N GLN A 9 45.783 19.161 -1.644 1.00 33.32 N ATOM 119 CA GLN A 9 44.322 19.023 -1.595 1.00 14.32 C ATOM 120 C GLN A 9 43.919 17.543 -1.783 1.00 24.23 C ATOM 121 O GLN A 9 44.112 16.968 -2.859 1.00 31.23 O ATOM 122 CB GLN A 9 43.675 19.925 -2.669 1.00 42.03 C ATOM 123 CG GLN A 9 42.173 20.162 -2.481 1.00 54.34 C ATOM 124 CD GLN A 9 41.309 18.989 -2.914 1.00 2.54 C ATOM 125 OE1 GLN A 9 41.646 18.258 -3.834 1.00 63.01 O ATOM 126 NE2 GLN A 9 40.191 18.799 -2.250 1.00 74.42 N ATOM 0 H GLN A 9 46.195 18.912 -2.543 1.00 33.32 H new ATOM 0 HA GLN A 9 43.960 19.344 -0.618 1.00 14.32 H new ATOM 0 HB2 GLN A 9 44.184 20.889 -2.670 1.00 42.03 H new ATOM 0 HB3 GLN A 9 43.839 19.476 -3.649 1.00 42.03 H new ATOM 0 HG2 GLN A 9 41.977 20.377 -1.431 1.00 54.34 H new ATOM 0 HG3 GLN A 9 41.880 21.046 -3.048 1.00 54.34 H new ATOM 0 HE21 GLN A 9 39.938 19.427 -1.487 1.00 74.42 H new ATOM 0 HE22 GLN A 9 39.576 18.024 -2.498 1.00 74.42 H new ATOM 135 N PRO A 10 43.383 16.896 -0.724 1.00 42.55 N ATOM 136 CA PRO A 10 43.002 15.473 -0.757 1.00 63.33 C ATOM 137 C PRO A 10 41.585 15.214 -1.314 1.00 4.43 C ATOM 138 O PRO A 10 40.811 16.141 -1.557 1.00 21.40 O ATOM 139 CB PRO A 10 43.076 15.088 0.722 1.00 44.42 C ATOM 140 CG PRO A 10 42.662 16.326 1.448 1.00 1.31 C ATOM 141 CD PRO A 10 43.124 17.495 0.604 1.00 5.12 C ATOM 0 HA PRO A 10 43.647 14.896 -1.420 1.00 63.33 H new ATOM 0 HB2 PRO A 10 42.413 14.253 0.949 1.00 44.42 H new ATOM 0 HB3 PRO A 10 44.083 14.780 1.003 1.00 44.42 H new ATOM 0 HG2 PRO A 10 41.581 16.351 1.587 1.00 1.31 H new ATOM 0 HG3 PRO A 10 43.112 16.362 2.440 1.00 1.31 H new ATOM 0 HD2 PRO A 10 42.363 18.274 0.549 1.00 5.12 H new ATOM 0 HD3 PRO A 10 44.022 17.955 1.017 1.00 5.12 H new ATOM 149 N ALA A 11 41.256 13.938 -1.518 1.00 44.01 N ATOM 150 CA ALA A 11 39.930 13.536 -2.005 1.00 23.14 C ATOM 151 C ALA A 11 39.085 12.900 -0.883 1.00 71.43 C ATOM 152 O ALA A 11 39.595 12.129 -0.065 1.00 72.30 O ATOM 153 CB ALA A 11 40.076 12.562 -3.171 1.00 3.23 C ATOM 0 H ALA A 11 41.892 13.158 -1.353 1.00 44.01 H new ATOM 0 HA ALA A 11 39.411 14.432 -2.346 1.00 23.14 H new ATOM 0 HB1 ALA A 11 39.088 12.269 -3.526 1.00 3.23 H new ATOM 0 HB2 ALA A 11 40.625 13.043 -3.981 1.00 3.23 H new ATOM 0 HB3 ALA A 11 40.620 11.677 -2.840 1.00 3.23 H new ATOM 159 N ALA A 12 37.790 13.221 -0.857 1.00 64.12 N ATOM 160 CA ALA A 12 36.869 12.691 0.161 1.00 42.14 C ATOM 161 C ALA A 12 35.633 12.032 -0.479 1.00 55.14 C ATOM 162 O ALA A 12 35.508 11.976 -1.703 1.00 4.45 O ATOM 163 CB ALA A 12 36.442 13.811 1.108 1.00 24.13 C ATOM 0 H ALA A 12 37.350 13.848 -1.531 1.00 64.12 H new ATOM 0 HA ALA A 12 37.397 11.922 0.725 1.00 42.14 H new ATOM 0 HB1 ALA A 12 35.760 13.412 1.859 1.00 24.13 H new ATOM 0 HB2 ALA A 12 37.321 14.226 1.600 1.00 24.13 H new ATOM 0 HB3 ALA A 12 35.939 14.595 0.541 1.00 24.13 H new ATOM 169 N GLN A 13 34.732 11.515 0.358 1.00 12.43 N ATOM 170 CA GLN A 13 33.479 10.899 -0.112 1.00 14.13 C ATOM 171 C GLN A 13 32.250 11.623 0.466 1.00 71.23 C ATOM 172 O GLN A 13 32.303 12.181 1.561 1.00 22.22 O ATOM 173 CB GLN A 13 33.445 9.413 0.273 1.00 21.41 C ATOM 174 CG GLN A 13 34.517 8.570 -0.415 1.00 0.11 C ATOM 175 CD GLN A 13 34.296 8.443 -1.916 1.00 33.25 C ATOM 176 OE1 GLN A 13 33.632 7.521 -2.377 1.00 64.11 O ATOM 177 NE2 GLN A 13 34.833 9.365 -2.690 1.00 24.34 N ATOM 0 H GLN A 13 34.843 11.508 1.372 1.00 12.43 H new ATOM 0 HA GLN A 13 33.445 10.990 -1.198 1.00 14.13 H new ATOM 0 HB2 GLN A 13 33.565 9.325 1.353 1.00 21.41 H new ATOM 0 HB3 GLN A 13 32.464 9.007 0.027 1.00 21.41 H new ATOM 0 HG2 GLN A 13 35.495 9.015 -0.233 1.00 0.11 H new ATOM 0 HG3 GLN A 13 34.532 7.575 0.031 1.00 0.11 H new ATOM 0 HE21 GLN A 13 35.381 10.121 -2.278 1.00 24.34 H new ATOM 0 HE22 GLN A 13 34.701 9.323 -3.701 1.00 24.34 H new ATOM 186 N ALA A 14 31.142 11.600 -0.272 1.00 53.43 N ATOM 187 CA ALA A 14 29.915 12.293 0.143 1.00 34.42 C ATOM 188 C ALA A 14 28.966 11.373 0.933 1.00 23.52 C ATOM 189 O ALA A 14 28.805 10.197 0.598 1.00 34.12 O ATOM 190 CB ALA A 14 29.202 12.855 -1.080 1.00 22.31 C ATOM 0 H ALA A 14 31.065 11.109 -1.163 1.00 53.43 H new ATOM 0 HA ALA A 14 30.204 13.107 0.808 1.00 34.42 H new ATOM 0 HB1 ALA A 14 28.293 13.368 -0.767 1.00 22.31 H new ATOM 0 HB2 ALA A 14 29.858 13.559 -1.592 1.00 22.31 H new ATOM 0 HB3 ALA A 14 28.944 12.041 -1.757 1.00 22.31 H new ATOM 196 N PRO A 15 28.319 11.900 1.999 1.00 33.14 N ATOM 197 CA PRO A 15 27.340 11.141 2.796 1.00 75.32 C ATOM 198 C PRO A 15 25.929 11.121 2.167 1.00 30.53 C ATOM 199 O PRO A 15 25.608 11.938 1.298 1.00 53.25 O ATOM 200 CB PRO A 15 27.331 11.908 4.121 1.00 72.35 C ATOM 201 CG PRO A 15 27.585 13.325 3.725 1.00 12.52 C ATOM 202 CD PRO A 15 28.506 13.270 2.526 1.00 42.41 C ATOM 0 HA PRO A 15 27.607 10.088 2.883 1.00 75.32 H new ATOM 0 HB2 PRO A 15 26.376 11.803 4.635 1.00 72.35 H new ATOM 0 HB3 PRO A 15 28.101 11.540 4.800 1.00 72.35 H new ATOM 0 HG2 PRO A 15 26.653 13.833 3.477 1.00 12.52 H new ATOM 0 HG3 PRO A 15 28.043 13.881 4.543 1.00 12.52 H new ATOM 0 HD2 PRO A 15 28.242 14.023 1.784 1.00 42.41 H new ATOM 0 HD3 PRO A 15 29.543 13.451 2.809 1.00 42.41 H new ATOM 210 N GLU A 16 25.083 10.193 2.622 1.00 24.12 N ATOM 211 CA GLU A 16 23.725 10.043 2.081 1.00 60.14 C ATOM 212 C GLU A 16 22.660 10.687 2.989 1.00 42.43 C ATOM 213 O GLU A 16 22.956 11.165 4.087 1.00 75.13 O ATOM 214 CB GLU A 16 23.405 8.549 1.830 1.00 51.32 C ATOM 215 CG GLU A 16 23.896 7.582 2.916 1.00 74.34 C ATOM 216 CD GLU A 16 23.278 7.822 4.288 1.00 42.14 C ATOM 217 OE1 GLU A 16 22.141 7.365 4.530 1.00 71.53 O ATOM 218 OE2 GLU A 16 23.935 8.459 5.137 1.00 32.24 O ATOM 0 H GLU A 16 25.313 9.532 3.364 1.00 24.12 H new ATOM 0 HA GLU A 16 23.694 10.575 1.130 1.00 60.14 H new ATOM 0 HB2 GLU A 16 22.325 8.438 1.729 1.00 51.32 H new ATOM 0 HB3 GLU A 16 23.847 8.255 0.878 1.00 51.32 H new ATOM 0 HG2 GLU A 16 23.677 6.561 2.604 1.00 74.34 H new ATOM 0 HG3 GLU A 16 24.980 7.665 2.998 1.00 74.34 H new ATOM 225 N THR A 17 21.420 10.707 2.507 1.00 54.23 N ATOM 226 CA THR A 17 20.292 11.287 3.253 1.00 40.41 C ATOM 227 C THR A 17 19.119 10.292 3.328 1.00 60.31 C ATOM 228 O THR A 17 18.416 10.070 2.342 1.00 73.32 O ATOM 229 CB THR A 17 19.812 12.610 2.596 1.00 14.23 C ATOM 230 OG1 THR A 17 20.890 13.565 2.563 1.00 71.31 O ATOM 231 CG2 THR A 17 18.628 13.214 3.349 1.00 60.21 C ATOM 0 H THR A 17 21.163 10.326 1.596 1.00 54.23 H new ATOM 0 HA THR A 17 20.641 11.503 4.263 1.00 40.41 H new ATOM 0 HB THR A 17 19.491 12.375 1.581 1.00 14.23 H new ATOM 0 HG1 THR A 17 20.579 14.395 2.146 1.00 71.31 H new ATOM 0 HG21 THR A 17 18.320 14.138 2.861 1.00 60.21 H new ATOM 0 HG22 THR A 17 17.797 12.508 3.347 1.00 60.21 H new ATOM 0 HG23 THR A 17 18.921 13.427 4.377 1.00 60.21 H new ATOM 239 N LYS A 18 18.924 9.686 4.501 1.00 2.45 N ATOM 240 CA LYS A 18 17.907 8.638 4.679 1.00 1.51 C ATOM 241 C LYS A 18 16.664 9.155 5.428 1.00 65.01 C ATOM 242 O LYS A 18 16.775 9.745 6.508 1.00 54.32 O ATOM 243 CB LYS A 18 18.517 7.456 5.446 1.00 54.45 C ATOM 244 CG LYS A 18 17.572 6.269 5.612 1.00 71.14 C ATOM 245 CD LYS A 18 18.201 5.151 6.440 1.00 23.35 C ATOM 246 CE LYS A 18 19.517 4.661 5.838 1.00 71.23 C ATOM 247 NZ LYS A 18 20.073 3.502 6.586 1.00 61.45 N ATOM 0 H LYS A 18 19.456 9.901 5.345 1.00 2.45 H new ATOM 0 HA LYS A 18 17.584 8.319 3.688 1.00 1.51 H new ATOM 0 HB2 LYS A 18 19.414 7.123 4.925 1.00 54.45 H new ATOM 0 HB3 LYS A 18 18.830 7.799 6.432 1.00 54.45 H new ATOM 0 HG2 LYS A 18 16.652 6.602 6.092 1.00 71.14 H new ATOM 0 HG3 LYS A 18 17.298 5.883 4.630 1.00 71.14 H new ATOM 0 HD2 LYS A 18 18.378 5.507 7.455 1.00 23.35 H new ATOM 0 HD3 LYS A 18 17.503 4.317 6.512 1.00 23.35 H new ATOM 0 HE2 LYS A 18 19.357 4.378 4.798 1.00 71.23 H new ATOM 0 HE3 LYS A 18 20.242 5.475 5.839 1.00 71.23 H new ATOM 0 HZ1 LYS A 18 20.965 3.200 6.145 1.00 61.45 H new ATOM 0 HZ2 LYS A 18 20.250 3.778 7.573 1.00 61.45 H new ATOM 0 HZ3 LYS A 18 19.393 2.716 6.563 1.00 61.45 H new ATOM 261 N GLN A 19 15.484 8.922 4.851 1.00 63.24 N ATOM 262 CA GLN A 19 14.208 9.286 5.488 1.00 0.11 C ATOM 263 C GLN A 19 13.629 8.094 6.274 1.00 74.23 C ATOM 264 O GLN A 19 13.905 6.939 5.953 1.00 4.12 O ATOM 265 CB GLN A 19 13.199 9.750 4.425 1.00 24.32 C ATOM 266 CG GLN A 19 13.645 10.972 3.621 1.00 64.22 C ATOM 267 CD GLN A 19 13.689 12.258 4.441 1.00 51.20 C ATOM 268 OE1 GLN A 19 13.929 12.245 5.644 1.00 34.35 O ATOM 269 NE2 GLN A 19 13.464 13.381 3.792 1.00 53.01 N ATOM 0 H GLN A 19 15.381 8.480 3.938 1.00 63.24 H new ATOM 0 HA GLN A 19 14.396 10.103 6.185 1.00 0.11 H new ATOM 0 HB2 GLN A 19 13.011 8.926 3.736 1.00 24.32 H new ATOM 0 HB3 GLN A 19 12.253 9.978 4.915 1.00 24.32 H new ATOM 0 HG2 GLN A 19 14.634 10.782 3.205 1.00 64.22 H new ATOM 0 HG3 GLN A 19 12.967 11.110 2.779 1.00 64.22 H new ATOM 0 HE21 GLN A 19 13.267 13.361 2.791 1.00 53.01 H new ATOM 0 HE22 GLN A 19 13.487 14.271 4.290 1.00 53.01 H new ATOM 278 N ALA A 20 12.824 8.382 7.300 1.00 2.25 N ATOM 279 CA ALA A 20 12.274 7.334 8.178 1.00 4.33 C ATOM 280 C ALA A 20 10.836 6.929 7.800 1.00 51.01 C ATOM 281 O ALA A 20 10.066 7.730 7.264 1.00 61.51 O ATOM 282 CB ALA A 20 12.321 7.799 9.628 1.00 53.43 C ATOM 0 H ALA A 20 12.536 9.329 7.547 1.00 2.25 H new ATOM 0 HA ALA A 20 12.896 6.448 8.048 1.00 4.33 H new ATOM 0 HB1 ALA A 20 11.913 7.021 10.273 1.00 53.43 H new ATOM 0 HB2 ALA A 20 13.354 8.001 9.912 1.00 53.43 H new ATOM 0 HB3 ALA A 20 11.730 8.708 9.738 1.00 53.43 H new ATOM 288 N PHE A 21 10.484 5.673 8.099 1.00 3.32 N ATOM 289 CA PHE A 21 9.130 5.145 7.856 1.00 63.13 C ATOM 290 C PHE A 21 8.283 5.120 9.148 1.00 72.41 C ATOM 291 O PHE A 21 8.551 4.323 10.050 1.00 45.23 O ATOM 292 CB PHE A 21 9.205 3.712 7.301 1.00 14.33 C ATOM 293 CG PHE A 21 9.820 3.592 5.926 1.00 54.33 C ATOM 294 CD1 PHE A 21 9.143 4.048 4.804 1.00 14.15 C ATOM 295 CD2 PHE A 21 11.064 2.998 5.756 1.00 40.33 C ATOM 296 CE1 PHE A 21 9.693 3.915 3.543 1.00 32.13 C ATOM 297 CE2 PHE A 21 11.618 2.869 4.497 1.00 15.41 C ATOM 298 CZ PHE A 21 10.932 3.325 3.391 1.00 42.42 C ATOM 0 H PHE A 21 11.123 4.995 8.514 1.00 3.32 H new ATOM 0 HA PHE A 21 8.657 5.810 7.133 1.00 63.13 H new ATOM 0 HB2 PHE A 21 9.780 3.099 7.995 1.00 14.33 H new ATOM 0 HB3 PHE A 21 8.197 3.297 7.270 1.00 14.33 H new ATOM 0 HD1 PHE A 21 8.175 4.512 4.917 1.00 14.15 H new ATOM 0 HD2 PHE A 21 11.604 2.633 6.617 1.00 40.33 H new ATOM 0 HE1 PHE A 21 9.154 4.272 2.678 1.00 32.13 H new ATOM 0 HE2 PHE A 21 12.589 2.411 4.379 1.00 15.41 H new ATOM 0 HZ PHE A 21 11.364 3.221 2.407 1.00 42.42 H new ATOM 308 N PRO A 22 7.254 5.985 9.269 1.00 53.12 N ATOM 309 CA PRO A 22 6.311 5.926 10.392 1.00 32.14 C ATOM 310 C PRO A 22 5.137 4.960 10.120 1.00 22.55 C ATOM 311 O PRO A 22 4.162 5.317 9.454 1.00 72.32 O ATOM 312 CB PRO A 22 5.825 7.377 10.485 1.00 24.40 C ATOM 313 CG PRO A 22 5.856 7.878 9.070 1.00 25.40 C ATOM 314 CD PRO A 22 6.945 7.104 8.353 1.00 43.33 C ATOM 0 HA PRO A 22 6.764 5.550 11.309 1.00 32.14 H new ATOM 0 HB2 PRO A 22 4.820 7.432 10.903 1.00 24.40 H new ATOM 0 HB3 PRO A 22 6.472 7.971 11.130 1.00 24.40 H new ATOM 0 HG2 PRO A 22 4.891 7.726 8.585 1.00 25.40 H new ATOM 0 HG3 PRO A 22 6.061 8.948 9.044 1.00 25.40 H new ATOM 0 HD2 PRO A 22 6.604 6.743 7.383 1.00 43.33 H new ATOM 0 HD3 PRO A 22 7.822 7.725 8.172 1.00 43.33 H new ATOM 322 N ARG A 23 5.219 3.737 10.655 1.00 51.01 N ATOM 323 CA ARG A 23 4.225 2.699 10.338 1.00 42.43 C ATOM 324 C ARG A 23 2.856 2.972 10.980 1.00 32.33 C ATOM 325 O ARG A 23 1.829 2.601 10.423 1.00 10.11 O ATOM 326 CB ARG A 23 4.727 1.300 10.744 1.00 1.24 C ATOM 327 CG ARG A 23 4.989 1.117 12.239 1.00 51.40 C ATOM 328 CD ARG A 23 5.312 -0.338 12.578 1.00 4.32 C ATOM 329 NE ARG A 23 5.712 -0.508 13.975 1.00 32.10 N ATOM 330 CZ ARG A 23 5.361 -1.519 14.730 1.00 41.12 C ATOM 331 NH1 ARG A 23 4.562 -2.434 14.286 1.00 1.31 N ATOM 332 NH2 ARG A 23 5.824 -1.617 15.933 1.00 60.35 N ATOM 0 H ARG A 23 5.951 3.442 11.301 1.00 51.01 H new ATOM 0 HA ARG A 23 4.092 2.729 9.257 1.00 42.43 H new ATOM 0 HB2 ARG A 23 3.992 0.560 10.426 1.00 1.24 H new ATOM 0 HB3 ARG A 23 5.648 1.089 10.200 1.00 1.24 H new ATOM 0 HG2 ARG A 23 5.818 1.755 12.545 1.00 51.40 H new ATOM 0 HG3 ARG A 23 4.114 1.438 12.805 1.00 51.40 H new ATOM 0 HD2 ARG A 23 4.439 -0.958 12.374 1.00 4.32 H new ATOM 0 HD3 ARG A 23 6.113 -0.691 11.928 1.00 4.32 H new ATOM 0 HE ARG A 23 6.305 0.211 14.390 1.00 32.10 H new ATOM 0 HH11 ARG A 23 4.196 -2.374 13.336 1.00 1.31 H new ATOM 0 HH12 ARG A 23 4.298 -3.215 14.886 1.00 1.31 H new ATOM 0 HH21 ARG A 23 6.462 -0.907 16.293 1.00 60.35 H new ATOM 0 HH22 ARG A 23 5.551 -2.404 16.522 1.00 60.35 H new ATOM 346 N LYS A 24 2.843 3.632 12.136 1.00 63.41 N ATOM 347 CA LYS A 24 1.586 3.908 12.849 1.00 55.23 C ATOM 348 C LYS A 24 0.605 4.736 11.998 1.00 51.13 C ATOM 349 O LYS A 24 -0.610 4.620 12.153 1.00 14.20 O ATOM 350 CB LYS A 24 1.875 4.623 14.176 1.00 33.44 C ATOM 351 CG LYS A 24 2.691 3.782 15.156 1.00 21.11 C ATOM 352 CD LYS A 24 2.918 4.503 16.484 1.00 24.22 C ATOM 353 CE LYS A 24 1.609 4.768 17.231 1.00 34.42 C ATOM 354 NZ LYS A 24 0.880 3.509 17.557 1.00 75.52 N ATOM 0 H LYS A 24 3.679 3.986 12.601 1.00 63.41 H new ATOM 0 HA LYS A 24 1.109 2.949 13.052 1.00 55.23 H new ATOM 0 HB2 LYS A 24 2.411 5.550 13.971 1.00 33.44 H new ATOM 0 HB3 LYS A 24 0.930 4.898 14.645 1.00 33.44 H new ATOM 0 HG2 LYS A 24 2.176 2.839 15.340 1.00 21.11 H new ATOM 0 HG3 LYS A 24 3.654 3.537 14.708 1.00 21.11 H new ATOM 0 HD2 LYS A 24 3.578 3.904 17.112 1.00 24.22 H new ATOM 0 HD3 LYS A 24 3.426 5.449 16.299 1.00 24.22 H new ATOM 0 HE2 LYS A 24 1.822 5.311 18.152 1.00 34.42 H new ATOM 0 HE3 LYS A 24 0.970 5.409 16.624 1.00 34.42 H new ATOM 0 HZ1 LYS A 24 0.084 3.723 18.191 1.00 75.52 H new ATOM 0 HZ2 LYS A 24 0.520 3.080 16.681 1.00 75.52 H new ATOM 0 HZ3 LYS A 24 1.528 2.845 18.027 1.00 75.52 H new ATOM 368 N PHE A 25 1.135 5.563 11.097 1.00 44.42 N ATOM 369 CA PHE A 25 0.296 6.376 10.203 1.00 64.31 C ATOM 370 C PHE A 25 0.025 5.660 8.872 1.00 64.35 C ATOM 371 O PHE A 25 -1.104 5.655 8.377 1.00 10.03 O ATOM 372 CB PHE A 25 0.958 7.733 9.947 1.00 74.33 C ATOM 373 CG PHE A 25 1.019 8.592 11.179 1.00 3.24 C ATOM 374 CD1 PHE A 25 -0.038 9.429 11.504 1.00 75.43 C ATOM 375 CD2 PHE A 25 2.120 8.551 12.020 1.00 73.13 C ATOM 376 CE1 PHE A 25 0.004 10.208 12.640 1.00 63.12 C ATOM 377 CE2 PHE A 25 2.167 9.331 13.158 1.00 20.04 C ATOM 378 CZ PHE A 25 1.108 10.160 13.469 1.00 52.04 C ATOM 0 H PHE A 25 2.138 5.691 10.963 1.00 44.42 H new ATOM 0 HA PHE A 25 -0.663 6.530 10.698 1.00 64.31 H new ATOM 0 HB2 PHE A 25 1.968 7.574 9.570 1.00 74.33 H new ATOM 0 HB3 PHE A 25 0.406 8.260 9.169 1.00 74.33 H new ATOM 0 HD1 PHE A 25 -0.904 9.471 10.860 1.00 75.43 H new ATOM 0 HD2 PHE A 25 2.950 7.902 11.782 1.00 73.13 H new ATOM 0 HE1 PHE A 25 -0.826 10.856 12.882 1.00 63.12 H new ATOM 0 HE2 PHE A 25 3.031 9.293 13.804 1.00 20.04 H new ATOM 0 HZ PHE A 25 1.143 10.770 14.359 1.00 52.04 H new ATOM 388 N VAL A 26 1.060 5.055 8.297 1.00 54.10 N ATOM 389 CA VAL A 26 0.916 4.318 7.036 1.00 63.11 C ATOM 390 C VAL A 26 -0.090 3.161 7.179 1.00 33.40 C ATOM 391 O VAL A 26 -0.991 2.997 6.354 1.00 54.45 O ATOM 392 CB VAL A 26 2.277 3.765 6.547 1.00 11.23 C ATOM 393 CG1 VAL A 26 2.120 3.055 5.206 1.00 21.41 C ATOM 394 CG2 VAL A 26 3.312 4.883 6.449 1.00 12.41 C ATOM 0 H VAL A 26 2.006 5.058 8.679 1.00 54.10 H new ATOM 0 HA VAL A 26 0.539 5.024 6.296 1.00 63.11 H new ATOM 0 HB VAL A 26 2.631 3.038 7.278 1.00 11.23 H new ATOM 0 HG11 VAL A 26 3.088 2.674 4.880 1.00 21.41 H new ATOM 0 HG12 VAL A 26 1.421 2.226 5.313 1.00 21.41 H new ATOM 0 HG13 VAL A 26 1.739 3.757 4.465 1.00 21.41 H new ATOM 0 HG21 VAL A 26 4.260 4.472 6.104 1.00 12.41 H new ATOM 0 HG22 VAL A 26 2.966 5.638 5.744 1.00 12.41 H new ATOM 0 HG23 VAL A 26 3.450 5.338 7.430 1.00 12.41 H new ATOM 404 N LEU A 27 0.056 2.373 8.243 1.00 12.51 N ATOM 405 CA LEU A 27 -0.880 1.280 8.526 1.00 33.03 C ATOM 406 C LEU A 27 -2.274 1.822 8.882 1.00 11.50 C ATOM 407 O LEU A 27 -3.284 1.166 8.637 1.00 4.33 O ATOM 408 CB LEU A 27 -0.348 0.396 9.665 1.00 54.43 C ATOM 409 CG LEU A 27 1.010 -0.280 9.399 1.00 12.53 C ATOM 410 CD1 LEU A 27 1.446 -1.121 10.599 1.00 34.23 C ATOM 411 CD2 LEU A 27 0.961 -1.132 8.130 1.00 4.43 C ATOM 0 H LEU A 27 0.810 2.468 8.923 1.00 12.51 H new ATOM 0 HA LEU A 27 -0.970 0.675 7.624 1.00 33.03 H new ATOM 0 HB2 LEU A 27 -0.261 1.005 10.564 1.00 54.43 H new ATOM 0 HB3 LEU A 27 -1.085 -0.379 9.875 1.00 54.43 H new ATOM 0 HG LEU A 27 1.750 0.506 9.249 1.00 12.53 H new ATOM 0 HD11 LEU A 27 2.408 -1.588 10.386 1.00 34.23 H new ATOM 0 HD12 LEU A 27 1.540 -0.482 11.477 1.00 34.23 H new ATOM 0 HD13 LEU A 27 0.702 -1.894 10.791 1.00 34.23 H new ATOM 0 HD21 LEU A 27 1.933 -1.597 7.966 1.00 4.43 H new ATOM 0 HD22 LEU A 27 0.202 -1.906 8.241 1.00 4.43 H new ATOM 0 HD23 LEU A 27 0.713 -0.500 7.277 1.00 4.43 H new ATOM 423 N ALA A 28 -2.319 3.027 9.457 1.00 33.02 N ATOM 424 CA ALA A 28 -3.593 3.689 9.765 1.00 60.34 C ATOM 425 C ALA A 28 -4.380 3.994 8.485 1.00 41.14 C ATOM 426 O ALA A 28 -5.608 3.916 8.458 1.00 11.32 O ATOM 427 CB ALA A 28 -3.353 4.967 10.557 1.00 41.34 C ATOM 0 H ALA A 28 -1.492 3.564 9.718 1.00 33.02 H new ATOM 0 HA ALA A 28 -4.187 3.007 10.374 1.00 60.34 H new ATOM 0 HB1 ALA A 28 -4.308 5.444 10.776 1.00 41.34 H new ATOM 0 HB2 ALA A 28 -2.845 4.726 11.491 1.00 41.34 H new ATOM 0 HB3 ALA A 28 -2.734 5.647 9.972 1.00 41.34 H new ATOM 433 N ALA A 29 -3.663 4.354 7.425 1.00 71.12 N ATOM 434 CA ALA A 29 -4.275 4.545 6.107 1.00 53.11 C ATOM 435 C ALA A 29 -4.672 3.195 5.497 1.00 54.44 C ATOM 436 O ALA A 29 -5.747 3.049 4.914 1.00 5.23 O ATOM 437 CB ALA A 29 -3.315 5.283 5.180 1.00 33.10 C ATOM 0 H ALA A 29 -2.657 4.520 7.449 1.00 71.12 H new ATOM 0 HA ALA A 29 -5.176 5.147 6.229 1.00 53.11 H new ATOM 0 HB1 ALA A 29 -3.783 5.418 4.205 1.00 33.10 H new ATOM 0 HB2 ALA A 29 -3.075 6.257 5.605 1.00 33.10 H new ATOM 0 HB3 ALA A 29 -2.400 4.702 5.066 1.00 33.10 H new ATOM 443 N LEU A 30 -3.789 2.212 5.652 1.00 64.41 N ATOM 444 CA LEU A 30 -4.020 0.854 5.155 1.00 13.21 C ATOM 445 C LEU A 30 -5.332 0.258 5.704 1.00 53.54 C ATOM 446 O LEU A 30 -6.193 -0.166 4.938 1.00 13.02 O ATOM 447 CB LEU A 30 -2.827 -0.035 5.535 1.00 70.33 C ATOM 448 CG LEU A 30 -2.858 -1.474 4.996 1.00 53.31 C ATOM 449 CD1 LEU A 30 -2.895 -1.481 3.472 1.00 50.24 C ATOM 450 CD2 LEU A 30 -1.655 -2.259 5.510 1.00 30.24 C ATOM 0 H LEU A 30 -2.893 2.332 6.125 1.00 64.41 H new ATOM 0 HA LEU A 30 -4.116 0.898 4.070 1.00 13.21 H new ATOM 0 HB2 LEU A 30 -1.915 0.445 5.180 1.00 70.33 H new ATOM 0 HB3 LEU A 30 -2.763 -0.077 6.622 1.00 70.33 H new ATOM 0 HG LEU A 30 -3.766 -1.957 5.357 1.00 53.31 H new ATOM 0 HD11 LEU A 30 -2.916 -2.510 3.113 1.00 50.24 H new ATOM 0 HD12 LEU A 30 -3.787 -0.958 3.127 1.00 50.24 H new ATOM 0 HD13 LEU A 30 -2.008 -0.980 3.084 1.00 50.24 H new ATOM 0 HD21 LEU A 30 -1.691 -3.276 5.120 1.00 30.24 H new ATOM 0 HD22 LEU A 30 -0.736 -1.775 5.178 1.00 30.24 H new ATOM 0 HD23 LEU A 30 -1.677 -2.287 6.599 1.00 30.24 H new ATOM 462 N GLU A 31 -5.486 0.254 7.031 1.00 34.35 N ATOM 463 CA GLU A 31 -6.689 -0.300 7.679 1.00 14.31 C ATOM 464 C GLU A 31 -7.974 0.392 7.186 1.00 13.32 C ATOM 465 O GLU A 31 -9.039 -0.226 7.117 1.00 41.40 O ATOM 466 CB GLU A 31 -6.593 -0.154 9.205 1.00 44.44 C ATOM 467 CG GLU A 31 -6.650 1.295 9.683 1.00 32.02 C ATOM 468 CD GLU A 31 -6.707 1.429 11.194 1.00 34.43 C ATOM 469 OE1 GLU A 31 -7.707 0.984 11.797 1.00 44.23 O ATOM 470 OE2 GLU A 31 -5.760 1.986 11.788 1.00 22.54 O ATOM 0 H GLU A 31 -4.795 0.627 7.682 1.00 34.35 H new ATOM 0 HA GLU A 31 -6.740 -1.355 7.411 1.00 14.31 H new ATOM 0 HB2 GLU A 31 -7.406 -0.713 9.667 1.00 44.44 H new ATOM 0 HB3 GLU A 31 -5.661 -0.605 9.547 1.00 44.44 H new ATOM 0 HG2 GLU A 31 -5.775 1.827 9.311 1.00 32.02 H new ATOM 0 HG3 GLU A 31 -7.525 1.779 9.249 1.00 32.02 H new ATOM 477 N GLN A 32 -7.864 1.680 6.860 1.00 0.01 N ATOM 478 CA GLN A 32 -9.007 2.469 6.389 1.00 25.11 C ATOM 479 C GLN A 32 -9.194 2.334 4.869 1.00 32.12 C ATOM 480 O GLN A 32 -10.171 2.829 4.304 1.00 33.44 O ATOM 481 CB GLN A 32 -8.820 3.941 6.792 1.00 33.11 C ATOM 482 CG GLN A 32 -8.781 4.148 8.303 1.00 42.12 C ATOM 483 CD GLN A 32 -8.624 5.606 8.711 1.00 10.40 C ATOM 484 OE1 GLN A 32 -9.602 6.321 8.895 1.00 70.33 O ATOM 485 NE2 GLN A 32 -7.396 6.055 8.864 1.00 24.00 N ATOM 0 H GLN A 32 -6.990 2.203 6.913 1.00 0.01 H new ATOM 0 HA GLN A 32 -9.912 2.084 6.860 1.00 25.11 H new ATOM 0 HB2 GLN A 32 -7.894 4.316 6.356 1.00 33.11 H new ATOM 0 HB3 GLN A 32 -9.633 4.533 6.371 1.00 33.11 H new ATOM 0 HG2 GLN A 32 -9.698 3.753 8.740 1.00 42.12 H new ATOM 0 HG3 GLN A 32 -7.955 3.571 8.720 1.00 42.12 H new ATOM 0 HE21 GLN A 32 -6.602 5.435 8.703 1.00 24.00 H new ATOM 0 HE22 GLN A 32 -7.238 7.023 9.143 1.00 24.00 H new ATOM 494 N SER A 33 -8.244 1.665 4.224 1.00 4.03 N ATOM 495 CA SER A 33 -8.326 1.350 2.790 1.00 14.42 C ATOM 496 C SER A 33 -8.641 -0.138 2.565 1.00 20.14 C ATOM 497 O SER A 33 -9.087 -0.540 1.485 1.00 50.20 O ATOM 498 CB SER A 33 -7.002 1.703 2.098 1.00 20.41 C ATOM 499 OG SER A 33 -7.021 1.340 0.727 1.00 23.45 O ATOM 0 H SER A 33 -7.394 1.324 4.674 1.00 4.03 H new ATOM 0 HA SER A 33 -9.134 1.943 2.362 1.00 14.42 H new ATOM 0 HB2 SER A 33 -6.816 2.773 2.190 1.00 20.41 H new ATOM 0 HB3 SER A 33 -6.180 1.192 2.600 1.00 20.41 H new ATOM 0 HG SER A 33 -6.121 1.073 0.447 1.00 23.45 H new ATOM 505 N SER A 34 -8.382 -0.954 3.583 1.00 61.41 N ATOM 506 CA SER A 34 -8.629 -2.402 3.516 1.00 24.32 C ATOM 507 C SER A 34 -10.112 -2.736 3.685 1.00 43.50 C ATOM 508 O SER A 34 -10.794 -2.172 4.542 1.00 20.41 O ATOM 509 CB SER A 34 -7.823 -3.141 4.597 1.00 60.44 C ATOM 510 OG SER A 34 -6.428 -3.062 4.354 1.00 35.14 O ATOM 0 H SER A 34 -7.998 -0.639 4.474 1.00 61.41 H new ATOM 0 HA SER A 34 -8.310 -2.731 2.527 1.00 24.32 H new ATOM 0 HB2 SER A 34 -8.047 -2.714 5.574 1.00 60.44 H new ATOM 0 HB3 SER A 34 -8.129 -4.187 4.628 1.00 60.44 H new ATOM 0 HG SER A 34 -6.120 -2.145 4.511 1.00 35.14 H new ATOM 516 N ASP A 35 -10.603 -3.664 2.873 1.00 45.22 N ATOM 517 CA ASP A 35 -11.977 -4.149 2.998 1.00 35.43 C ATOM 518 C ASP A 35 -12.097 -5.151 4.164 1.00 10.31 C ATOM 519 O ASP A 35 -11.154 -5.324 4.942 1.00 74.23 O ATOM 520 CB ASP A 35 -12.420 -4.776 1.674 1.00 72.01 C ATOM 521 CG ASP A 35 -12.389 -3.772 0.533 1.00 71.40 C ATOM 522 OD1 ASP A 35 -13.123 -2.765 0.602 1.00 11.53 O ATOM 523 OD2 ASP A 35 -11.616 -3.975 -0.430 1.00 72.23 O ATOM 0 H ASP A 35 -10.071 -4.098 2.119 1.00 45.22 H new ATOM 0 HA ASP A 35 -12.636 -3.310 3.222 1.00 35.43 H new ATOM 0 HB2 ASP A 35 -11.769 -5.617 1.435 1.00 72.01 H new ATOM 0 HB3 ASP A 35 -13.429 -5.174 1.780 1.00 72.01 H new ATOM 528 N ASP A 36 -13.245 -5.816 4.284 1.00 30.33 N ATOM 529 CA ASP A 36 -13.520 -6.672 5.447 1.00 20.42 C ATOM 530 C ASP A 36 -12.501 -7.823 5.596 1.00 23.23 C ATOM 531 O ASP A 36 -12.191 -8.241 6.708 1.00 70.33 O ATOM 532 CB ASP A 36 -14.943 -7.232 5.370 1.00 64.31 C ATOM 533 CG ASP A 36 -15.358 -7.905 6.667 1.00 24.15 C ATOM 534 OD1 ASP A 36 -15.743 -7.186 7.613 1.00 31.13 O ATOM 535 OD2 ASP A 36 -15.288 -9.146 6.756 1.00 1.02 O ATOM 0 H ASP A 36 -13.998 -5.782 3.597 1.00 30.33 H new ATOM 0 HA ASP A 36 -13.422 -6.044 6.332 1.00 20.42 H new ATOM 0 HB2 ASP A 36 -15.639 -6.425 5.141 1.00 64.31 H new ATOM 0 HB3 ASP A 36 -15.007 -7.950 4.552 1.00 64.31 H new ATOM 540 N ALA A 37 -11.974 -8.323 4.477 1.00 44.31 N ATOM 541 CA ALA A 37 -11.006 -9.433 4.509 1.00 3.04 C ATOM 542 C ALA A 37 -9.590 -8.957 4.881 1.00 65.43 C ATOM 543 O ALA A 37 -8.667 -9.767 5.014 1.00 34.53 O ATOM 544 CB ALA A 37 -10.993 -10.165 3.168 1.00 12.11 C ATOM 0 H ALA A 37 -12.196 -7.983 3.541 1.00 44.31 H new ATOM 0 HA ALA A 37 -11.327 -10.124 5.288 1.00 3.04 H new ATOM 0 HB1 ALA A 37 -10.273 -10.983 3.207 1.00 12.11 H new ATOM 0 HB2 ALA A 37 -11.986 -10.565 2.962 1.00 12.11 H new ATOM 0 HB3 ALA A 37 -10.711 -9.470 2.377 1.00 12.11 H new ATOM 550 N GLY A 38 -9.418 -7.643 5.048 1.00 72.33 N ATOM 551 CA GLY A 38 -8.127 -7.091 5.456 1.00 12.45 C ATOM 552 C GLY A 38 -7.254 -6.637 4.287 1.00 31.40 C ATOM 553 O GLY A 38 -6.198 -6.036 4.492 1.00 14.20 O ATOM 0 H GLY A 38 -10.151 -6.948 4.908 1.00 72.33 H new ATOM 0 HA2 GLY A 38 -8.298 -6.244 6.120 1.00 12.45 H new ATOM 0 HA3 GLY A 38 -7.586 -7.843 6.031 1.00 12.45 H new ATOM 557 N TRP A 39 -7.696 -6.910 3.064 1.00 34.23 N ATOM 558 CA TRP A 39 -6.926 -6.560 1.864 1.00 31.31 C ATOM 559 C TRP A 39 -7.264 -5.152 1.346 1.00 53.23 C ATOM 560 O TRP A 39 -8.428 -4.824 1.107 1.00 14.44 O ATOM 561 CB TRP A 39 -7.172 -7.593 0.757 1.00 44.23 C ATOM 562 CG TRP A 39 -6.586 -8.942 1.055 1.00 62.53 C ATOM 563 CD1 TRP A 39 -7.252 -10.072 1.442 1.00 15.13 C ATOM 564 CD2 TRP A 39 -5.200 -9.296 0.990 1.00 31.44 C ATOM 565 NE1 TRP A 39 -6.362 -11.107 1.611 1.00 44.33 N ATOM 566 CE2 TRP A 39 -5.097 -10.654 1.338 1.00 10.13 C ATOM 567 CE3 TRP A 39 -4.040 -8.594 0.660 1.00 24.02 C ATOM 568 CZ2 TRP A 39 -3.874 -11.318 1.374 1.00 70.22 C ATOM 569 CZ3 TRP A 39 -2.829 -9.251 0.697 1.00 31.05 C ATOM 570 CH2 TRP A 39 -2.755 -10.603 1.047 1.00 35.01 C ATOM 0 H TRP A 39 -8.584 -7.373 2.872 1.00 34.23 H new ATOM 0 HA TRP A 39 -5.873 -6.564 2.145 1.00 31.31 H new ATOM 0 HB2 TRP A 39 -8.246 -7.699 0.602 1.00 44.23 H new ATOM 0 HB3 TRP A 39 -6.750 -7.221 -0.177 1.00 44.23 H new ATOM 0 HD1 TRP A 39 -8.319 -10.141 1.593 1.00 15.13 H new ATOM 0 HE1 TRP A 39 -6.604 -12.057 1.893 1.00 44.33 H new ATOM 0 HE3 TRP A 39 -4.090 -7.552 0.380 1.00 24.02 H new ATOM 0 HZ2 TRP A 39 -3.811 -12.360 1.650 1.00 70.22 H new ATOM 0 HZ3 TRP A 39 -1.924 -8.714 0.452 1.00 31.05 H new ATOM 0 HH2 TRP A 39 -1.793 -11.093 1.059 1.00 35.01 H new ATOM 581 N ALA A 40 -6.235 -4.328 1.176 1.00 34.44 N ATOM 582 CA ALA A 40 -6.390 -2.989 0.600 1.00 74.10 C ATOM 583 C ALA A 40 -5.800 -2.915 -0.811 1.00 12.02 C ATOM 584 O ALA A 40 -4.639 -3.262 -1.026 1.00 42.22 O ATOM 585 CB ALA A 40 -5.725 -1.950 1.493 1.00 45.23 C ATOM 0 H ALA A 40 -5.276 -4.563 1.430 1.00 34.44 H new ATOM 0 HA ALA A 40 -7.457 -2.779 0.533 1.00 74.10 H new ATOM 0 HB1 ALA A 40 -5.848 -0.960 1.053 1.00 45.23 H new ATOM 0 HB2 ALA A 40 -6.188 -1.969 2.480 1.00 45.23 H new ATOM 0 HB3 ALA A 40 -4.663 -2.176 1.586 1.00 45.23 H new ATOM 591 N ASN A 41 -6.603 -2.476 -1.773 1.00 2.41 N ATOM 592 CA ASN A 41 -6.119 -2.280 -3.140 1.00 51.22 C ATOM 593 C ASN A 41 -5.058 -1.166 -3.170 1.00 73.44 C ATOM 594 O ASN A 41 -5.290 -0.070 -2.660 1.00 61.14 O ATOM 595 CB ASN A 41 -7.292 -1.936 -4.071 1.00 64.24 C ATOM 596 CG ASN A 41 -6.892 -1.860 -5.541 1.00 61.04 C ATOM 597 OD1 ASN A 41 -5.772 -1.496 -5.883 1.00 30.04 O ATOM 598 ND2 ASN A 41 -7.802 -2.205 -6.427 1.00 31.45 N ATOM 0 H ASN A 41 -7.588 -2.249 -1.636 1.00 2.41 H new ATOM 0 HA ASN A 41 -5.660 -3.204 -3.491 1.00 51.22 H new ATOM 0 HB2 ASN A 41 -8.073 -2.687 -3.952 1.00 64.24 H new ATOM 0 HB3 ASN A 41 -7.719 -0.980 -3.768 1.00 64.24 H new ATOM 0 HD21 ASN A 41 -7.582 -2.173 -7.423 1.00 31.45 H new ATOM 0 HD22 ASN A 41 -8.727 -2.504 -6.118 1.00 31.45 H new ATOM 605 N LEU A 42 -3.901 -1.460 -3.768 1.00 23.42 N ATOM 606 CA LEU A 42 -2.786 -0.500 -3.854 1.00 11.13 C ATOM 607 C LEU A 42 -3.256 0.909 -4.276 1.00 32.31 C ATOM 608 O LEU A 42 -2.810 1.915 -3.719 1.00 11.24 O ATOM 609 CB LEU A 42 -1.731 -1.015 -4.844 1.00 35.12 C ATOM 610 CG LEU A 42 -0.493 -0.117 -5.020 1.00 25.11 C ATOM 611 CD1 LEU A 42 0.289 0.006 -3.713 1.00 23.30 C ATOM 612 CD2 LEU A 42 0.399 -0.651 -6.133 1.00 35.01 C ATOM 0 H LEU A 42 -3.706 -2.361 -4.204 1.00 23.42 H new ATOM 0 HA LEU A 42 -2.353 -0.414 -2.858 1.00 11.13 H new ATOM 0 HB2 LEU A 42 -1.400 -2.000 -4.515 1.00 35.12 H new ATOM 0 HB3 LEU A 42 -2.204 -1.146 -5.817 1.00 35.12 H new ATOM 0 HG LEU A 42 -0.835 0.880 -5.299 1.00 25.11 H new ATOM 0 HD11 LEU A 42 1.158 0.646 -3.868 1.00 23.30 H new ATOM 0 HD12 LEU A 42 -0.351 0.442 -2.946 1.00 23.30 H new ATOM 0 HD13 LEU A 42 0.619 -0.982 -3.392 1.00 23.30 H new ATOM 0 HD21 LEU A 42 1.269 -0.004 -6.244 1.00 35.01 H new ATOM 0 HD22 LEU A 42 0.726 -1.660 -5.884 1.00 35.01 H new ATOM 0 HD23 LEU A 42 -0.160 -0.671 -7.069 1.00 35.01 H new ATOM 624 N GLY A 43 -4.163 0.967 -5.254 1.00 3.21 N ATOM 625 CA GLY A 43 -4.711 2.245 -5.706 1.00 5.35 C ATOM 626 C GLY A 43 -5.413 3.021 -4.592 1.00 32.11 C ATOM 627 O GLY A 43 -5.296 4.245 -4.506 1.00 54.44 O ATOM 0 H GLY A 43 -4.530 0.151 -5.744 1.00 3.21 H new ATOM 0 HA2 GLY A 43 -3.906 2.855 -6.115 1.00 5.35 H new ATOM 0 HA3 GLY A 43 -5.417 2.065 -6.517 1.00 5.35 H new ATOM 631 N ASN A 44 -6.142 2.305 -3.736 1.00 24.32 N ATOM 632 CA ASN A 44 -6.835 2.918 -2.598 1.00 42.43 C ATOM 633 C ASN A 44 -5.846 3.252 -1.468 1.00 61.32 C ATOM 634 O ASN A 44 -5.965 4.283 -0.801 1.00 72.21 O ATOM 635 CB ASN A 44 -7.936 1.982 -2.078 1.00 61.43 C ATOM 636 CG ASN A 44 -8.941 1.608 -3.152 1.00 1.22 C ATOM 637 OD1 ASN A 44 -9.170 2.360 -4.089 1.00 4.24 O ATOM 638 ND2 ASN A 44 -9.560 0.452 -3.019 1.00 13.35 N ATOM 0 H ASN A 44 -6.269 1.296 -3.808 1.00 24.32 H new ATOM 0 HA ASN A 44 -7.292 3.847 -2.939 1.00 42.43 H new ATOM 0 HB2 ASN A 44 -7.479 1.075 -1.682 1.00 61.43 H new ATOM 0 HB3 ASN A 44 -8.457 2.464 -1.251 1.00 61.43 H new ATOM 0 HD21 ASN A 44 -10.253 0.162 -3.709 1.00 13.35 H new ATOM 0 HD22 ASN A 44 -9.346 -0.153 -2.226 1.00 13.35 H new ATOM 645 N PHE A 45 -4.864 2.373 -1.270 1.00 30.42 N ATOM 646 CA PHE A 45 -3.822 2.573 -0.259 1.00 54.34 C ATOM 647 C PHE A 45 -3.058 3.885 -0.497 1.00 61.41 C ATOM 648 O PHE A 45 -2.980 4.737 0.388 1.00 53.11 O ATOM 649 CB PHE A 45 -2.851 1.382 -0.269 1.00 75.31 C ATOM 650 CG PHE A 45 -1.664 1.546 0.648 1.00 62.35 C ATOM 651 CD1 PHE A 45 -1.834 1.606 2.024 1.00 34.04 C ATOM 652 CD2 PHE A 45 -0.376 1.629 0.134 1.00 64.11 C ATOM 653 CE1 PHE A 45 -0.747 1.746 2.865 1.00 4.24 C ATOM 654 CE2 PHE A 45 0.712 1.771 0.972 1.00 22.30 C ATOM 655 CZ PHE A 45 0.527 1.828 2.338 1.00 74.23 C ATOM 0 H PHE A 45 -4.767 1.508 -1.801 1.00 30.42 H new ATOM 0 HA PHE A 45 -4.302 2.639 0.718 1.00 54.34 H new ATOM 0 HB2 PHE A 45 -3.395 0.481 0.016 1.00 75.31 H new ATOM 0 HB3 PHE A 45 -2.492 1.229 -1.287 1.00 75.31 H new ATOM 0 HD1 PHE A 45 -2.828 1.543 2.442 1.00 34.04 H new ATOM 0 HD2 PHE A 45 -0.224 1.582 -0.934 1.00 64.11 H new ATOM 0 HE1 PHE A 45 -0.893 1.791 3.934 1.00 4.24 H new ATOM 0 HE2 PHE A 45 1.707 1.837 0.558 1.00 22.30 H new ATOM 0 HZ PHE A 45 1.378 1.937 2.995 1.00 74.23 H new ATOM 665 N GLY A 46 -2.502 4.043 -1.700 1.00 0.14 N ATOM 666 CA GLY A 46 -1.789 5.271 -2.047 1.00 33.12 C ATOM 667 C GLY A 46 -2.673 6.513 -1.982 1.00 51.14 C ATOM 668 O GLY A 46 -2.196 7.619 -1.714 1.00 72.14 O ATOM 0 H GLY A 46 -2.531 3.344 -2.442 1.00 0.14 H new ATOM 0 HA2 GLY A 46 -0.944 5.397 -1.370 1.00 33.12 H new ATOM 0 HA3 GLY A 46 -1.380 5.175 -3.053 1.00 33.12 H new ATOM 672 N ASN A 47 -3.965 6.327 -2.226 1.00 24.34 N ATOM 673 CA ASN A 47 -4.939 7.417 -2.155 1.00 51.30 C ATOM 674 C ASN A 47 -5.104 7.913 -0.708 1.00 61.02 C ATOM 675 O ASN A 47 -4.848 9.078 -0.404 1.00 74.44 O ATOM 676 CB ASN A 47 -6.285 6.938 -2.721 1.00 11.44 C ATOM 677 CG ASN A 47 -7.325 8.044 -2.851 1.00 13.00 C ATOM 678 OD1 ASN A 47 -7.374 8.980 -2.059 1.00 13.55 O ATOM 679 ND2 ASN A 47 -8.164 7.946 -3.861 1.00 3.32 N ATOM 0 H ASN A 47 -4.368 5.424 -2.477 1.00 24.34 H new ATOM 0 HA ASN A 47 -4.577 8.254 -2.752 1.00 51.30 H new ATOM 0 HB2 ASN A 47 -6.118 6.492 -3.701 1.00 11.44 H new ATOM 0 HB3 ASN A 47 -6.681 6.153 -2.077 1.00 11.44 H new ATOM 0 HD21 ASN A 47 -8.879 8.660 -4.001 1.00 3.32 H new ATOM 0 HD22 ASN A 47 -8.099 7.156 -4.503 1.00 3.32 H new ATOM 686 N TYR A 48 -5.505 7.016 0.191 1.00 51.12 N ATOM 687 CA TYR A 48 -5.774 7.398 1.581 1.00 31.34 C ATOM 688 C TYR A 48 -4.474 7.715 2.347 1.00 13.32 C ATOM 689 O TYR A 48 -4.474 8.520 3.282 1.00 23.51 O ATOM 690 CB TYR A 48 -6.566 6.293 2.300 1.00 41.23 C ATOM 691 CG TYR A 48 -7.427 6.819 3.438 1.00 44.40 C ATOM 692 CD1 TYR A 48 -8.716 7.281 3.192 1.00 2.32 C ATOM 693 CD2 TYR A 48 -6.954 6.869 4.746 1.00 23.43 C ATOM 694 CE1 TYR A 48 -9.504 7.774 4.211 1.00 61.02 C ATOM 695 CE2 TYR A 48 -7.738 7.363 5.771 1.00 35.43 C ATOM 696 CZ TYR A 48 -9.011 7.813 5.498 1.00 15.34 C ATOM 697 OH TYR A 48 -9.798 8.310 6.515 1.00 72.11 O ATOM 0 H TYR A 48 -5.651 6.027 -0.013 1.00 51.12 H new ATOM 0 HA TYR A 48 -6.375 8.307 1.562 1.00 31.34 H new ATOM 0 HB2 TYR A 48 -7.202 5.782 1.578 1.00 41.23 H new ATOM 0 HB3 TYR A 48 -5.870 5.552 2.692 1.00 41.23 H new ATOM 0 HD1 TYR A 48 -9.106 7.253 2.185 1.00 2.32 H new ATOM 0 HD2 TYR A 48 -5.957 6.516 4.964 1.00 23.43 H new ATOM 0 HE1 TYR A 48 -10.503 8.128 4.002 1.00 61.02 H new ATOM 0 HE2 TYR A 48 -7.355 7.396 6.780 1.00 35.43 H new ATOM 0 HH TYR A 48 -9.760 7.704 7.284 1.00 72.11 H new ATOM 707 N LEU A 49 -3.371 7.084 1.944 1.00 52.35 N ATOM 708 CA LEU A 49 -2.062 7.325 2.572 1.00 52.41 C ATOM 709 C LEU A 49 -1.617 8.788 2.418 1.00 0.53 C ATOM 710 O LEU A 49 -1.124 9.400 3.370 1.00 31.43 O ATOM 711 CB LEU A 49 -1.005 6.385 1.970 1.00 42.05 C ATOM 712 CG LEU A 49 0.423 6.548 2.522 1.00 74.31 C ATOM 713 CD1 LEU A 49 0.447 6.367 4.038 1.00 22.24 C ATOM 714 CD2 LEU A 49 1.371 5.560 1.847 1.00 14.44 C ATOM 0 H LEU A 49 -3.353 6.402 1.186 1.00 52.35 H new ATOM 0 HA LEU A 49 -2.164 7.120 3.638 1.00 52.41 H new ATOM 0 HB2 LEU A 49 -1.324 5.356 2.135 1.00 42.05 H new ATOM 0 HB3 LEU A 49 -0.978 6.541 0.892 1.00 42.05 H new ATOM 0 HG LEU A 49 0.761 7.560 2.299 1.00 74.31 H new ATOM 0 HD11 LEU A 49 1.467 6.487 4.403 1.00 22.24 H new ATOM 0 HD12 LEU A 49 -0.195 7.114 4.504 1.00 22.24 H new ATOM 0 HD13 LEU A 49 0.086 5.370 4.291 1.00 22.24 H new ATOM 0 HD21 LEU A 49 2.376 5.688 2.248 1.00 14.44 H new ATOM 0 HD22 LEU A 49 1.031 4.542 2.037 1.00 14.44 H new ATOM 0 HD23 LEU A 49 1.383 5.743 0.773 1.00 14.44 H new ATOM 726 N ASN A 50 -1.808 9.349 1.225 1.00 64.53 N ATOM 727 CA ASN A 50 -1.417 10.737 0.949 1.00 50.22 C ATOM 728 C ASN A 50 -2.275 11.738 1.751 1.00 3.54 C ATOM 729 O ASN A 50 -1.950 12.921 1.840 1.00 71.21 O ATOM 730 CB ASN A 50 -1.517 11.019 -0.557 1.00 54.20 C ATOM 731 CG ASN A 50 -0.949 12.376 -0.942 1.00 52.43 C ATOM 732 OD1 ASN A 50 -1.665 13.370 -1.011 1.00 65.12 O ATOM 733 ND2 ASN A 50 0.347 12.432 -1.188 1.00 64.14 N ATOM 0 H ASN A 50 -2.231 8.867 0.432 1.00 64.53 H new ATOM 0 HA ASN A 50 -0.383 10.869 1.267 1.00 50.22 H new ATOM 0 HB2 ASN A 50 -0.986 10.240 -1.104 1.00 54.20 H new ATOM 0 HB3 ASN A 50 -2.562 10.968 -0.863 1.00 54.20 H new ATOM 0 HD21 ASN A 50 0.780 13.320 -1.444 1.00 64.14 H new ATOM 0 HD22 ASN A 50 0.916 11.588 -1.122 1.00 64.14 H new ATOM 740 N LYS A 51 -3.379 11.259 2.324 1.00 62.13 N ATOM 741 CA LYS A 51 -4.229 12.096 3.180 1.00 72.12 C ATOM 742 C LYS A 51 -3.624 12.247 4.586 1.00 53.42 C ATOM 743 O LYS A 51 -3.576 13.345 5.141 1.00 32.31 O ATOM 744 CB LYS A 51 -5.639 11.500 3.281 1.00 11.43 C ATOM 745 CG LYS A 51 -6.318 11.298 1.929 1.00 5.40 C ATOM 746 CD LYS A 51 -7.755 10.808 2.085 1.00 2.34 C ATOM 747 CE LYS A 51 -8.624 11.820 2.829 1.00 42.31 C ATOM 748 NZ LYS A 51 -8.666 13.138 2.142 1.00 14.24 N ATOM 0 H LYS A 51 -3.707 10.300 2.213 1.00 62.13 H new ATOM 0 HA LYS A 51 -4.290 13.084 2.724 1.00 72.12 H new ATOM 0 HB2 LYS A 51 -5.582 10.541 3.796 1.00 11.43 H new ATOM 0 HB3 LYS A 51 -6.258 12.155 3.894 1.00 11.43 H new ATOM 0 HG2 LYS A 51 -6.312 12.237 1.375 1.00 5.40 H new ATOM 0 HG3 LYS A 51 -5.750 10.577 1.341 1.00 5.40 H new ATOM 0 HD2 LYS A 51 -8.182 10.617 1.101 1.00 2.34 H new ATOM 0 HD3 LYS A 51 -7.759 9.860 2.624 1.00 2.34 H new ATOM 0 HE2 LYS A 51 -9.637 11.428 2.921 1.00 42.31 H new ATOM 0 HE3 LYS A 51 -8.240 11.952 3.841 1.00 42.31 H new ATOM 0 HZ1 LYS A 51 -9.405 13.730 2.572 1.00 14.24 H new ATOM 0 HZ2 LYS A 51 -7.744 13.610 2.240 1.00 14.24 H new ATOM 0 HZ3 LYS A 51 -8.878 12.997 1.134 1.00 14.24 H new ATOM 762 N LEU A 52 -3.170 11.132 5.161 1.00 55.32 N ATOM 763 CA LEU A 52 -2.544 11.152 6.491 1.00 32.43 C ATOM 764 C LEU A 52 -1.109 11.695 6.418 1.00 3.00 C ATOM 765 O LEU A 52 -0.700 12.529 7.234 1.00 32.12 O ATOM 766 CB LEU A 52 -2.538 9.743 7.108 1.00 21.31 C ATOM 767 CG LEU A 52 -3.908 9.045 7.182 1.00 31.31 C ATOM 768 CD1 LEU A 52 -3.792 7.710 7.912 1.00 65.34 C ATOM 769 CD2 LEU A 52 -4.945 9.941 7.856 1.00 15.53 C ATOM 0 H LEU A 52 -3.222 10.208 4.733 1.00 55.32 H new ATOM 0 HA LEU A 52 -3.133 11.815 7.125 1.00 32.43 H new ATOM 0 HB2 LEU A 52 -1.861 9.115 6.529 1.00 21.31 H new ATOM 0 HB3 LEU A 52 -2.129 9.809 8.116 1.00 21.31 H new ATOM 0 HG LEU A 52 -4.244 8.852 6.163 1.00 31.31 H new ATOM 0 HD11 LEU A 52 -4.771 7.232 7.954 1.00 65.34 H new ATOM 0 HD12 LEU A 52 -3.095 7.063 7.379 1.00 65.34 H new ATOM 0 HD13 LEU A 52 -3.427 7.880 8.925 1.00 65.34 H new ATOM 0 HD21 LEU A 52 -5.903 9.423 7.895 1.00 15.53 H new ATOM 0 HD22 LEU A 52 -4.619 10.177 8.869 1.00 15.53 H new ATOM 0 HD23 LEU A 52 -5.054 10.864 7.286 1.00 15.53 H new ATOM 781 N GLN A 53 -0.348 11.210 5.437 1.00 44.53 N ATOM 782 CA GLN A 53 1.036 11.653 5.214 1.00 51.43 C ATOM 783 C GLN A 53 1.223 12.181 3.775 1.00 53.43 C ATOM 784 O GLN A 53 1.675 11.450 2.891 1.00 72.21 O ATOM 785 CB GLN A 53 2.020 10.499 5.476 1.00 15.35 C ATOM 786 CG GLN A 53 2.087 10.040 6.929 1.00 31.32 C ATOM 787 CD GLN A 53 2.632 11.112 7.863 1.00 3.40 C ATOM 788 OE1 GLN A 53 3.837 11.217 8.070 1.00 45.31 O ATOM 789 NE2 GLN A 53 1.756 11.913 8.432 1.00 2.23 N ATOM 0 H GLN A 53 -0.668 10.502 4.775 1.00 44.53 H new ATOM 0 HA GLN A 53 1.243 12.464 5.912 1.00 51.43 H new ATOM 0 HB2 GLN A 53 1.738 9.650 4.853 1.00 15.35 H new ATOM 0 HB3 GLN A 53 3.016 10.809 5.160 1.00 15.35 H new ATOM 0 HG2 GLN A 53 1.090 9.750 7.260 1.00 31.32 H new ATOM 0 HG3 GLN A 53 2.716 9.152 6.996 1.00 31.32 H new ATOM 0 HE21 GLN A 53 0.761 11.800 8.239 1.00 2.23 H new ATOM 0 HE22 GLN A 53 2.072 12.647 9.066 1.00 2.23 H new ATOM 798 N PRO A 54 0.868 13.458 3.517 1.00 10.01 N ATOM 799 CA PRO A 54 1.011 14.070 2.180 1.00 71.42 C ATOM 800 C PRO A 54 2.480 14.225 1.756 1.00 1.41 C ATOM 801 O PRO A 54 2.800 14.256 0.566 1.00 13.30 O ATOM 802 CB PRO A 54 0.352 15.456 2.331 1.00 34.21 C ATOM 803 CG PRO A 54 -0.398 15.413 3.623 1.00 73.43 C ATOM 804 CD PRO A 54 0.300 14.402 4.491 1.00 3.23 C ATOM 0 HA PRO A 54 0.553 13.450 1.409 1.00 71.42 H new ATOM 0 HB2 PRO A 54 1.102 16.247 2.341 1.00 34.21 H new ATOM 0 HB3 PRO A 54 -0.318 15.663 1.497 1.00 34.21 H new ATOM 0 HG2 PRO A 54 -0.406 16.393 4.099 1.00 73.43 H new ATOM 0 HG3 PRO A 54 -1.438 15.130 3.458 1.00 73.43 H new ATOM 0 HD2 PRO A 54 1.075 14.863 5.103 1.00 3.23 H new ATOM 0 HD3 PRO A 54 -0.393 13.909 5.172 1.00 3.23 H new ATOM 812 N ASP A 55 3.369 14.320 2.741 1.00 1.33 N ATOM 813 CA ASP A 55 4.793 14.529 2.484 1.00 1.43 C ATOM 814 C ASP A 55 5.537 13.192 2.257 1.00 61.03 C ATOM 815 O ASP A 55 6.741 13.172 1.988 1.00 12.20 O ATOM 816 CB ASP A 55 5.414 15.306 3.655 1.00 24.25 C ATOM 817 CG ASP A 55 6.839 15.753 3.380 1.00 41.20 C ATOM 818 OD1 ASP A 55 7.034 16.612 2.496 1.00 43.14 O ATOM 819 OD2 ASP A 55 7.770 15.252 4.047 1.00 4.40 O ATOM 0 H ASP A 55 3.128 14.255 3.730 1.00 1.33 H new ATOM 0 HA ASP A 55 4.896 15.110 1.568 1.00 1.43 H new ATOM 0 HB2 ASP A 55 4.800 16.180 3.870 1.00 24.25 H new ATOM 0 HB3 ASP A 55 5.401 14.680 4.547 1.00 24.25 H new ATOM 824 N PHE A 56 4.816 12.078 2.351 1.00 24.15 N ATOM 825 CA PHE A 56 5.412 10.747 2.170 1.00 21.23 C ATOM 826 C PHE A 56 5.322 10.294 0.702 1.00 21.33 C ATOM 827 O PHE A 56 4.264 9.862 0.237 1.00 42.44 O ATOM 828 CB PHE A 56 4.709 9.733 3.086 1.00 22.03 C ATOM 829 CG PHE A 56 5.278 8.336 3.020 1.00 33.24 C ATOM 830 CD1 PHE A 56 6.427 8.005 3.725 1.00 64.21 C ATOM 831 CD2 PHE A 56 4.661 7.352 2.259 1.00 71.22 C ATOM 832 CE1 PHE A 56 6.949 6.726 3.672 1.00 22.05 C ATOM 833 CE2 PHE A 56 5.179 6.072 2.203 1.00 11.21 C ATOM 834 CZ PHE A 56 6.323 5.758 2.909 1.00 4.13 C ATOM 0 H PHE A 56 3.816 12.065 2.552 1.00 24.15 H new ATOM 0 HA PHE A 56 6.467 10.803 2.439 1.00 21.23 H new ATOM 0 HB2 PHE A 56 4.768 10.088 4.115 1.00 22.03 H new ATOM 0 HB3 PHE A 56 3.652 9.695 2.822 1.00 22.03 H new ATOM 0 HD1 PHE A 56 6.920 8.757 4.323 1.00 64.21 H new ATOM 0 HD2 PHE A 56 3.765 7.590 1.704 1.00 71.22 H new ATOM 0 HE1 PHE A 56 7.844 6.484 4.226 1.00 22.05 H new ATOM 0 HE2 PHE A 56 4.689 5.317 1.607 1.00 11.21 H new ATOM 0 HZ PHE A 56 6.728 4.758 2.865 1.00 4.13 H new ATOM 844 N ASP A 57 6.429 10.422 -0.032 1.00 1.03 N ATOM 845 CA ASP A 57 6.484 9.996 -1.439 1.00 23.52 C ATOM 846 C ASP A 57 7.676 9.051 -1.706 1.00 61.13 C ATOM 847 O ASP A 57 8.769 9.235 -1.165 1.00 72.21 O ATOM 848 CB ASP A 57 6.547 11.213 -2.368 1.00 4.14 C ATOM 849 CG ASP A 57 6.487 10.806 -3.831 1.00 71.32 C ATOM 850 OD1 ASP A 57 5.477 10.195 -4.239 1.00 42.32 O ATOM 851 OD2 ASP A 57 7.453 11.076 -4.572 1.00 4.22 O ATOM 0 H ASP A 57 7.301 10.817 0.321 1.00 1.03 H new ATOM 0 HA ASP A 57 5.570 9.440 -1.648 1.00 23.52 H new ATOM 0 HB2 ASP A 57 5.720 11.886 -2.143 1.00 4.14 H new ATOM 0 HB3 ASP A 57 7.467 11.766 -2.181 1.00 4.14 H new ATOM 856 N SER A 58 7.452 8.049 -2.558 1.00 64.13 N ATOM 857 CA SER A 58 8.458 7.008 -2.850 1.00 50.54 C ATOM 858 C SER A 58 9.793 7.587 -3.360 1.00 64.14 C ATOM 859 O SER A 58 10.861 7.026 -3.089 1.00 73.11 O ATOM 860 CB SER A 58 7.907 6.019 -3.885 1.00 62.04 C ATOM 861 OG SER A 58 6.675 5.457 -3.457 1.00 11.24 O ATOM 0 H SER A 58 6.576 7.930 -3.066 1.00 64.13 H new ATOM 0 HA SER A 58 8.662 6.500 -1.908 1.00 50.54 H new ATOM 0 HB2 SER A 58 7.765 6.528 -4.838 1.00 62.04 H new ATOM 0 HB3 SER A 58 8.633 5.224 -4.054 1.00 62.04 H new ATOM 0 HG SER A 58 6.012 5.537 -4.175 1.00 11.24 H new ATOM 867 N ARG A 59 9.736 8.707 -4.090 1.00 62.32 N ATOM 868 CA ARG A 59 10.949 9.313 -4.673 1.00 44.41 C ATOM 869 C ARG A 59 11.967 9.725 -3.597 1.00 42.32 C ATOM 870 O ARG A 59 13.162 9.839 -3.876 1.00 52.14 O ATOM 871 CB ARG A 59 10.587 10.529 -5.540 1.00 35.42 C ATOM 872 CG ARG A 59 9.718 10.197 -6.753 1.00 74.11 C ATOM 873 CD ARG A 59 10.404 9.233 -7.721 1.00 43.15 C ATOM 874 NE ARG A 59 11.718 9.714 -8.157 1.00 54.30 N ATOM 875 CZ ARG A 59 12.083 9.848 -9.404 1.00 50.10 C ATOM 876 NH1 ARG A 59 11.257 9.596 -10.369 1.00 1.45 N ATOM 877 NH2 ARG A 59 13.277 10.246 -9.681 1.00 72.12 N ATOM 0 H ARG A 59 8.873 9.212 -4.293 1.00 62.32 H new ATOM 0 HA ARG A 59 11.414 8.550 -5.297 1.00 44.41 H new ATOM 0 HB2 ARG A 59 10.065 11.259 -4.922 1.00 35.42 H new ATOM 0 HB3 ARG A 59 11.507 11.002 -5.884 1.00 35.42 H new ATOM 0 HG2 ARG A 59 8.779 9.759 -6.414 1.00 74.11 H new ATOM 0 HG3 ARG A 59 9.468 11.118 -7.279 1.00 74.11 H new ATOM 0 HD2 ARG A 59 10.518 8.261 -7.241 1.00 43.15 H new ATOM 0 HD3 ARG A 59 9.767 9.085 -8.593 1.00 43.15 H new ATOM 0 HE ARG A 59 12.395 9.962 -7.436 1.00 54.30 H new ATOM 0 HH11 ARG A 59 10.307 9.288 -10.160 1.00 1.45 H new ATOM 0 HH12 ARG A 59 11.556 9.705 -11.338 1.00 1.45 H new ATOM 0 HH21 ARG A 59 13.933 10.455 -8.928 1.00 72.12 H new ATOM 0 HH22 ARG A 59 13.567 10.352 -10.653 1.00 72.12 H new ATOM 891 N LEU A 60 11.495 9.936 -2.369 1.00 41.52 N ATOM 892 CA LEU A 60 12.374 10.301 -1.248 1.00 21.43 C ATOM 893 C LEU A 60 13.330 9.155 -0.885 1.00 41.22 C ATOM 894 O LEU A 60 14.414 9.381 -0.351 1.00 63.22 O ATOM 895 CB LEU A 60 11.533 10.677 -0.018 1.00 52.24 C ATOM 896 CG LEU A 60 10.581 11.870 -0.206 1.00 63.31 C ATOM 897 CD1 LEU A 60 9.744 12.090 1.052 1.00 32.32 C ATOM 898 CD2 LEU A 60 11.362 13.133 -0.561 1.00 32.52 C ATOM 0 H LEU A 60 10.509 9.861 -2.120 1.00 41.52 H new ATOM 0 HA LEU A 60 12.971 11.157 -1.562 1.00 21.43 H new ATOM 0 HB2 LEU A 60 10.945 9.808 0.277 1.00 52.24 H new ATOM 0 HB3 LEU A 60 12.209 10.900 0.808 1.00 52.24 H new ATOM 0 HG LEU A 60 9.907 11.644 -1.032 1.00 63.31 H new ATOM 0 HD11 LEU A 60 9.076 12.938 0.901 1.00 32.32 H new ATOM 0 HD12 LEU A 60 9.155 11.196 1.258 1.00 32.32 H new ATOM 0 HD13 LEU A 60 10.403 12.293 1.896 1.00 32.32 H new ATOM 0 HD21 LEU A 60 10.670 13.965 -0.690 1.00 32.52 H new ATOM 0 HD22 LEU A 60 12.063 13.365 0.241 1.00 32.52 H new ATOM 0 HD23 LEU A 60 11.912 12.972 -1.488 1.00 32.52 H new ATOM 910 N TYR A 61 12.918 7.924 -1.184 1.00 44.22 N ATOM 911 CA TYR A 61 13.708 6.734 -0.851 1.00 62.45 C ATOM 912 C TYR A 61 14.389 6.140 -2.094 1.00 54.32 C ATOM 913 O TYR A 61 15.004 5.072 -2.030 1.00 4.00 O ATOM 914 CB TYR A 61 12.800 5.691 -0.183 1.00 43.51 C ATOM 915 CG TYR A 61 12.056 6.237 1.023 1.00 40.11 C ATOM 916 CD1 TYR A 61 12.622 6.195 2.290 1.00 53.43 C ATOM 917 CD2 TYR A 61 10.799 6.820 0.887 1.00 13.23 C ATOM 918 CE1 TYR A 61 11.957 6.709 3.384 1.00 12.35 C ATOM 919 CE2 TYR A 61 10.132 7.340 1.978 1.00 2.34 C ATOM 920 CZ TYR A 61 10.716 7.281 3.225 1.00 3.12 C ATOM 921 OH TYR A 61 10.062 7.807 4.314 1.00 4.24 O ATOM 0 H TYR A 61 12.038 7.722 -1.658 1.00 44.22 H new ATOM 0 HA TYR A 61 14.498 7.027 -0.160 1.00 62.45 H new ATOM 0 HB2 TYR A 61 12.078 5.325 -0.913 1.00 43.51 H new ATOM 0 HB3 TYR A 61 13.403 4.837 0.125 1.00 43.51 H new ATOM 0 HD1 TYR A 61 13.599 5.753 2.421 1.00 53.43 H new ATOM 0 HD2 TYR A 61 10.338 6.866 -0.089 1.00 13.23 H new ATOM 0 HE1 TYR A 61 12.410 6.662 4.363 1.00 12.35 H new ATOM 0 HE2 TYR A 61 9.158 7.790 1.855 1.00 2.34 H new ATOM 0 HH TYR A 61 9.100 7.848 4.129 1.00 4.24 H new ATOM 931 N GLY A 62 14.281 6.844 -3.222 1.00 11.31 N ATOM 932 CA GLY A 62 14.900 6.391 -4.466 1.00 22.00 C ATOM 933 C GLY A 62 14.001 5.486 -5.306 1.00 13.24 C ATOM 934 O GLY A 62 14.418 4.990 -6.355 1.00 34.20 O ATOM 0 H GLY A 62 13.773 7.725 -3.299 1.00 11.31 H new ATOM 0 HA2 GLY A 62 15.181 7.261 -5.059 1.00 22.00 H new ATOM 0 HA3 GLY A 62 15.820 5.856 -4.230 1.00 22.00 H new ATOM 938 N TYR A 63 12.765 5.267 -4.861 1.00 72.13 N ATOM 939 CA TYR A 63 11.815 4.425 -5.598 1.00 23.53 C ATOM 940 C TYR A 63 10.905 5.272 -6.501 1.00 41.53 C ATOM 941 O TYR A 63 10.356 6.287 -6.074 1.00 4.41 O ATOM 942 CB TYR A 63 10.978 3.584 -4.623 1.00 11.03 C ATOM 943 CG TYR A 63 11.800 2.552 -3.866 1.00 43.11 C ATOM 944 CD1 TYR A 63 12.562 2.913 -2.759 1.00 23.23 C ATOM 945 CD2 TYR A 63 11.824 1.219 -4.270 1.00 53.13 C ATOM 946 CE1 TYR A 63 13.322 1.980 -2.079 1.00 15.21 C ATOM 947 CE2 TYR A 63 12.578 0.281 -3.590 1.00 14.11 C ATOM 948 CZ TYR A 63 13.327 0.666 -2.497 1.00 74.42 C ATOM 949 OH TYR A 63 14.087 -0.266 -1.819 1.00 75.32 O ATOM 0 H TYR A 63 12.395 5.659 -3.995 1.00 72.13 H new ATOM 0 HA TYR A 63 12.386 3.752 -6.238 1.00 23.53 H new ATOM 0 HB2 TYR A 63 10.490 4.246 -3.908 1.00 11.03 H new ATOM 0 HB3 TYR A 63 10.189 3.076 -5.177 1.00 11.03 H new ATOM 0 HD1 TYR A 63 12.560 3.940 -2.425 1.00 23.23 H new ATOM 0 HD2 TYR A 63 11.244 0.914 -5.128 1.00 53.13 H new ATOM 0 HE1 TYR A 63 13.910 2.279 -1.224 1.00 15.21 H new ATOM 0 HE2 TYR A 63 12.581 -0.750 -3.913 1.00 14.11 H new ATOM 0 HH TYR A 63 13.979 -1.145 -2.240 1.00 75.32 H new ATOM 959 N LYS A 64 10.747 4.843 -7.750 1.00 43.23 N ATOM 960 CA LYS A 64 9.991 5.613 -8.746 1.00 11.32 C ATOM 961 C LYS A 64 8.472 5.446 -8.581 1.00 2.52 C ATOM 962 O LYS A 64 7.697 6.320 -8.969 1.00 51.51 O ATOM 963 CB LYS A 64 10.412 5.192 -10.161 1.00 32.53 C ATOM 964 CG LYS A 64 11.907 5.352 -10.433 1.00 25.45 C ATOM 965 CD LYS A 64 12.272 4.955 -11.864 1.00 74.40 C ATOM 966 CE LYS A 64 11.597 5.855 -12.896 1.00 25.14 C ATOM 967 NZ LYS A 64 11.940 5.460 -14.288 1.00 0.10 N ATOM 0 H LYS A 64 11.131 3.966 -8.101 1.00 43.23 H new ATOM 0 HA LYS A 64 10.222 6.666 -8.588 1.00 11.32 H new ATOM 0 HB2 LYS A 64 10.133 4.150 -10.318 1.00 32.53 H new ATOM 0 HB3 LYS A 64 9.855 5.784 -10.887 1.00 32.53 H new ATOM 0 HG2 LYS A 64 12.199 6.387 -10.258 1.00 25.45 H new ATOM 0 HG3 LYS A 64 12.471 4.738 -9.731 1.00 25.45 H new ATOM 0 HD2 LYS A 64 13.353 5.006 -11.990 1.00 74.40 H new ATOM 0 HD3 LYS A 64 11.980 3.920 -12.039 1.00 74.40 H new ATOM 0 HE2 LYS A 64 10.516 5.812 -12.763 1.00 25.14 H new ATOM 0 HE3 LYS A 64 11.898 6.889 -12.728 1.00 25.14 H new ATOM 0 HZ1 LYS A 64 11.461 6.096 -14.957 1.00 0.10 H new ATOM 0 HZ2 LYS A 64 12.969 5.525 -14.424 1.00 0.10 H new ATOM 0 HZ3 LYS A 64 11.630 4.482 -14.458 1.00 0.10 H new ATOM 981 N LYS A 65 8.051 4.326 -8.003 1.00 54.14 N ATOM 982 CA LYS A 65 6.624 4.032 -7.828 1.00 61.35 C ATOM 983 C LYS A 65 6.347 3.341 -6.483 1.00 2.40 C ATOM 984 O LYS A 65 7.150 2.531 -6.012 1.00 40.55 O ATOM 985 CB LYS A 65 6.121 3.154 -8.988 1.00 51.42 C ATOM 986 CG LYS A 65 6.908 1.857 -9.172 1.00 44.40 C ATOM 987 CD LYS A 65 6.333 0.966 -10.279 1.00 52.04 C ATOM 988 CE LYS A 65 6.485 1.573 -11.677 1.00 74.12 C ATOM 989 NZ LYS A 65 5.535 2.691 -11.926 1.00 53.34 N ATOM 0 H LYS A 65 8.675 3.603 -7.646 1.00 54.14 H new ATOM 0 HA LYS A 65 6.086 4.980 -7.830 1.00 61.35 H new ATOM 0 HB2 LYS A 65 5.073 2.910 -8.817 1.00 51.42 H new ATOM 0 HB3 LYS A 65 6.168 3.730 -9.912 1.00 51.42 H new ATOM 0 HG2 LYS A 65 7.945 2.097 -9.407 1.00 44.40 H new ATOM 0 HG3 LYS A 65 6.913 1.304 -8.233 1.00 44.40 H new ATOM 0 HD2 LYS A 65 6.832 -0.003 -10.254 1.00 52.04 H new ATOM 0 HD3 LYS A 65 5.277 0.786 -10.080 1.00 52.04 H new ATOM 0 HE2 LYS A 65 7.506 1.935 -11.802 1.00 74.12 H new ATOM 0 HE3 LYS A 65 6.328 0.796 -12.425 1.00 74.12 H new ATOM 0 HZ1 LYS A 65 5.070 2.553 -12.846 1.00 53.34 H new ATOM 0 HZ2 LYS A 65 4.816 2.710 -11.175 1.00 53.34 H new ATOM 0 HZ3 LYS A 65 6.054 3.592 -11.932 1.00 53.34 H new ATOM 1003 N LEU A 66 5.200 3.658 -5.876 1.00 63.02 N ATOM 1004 CA LEU A 66 4.802 3.059 -4.594 1.00 1.00 C ATOM 1005 C LEU A 66 4.690 1.531 -4.714 1.00 72.14 C ATOM 1006 O LEU A 66 5.023 0.797 -3.781 1.00 5.32 O ATOM 1007 CB LEU A 66 3.467 3.651 -4.118 1.00 61.12 C ATOM 1008 CG LEU A 66 2.980 3.173 -2.736 1.00 42.41 C ATOM 1009 CD1 LEU A 66 3.954 3.596 -1.637 1.00 31.31 C ATOM 1010 CD2 LEU A 66 1.574 3.701 -2.450 1.00 74.01 C ATOM 0 H LEU A 66 4.528 4.327 -6.251 1.00 63.02 H new ATOM 0 HA LEU A 66 5.573 3.290 -3.859 1.00 1.00 H new ATOM 0 HB2 LEU A 66 3.560 4.737 -4.095 1.00 61.12 H new ATOM 0 HB3 LEU A 66 2.701 3.412 -4.856 1.00 61.12 H new ATOM 0 HG LEU A 66 2.941 2.084 -2.747 1.00 42.41 H new ATOM 0 HD11 LEU A 66 3.587 3.247 -0.672 1.00 31.31 H new ATOM 0 HD12 LEU A 66 4.934 3.161 -1.832 1.00 31.31 H new ATOM 0 HD13 LEU A 66 4.036 4.683 -1.622 1.00 31.31 H new ATOM 0 HD21 LEU A 66 1.247 3.353 -1.470 1.00 74.01 H new ATOM 0 HD22 LEU A 66 1.585 4.791 -2.463 1.00 74.01 H new ATOM 0 HD23 LEU A 66 0.886 3.336 -3.213 1.00 74.01 H new ATOM 1022 N SER A 67 4.229 1.067 -5.879 1.00 50.13 N ATOM 1023 CA SER A 67 4.138 -0.373 -6.179 1.00 55.15 C ATOM 1024 C SER A 67 5.424 -1.112 -5.790 1.00 51.34 C ATOM 1025 O SER A 67 5.382 -2.213 -5.242 1.00 42.12 O ATOM 1026 CB SER A 67 3.884 -0.592 -7.680 1.00 30.41 C ATOM 1027 OG SER A 67 2.743 0.118 -8.132 1.00 61.54 O ATOM 0 H SER A 67 3.910 1.669 -6.638 1.00 50.13 H new ATOM 0 HA SER A 67 3.309 -0.771 -5.594 1.00 55.15 H new ATOM 0 HB2 SER A 67 4.759 -0.272 -8.247 1.00 30.41 H new ATOM 0 HB3 SER A 67 3.750 -1.656 -7.874 1.00 30.41 H new ATOM 0 HG SER A 67 2.615 -0.044 -9.090 1.00 61.54 H new ATOM 1033 N ASP A 68 6.565 -0.482 -6.071 1.00 54.13 N ATOM 1034 CA ASP A 68 7.871 -1.104 -5.847 1.00 2.15 C ATOM 1035 C ASP A 68 8.390 -0.854 -4.414 1.00 2.00 C ATOM 1036 O ASP A 68 9.129 -1.669 -3.858 1.00 14.44 O ATOM 1037 CB ASP A 68 8.865 -0.588 -6.893 1.00 54.01 C ATOM 1038 CG ASP A 68 10.166 -1.369 -6.898 1.00 64.45 C ATOM 1039 OD1 ASP A 68 10.117 -2.618 -6.961 1.00 11.33 O ATOM 1040 OD2 ASP A 68 11.241 -0.738 -6.876 1.00 13.41 O ATOM 0 H ASP A 68 6.611 0.462 -6.455 1.00 54.13 H new ATOM 0 HA ASP A 68 7.763 -2.183 -5.955 1.00 2.15 H new ATOM 0 HB2 ASP A 68 8.408 -0.644 -7.881 1.00 54.01 H new ATOM 0 HB3 ASP A 68 9.078 0.463 -6.699 1.00 54.01 H new ATOM 1045 N LEU A 69 7.989 0.268 -3.812 1.00 50.32 N ATOM 1046 CA LEU A 69 8.377 0.584 -2.430 1.00 3.12 C ATOM 1047 C LEU A 69 7.780 -0.427 -1.437 1.00 2.43 C ATOM 1048 O LEU A 69 8.487 -0.981 -0.593 1.00 53.21 O ATOM 1049 CB LEU A 69 7.927 2.003 -2.048 1.00 23.34 C ATOM 1050 CG LEU A 69 8.252 2.422 -0.602 1.00 31.11 C ATOM 1051 CD1 LEU A 69 9.762 2.537 -0.389 1.00 20.11 C ATOM 1052 CD2 LEU A 69 7.546 3.726 -0.244 1.00 62.42 C ATOM 0 H LEU A 69 7.398 0.972 -4.255 1.00 50.32 H new ATOM 0 HA LEU A 69 9.464 0.526 -2.377 1.00 3.12 H new ATOM 0 HB2 LEU A 69 8.396 2.712 -2.730 1.00 23.34 H new ATOM 0 HB3 LEU A 69 6.850 2.079 -2.199 1.00 23.34 H new ATOM 0 HG LEU A 69 7.881 1.644 0.066 1.00 31.11 H new ATOM 0 HD11 LEU A 69 9.963 2.834 0.640 1.00 20.11 H new ATOM 0 HD12 LEU A 69 10.232 1.573 -0.587 1.00 20.11 H new ATOM 0 HD13 LEU A 69 10.169 3.285 -1.069 1.00 20.11 H new ATOM 0 HD21 LEU A 69 7.790 4.002 0.782 1.00 62.42 H new ATOM 0 HD22 LEU A 69 7.874 4.515 -0.920 1.00 62.42 H new ATOM 0 HD23 LEU A 69 6.468 3.594 -0.337 1.00 62.42 H new ATOM 1064 N VAL A 70 6.475 -0.668 -1.553 1.00 22.34 N ATOM 1065 CA VAL A 70 5.767 -1.568 -0.634 1.00 61.43 C ATOM 1066 C VAL A 70 6.347 -2.995 -0.673 1.00 62.24 C ATOM 1067 O VAL A 70 6.655 -3.578 0.366 1.00 34.52 O ATOM 1068 CB VAL A 70 4.250 -1.612 -0.950 1.00 15.45 C ATOM 1069 CG1 VAL A 70 3.504 -2.451 0.084 1.00 43.22 C ATOM 1070 CG2 VAL A 70 3.666 -0.202 -1.021 1.00 24.54 C ATOM 0 H VAL A 70 5.883 -0.254 -2.273 1.00 22.34 H new ATOM 0 HA VAL A 70 5.908 -1.167 0.370 1.00 61.43 H new ATOM 0 HB VAL A 70 4.124 -2.081 -1.926 1.00 15.45 H new ATOM 0 HG11 VAL A 70 2.441 -2.467 -0.159 1.00 43.22 H new ATOM 0 HG12 VAL A 70 3.894 -3.469 0.076 1.00 43.22 H new ATOM 0 HG13 VAL A 70 3.644 -2.017 1.074 1.00 43.22 H new ATOM 0 HG21 VAL A 70 2.601 -0.260 -1.244 1.00 24.54 H new ATOM 0 HG22 VAL A 70 3.810 0.300 -0.064 1.00 24.54 H new ATOM 0 HG23 VAL A 70 4.171 0.362 -1.806 1.00 24.54 H new ATOM 1080 N LYS A 71 6.511 -3.546 -1.879 1.00 14.42 N ATOM 1081 CA LYS A 71 7.111 -4.881 -2.048 1.00 3.35 C ATOM 1082 C LYS A 71 8.570 -4.908 -1.561 1.00 53.14 C ATOM 1083 O LYS A 71 9.115 -5.969 -1.255 1.00 55.03 O ATOM 1084 CB LYS A 71 7.025 -5.328 -3.518 1.00 22.03 C ATOM 1085 CG LYS A 71 7.629 -4.330 -4.505 1.00 24.43 C ATOM 1086 CD LYS A 71 7.417 -4.743 -5.963 1.00 45.43 C ATOM 1087 CE LYS A 71 8.381 -5.841 -6.405 1.00 43.40 C ATOM 1088 NZ LYS A 71 9.791 -5.361 -6.459 1.00 50.31 N ATOM 0 H LYS A 71 6.239 -3.094 -2.752 1.00 14.42 H new ATOM 0 HA LYS A 71 6.543 -5.581 -1.435 1.00 3.35 H new ATOM 0 HB2 LYS A 71 7.535 -6.285 -3.627 1.00 22.03 H new ATOM 0 HB3 LYS A 71 5.979 -5.492 -3.777 1.00 22.03 H new ATOM 0 HG2 LYS A 71 7.185 -3.348 -4.341 1.00 24.43 H new ATOM 0 HG3 LYS A 71 8.697 -4.233 -4.310 1.00 24.43 H new ATOM 0 HD2 LYS A 71 6.392 -5.090 -6.094 1.00 45.43 H new ATOM 0 HD3 LYS A 71 7.544 -3.872 -6.606 1.00 45.43 H new ATOM 0 HE2 LYS A 71 8.311 -6.683 -5.716 1.00 43.40 H new ATOM 0 HE3 LYS A 71 8.086 -6.208 -7.388 1.00 43.40 H new ATOM 0 HZ1 LYS A 71 10.326 -5.932 -7.144 1.00 50.31 H new ATOM 0 HZ2 LYS A 71 9.807 -4.363 -6.752 1.00 50.31 H new ATOM 0 HZ3 LYS A 71 10.225 -5.452 -5.518 1.00 50.31 H new ATOM 1102 N ALA A 72 9.203 -3.737 -1.496 1.00 64.32 N ATOM 1103 CA ALA A 72 10.573 -3.623 -0.985 1.00 55.41 C ATOM 1104 C ALA A 72 10.607 -3.557 0.551 1.00 43.42 C ATOM 1105 O ALA A 72 11.637 -3.829 1.170 1.00 11.05 O ATOM 1106 CB ALA A 72 11.255 -2.397 -1.579 1.00 44.01 C ATOM 0 H ALA A 72 8.790 -2.852 -1.791 1.00 64.32 H new ATOM 0 HA ALA A 72 11.114 -4.520 -1.288 1.00 55.41 H new ATOM 0 HB1 ALA A 72 12.271 -2.323 -1.192 1.00 44.01 H new ATOM 0 HB2 ALA A 72 11.286 -2.488 -2.665 1.00 44.01 H new ATOM 0 HB3 ALA A 72 10.697 -1.502 -1.306 1.00 44.01 H new ATOM 1112 N ARG A 73 9.483 -3.194 1.165 1.00 30.51 N ATOM 1113 CA ARG A 73 9.408 -3.059 2.625 1.00 71.13 C ATOM 1114 C ARG A 73 8.491 -4.125 3.246 1.00 33.53 C ATOM 1115 O ARG A 73 7.610 -3.813 4.051 1.00 52.34 O ATOM 1116 CB ARG A 73 8.935 -1.646 3.002 1.00 61.12 C ATOM 1117 CG ARG A 73 9.858 -0.542 2.488 1.00 22.53 C ATOM 1118 CD ARG A 73 11.287 -0.704 3.010 1.00 23.14 C ATOM 1119 NE ARG A 73 12.233 0.137 2.279 1.00 75.55 N ATOM 1120 CZ ARG A 73 13.011 -0.301 1.327 1.00 64.34 C ATOM 1121 NH1 ARG A 73 13.053 -1.561 1.034 1.00 73.32 N ATOM 1122 NH2 ARG A 73 13.770 0.518 0.683 1.00 41.45 N ATOM 0 H ARG A 73 8.611 -2.987 0.678 1.00 30.51 H new ATOM 0 HA ARG A 73 10.408 -3.216 3.030 1.00 71.13 H new ATOM 0 HB2 ARG A 73 7.933 -1.487 2.603 1.00 61.12 H new ATOM 0 HB3 ARG A 73 8.861 -1.573 4.087 1.00 61.12 H new ATOM 0 HG2 ARG A 73 9.866 -0.554 1.398 1.00 22.53 H new ATOM 0 HG3 ARG A 73 9.468 0.429 2.793 1.00 22.53 H new ATOM 0 HD2 ARG A 73 11.318 -0.449 4.069 1.00 23.14 H new ATOM 0 HD3 ARG A 73 11.588 -1.748 2.925 1.00 23.14 H new ATOM 0 HE ARG A 73 12.288 1.125 2.528 1.00 75.55 H new ATOM 0 HH11 ARG A 73 12.474 -2.224 1.549 1.00 73.32 H new ATOM 0 HH12 ARG A 73 13.665 -1.891 0.288 1.00 73.32 H new ATOM 0 HH21 ARG A 73 13.763 1.511 0.917 1.00 41.45 H new ATOM 0 HH22 ARG A 73 14.377 0.173 -0.061 1.00 41.45 H new ATOM 1136 N THR A 74 8.731 -5.390 2.894 1.00 24.25 N ATOM 1137 CA THR A 74 7.989 -6.520 3.480 1.00 35.42 C ATOM 1138 C THR A 74 8.154 -6.571 5.007 1.00 23.51 C ATOM 1139 O THR A 74 7.407 -7.261 5.705 1.00 63.00 O ATOM 1140 CB THR A 74 8.450 -7.870 2.884 1.00 14.40 C ATOM 1141 OG1 THR A 74 9.855 -8.057 3.118 1.00 41.42 O ATOM 1142 CG2 THR A 74 8.168 -7.932 1.384 1.00 2.44 C ATOM 0 H THR A 74 9.433 -5.663 2.206 1.00 24.25 H new ATOM 0 HA THR A 74 6.939 -6.359 3.237 1.00 35.42 H new ATOM 0 HB THR A 74 7.889 -8.665 3.375 1.00 14.40 H new ATOM 0 HG1 THR A 74 10.138 -8.915 2.739 1.00 41.42 H new ATOM 0 HG21 THR A 74 8.502 -8.892 0.990 1.00 2.44 H new ATOM 0 HG22 THR A 74 7.098 -7.821 1.210 1.00 2.44 H new ATOM 0 HG23 THR A 74 8.703 -7.127 0.880 1.00 2.44 H new ATOM 1150 N ASP A 75 9.157 -5.850 5.503 1.00 20.13 N ATOM 1151 CA ASP A 75 9.376 -5.663 6.940 1.00 14.15 C ATOM 1152 C ASP A 75 8.136 -5.061 7.628 1.00 34.23 C ATOM 1153 O ASP A 75 7.797 -5.421 8.757 1.00 71.44 O ATOM 1154 CB ASP A 75 10.582 -4.733 7.140 1.00 33.33 C ATOM 1155 CG ASP A 75 10.925 -4.503 8.601 1.00 73.12 C ATOM 1156 OD1 ASP A 75 11.437 -5.435 9.252 1.00 41.13 O ATOM 1157 OD2 ASP A 75 10.699 -3.382 9.107 1.00 3.20 O ATOM 0 H ASP A 75 9.845 -5.376 4.919 1.00 20.13 H new ATOM 0 HA ASP A 75 9.566 -6.636 7.392 1.00 14.15 H new ATOM 0 HB2 ASP A 75 11.448 -5.158 6.633 1.00 33.33 H new ATOM 0 HB3 ASP A 75 10.375 -3.773 6.667 1.00 33.33 H new ATOM 1162 N LEU A 76 7.478 -4.137 6.933 1.00 51.14 N ATOM 1163 CA LEU A 76 6.312 -3.426 7.471 1.00 14.43 C ATOM 1164 C LEU A 76 5.005 -3.853 6.783 1.00 32.44 C ATOM 1165 O LEU A 76 3.930 -3.810 7.389 1.00 74.43 O ATOM 1166 CB LEU A 76 6.504 -1.914 7.288 1.00 63.25 C ATOM 1167 CG LEU A 76 7.715 -1.305 8.017 1.00 54.22 C ATOM 1168 CD1 LEU A 76 7.900 0.163 7.631 1.00 72.31 C ATOM 1169 CD2 LEU A 76 7.562 -1.448 9.529 1.00 34.33 C ATOM 0 H LEU A 76 7.733 -3.858 5.986 1.00 51.14 H new ATOM 0 HA LEU A 76 6.233 -3.679 8.528 1.00 14.43 H new ATOM 0 HB2 LEU A 76 6.601 -1.704 6.223 1.00 63.25 H new ATOM 0 HB3 LEU A 76 5.603 -1.407 7.632 1.00 63.25 H new ATOM 0 HG LEU A 76 8.606 -1.852 7.709 1.00 54.22 H new ATOM 0 HD11 LEU A 76 8.762 0.572 8.159 1.00 72.31 H new ATOM 0 HD12 LEU A 76 8.063 0.239 6.556 1.00 72.31 H new ATOM 0 HD13 LEU A 76 7.007 0.726 7.903 1.00 72.31 H new ATOM 0 HD21 LEU A 76 8.429 -1.011 10.025 1.00 34.33 H new ATOM 0 HD22 LEU A 76 6.659 -0.931 9.854 1.00 34.33 H new ATOM 0 HD23 LEU A 76 7.489 -2.504 9.789 1.00 34.33 H new ATOM 1181 N PHE A 77 5.093 -4.253 5.516 1.00 55.23 N ATOM 1182 CA PHE A 77 3.894 -4.519 4.712 1.00 15.31 C ATOM 1183 C PHE A 77 3.875 -5.952 4.156 1.00 53.52 C ATOM 1184 O PHE A 77 4.912 -6.503 3.788 1.00 5.43 O ATOM 1185 CB PHE A 77 3.826 -3.521 3.545 1.00 21.32 C ATOM 1186 CG PHE A 77 4.017 -2.085 3.965 1.00 61.50 C ATOM 1187 CD1 PHE A 77 3.221 -1.525 4.955 1.00 34.32 C ATOM 1188 CD2 PHE A 77 5.003 -1.297 3.380 1.00 43.41 C ATOM 1189 CE1 PHE A 77 3.404 -0.216 5.351 1.00 23.34 C ATOM 1190 CE2 PHE A 77 5.185 0.013 3.773 1.00 1.34 C ATOM 1191 CZ PHE A 77 4.386 0.553 4.760 1.00 30.11 C ATOM 0 H PHE A 77 5.974 -4.400 5.023 1.00 55.23 H new ATOM 0 HA PHE A 77 3.029 -4.403 5.365 1.00 15.31 H new ATOM 0 HB2 PHE A 77 4.589 -3.781 2.811 1.00 21.32 H new ATOM 0 HB3 PHE A 77 2.860 -3.620 3.049 1.00 21.32 H new ATOM 0 HD1 PHE A 77 2.450 -2.121 5.420 1.00 34.32 H new ATOM 0 HD2 PHE A 77 5.633 -1.716 2.609 1.00 43.41 H new ATOM 0 HE1 PHE A 77 2.779 0.207 6.123 1.00 23.34 H new ATOM 0 HE2 PHE A 77 5.952 0.615 3.309 1.00 1.34 H new ATOM 0 HZ PHE A 77 4.529 1.578 5.070 1.00 30.11 H new ATOM 1201 N VAL A 78 2.688 -6.549 4.104 1.00 40.53 N ATOM 1202 CA VAL A 78 2.495 -7.855 3.464 1.00 72.05 C ATOM 1203 C VAL A 78 1.895 -7.672 2.062 1.00 42.04 C ATOM 1204 O VAL A 78 0.793 -7.135 1.918 1.00 25.31 O ATOM 1205 CB VAL A 78 1.561 -8.765 4.301 1.00 32.21 C ATOM 1206 CG1 VAL A 78 1.369 -10.129 3.635 1.00 32.11 C ATOM 1207 CG2 VAL A 78 2.088 -8.919 5.727 1.00 14.23 C ATOM 0 H VAL A 78 1.837 -6.149 4.499 1.00 40.53 H new ATOM 0 HA VAL A 78 3.472 -8.333 3.392 1.00 72.05 H new ATOM 0 HB VAL A 78 0.584 -8.284 4.351 1.00 32.21 H new ATOM 0 HG11 VAL A 78 0.709 -10.743 4.247 1.00 32.11 H new ATOM 0 HG12 VAL A 78 0.926 -9.993 2.648 1.00 32.11 H new ATOM 0 HG13 VAL A 78 2.335 -10.624 3.534 1.00 32.11 H new ATOM 0 HG21 VAL A 78 1.416 -9.562 6.296 1.00 14.23 H new ATOM 0 HG22 VAL A 78 3.082 -9.365 5.701 1.00 14.23 H new ATOM 0 HG23 VAL A 78 2.142 -7.940 6.203 1.00 14.23 H new ATOM 1217 N THR A 79 2.611 -8.124 1.031 1.00 31.24 N ATOM 1218 CA THR A 79 2.174 -7.914 -0.362 1.00 32.21 C ATOM 1219 C THR A 79 1.853 -9.237 -1.069 1.00 63.12 C ATOM 1220 O THR A 79 2.683 -10.149 -1.103 1.00 30.44 O ATOM 1221 CB THR A 79 3.267 -7.185 -1.190 1.00 21.35 C ATOM 1222 OG1 THR A 79 4.413 -8.036 -1.375 1.00 60.11 O ATOM 1223 CG2 THR A 79 3.711 -5.900 -0.501 1.00 54.32 C ATOM 0 H THR A 79 3.489 -8.634 1.126 1.00 31.24 H new ATOM 0 HA THR A 79 1.273 -7.304 -0.305 1.00 32.21 H new ATOM 0 HB THR A 79 2.833 -6.939 -2.159 1.00 21.35 H new ATOM 0 HG1 THR A 79 4.152 -8.970 -1.236 1.00 60.11 H new ATOM 0 HG21 THR A 79 4.477 -5.410 -1.103 1.00 54.32 H new ATOM 0 HG22 THR A 79 2.856 -5.233 -0.389 1.00 54.32 H new ATOM 0 HG23 THR A 79 4.118 -6.136 0.482 1.00 54.32 H new ATOM 1231 N GLU A 80 0.664 -9.319 -1.667 1.00 21.35 N ATOM 1232 CA GLU A 80 0.244 -10.505 -2.427 1.00 41.11 C ATOM 1233 C GLU A 80 -0.687 -10.107 -3.586 1.00 54.13 C ATOM 1234 O GLU A 80 -1.533 -9.221 -3.447 1.00 44.24 O ATOM 1235 CB GLU A 80 -0.446 -11.535 -1.505 1.00 51.23 C ATOM 1236 CG GLU A 80 0.506 -12.222 -0.519 1.00 1.21 C ATOM 1237 CD GLU A 80 -0.197 -13.151 0.463 1.00 62.51 C ATOM 1238 OE1 GLU A 80 -0.504 -14.303 0.088 1.00 31.23 O ATOM 1239 OE2 GLU A 80 -0.441 -12.736 1.615 1.00 40.32 O ATOM 0 H GLU A 80 -0.032 -8.574 -1.641 1.00 21.35 H new ATOM 0 HA GLU A 80 1.136 -10.970 -2.847 1.00 41.11 H new ATOM 0 HB2 GLU A 80 -1.235 -11.034 -0.944 1.00 51.23 H new ATOM 0 HB3 GLU A 80 -0.926 -12.295 -2.121 1.00 51.23 H new ATOM 0 HG2 GLU A 80 1.246 -12.793 -1.080 1.00 1.21 H new ATOM 0 HG3 GLU A 80 1.048 -11.460 0.040 1.00 1.21 H new ATOM 1246 N GLU A 81 -0.520 -10.765 -4.729 1.00 74.50 N ATOM 1247 CA GLU A 81 -1.290 -10.445 -5.938 1.00 23.51 C ATOM 1248 C GLU A 81 -2.617 -11.219 -5.973 1.00 34.14 C ATOM 1249 O GLU A 81 -2.631 -12.452 -5.975 1.00 53.31 O ATOM 1250 CB GLU A 81 -0.456 -10.768 -7.186 1.00 74.00 C ATOM 1251 CG GLU A 81 0.891 -10.052 -7.217 1.00 52.04 C ATOM 1252 CD GLU A 81 1.759 -10.482 -8.387 1.00 50.42 C ATOM 1253 OE1 GLU A 81 1.638 -9.886 -9.479 1.00 3.34 O ATOM 1254 OE2 GLU A 81 2.566 -11.420 -8.223 1.00 4.15 O ATOM 0 H GLU A 81 0.145 -11.529 -4.849 1.00 74.50 H new ATOM 0 HA GLU A 81 -1.523 -9.380 -5.924 1.00 23.51 H new ATOM 0 HB2 GLU A 81 -0.288 -11.844 -7.233 1.00 74.00 H new ATOM 0 HB3 GLU A 81 -1.025 -10.495 -8.075 1.00 74.00 H new ATOM 0 HG2 GLU A 81 0.724 -8.976 -7.270 1.00 52.04 H new ATOM 0 HG3 GLU A 81 1.422 -10.247 -6.285 1.00 52.04 H new ATOM 1261 N ARG A 82 -3.731 -10.488 -6.011 1.00 2.42 N ATOM 1262 CA ARG A 82 -5.066 -11.096 -5.965 1.00 24.12 C ATOM 1263 C ARG A 82 -5.861 -10.807 -7.249 1.00 32.53 C ATOM 1264 O ARG A 82 -5.921 -9.672 -7.717 1.00 45.42 O ATOM 1265 CB ARG A 82 -5.829 -10.579 -4.736 1.00 61.04 C ATOM 1266 CG ARG A 82 -5.139 -10.899 -3.409 1.00 54.43 C ATOM 1267 CD ARG A 82 -5.133 -12.396 -3.119 1.00 22.15 C ATOM 1268 NE ARG A 82 -6.474 -12.902 -2.832 1.00 22.21 N ATOM 1269 CZ ARG A 82 -7.065 -13.862 -3.493 1.00 44.22 C ATOM 1270 NH1 ARG A 82 -6.503 -14.411 -4.525 1.00 0.12 N ATOM 1271 NH2 ARG A 82 -8.232 -14.267 -3.125 1.00 4.43 N ATOM 0 H ARG A 82 -3.738 -9.470 -6.074 1.00 2.42 H new ATOM 0 HA ARG A 82 -4.946 -12.177 -5.889 1.00 24.12 H new ATOM 0 HB2 ARG A 82 -5.951 -9.499 -4.822 1.00 61.04 H new ATOM 0 HB3 ARG A 82 -6.829 -11.013 -4.730 1.00 61.04 H new ATOM 0 HG2 ARG A 82 -4.114 -10.530 -3.434 1.00 54.43 H new ATOM 0 HG3 ARG A 82 -5.647 -10.374 -2.600 1.00 54.43 H new ATOM 0 HD2 ARG A 82 -4.719 -12.930 -3.975 1.00 22.15 H new ATOM 0 HD3 ARG A 82 -4.479 -12.599 -2.271 1.00 22.15 H new ATOM 0 HE ARG A 82 -6.986 -12.475 -2.060 1.00 22.21 H new ATOM 0 HH11 ARG A 82 -5.584 -14.095 -4.834 1.00 0.12 H new ATOM 0 HH12 ARG A 82 -6.980 -15.159 -5.028 1.00 0.12 H new ATOM 0 HH21 ARG A 82 -8.690 -13.838 -2.321 1.00 4.43 H new ATOM 0 HH22 ARG A 82 -8.697 -15.016 -3.638 1.00 4.43 H new ATOM 1285 N GLN A 83 -6.468 -11.847 -7.812 1.00 51.11 N ATOM 1286 CA GLN A 83 -7.249 -11.725 -9.048 1.00 63.32 C ATOM 1287 C GLN A 83 -8.655 -11.166 -8.766 1.00 72.52 C ATOM 1288 O GLN A 83 -9.288 -11.529 -7.775 1.00 54.22 O ATOM 1289 CB GLN A 83 -7.346 -13.088 -9.745 1.00 22.23 C ATOM 1290 CG GLN A 83 -8.029 -13.043 -11.110 1.00 3.43 C ATOM 1291 CD GLN A 83 -8.049 -14.396 -11.801 1.00 72.03 C ATOM 1292 OE1 GLN A 83 -8.101 -15.440 -11.157 1.00 3.21 O ATOM 1293 NE2 GLN A 83 -8.004 -14.390 -13.118 1.00 41.10 N ATOM 0 H GLN A 83 -6.436 -12.793 -7.432 1.00 51.11 H new ATOM 0 HA GLN A 83 -6.737 -11.024 -9.707 1.00 63.32 H new ATOM 0 HB2 GLN A 83 -6.342 -13.494 -9.866 1.00 22.23 H new ATOM 0 HB3 GLN A 83 -7.892 -13.776 -9.100 1.00 22.23 H new ATOM 0 HG2 GLN A 83 -9.052 -12.687 -10.988 1.00 3.43 H new ATOM 0 HG3 GLN A 83 -7.514 -12.323 -11.746 1.00 3.43 H new ATOM 0 HE21 GLN A 83 -7.961 -13.505 -13.623 1.00 41.10 H new ATOM 0 HE22 GLN A 83 -8.012 -15.271 -13.633 1.00 41.10 H new ATOM 1302 N VAL A 84 -9.139 -10.285 -9.640 1.00 54.23 N ATOM 1303 CA VAL A 84 -10.426 -9.615 -9.429 1.00 52.23 C ATOM 1304 C VAL A 84 -11.597 -10.454 -9.993 1.00 41.32 C ATOM 1305 O VAL A 84 -11.663 -10.707 -11.197 1.00 51.43 O ATOM 1306 CB VAL A 84 -10.429 -8.215 -10.099 1.00 32.11 C ATOM 1307 CG1 VAL A 84 -11.701 -7.444 -9.754 1.00 63.24 C ATOM 1308 CG2 VAL A 84 -9.184 -7.421 -9.701 1.00 63.12 C ATOM 0 H VAL A 84 -8.662 -10.017 -10.501 1.00 54.23 H new ATOM 0 HA VAL A 84 -10.562 -9.504 -8.353 1.00 52.23 H new ATOM 0 HB VAL A 84 -10.409 -8.359 -11.179 1.00 32.11 H new ATOM 0 HG11 VAL A 84 -11.676 -6.467 -10.237 1.00 63.24 H new ATOM 0 HG12 VAL A 84 -12.570 -8.000 -10.105 1.00 63.24 H new ATOM 0 HG13 VAL A 84 -11.766 -7.314 -8.674 1.00 63.24 H new ATOM 0 HG21 VAL A 84 -9.207 -6.443 -10.182 1.00 63.12 H new ATOM 0 HG22 VAL A 84 -9.165 -7.293 -8.619 1.00 63.12 H new ATOM 0 HG23 VAL A 84 -8.292 -7.961 -10.018 1.00 63.12 H new ATOM 1318 N PRO A 85 -12.531 -10.902 -9.119 1.00 75.13 N ATOM 1319 CA PRO A 85 -13.677 -11.750 -9.523 1.00 10.24 C ATOM 1320 C PRO A 85 -14.453 -11.197 -10.734 1.00 54.52 C ATOM 1321 O PRO A 85 -14.831 -10.025 -10.765 1.00 3.40 O ATOM 1322 CB PRO A 85 -14.563 -11.757 -8.271 1.00 63.51 C ATOM 1323 CG PRO A 85 -13.611 -11.552 -7.143 1.00 2.21 C ATOM 1324 CD PRO A 85 -12.545 -10.624 -7.666 1.00 42.33 C ATOM 0 HA PRO A 85 -13.349 -12.738 -9.846 1.00 10.24 H new ATOM 0 HB2 PRO A 85 -15.311 -10.965 -8.309 1.00 63.51 H new ATOM 0 HB3 PRO A 85 -15.102 -12.699 -8.170 1.00 63.51 H new ATOM 0 HG2 PRO A 85 -14.116 -11.119 -6.279 1.00 2.21 H new ATOM 0 HG3 PRO A 85 -13.180 -12.499 -6.819 1.00 2.21 H new ATOM 0 HD2 PRO A 85 -12.784 -9.581 -7.459 1.00 42.33 H new ATOM 0 HD3 PRO A 85 -11.576 -10.826 -7.209 1.00 42.33 H new ATOM 1332 N GLY A 86 -14.693 -12.051 -11.727 1.00 24.12 N ATOM 1333 CA GLY A 86 -15.356 -11.617 -12.954 1.00 64.05 C ATOM 1334 C GLY A 86 -14.388 -11.030 -13.978 1.00 15.44 C ATOM 1335 O GLY A 86 -14.775 -10.727 -15.108 1.00 60.41 O ATOM 0 H GLY A 86 -14.441 -13.039 -11.707 1.00 24.12 H new ATOM 0 HA2 GLY A 86 -15.877 -12.465 -13.399 1.00 64.05 H new ATOM 0 HA3 GLY A 86 -16.112 -10.872 -12.708 1.00 64.05 H new ATOM 1339 N SER A 87 -13.124 -10.865 -13.585 1.00 44.15 N ATOM 1340 CA SER A 87 -12.094 -10.298 -14.469 1.00 50.12 C ATOM 1341 C SER A 87 -10.835 -11.181 -14.494 1.00 23.35 C ATOM 1342 O SER A 87 -10.455 -11.768 -13.482 1.00 10.34 O ATOM 1343 CB SER A 87 -11.721 -8.875 -14.018 1.00 32.51 C ATOM 1344 OG SER A 87 -12.835 -7.996 -14.090 1.00 10.43 O ATOM 0 H SER A 87 -12.784 -11.116 -12.657 1.00 44.15 H new ATOM 0 HA SER A 87 -12.508 -10.258 -15.476 1.00 50.12 H new ATOM 0 HB2 SER A 87 -11.344 -8.903 -12.996 1.00 32.51 H new ATOM 0 HB3 SER A 87 -10.914 -8.494 -14.644 1.00 32.51 H new ATOM 0 HG SER A 87 -12.565 -7.101 -13.795 1.00 10.43 H new ATOM 1350 N THR A 88 -10.191 -11.276 -15.656 1.00 5.11 N ATOM 1351 CA THR A 88 -8.963 -12.076 -15.800 1.00 73.15 C ATOM 1352 C THR A 88 -7.737 -11.318 -15.273 1.00 33.32 C ATOM 1353 O THR A 88 -6.727 -11.925 -14.909 1.00 44.35 O ATOM 1354 CB THR A 88 -8.713 -12.487 -17.275 1.00 53.30 C ATOM 1355 OG1 THR A 88 -7.529 -13.300 -17.378 1.00 23.12 O ATOM 1356 CG2 THR A 88 -8.574 -11.266 -18.178 1.00 22.24 C ATOM 0 H THR A 88 -10.493 -10.812 -16.513 1.00 5.11 H new ATOM 0 HA THR A 88 -9.110 -12.977 -15.205 1.00 73.15 H new ATOM 0 HB THR A 88 -9.578 -13.063 -17.605 1.00 53.30 H new ATOM 0 HG1 THR A 88 -7.386 -13.552 -18.314 1.00 23.12 H new ATOM 0 HG21 THR A 88 -8.400 -11.590 -19.204 1.00 22.24 H new ATOM 0 HG22 THR A 88 -9.489 -10.675 -18.135 1.00 22.24 H new ATOM 0 HG23 THR A 88 -7.734 -10.659 -17.842 1.00 22.24 H new ATOM 1364 N GLN A 89 -7.836 -9.989 -15.222 1.00 1.15 N ATOM 1365 CA GLN A 89 -6.750 -9.148 -14.704 1.00 5.03 C ATOM 1366 C GLN A 89 -6.583 -9.322 -13.184 1.00 73.32 C ATOM 1367 O GLN A 89 -7.517 -9.720 -12.478 1.00 21.41 O ATOM 1368 CB GLN A 89 -7.009 -7.666 -15.035 1.00 45.43 C ATOM 1369 CG GLN A 89 -8.207 -7.065 -14.302 1.00 53.21 C ATOM 1370 CD GLN A 89 -8.391 -5.575 -14.564 1.00 12.11 C ATOM 1371 OE1 GLN A 89 -8.052 -5.124 -15.756 1.00 3.24 O flip ATOM 1372 NE2 GLN A 89 -8.852 -4.833 -13.699 1.00 20.14 N flip ATOM 0 H GLN A 89 -8.657 -9.469 -15.533 1.00 1.15 H new ATOM 0 HA GLN A 89 -5.827 -9.467 -15.189 1.00 5.03 H new ATOM 0 HB2 GLN A 89 -6.118 -7.088 -14.788 1.00 45.43 H new ATOM 0 HB3 GLN A 89 -7.166 -7.566 -16.109 1.00 45.43 H new ATOM 0 HG2 GLN A 89 -9.111 -7.594 -14.604 1.00 53.21 H new ATOM 0 HG3 GLN A 89 -8.086 -7.226 -13.231 1.00 53.21 H new ATOM 0 HE21 GLN A 89 -9.105 -5.210 -12.786 1.00 20.14 H new ATOM 0 HE22 GLN A 89 -8.981 -3.840 -13.895 1.00 20.14 H new ATOM 1381 N LYS A 90 -5.389 -9.022 -12.684 1.00 34.51 N ATOM 1382 CA LYS A 90 -5.104 -9.126 -11.249 1.00 10.14 C ATOM 1383 C LYS A 90 -4.746 -7.759 -10.652 1.00 44.22 C ATOM 1384 O LYS A 90 -4.229 -6.880 -11.341 1.00 72.54 O ATOM 1385 CB LYS A 90 -3.956 -10.115 -10.998 1.00 1.02 C ATOM 1386 CG LYS A 90 -2.608 -9.644 -11.538 1.00 3.10 C ATOM 1387 CD LYS A 90 -1.487 -10.639 -11.246 1.00 74.32 C ATOM 1388 CE LYS A 90 -1.732 -11.988 -11.909 1.00 74.25 C ATOM 1389 NZ LYS A 90 -0.574 -12.901 -11.739 1.00 21.42 N ATOM 0 H LYS A 90 -4.600 -8.705 -13.247 1.00 34.51 H new ATOM 0 HA LYS A 90 -6.007 -9.491 -10.760 1.00 10.14 H new ATOM 0 HB2 LYS A 90 -3.867 -10.289 -9.926 1.00 1.02 H new ATOM 0 HB3 LYS A 90 -4.206 -11.072 -11.456 1.00 1.02 H new ATOM 0 HG2 LYS A 90 -2.684 -9.491 -12.615 1.00 3.10 H new ATOM 0 HG3 LYS A 90 -2.359 -8.679 -11.096 1.00 3.10 H new ATOM 0 HD2 LYS A 90 -0.539 -10.230 -11.596 1.00 74.32 H new ATOM 0 HD3 LYS A 90 -1.396 -10.776 -10.169 1.00 74.32 H new ATOM 0 HE2 LYS A 90 -2.623 -12.447 -11.482 1.00 74.25 H new ATOM 0 HE3 LYS A 90 -1.927 -11.841 -12.971 1.00 74.25 H new ATOM 0 HZ1 LYS A 90 -0.777 -13.809 -12.203 1.00 21.42 H new ATOM 0 HZ2 LYS A 90 0.271 -12.474 -12.169 1.00 21.42 H new ATOM 0 HZ3 LYS A 90 -0.404 -13.061 -10.726 1.00 21.42 H new ATOM 1403 N ALA A 91 -5.020 -7.593 -9.365 1.00 12.00 N ATOM 1404 CA ALA A 91 -4.698 -6.355 -8.653 1.00 0.22 C ATOM 1405 C ALA A 91 -3.846 -6.640 -7.408 1.00 31.55 C ATOM 1406 O ALA A 91 -4.011 -7.668 -6.746 1.00 65.03 O ATOM 1407 CB ALA A 91 -5.982 -5.616 -8.274 1.00 12.42 C ATOM 0 H ALA A 91 -5.468 -8.303 -8.786 1.00 12.00 H new ATOM 0 HA ALA A 91 -4.112 -5.719 -9.317 1.00 0.22 H new ATOM 0 HB1 ALA A 91 -5.730 -4.697 -7.745 1.00 12.42 H new ATOM 0 HB2 ALA A 91 -6.542 -5.373 -9.177 1.00 12.42 H new ATOM 0 HB3 ALA A 91 -6.590 -6.251 -7.629 1.00 12.42 H new ATOM 1413 N LEU A 92 -2.923 -5.736 -7.099 1.00 4.13 N ATOM 1414 CA LEU A 92 -2.071 -5.891 -5.920 1.00 3.33 C ATOM 1415 C LEU A 92 -2.788 -5.397 -4.657 1.00 2.11 C ATOM 1416 O LEU A 92 -3.157 -4.222 -4.553 1.00 14.23 O ATOM 1417 CB LEU A 92 -0.747 -5.138 -6.111 1.00 21.43 C ATOM 1418 CG LEU A 92 0.238 -5.227 -4.929 1.00 4.42 C ATOM 1419 CD1 LEU A 92 0.790 -6.644 -4.790 1.00 40.41 C ATOM 1420 CD2 LEU A 92 1.369 -4.210 -5.088 1.00 1.21 C ATOM 0 H LEU A 92 -2.744 -4.892 -7.643 1.00 4.13 H new ATOM 0 HA LEU A 92 -1.855 -6.952 -5.796 1.00 3.33 H new ATOM 0 HB2 LEU A 92 -0.254 -5.524 -7.003 1.00 21.43 H new ATOM 0 HB3 LEU A 92 -0.969 -4.088 -6.299 1.00 21.43 H new ATOM 0 HG LEU A 92 -0.304 -4.986 -4.014 1.00 4.42 H new ATOM 0 HD11 LEU A 92 1.483 -6.684 -3.950 1.00 40.41 H new ATOM 0 HD12 LEU A 92 -0.031 -7.339 -4.616 1.00 40.41 H new ATOM 0 HD13 LEU A 92 1.313 -6.922 -5.705 1.00 40.41 H new ATOM 0 HD21 LEU A 92 2.052 -4.291 -4.243 1.00 1.21 H new ATOM 0 HD22 LEU A 92 1.911 -4.410 -6.013 1.00 1.21 H new ATOM 0 HD23 LEU A 92 0.951 -3.204 -5.122 1.00 1.21 H new ATOM 1432 N TYR A 93 -3.006 -6.308 -3.714 1.00 2.45 N ATOM 1433 CA TYR A 93 -3.633 -5.971 -2.434 1.00 21.03 C ATOM 1434 C TYR A 93 -2.618 -6.080 -1.288 1.00 32.35 C ATOM 1435 O TYR A 93 -1.698 -6.901 -1.333 1.00 45.20 O ATOM 1436 CB TYR A 93 -4.839 -6.881 -2.168 1.00 1.15 C ATOM 1437 CG TYR A 93 -6.025 -6.616 -3.083 1.00 34.01 C ATOM 1438 CD1 TYR A 93 -6.060 -7.123 -4.377 1.00 33.21 C ATOM 1439 CD2 TYR A 93 -7.108 -5.856 -2.652 1.00 12.12 C ATOM 1440 CE1 TYR A 93 -7.135 -6.882 -5.209 1.00 44.40 C ATOM 1441 CE2 TYR A 93 -8.188 -5.612 -3.480 1.00 40.02 C ATOM 1442 CZ TYR A 93 -8.195 -6.127 -4.758 1.00 70.43 C ATOM 1443 OH TYR A 93 -9.268 -5.889 -5.588 1.00 20.22 O ATOM 0 H TYR A 93 -2.757 -7.292 -3.810 1.00 2.45 H new ATOM 0 HA TYR A 93 -3.983 -4.940 -2.487 1.00 21.03 H new ATOM 0 HB2 TYR A 93 -4.530 -7.920 -2.282 1.00 1.15 H new ATOM 0 HB3 TYR A 93 -5.156 -6.754 -1.133 1.00 1.15 H new ATOM 0 HD1 TYR A 93 -5.232 -7.715 -4.738 1.00 33.21 H new ATOM 0 HD2 TYR A 93 -7.105 -5.449 -1.652 1.00 12.12 H new ATOM 0 HE1 TYR A 93 -7.145 -7.285 -6.211 1.00 44.40 H new ATOM 0 HE2 TYR A 93 -9.021 -5.022 -3.127 1.00 40.02 H new ATOM 0 HH TYR A 93 -9.931 -5.341 -5.117 1.00 20.22 H new ATOM 1453 N LEU A 94 -2.790 -5.248 -0.265 1.00 50.11 N ATOM 1454 CA LEU A 94 -1.824 -5.163 0.839 1.00 11.25 C ATOM 1455 C LEU A 94 -2.492 -5.392 2.208 1.00 31.32 C ATOM 1456 O LEU A 94 -3.680 -5.124 2.381 1.00 44.30 O ATOM 1457 CB LEU A 94 -1.161 -3.774 0.828 1.00 62.40 C ATOM 1458 CG LEU A 94 -0.611 -3.314 -0.534 1.00 43.23 C ATOM 1459 CD1 LEU A 94 -0.068 -1.890 -0.445 1.00 74.40 C ATOM 1460 CD2 LEU A 94 0.465 -4.272 -1.039 1.00 70.14 C ATOM 0 H LEU A 94 -3.589 -4.620 -0.173 1.00 50.11 H new ATOM 0 HA LEU A 94 -1.081 -5.947 0.692 1.00 11.25 H new ATOM 0 HB2 LEU A 94 -1.889 -3.040 1.173 1.00 62.40 H new ATOM 0 HB3 LEU A 94 -0.344 -3.775 1.549 1.00 62.40 H new ATOM 0 HG LEU A 94 -1.433 -3.321 -1.250 1.00 43.23 H new ATOM 0 HD11 LEU A 94 0.316 -1.585 -1.419 1.00 74.40 H new ATOM 0 HD12 LEU A 94 -0.868 -1.214 -0.142 1.00 74.40 H new ATOM 0 HD13 LEU A 94 0.736 -1.853 0.290 1.00 74.40 H new ATOM 0 HD21 LEU A 94 0.838 -3.925 -2.003 1.00 70.14 H new ATOM 0 HD22 LEU A 94 1.286 -4.306 -0.323 1.00 70.14 H new ATOM 0 HD23 LEU A 94 0.040 -5.269 -1.152 1.00 70.14 H new ATOM 1472 N ARG A 95 -1.717 -5.889 3.175 1.00 50.13 N ATOM 1473 CA ARG A 95 -2.176 -5.985 4.571 1.00 4.20 C ATOM 1474 C ARG A 95 -1.021 -5.727 5.556 1.00 55.04 C ATOM 1475 O ARG A 95 0.152 -5.810 5.193 1.00 40.34 O ATOM 1476 CB ARG A 95 -2.861 -7.336 4.856 1.00 0.14 C ATOM 1477 CG ARG A 95 -2.061 -8.570 4.449 1.00 42.03 C ATOM 1478 CD ARG A 95 -2.795 -9.856 4.829 1.00 15.14 C ATOM 1479 NE ARG A 95 -2.202 -11.043 4.216 1.00 54.45 N ATOM 1480 CZ ARG A 95 -2.736 -12.233 4.267 1.00 23.03 C ATOM 1481 NH1 ARG A 95 -3.826 -12.440 4.937 1.00 50.34 N ATOM 1482 NH2 ARG A 95 -2.182 -13.214 3.635 1.00 42.12 N ATOM 0 H ARG A 95 -0.769 -6.232 3.021 1.00 50.13 H new ATOM 0 HA ARG A 95 -2.923 -5.206 4.720 1.00 4.20 H new ATOM 0 HB2 ARG A 95 -3.076 -7.398 5.923 1.00 0.14 H new ATOM 0 HB3 ARG A 95 -3.819 -7.356 4.336 1.00 0.14 H new ATOM 0 HG2 ARG A 95 -1.884 -8.553 3.374 1.00 42.03 H new ATOM 0 HG3 ARG A 95 -1.084 -8.549 4.933 1.00 42.03 H new ATOM 0 HD2 ARG A 95 -2.786 -9.968 5.913 1.00 15.14 H new ATOM 0 HD3 ARG A 95 -3.839 -9.778 4.525 1.00 15.14 H new ATOM 0 HE ARG A 95 -1.318 -10.935 3.719 1.00 54.45 H new ATOM 0 HH11 ARG A 95 -4.275 -11.669 5.431 1.00 50.34 H new ATOM 0 HH12 ARG A 95 -4.235 -13.374 4.970 1.00 50.34 H new ATOM 0 HH21 ARG A 95 -1.329 -13.058 3.098 1.00 42.12 H new ATOM 0 HH22 ARG A 95 -2.597 -14.145 3.673 1.00 42.12 H new ATOM 1496 N ALA A 96 -1.368 -5.408 6.803 1.00 32.03 N ATOM 1497 CA ALA A 96 -0.389 -4.949 7.802 1.00 31.11 C ATOM 1498 C ALA A 96 0.449 -6.092 8.401 1.00 64.23 C ATOM 1499 O ALA A 96 -0.019 -7.223 8.540 1.00 25.32 O ATOM 1500 CB ALA A 96 -1.107 -4.189 8.915 1.00 4.34 C ATOM 0 H ALA A 96 -2.325 -5.458 7.152 1.00 32.03 H new ATOM 0 HA ALA A 96 0.308 -4.291 7.283 1.00 31.11 H new ATOM 0 HB1 ALA A 96 -0.379 -3.851 9.653 1.00 4.34 H new ATOM 0 HB2 ALA A 96 -1.623 -3.327 8.493 1.00 4.34 H new ATOM 0 HB3 ALA A 96 -1.832 -4.846 9.395 1.00 4.34 H new ATOM 1506 N LYS A 97 1.697 -5.778 8.751 1.00 70.55 N ATOM 1507 CA LYS A 97 2.588 -6.723 9.435 1.00 24.14 C ATOM 1508 C LYS A 97 2.390 -6.670 10.958 1.00 0.22 C ATOM 1509 O LYS A 97 2.745 -5.684 11.606 1.00 70.50 O ATOM 1510 CB LYS A 97 4.052 -6.405 9.091 1.00 40.14 C ATOM 1511 CG LYS A 97 5.079 -7.192 9.908 1.00 50.21 C ATOM 1512 CD LYS A 97 5.057 -8.687 9.601 1.00 23.24 C ATOM 1513 CE LYS A 97 5.429 -8.972 8.152 1.00 43.35 C ATOM 1514 NZ LYS A 97 5.639 -10.422 7.907 1.00 34.50 N ATOM 0 H LYS A 97 2.119 -4.867 8.571 1.00 70.55 H new ATOM 0 HA LYS A 97 2.342 -7.728 9.093 1.00 24.14 H new ATOM 0 HB2 LYS A 97 4.216 -6.607 8.033 1.00 40.14 H new ATOM 0 HB3 LYS A 97 4.225 -5.339 9.242 1.00 40.14 H new ATOM 0 HG2 LYS A 97 6.075 -6.799 9.707 1.00 50.21 H new ATOM 0 HG3 LYS A 97 4.885 -7.041 10.970 1.00 50.21 H new ATOM 0 HD2 LYS A 97 5.751 -9.204 10.263 1.00 23.24 H new ATOM 0 HD3 LYS A 97 4.064 -9.086 9.806 1.00 23.24 H new ATOM 0 HE2 LYS A 97 4.640 -8.604 7.496 1.00 43.35 H new ATOM 0 HE3 LYS A 97 6.337 -8.426 7.896 1.00 43.35 H new ATOM 0 HZ1 LYS A 97 5.890 -10.573 6.909 1.00 34.50 H new ATOM 0 HZ2 LYS A 97 6.409 -10.769 8.514 1.00 34.50 H new ATOM 0 HZ3 LYS A 97 4.765 -10.941 8.126 1.00 34.50 H new ATOM 1528 N LEU A 98 1.806 -7.730 11.515 1.00 74.14 N ATOM 1529 CA LEU A 98 1.638 -7.854 12.971 1.00 41.23 C ATOM 1530 C LEU A 98 2.101 -9.237 13.460 1.00 40.41 C ATOM 1531 O LEU A 98 1.360 -10.219 13.368 1.00 32.43 O ATOM 1532 CB LEU A 98 0.166 -7.631 13.368 1.00 41.53 C ATOM 1533 CG LEU A 98 -0.421 -6.249 13.019 1.00 54.10 C ATOM 1534 CD1 LEU A 98 -1.916 -6.199 13.337 1.00 54.44 C ATOM 1535 CD2 LEU A 98 0.324 -5.139 13.761 1.00 45.23 C ATOM 0 H LEU A 98 1.439 -8.519 10.983 1.00 74.14 H new ATOM 0 HA LEU A 98 2.254 -7.089 13.444 1.00 41.23 H new ATOM 0 HB2 LEU A 98 -0.441 -8.396 12.883 1.00 41.53 H new ATOM 0 HB3 LEU A 98 0.072 -7.784 14.443 1.00 41.53 H new ATOM 0 HG LEU A 98 -0.293 -6.089 11.948 1.00 54.10 H new ATOM 0 HD11 LEU A 98 -2.309 -5.215 13.083 1.00 54.44 H new ATOM 0 HD12 LEU A 98 -2.437 -6.959 12.755 1.00 54.44 H new ATOM 0 HD13 LEU A 98 -2.068 -6.387 14.400 1.00 54.44 H new ATOM 0 HD21 LEU A 98 -0.108 -4.173 13.499 1.00 45.23 H new ATOM 0 HD22 LEU A 98 0.235 -5.297 14.836 1.00 45.23 H new ATOM 0 HD23 LEU A 98 1.376 -5.155 13.478 1.00 45.23 H new ATOM 1547 N GLU A 99 3.320 -9.308 13.987 1.00 31.00 N ATOM 1548 CA GLU A 99 3.878 -10.568 14.494 1.00 33.14 C ATOM 1549 C GLU A 99 4.221 -10.465 15.991 1.00 2.44 C ATOM 1550 O GLU A 99 4.009 -9.426 16.623 1.00 20.31 O ATOM 1551 CB GLU A 99 5.132 -10.981 13.692 1.00 74.13 C ATOM 1552 CG GLU A 99 6.396 -10.165 13.990 1.00 2.31 C ATOM 1553 CD GLU A 99 6.385 -8.762 13.392 1.00 13.50 C ATOM 1554 OE1 GLU A 99 5.670 -7.887 13.923 1.00 1.32 O ATOM 1555 OE2 GLU A 99 7.124 -8.521 12.417 1.00 22.23 O ATOM 0 H GLU A 99 3.946 -8.508 14.076 1.00 31.00 H new ATOM 0 HA GLU A 99 3.114 -11.335 14.368 1.00 33.14 H new ATOM 0 HB2 GLU A 99 5.342 -12.032 13.892 1.00 74.13 H new ATOM 0 HB3 GLU A 99 4.907 -10.898 12.629 1.00 74.13 H new ATOM 0 HG2 GLU A 99 6.519 -10.087 15.070 1.00 2.31 H new ATOM 0 HG3 GLU A 99 7.263 -10.705 13.608 1.00 2.31 H new ATOM 1562 N HIS A 100 4.751 -11.544 16.559 1.00 73.11 N ATOM 1563 CA HIS A 100 5.116 -11.567 17.978 1.00 55.41 C ATOM 1564 C HIS A 100 6.520 -10.993 18.233 1.00 74.22 C ATOM 1565 O HIS A 100 7.532 -11.662 18.018 1.00 2.43 O ATOM 1566 CB HIS A 100 5.031 -12.995 18.539 1.00 25.02 C ATOM 1567 CG HIS A 100 3.628 -13.460 18.796 1.00 11.55 C ATOM 1568 ND1 HIS A 100 2.828 -14.031 17.830 1.00 45.00 N ATOM 1569 CD2 HIS A 100 2.883 -13.439 19.929 1.00 24.15 C ATOM 1570 CE1 HIS A 100 1.658 -14.338 18.354 1.00 23.14 C ATOM 1571 NE2 HIS A 100 1.665 -13.991 19.626 1.00 2.24 N ATOM 0 H HIS A 100 4.939 -12.415 16.062 1.00 73.11 H new ATOM 0 HA HIS A 100 4.398 -10.929 18.494 1.00 55.41 H new ATOM 0 HB2 HIS A 100 5.509 -13.680 17.838 1.00 25.02 H new ATOM 0 HB3 HIS A 100 5.597 -13.045 19.469 1.00 25.02 H new ATOM 0 HD2 HIS A 100 3.192 -13.058 20.891 1.00 24.15 H new ATOM 0 HE1 HIS A 100 0.833 -14.797 17.830 1.00 23.14 H new ATOM 0 HE2 HIS A 100 0.890 -14.113 20.278 1.00 2.24 H new ATOM 1580 N HIS A 101 6.576 -9.739 18.673 1.00 35.11 N ATOM 1581 CA HIS A 101 7.811 -9.168 19.218 1.00 54.23 C ATOM 1582 C HIS A 101 7.820 -9.358 20.741 1.00 41.24 C ATOM 1583 O HIS A 101 7.362 -8.493 21.487 1.00 14.31 O ATOM 1584 CB HIS A 101 7.940 -7.677 18.874 1.00 74.50 C ATOM 1585 CG HIS A 101 8.067 -7.382 17.407 1.00 61.52 C ATOM 1586 ND1 HIS A 101 9.276 -7.363 16.745 1.00 2.02 N ATOM 1587 CD2 HIS A 101 7.132 -7.072 16.476 1.00 42.21 C ATOM 1588 CE1 HIS A 101 9.081 -7.054 15.477 1.00 12.45 C ATOM 1589 NE2 HIS A 101 7.790 -6.873 15.288 1.00 41.32 N ATOM 0 H HIS A 101 5.783 -9.097 18.664 1.00 35.11 H new ATOM 0 HA HIS A 101 8.660 -9.684 18.771 1.00 54.23 H new ATOM 0 HB2 HIS A 101 7.068 -7.151 19.263 1.00 74.50 H new ATOM 0 HB3 HIS A 101 8.811 -7.273 19.389 1.00 74.50 H new ATOM 0 HD2 HIS A 101 6.067 -6.996 16.639 1.00 42.21 H new ATOM 0 HE1 HIS A 101 9.849 -6.965 14.723 1.00 12.45 H new ATOM 0 HE2 HIS A 101 7.350 -6.625 14.402 1.00 41.32 H new ATOM 1598 N HIS A 102 8.328 -10.504 21.196 1.00 23.14 N ATOM 1599 CA HIS A 102 8.232 -10.893 22.611 1.00 1.44 C ATOM 1600 C HIS A 102 9.226 -10.123 23.506 1.00 22.43 C ATOM 1601 O HIS A 102 9.345 -10.399 24.702 1.00 21.31 O ATOM 1602 CB HIS A 102 8.433 -12.410 22.748 1.00 62.15 C ATOM 1603 CG HIS A 102 8.035 -12.961 24.085 1.00 65.05 C ATOM 1604 ND1 HIS A 102 6.806 -12.726 24.660 1.00 42.31 N ATOM 1605 CD2 HIS A 102 8.710 -13.739 24.960 1.00 62.31 C ATOM 1606 CE1 HIS A 102 6.742 -13.334 25.825 1.00 51.45 C ATOM 1607 NE2 HIS A 102 7.883 -13.957 26.034 1.00 72.15 N ATOM 0 H HIS A 102 8.811 -11.182 20.608 1.00 23.14 H new ATOM 0 HA HIS A 102 7.234 -10.627 22.959 1.00 1.44 H new ATOM 0 HB2 HIS A 102 7.856 -12.914 21.973 1.00 62.15 H new ATOM 0 HB3 HIS A 102 9.482 -12.645 22.568 1.00 62.15 H new ATOM 0 HD2 HIS A 102 9.714 -14.119 24.837 1.00 62.31 H new ATOM 0 HE1 HIS A 102 5.896 -13.324 26.497 1.00 51.45 H new ATOM 0 HE2 HIS A 102 8.115 -14.511 26.859 1.00 72.15 H new ATOM 1616 N HIS A 103 9.936 -9.159 22.929 1.00 42.34 N ATOM 1617 CA HIS A 103 10.827 -8.282 23.701 1.00 5.32 C ATOM 1618 C HIS A 103 10.418 -6.806 23.550 1.00 12.52 C ATOM 1619 O HIS A 103 10.305 -6.076 24.535 1.00 71.42 O ATOM 1620 CB HIS A 103 12.283 -8.468 23.265 1.00 51.32 C ATOM 1621 CG HIS A 103 12.810 -9.856 23.480 1.00 62.12 C ATOM 1622 ND1 HIS A 103 13.553 -10.533 22.538 1.00 13.41 N ATOM 1623 CD2 HIS A 103 12.713 -10.688 24.545 1.00 33.02 C ATOM 1624 CE1 HIS A 103 13.888 -11.717 23.011 1.00 64.22 C ATOM 1625 NE2 HIS A 103 13.392 -11.837 24.225 1.00 73.43 N ATOM 0 H HIS A 103 9.916 -8.960 21.929 1.00 42.34 H new ATOM 0 HA HIS A 103 10.736 -8.560 24.751 1.00 5.32 H new ATOM 0 HB2 HIS A 103 12.370 -8.217 22.208 1.00 51.32 H new ATOM 0 HB3 HIS A 103 12.909 -7.764 23.813 1.00 51.32 H new ATOM 0 HD2 HIS A 103 12.198 -10.485 25.472 1.00 33.02 H new ATOM 0 HE1 HIS A 103 14.471 -12.463 22.491 1.00 64.22 H new ATOM 0 HE2 HIS A 103 13.496 -12.652 24.830 1.00 73.43 H new ATOM 1634 N HIS A 104 10.203 -6.367 22.308 1.00 54.13 N ATOM 1635 CA HIS A 104 9.768 -4.988 22.036 1.00 70.53 C ATOM 1636 C HIS A 104 8.450 -4.957 21.249 1.00 61.14 C ATOM 1637 O HIS A 104 8.453 -4.899 20.017 1.00 54.21 O ATOM 1638 CB HIS A 104 10.847 -4.218 21.260 1.00 72.22 C ATOM 1639 CG HIS A 104 12.152 -4.103 21.987 1.00 1.52 C ATOM 1640 ND1 HIS A 104 12.300 -3.391 23.155 1.00 60.22 N ATOM 1641 CD2 HIS A 104 13.376 -4.612 21.706 1.00 52.22 C ATOM 1642 CE1 HIS A 104 13.548 -3.462 23.560 1.00 15.22 C ATOM 1643 NE2 HIS A 104 14.223 -4.196 22.703 1.00 20.34 N ATOM 0 H HIS A 104 10.322 -6.942 21.474 1.00 54.13 H new ATOM 0 HA HIS A 104 9.606 -4.507 23.000 1.00 70.53 H new ATOM 0 HB2 HIS A 104 11.017 -4.714 20.304 1.00 72.22 H new ATOM 0 HB3 HIS A 104 10.477 -3.217 21.038 1.00 72.22 H new ATOM 0 HD2 HIS A 104 13.636 -5.228 20.858 1.00 52.22 H new ATOM 0 HE1 HIS A 104 13.951 -2.996 24.447 1.00 15.22 H new ATOM 0 HE2 HIS A 104 15.216 -4.420 22.768 1.00 20.34 H new ATOM 1652 N HIS A 105 7.327 -5.017 21.960 1.00 24.10 N ATOM 1653 CA HIS A 105 6.002 -4.976 21.322 1.00 44.15 C ATOM 1654 C HIS A 105 5.372 -3.569 21.432 1.00 64.14 C ATOM 1655 O HIS A 105 5.543 -2.756 20.492 1.00 37.09 O ATOM 1656 CB HIS A 105 5.077 -6.031 21.955 1.00 33.33 C ATOM 1657 CG HIS A 105 3.767 -6.196 21.241 1.00 13.53 C ATOM 1658 ND1 HIS A 105 2.690 -5.363 21.442 1.00 64.11 N ATOM 1659 CD2 HIS A 105 3.367 -7.102 20.314 1.00 73.11 C ATOM 1660 CE1 HIS A 105 1.687 -5.746 20.679 1.00 34.40 C ATOM 1661 NE2 HIS A 105 2.070 -6.796 19.984 1.00 32.33 N ATOM 1662 OXT HIS A 105 4.717 -3.279 22.458 1.00 37.09 O ATOM 0 H HIS A 105 7.302 -5.094 22.977 1.00 24.10 H new ATOM 0 HA HIS A 105 6.127 -5.204 20.263 1.00 44.15 H new ATOM 0 HB2 HIS A 105 5.594 -6.990 21.972 1.00 33.33 H new ATOM 0 HB3 HIS A 105 4.883 -5.755 22.991 1.00 33.33 H new ATOM 0 HD2 HIS A 105 3.958 -7.912 19.911 1.00 73.11 H new ATOM 0 HE1 HIS A 105 0.715 -5.278 20.632 1.00 34.40 H new ATOM 0 HE2 HIS A 105 1.496 -7.301 19.309 1.00 32.33 H new TER 1671 HIS A 105