USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 524 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 56 TYR OH : rot -30:sc= 0.172 USER MOD Set 1.2: A 67 SER OG : rot -83:sc= 0.0777 USER MOD Set 1.3: A 71 THR OG1 : rot 154:sc= 1.03 USER MOD Set 2.1: A 40 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-2.7) USER MOD Set 2.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= -1.63 USER MOD Set 3.2: A 45 TYR OH : rot 11:sc= 0.799 USER MOD Set 3.3: A 73 HIS : no HE2:sc= -3.4! C(o=-4.2!,f=-6.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -65:sc= -0.291 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.161 USER MOD Single : A 32 SER OG : rot -42:sc= 0.0012 USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= 1.62 (180deg=-0.172) USER MOD Single : A 35 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.066) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -1.04 K(o=-1,f=-6.4!) USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -0.295 (180deg=-1.22!) USER MOD Single : A 50 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= -0.423 (180deg=-1.39!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 84 TYR OH : rot 180:sc= -2.06! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-1.8) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 22 1.453 -5.898 4.399 1.00 0.68 N ATOM 2 CA PRO A 22 2.797 -6.470 4.485 1.00 0.81 C ATOM 3 C PRO A 22 3.718 -5.659 5.396 1.00 0.62 C ATOM 4 O PRO A 22 4.766 -6.140 5.825 1.00 0.76 O ATOM 5 CB PRO A 22 3.313 -6.420 3.040 1.00 0.95 C ATOM 6 CG PRO A 22 2.121 -6.117 2.202 1.00 0.89 C ATOM 7 CD PRO A 22 1.196 -5.333 3.075 1.00 0.64 C ATOM 0 HA PRO A 22 2.776 -7.474 4.910 1.00 0.81 H new ATOM 0 HB2 PRO A 22 4.080 -5.654 2.923 1.00 0.95 H new ATOM 0 HB3 PRO A 22 3.764 -7.369 2.751 1.00 0.95 H new ATOM 0 HG2 PRO A 22 2.401 -5.546 1.317 1.00 0.89 H new ATOM 0 HG3 PRO A 22 1.646 -7.034 1.853 1.00 0.89 H new ATOM 0 HD2 PRO A 22 1.413 -4.265 3.041 1.00 0.64 H new ATOM 0 HD3 PRO A 22 0.155 -5.456 2.777 1.00 0.64 H new ATOM 15 N TYR A 23 3.311 -4.428 5.690 1.00 0.49 N ATOM 16 CA TYR A 23 4.087 -3.549 6.555 1.00 0.51 C ATOM 17 C TYR A 23 3.301 -3.209 7.813 1.00 0.77 C ATOM 18 O TYR A 23 2.079 -3.067 7.766 1.00 1.47 O ATOM 19 CB TYR A 23 4.468 -2.280 5.800 1.00 0.50 C ATOM 20 CG TYR A 23 5.126 -2.576 4.476 1.00 0.32 C ATOM 21 CD1 TYR A 23 6.051 -3.606 4.364 1.00 0.40 C ATOM 22 CD2 TYR A 23 4.817 -1.843 3.339 1.00 0.42 C ATOM 23 CE1 TYR A 23 6.650 -3.897 3.160 1.00 0.38 C ATOM 24 CE2 TYR A 23 5.412 -2.130 2.127 1.00 0.49 C ATOM 25 CZ TYR A 23 6.326 -3.158 2.041 1.00 0.32 C ATOM 26 OH TYR A 23 6.923 -3.448 0.835 1.00 0.58 O ATOM 0 H TYR A 23 2.446 -4.017 5.340 1.00 0.49 H new ATOM 0 HA TYR A 23 4.999 -4.065 6.854 1.00 0.51 H new ATOM 0 HB2 TYR A 23 3.575 -1.678 5.633 1.00 0.50 H new ATOM 0 HB3 TYR A 23 5.144 -1.684 6.414 1.00 0.50 H new ATOM 0 HD1 TYR A 23 6.305 -4.189 5.237 1.00 0.40 H new ATOM 0 HD2 TYR A 23 4.101 -1.037 3.403 1.00 0.42 H new ATOM 0 HE1 TYR A 23 7.370 -4.699 3.091 1.00 0.38 H new ATOM 0 HE2 TYR A 23 5.162 -1.551 1.250 1.00 0.49 H new ATOM 0 HH TYR A 23 6.585 -2.837 0.147 1.00 0.58 H new ATOM 36 N LYS A 24 3.993 -3.092 8.942 1.00 0.58 N ATOM 37 CA LYS A 24 3.321 -2.782 10.198 1.00 0.74 C ATOM 38 C LYS A 24 3.837 -1.496 10.837 1.00 0.46 C ATOM 39 O LYS A 24 3.057 -0.728 11.398 1.00 0.48 O ATOM 40 CB LYS A 24 3.459 -3.950 11.173 1.00 1.13 C ATOM 41 CG LYS A 24 2.747 -5.205 10.699 1.00 1.69 C ATOM 42 CD LYS A 24 1.243 -4.995 10.594 1.00 2.10 C ATOM 43 CE LYS A 24 0.550 -5.240 11.924 1.00 2.94 C ATOM 44 NZ LYS A 24 0.064 -6.642 12.044 1.00 3.49 N ATOM 0 H LYS A 24 5.004 -3.205 9.013 1.00 0.58 H new ATOM 0 HA LYS A 24 2.268 -2.623 9.967 1.00 0.74 H new ATOM 0 HB2 LYS A 24 4.516 -4.172 11.319 1.00 1.13 H new ATOM 0 HB3 LYS A 24 3.058 -3.656 12.143 1.00 1.13 H new ATOM 0 HG2 LYS A 24 3.141 -5.502 9.727 1.00 1.69 H new ATOM 0 HG3 LYS A 24 2.953 -6.023 11.390 1.00 1.69 H new ATOM 0 HD2 LYS A 24 1.040 -3.978 10.259 1.00 2.10 H new ATOM 0 HD3 LYS A 24 0.833 -5.667 9.840 1.00 2.10 H new ATOM 0 HE2 LYS A 24 1.241 -5.024 12.739 1.00 2.94 H new ATOM 0 HE3 LYS A 24 -0.290 -4.554 12.028 1.00 2.94 H new ATOM 0 HZ1 LYS A 24 -0.403 -6.770 12.964 1.00 3.49 H new ATOM 0 HZ2 LYS A 24 -0.614 -6.841 11.281 1.00 3.49 H new ATOM 0 HZ3 LYS A 24 0.869 -7.296 11.970 1.00 3.49 H new ATOM 58 N THR A 25 5.144 -1.254 10.758 1.00 0.51 N ATOM 59 CA THR A 25 5.723 -0.048 11.339 1.00 0.54 C ATOM 60 C THR A 25 6.527 0.737 10.304 1.00 0.71 C ATOM 61 O THR A 25 6.186 1.867 9.961 1.00 1.50 O ATOM 62 CB THR A 25 6.611 -0.411 12.530 1.00 0.71 C ATOM 63 OG1 THR A 25 7.808 -1.029 12.099 1.00 0.98 O ATOM 64 CG2 THR A 25 5.936 -1.346 13.507 1.00 0.57 C ATOM 0 H THR A 25 5.815 -1.871 10.302 1.00 0.51 H new ATOM 0 HA THR A 25 4.905 0.586 11.681 1.00 0.54 H new ATOM 0 HB THR A 25 6.820 0.533 13.034 1.00 0.71 H new ATOM 0 HG1 THR A 25 7.599 -1.888 11.677 1.00 0.98 H new ATOM 0 HG21 THR A 25 6.617 -1.566 14.329 1.00 0.57 H new ATOM 0 HG22 THR A 25 5.035 -0.874 13.898 1.00 0.57 H new ATOM 0 HG23 THR A 25 5.669 -2.273 12.999 1.00 0.57 H new ATOM 72 N LYS A 26 7.601 0.123 9.816 1.00 0.34 N ATOM 73 CA LYS A 26 8.471 0.747 8.823 1.00 0.34 C ATOM 74 C LYS A 26 9.598 -0.203 8.445 1.00 0.39 C ATOM 75 O LYS A 26 9.859 -0.436 7.264 1.00 0.42 O ATOM 76 CB LYS A 26 9.049 2.058 9.366 1.00 0.42 C ATOM 77 CG LYS A 26 9.685 2.936 8.306 1.00 0.66 C ATOM 78 CD LYS A 26 9.502 4.410 8.633 1.00 0.83 C ATOM 79 CE LYS A 26 10.741 5.004 9.279 1.00 0.99 C ATOM 80 NZ LYS A 26 10.517 6.409 9.715 1.00 1.34 N ATOM 0 H LYS A 26 7.892 -0.814 10.095 1.00 0.34 H new ATOM 0 HA LYS A 26 7.881 0.969 7.934 1.00 0.34 H new ATOM 0 HB2 LYS A 26 8.254 2.618 9.858 1.00 0.42 H new ATOM 0 HB3 LYS A 26 9.794 1.827 10.127 1.00 0.42 H new ATOM 0 HG2 LYS A 26 10.748 2.707 8.229 1.00 0.66 H new ATOM 0 HG3 LYS A 26 9.241 2.718 7.335 1.00 0.66 H new ATOM 0 HD2 LYS A 26 9.270 4.958 7.720 1.00 0.83 H new ATOM 0 HD3 LYS A 26 8.650 4.530 9.302 1.00 0.83 H new ATOM 0 HE2 LYS A 26 11.029 4.398 10.138 1.00 0.99 H new ATOM 0 HE3 LYS A 26 11.571 4.970 8.573 1.00 0.99 H new ATOM 0 HZ1 LYS A 26 11.385 6.780 10.151 1.00 1.34 H new ATOM 0 HZ2 LYS A 26 10.267 6.992 8.891 1.00 1.34 H new ATOM 0 HZ3 LYS A 26 9.742 6.438 10.408 1.00 1.34 H new ATOM 94 N SER A 27 10.257 -0.762 9.456 1.00 0.45 N ATOM 95 CA SER A 27 11.350 -1.699 9.227 1.00 0.54 C ATOM 96 C SER A 27 10.848 -2.933 8.479 1.00 0.50 C ATOM 97 O SER A 27 11.634 -3.673 7.887 1.00 0.52 O ATOM 98 CB SER A 27 11.989 -2.109 10.556 1.00 0.66 C ATOM 99 OG SER A 27 11.580 -1.249 11.606 1.00 1.66 O ATOM 0 H SER A 27 10.053 -0.582 10.439 1.00 0.45 H new ATOM 0 HA SER A 27 12.105 -1.205 8.615 1.00 0.54 H new ATOM 0 HB2 SER A 27 11.712 -3.136 10.794 1.00 0.66 H new ATOM 0 HB3 SER A 27 13.075 -2.084 10.464 1.00 0.66 H new ATOM 0 HG SER A 27 12.001 -1.533 12.444 1.00 1.66 H new ATOM 105 N ASP A 28 9.533 -3.144 8.501 1.00 0.49 N ATOM 106 CA ASP A 28 8.924 -4.277 7.817 1.00 0.49 C ATOM 107 C ASP A 28 9.065 -4.139 6.305 1.00 0.48 C ATOM 108 O ASP A 28 8.899 -5.110 5.566 1.00 0.66 O ATOM 109 CB ASP A 28 7.447 -4.394 8.196 1.00 0.50 C ATOM 110 CG ASP A 28 7.250 -5.082 9.534 1.00 1.20 C ATOM 111 OD1 ASP A 28 7.865 -6.149 9.749 1.00 1.87 O ATOM 112 OD2 ASP A 28 6.480 -4.557 10.364 1.00 1.58 O ATOM 0 H ASP A 28 8.869 -2.541 8.988 1.00 0.49 H new ATOM 0 HA ASP A 28 9.444 -5.182 8.131 1.00 0.49 H new ATOM 0 HB2 ASP A 28 7.003 -3.399 8.232 1.00 0.50 H new ATOM 0 HB3 ASP A 28 6.918 -4.951 7.422 1.00 0.50 H new ATOM 117 N LEU A 29 9.371 -2.928 5.843 1.00 0.42 N ATOM 118 CA LEU A 29 9.530 -2.676 4.416 1.00 0.42 C ATOM 119 C LEU A 29 10.560 -3.619 3.803 1.00 0.51 C ATOM 120 O LEU A 29 11.318 -4.275 4.517 1.00 0.59 O ATOM 121 CB LEU A 29 9.937 -1.225 4.178 1.00 0.40 C ATOM 122 CG LEU A 29 8.857 -0.201 4.516 1.00 0.30 C ATOM 123 CD1 LEU A 29 9.418 1.206 4.469 1.00 0.24 C ATOM 124 CD2 LEU A 29 7.674 -0.338 3.570 1.00 0.34 C ATOM 0 H LEU A 29 9.513 -2.110 6.435 1.00 0.42 H new ATOM 0 HA LEU A 29 8.571 -2.860 3.931 1.00 0.42 H new ATOM 0 HB2 LEU A 29 10.825 -1.008 4.772 1.00 0.40 H new ATOM 0 HB3 LEU A 29 10.217 -1.107 3.131 1.00 0.40 H new ATOM 0 HG LEU A 29 8.509 -0.395 5.531 1.00 0.30 H new ATOM 0 HD11 LEU A 29 8.631 1.920 4.713 1.00 0.24 H new ATOM 0 HD12 LEU A 29 10.229 1.299 5.191 1.00 0.24 H new ATOM 0 HD13 LEU A 29 9.798 1.413 3.469 1.00 0.24 H new ATOM 0 HD21 LEU A 29 6.915 0.401 3.827 1.00 0.34 H new ATOM 0 HD22 LEU A 29 8.007 -0.174 2.545 1.00 0.34 H new ATOM 0 HD23 LEU A 29 7.251 -1.339 3.659 1.00 0.34 H new ATOM 136 N PRO A 30 10.590 -3.709 2.465 1.00 0.50 N ATOM 137 CA PRO A 30 11.517 -4.584 1.750 1.00 0.55 C ATOM 138 C PRO A 30 12.965 -4.141 1.899 1.00 0.57 C ATOM 139 O PRO A 30 13.271 -2.950 1.853 1.00 0.98 O ATOM 140 CB PRO A 30 11.070 -4.469 0.287 1.00 0.53 C ATOM 141 CG PRO A 30 9.717 -3.863 0.334 1.00 0.58 C ATOM 142 CD PRO A 30 9.717 -2.977 1.538 1.00 0.48 C ATOM 0 HA PRO A 30 11.490 -5.603 2.137 1.00 0.55 H new ATOM 0 HB2 PRO A 30 11.759 -3.848 -0.286 1.00 0.53 H new ATOM 0 HB3 PRO A 30 11.046 -5.447 -0.194 1.00 0.53 H new ATOM 0 HG2 PRO A 30 9.511 -3.293 -0.572 1.00 0.58 H new ATOM 0 HG3 PRO A 30 8.946 -4.630 0.411 1.00 0.58 H new ATOM 0 HD2 PRO A 30 10.105 -1.984 1.312 1.00 0.48 H new ATOM 0 HD3 PRO A 30 8.714 -2.842 1.944 1.00 0.48 H new ATOM 150 N GLU A 31 13.854 -5.108 2.078 1.00 0.57 N ATOM 151 CA GLU A 31 15.273 -4.817 2.231 1.00 0.53 C ATOM 152 C GLU A 31 15.753 -3.888 1.118 1.00 0.32 C ATOM 153 O GLU A 31 16.375 -2.865 1.385 1.00 0.55 O ATOM 154 CB GLU A 31 16.082 -6.114 2.234 1.00 0.67 C ATOM 155 CG GLU A 31 15.873 -6.969 0.994 1.00 1.21 C ATOM 156 CD GLU A 31 15.902 -8.453 1.297 1.00 2.01 C ATOM 157 OE1 GLU A 31 15.100 -8.903 2.143 1.00 2.85 O ATOM 158 OE2 GLU A 31 16.725 -9.168 0.689 1.00 2.34 O ATOM 0 H GLU A 31 13.618 -6.100 2.121 1.00 0.57 H new ATOM 0 HA GLU A 31 15.423 -4.312 3.185 1.00 0.53 H new ATOM 0 HB2 GLU A 31 17.141 -5.871 2.322 1.00 0.67 H new ATOM 0 HB3 GLU A 31 15.814 -6.697 3.115 1.00 0.67 H new ATOM 0 HG2 GLU A 31 14.916 -6.714 0.538 1.00 1.21 H new ATOM 0 HG3 GLU A 31 16.647 -6.736 0.262 1.00 1.21 H new ATOM 165 N SER A 32 15.437 -4.238 -0.128 1.00 0.22 N ATOM 166 CA SER A 32 15.820 -3.420 -1.276 1.00 0.47 C ATOM 167 C SER A 32 15.221 -2.020 -1.179 1.00 0.72 C ATOM 168 O SER A 32 15.620 -1.109 -1.904 1.00 1.38 O ATOM 169 CB SER A 32 15.361 -4.082 -2.571 1.00 0.58 C ATOM 170 OG SER A 32 16.121 -3.625 -3.677 1.00 1.23 O ATOM 0 H SER A 32 14.917 -5.082 -0.367 1.00 0.22 H new ATOM 0 HA SER A 32 16.907 -3.333 -1.276 1.00 0.47 H new ATOM 0 HB2 SER A 32 15.456 -5.164 -2.483 1.00 0.58 H new ATOM 0 HB3 SER A 32 14.305 -3.868 -2.738 1.00 0.58 H new ATOM 0 HG SER A 32 16.252 -2.656 -3.606 1.00 1.23 H new ATOM 176 N VAL A 33 14.267 -1.858 -0.270 1.00 0.25 N ATOM 177 CA VAL A 33 13.613 -0.580 -0.055 1.00 0.32 C ATOM 178 C VAL A 33 14.273 0.146 1.111 1.00 0.34 C ATOM 179 O VAL A 33 14.691 1.298 0.988 1.00 0.45 O ATOM 180 CB VAL A 33 12.110 -0.779 0.219 1.00 0.36 C ATOM 181 CG1 VAL A 33 11.419 0.548 0.496 1.00 0.38 C ATOM 182 CG2 VAL A 33 11.462 -1.491 -0.960 1.00 0.48 C ATOM 0 H VAL A 33 13.929 -2.607 0.334 1.00 0.25 H new ATOM 0 HA VAL A 33 13.717 0.024 -0.956 1.00 0.32 H new ATOM 0 HB VAL A 33 11.999 -1.396 1.110 1.00 0.36 H new ATOM 0 HG11 VAL A 33 10.360 0.374 0.685 1.00 0.38 H new ATOM 0 HG12 VAL A 33 11.871 1.019 1.369 1.00 0.38 H new ATOM 0 HG13 VAL A 33 11.530 1.203 -0.368 1.00 0.38 H new ATOM 0 HG21 VAL A 33 10.399 -1.630 -0.762 1.00 0.48 H new ATOM 0 HG22 VAL A 33 11.588 -0.891 -1.861 1.00 0.48 H new ATOM 0 HG23 VAL A 33 11.934 -2.463 -1.102 1.00 0.48 H new ATOM 192 N LYS A 34 14.375 -0.545 2.240 1.00 0.34 N ATOM 193 CA LYS A 34 14.998 0.015 3.433 1.00 0.41 C ATOM 194 C LYS A 34 16.497 0.234 3.211 1.00 0.40 C ATOM 195 O LYS A 34 17.106 1.107 3.830 1.00 0.42 O ATOM 196 CB LYS A 34 14.788 -0.928 4.619 1.00 0.42 C ATOM 197 CG LYS A 34 13.328 -1.232 4.905 1.00 0.44 C ATOM 198 CD LYS A 34 13.177 -2.288 5.990 1.00 0.59 C ATOM 199 CE LYS A 34 13.951 -3.552 5.653 1.00 0.66 C ATOM 200 NZ LYS A 34 13.363 -4.756 6.304 1.00 1.25 N ATOM 0 H LYS A 34 14.032 -1.499 2.354 1.00 0.34 H new ATOM 0 HA LYS A 34 14.533 0.978 3.644 1.00 0.41 H new ATOM 0 HB2 LYS A 34 15.314 -1.863 4.426 1.00 0.42 H new ATOM 0 HB3 LYS A 34 15.239 -0.486 5.508 1.00 0.42 H new ATOM 0 HG2 LYS A 34 12.819 -0.318 5.213 1.00 0.44 H new ATOM 0 HG3 LYS A 34 12.842 -1.576 3.992 1.00 0.44 H new ATOM 0 HD2 LYS A 34 13.530 -1.887 6.940 1.00 0.59 H new ATOM 0 HD3 LYS A 34 12.122 -2.530 6.118 1.00 0.59 H new ATOM 0 HE2 LYS A 34 13.962 -3.693 4.572 1.00 0.66 H new ATOM 0 HE3 LYS A 34 14.988 -3.438 5.970 1.00 0.66 H new ATOM 0 HZ1 LYS A 34 14.105 -5.470 6.448 1.00 1.25 H new ATOM 0 HZ2 LYS A 34 12.956 -4.490 7.223 1.00 1.25 H new ATOM 0 HZ3 LYS A 34 12.617 -5.150 5.696 1.00 1.25 H new ATOM 214 N HIS A 35 17.086 -0.569 2.321 1.00 0.40 N ATOM 215 CA HIS A 35 18.516 -0.473 2.011 1.00 0.41 C ATOM 216 C HIS A 35 18.795 0.631 0.993 1.00 0.40 C ATOM 217 O HIS A 35 19.878 0.692 0.411 1.00 0.41 O ATOM 218 CB HIS A 35 19.036 -1.814 1.481 1.00 0.44 C ATOM 219 CG HIS A 35 19.968 -2.510 2.423 1.00 0.61 C ATOM 220 ND1 HIS A 35 20.907 -3.431 2.010 1.00 1.14 N ATOM 221 CD2 HIS A 35 20.100 -2.421 3.770 1.00 1.10 C ATOM 222 CE1 HIS A 35 21.575 -3.880 3.059 1.00 1.14 C ATOM 223 NE2 HIS A 35 21.104 -3.283 4.137 1.00 1.04 N ATOM 0 H HIS A 35 16.593 -1.295 1.801 1.00 0.40 H new ATOM 0 HA HIS A 35 19.039 -0.222 2.934 1.00 0.41 H new ATOM 0 HB2 HIS A 35 18.188 -2.467 1.274 1.00 0.44 H new ATOM 0 HB3 HIS A 35 19.548 -1.647 0.534 1.00 0.44 H new ATOM 0 HD2 HIS A 35 19.523 -1.790 4.430 1.00 1.10 H new ATOM 0 HE1 HIS A 35 22.370 -4.611 3.037 1.00 1.14 H new ATOM 0 HE2 HIS A 35 21.433 -3.437 5.090 1.00 1.04 H new ATOM 231 N VAL A 36 17.809 1.486 0.774 1.00 0.40 N ATOM 232 CA VAL A 36 17.927 2.579 -0.178 1.00 0.42 C ATOM 233 C VAL A 36 17.173 3.806 0.319 1.00 0.41 C ATOM 234 O VAL A 36 17.525 4.940 -0.012 1.00 0.54 O ATOM 235 CB VAL A 36 17.375 2.156 -1.549 1.00 0.45 C ATOM 236 CG1 VAL A 36 18.313 1.162 -2.216 1.00 0.62 C ATOM 237 CG2 VAL A 36 15.984 1.555 -1.393 1.00 0.49 C ATOM 0 H VAL A 36 16.907 1.443 1.249 1.00 0.40 H new ATOM 0 HA VAL A 36 18.983 2.829 -0.279 1.00 0.42 H new ATOM 0 HB VAL A 36 17.303 3.039 -2.184 1.00 0.45 H new ATOM 0 HG11 VAL A 36 17.907 0.873 -3.185 1.00 0.62 H new ATOM 0 HG12 VAL A 36 19.292 1.622 -2.355 1.00 0.62 H new ATOM 0 HG13 VAL A 36 18.414 0.278 -1.587 1.00 0.62 H new ATOM 0 HG21 VAL A 36 15.604 1.259 -2.371 1.00 0.49 H new ATOM 0 HG22 VAL A 36 16.036 0.681 -0.744 1.00 0.49 H new ATOM 0 HG23 VAL A 36 15.315 2.294 -0.952 1.00 0.49 H new ATOM 247 N LEU A 37 16.136 3.580 1.125 1.00 0.29 N ATOM 248 CA LEU A 37 15.348 4.666 1.669 1.00 0.27 C ATOM 249 C LEU A 37 15.960 5.187 2.958 1.00 0.33 C ATOM 250 O LEU A 37 16.316 4.429 3.861 1.00 0.43 O ATOM 251 CB LEU A 37 13.901 4.224 1.891 1.00 0.27 C ATOM 252 CG LEU A 37 12.894 4.723 0.847 1.00 0.24 C ATOM 253 CD1 LEU A 37 13.585 5.127 -0.449 1.00 0.25 C ATOM 254 CD2 LEU A 37 11.835 3.671 0.585 1.00 0.31 C ATOM 0 H LEU A 37 15.828 2.651 1.411 1.00 0.29 H new ATOM 0 HA LEU A 37 15.347 5.481 0.945 1.00 0.27 H new ATOM 0 HB2 LEU A 37 13.870 3.135 1.909 1.00 0.27 H new ATOM 0 HB3 LEU A 37 13.580 4.568 2.874 1.00 0.27 H new ATOM 0 HG LEU A 37 12.409 5.612 1.251 1.00 0.24 H new ATOM 0 HD11 LEU A 37 12.841 5.475 -1.165 1.00 0.25 H new ATOM 0 HD12 LEU A 37 14.297 5.927 -0.248 1.00 0.25 H new ATOM 0 HD13 LEU A 37 14.113 4.268 -0.863 1.00 0.25 H new ATOM 0 HD21 LEU A 37 11.129 4.042 -0.158 1.00 0.31 H new ATOM 0 HD22 LEU A 37 12.309 2.762 0.213 1.00 0.31 H new ATOM 0 HD23 LEU A 37 11.304 3.451 1.511 1.00 0.31 H new ATOM 266 N PRO A 38 16.108 6.510 3.025 1.00 0.33 N ATOM 267 CA PRO A 38 16.707 7.217 4.165 1.00 0.43 C ATOM 268 C PRO A 38 16.010 6.930 5.502 1.00 0.48 C ATOM 269 O PRO A 38 16.465 6.080 6.268 1.00 1.04 O ATOM 270 CB PRO A 38 16.574 8.689 3.750 1.00 0.44 C ATOM 271 CG PRO A 38 16.540 8.635 2.264 1.00 0.40 C ATOM 272 CD PRO A 38 15.722 7.435 1.949 1.00 0.29 C ATOM 0 HA PRO A 38 17.733 6.903 4.355 1.00 0.43 H new ATOM 0 HB2 PRO A 38 15.668 9.139 4.155 1.00 0.44 H new ATOM 0 HB3 PRO A 38 17.413 9.284 4.110 1.00 0.44 H new ATOM 0 HG2 PRO A 38 16.096 9.538 1.845 1.00 0.40 H new ATOM 0 HG3 PRO A 38 17.544 8.550 1.848 1.00 0.40 H new ATOM 0 HD2 PRO A 38 14.654 7.654 1.963 1.00 0.29 H new ATOM 0 HD3 PRO A 38 15.952 7.032 0.963 1.00 0.29 H new ATOM 280 N SER A 39 14.919 7.636 5.789 1.00 0.48 N ATOM 281 CA SER A 39 14.194 7.439 7.043 1.00 0.47 C ATOM 282 C SER A 39 12.704 7.691 6.853 1.00 0.40 C ATOM 283 O SER A 39 11.906 6.754 6.804 1.00 0.47 O ATOM 284 CB SER A 39 14.752 8.361 8.130 1.00 0.55 C ATOM 285 OG SER A 39 15.341 7.615 9.182 1.00 1.37 O ATOM 0 H SER A 39 14.519 8.345 5.175 1.00 0.48 H new ATOM 0 HA SER A 39 14.329 6.404 7.356 1.00 0.47 H new ATOM 0 HB2 SER A 39 15.494 9.031 7.696 1.00 0.55 H new ATOM 0 HB3 SER A 39 13.952 8.985 8.527 1.00 0.55 H new ATOM 0 HG SER A 39 15.691 8.228 9.862 1.00 1.37 H new ATOM 291 N HIS A 40 12.334 8.962 6.733 1.00 0.30 N ATOM 292 CA HIS A 40 10.939 9.333 6.535 1.00 0.27 C ATOM 293 C HIS A 40 10.398 8.755 5.229 1.00 0.21 C ATOM 294 O HIS A 40 9.189 8.735 5.007 1.00 0.23 O ATOM 295 CB HIS A 40 10.781 10.852 6.536 1.00 0.29 C ATOM 296 CG HIS A 40 9.359 11.294 6.646 1.00 0.33 C ATOM 297 ND1 HIS A 40 8.336 10.455 7.034 1.00 1.01 N ATOM 298 CD2 HIS A 40 8.787 12.494 6.405 1.00 0.87 C ATOM 299 CE1 HIS A 40 7.196 11.119 7.025 1.00 0.79 C ATOM 300 NE2 HIS A 40 7.442 12.359 6.648 1.00 0.57 N ATOM 0 H HIS A 40 12.980 9.750 6.769 1.00 0.30 H new ATOM 0 HA HIS A 40 10.364 8.917 7.362 1.00 0.27 H new ATOM 0 HB2 HIS A 40 11.350 11.270 7.366 1.00 0.29 H new ATOM 0 HB3 HIS A 40 11.211 11.256 5.620 1.00 0.29 H new ATOM 0 HD2 HIS A 40 9.293 13.392 6.082 1.00 0.87 H new ATOM 0 HE1 HIS A 40 6.227 10.716 7.282 1.00 0.79 H new ATOM 0 HE2 HIS A 40 6.746 13.098 6.552 1.00 0.57 H new ATOM 308 N ALA A 41 11.295 8.278 4.370 1.00 0.17 N ATOM 309 CA ALA A 41 10.898 7.697 3.094 1.00 0.15 C ATOM 310 C ALA A 41 10.203 6.360 3.303 1.00 0.16 C ATOM 311 O ALA A 41 9.317 5.983 2.539 1.00 0.32 O ATOM 312 CB ALA A 41 12.108 7.521 2.195 1.00 0.22 C ATOM 0 H ALA A 41 12.301 8.283 4.536 1.00 0.17 H new ATOM 0 HA ALA A 41 10.197 8.379 2.613 1.00 0.15 H new ATOM 0 HB1 ALA A 41 11.796 7.086 1.246 1.00 0.22 H new ATOM 0 HB2 ALA A 41 12.572 8.491 2.015 1.00 0.22 H new ATOM 0 HB3 ALA A 41 12.827 6.859 2.678 1.00 0.22 H new ATOM 318 N GLN A 42 10.613 5.650 4.345 1.00 0.10 N ATOM 319 CA GLN A 42 10.030 4.357 4.668 1.00 0.10 C ATOM 320 C GLN A 42 8.621 4.544 5.205 1.00 0.13 C ATOM 321 O GLN A 42 7.713 3.777 4.882 1.00 0.16 O ATOM 322 CB GLN A 42 10.917 3.633 5.677 1.00 0.13 C ATOM 323 CG GLN A 42 12.343 3.490 5.184 1.00 0.14 C ATOM 324 CD GLN A 42 13.374 3.847 6.238 1.00 0.16 C ATOM 325 OE1 GLN A 42 13.067 3.904 7.429 1.00 0.19 O ATOM 326 NE2 GLN A 42 14.606 4.088 5.805 1.00 0.23 N ATOM 0 H GLN A 42 11.350 5.950 4.983 1.00 0.10 H new ATOM 0 HA GLN A 42 9.968 3.746 3.767 1.00 0.10 H new ATOM 0 HB2 GLN A 42 10.913 4.180 6.620 1.00 0.13 H new ATOM 0 HB3 GLN A 42 10.503 2.645 5.879 1.00 0.13 H new ATOM 0 HG2 GLN A 42 12.507 2.463 4.857 1.00 0.14 H new ATOM 0 HG3 GLN A 42 12.486 4.129 4.313 1.00 0.14 H new ATOM 0 HE21 GLN A 42 14.817 4.030 4.809 1.00 0.23 H new ATOM 0 HE22 GLN A 42 15.341 4.331 6.469 1.00 0.23 H new ATOM 335 N ASP A 43 8.431 5.598 5.992 1.00 0.16 N ATOM 336 CA ASP A 43 7.118 5.912 6.530 1.00 0.22 C ATOM 337 C ASP A 43 6.234 6.319 5.366 1.00 0.20 C ATOM 338 O ASP A 43 5.080 5.911 5.255 1.00 0.23 O ATOM 339 CB ASP A 43 7.210 7.041 7.558 1.00 0.27 C ATOM 340 CG ASP A 43 5.890 7.291 8.262 1.00 0.32 C ATOM 341 OD1 ASP A 43 5.172 6.310 8.544 1.00 0.59 O ATOM 342 OD2 ASP A 43 5.576 8.469 8.530 1.00 0.61 O ATOM 0 H ASP A 43 9.169 6.246 6.269 1.00 0.16 H new ATOM 0 HA ASP A 43 6.700 5.045 7.041 1.00 0.22 H new ATOM 0 HB2 ASP A 43 7.972 6.794 8.297 1.00 0.27 H new ATOM 0 HB3 ASP A 43 7.533 7.956 7.061 1.00 0.27 H new ATOM 347 N ILE A 44 6.836 7.096 4.470 1.00 0.18 N ATOM 348 CA ILE A 44 6.176 7.542 3.260 1.00 0.16 C ATOM 349 C ILE A 44 5.817 6.325 2.432 1.00 0.14 C ATOM 350 O ILE A 44 4.660 6.104 2.070 1.00 0.16 O ATOM 351 CB ILE A 44 7.120 8.454 2.452 1.00 0.16 C ATOM 352 CG1 ILE A 44 7.225 9.808 3.138 1.00 0.22 C ATOM 353 CG2 ILE A 44 6.639 8.619 1.012 1.00 0.17 C ATOM 354 CD1 ILE A 44 8.285 10.703 2.547 1.00 0.26 C ATOM 0 H ILE A 44 7.795 7.431 4.568 1.00 0.18 H new ATOM 0 HA ILE A 44 5.277 8.104 3.515 1.00 0.16 H new ATOM 0 HB ILE A 44 8.105 7.988 2.415 1.00 0.16 H new ATOM 0 HG12 ILE A 44 6.261 10.312 3.078 1.00 0.22 H new ATOM 0 HG13 ILE A 44 7.439 9.655 4.196 1.00 0.22 H new ATOM 0 HG21 ILE A 44 7.327 9.268 0.471 1.00 0.17 H new ATOM 0 HG22 ILE A 44 6.602 7.644 0.527 1.00 0.17 H new ATOM 0 HG23 ILE A 44 5.644 9.063 1.010 1.00 0.17 H new ATOM 0 HD11 ILE A 44 8.303 11.650 3.086 1.00 0.26 H new ATOM 0 HD12 ILE A 44 9.258 10.219 2.631 1.00 0.26 H new ATOM 0 HD13 ILE A 44 8.061 10.887 1.496 1.00 0.26 H new ATOM 366 N TYR A 45 6.838 5.529 2.167 1.00 0.17 N ATOM 367 CA TYR A 45 6.696 4.298 1.406 1.00 0.15 C ATOM 368 C TYR A 45 5.597 3.422 2.002 1.00 0.14 C ATOM 369 O TYR A 45 4.596 3.134 1.352 1.00 0.19 O ATOM 370 CB TYR A 45 8.018 3.542 1.404 1.00 0.16 C ATOM 371 CG TYR A 45 8.037 2.348 0.483 1.00 0.18 C ATOM 372 CD1 TYR A 45 7.239 1.241 0.731 1.00 0.22 C ATOM 373 CD2 TYR A 45 8.855 2.329 -0.636 1.00 0.23 C ATOM 374 CE1 TYR A 45 7.254 0.146 -0.113 1.00 0.27 C ATOM 375 CE2 TYR A 45 8.877 1.244 -1.485 1.00 0.27 C ATOM 376 CZ TYR A 45 8.073 0.153 -1.222 1.00 0.27 C ATOM 377 OH TYR A 45 8.092 -0.936 -2.063 1.00 0.34 O ATOM 0 H TYR A 45 7.792 5.718 2.474 1.00 0.17 H new ATOM 0 HA TYR A 45 6.420 4.549 0.382 1.00 0.15 H new ATOM 0 HB2 TYR A 45 8.816 4.225 1.113 1.00 0.16 H new ATOM 0 HB3 TYR A 45 8.237 3.210 2.419 1.00 0.16 H new ATOM 0 HD1 TYR A 45 6.595 1.234 1.598 1.00 0.22 H new ATOM 0 HD2 TYR A 45 9.486 3.180 -0.846 1.00 0.23 H new ATOM 0 HE1 TYR A 45 6.628 -0.709 0.095 1.00 0.27 H new ATOM 0 HE2 TYR A 45 9.520 1.247 -2.352 1.00 0.27 H new ATOM 0 HH TYR A 45 7.356 -1.541 -1.832 1.00 0.34 H new ATOM 387 N LYS A 46 5.797 3.004 3.246 1.00 0.15 N ATOM 388 CA LYS A 46 4.836 2.155 3.943 1.00 0.18 C ATOM 389 C LYS A 46 3.431 2.758 3.926 1.00 0.17 C ATOM 390 O LYS A 46 2.466 2.089 3.556 1.00 0.21 O ATOM 391 CB LYS A 46 5.293 1.937 5.387 1.00 0.20 C ATOM 392 CG LYS A 46 4.307 1.139 6.225 1.00 0.23 C ATOM 393 CD LYS A 46 4.803 0.963 7.651 1.00 0.27 C ATOM 394 CE LYS A 46 3.707 1.261 8.659 1.00 0.35 C ATOM 395 NZ LYS A 46 3.087 2.598 8.436 1.00 1.20 N ATOM 0 H LYS A 46 6.622 3.241 3.797 1.00 0.15 H new ATOM 0 HA LYS A 46 4.792 1.199 3.421 1.00 0.18 H new ATOM 0 HB2 LYS A 46 6.253 1.421 5.381 1.00 0.20 H new ATOM 0 HB3 LYS A 46 5.455 2.907 5.858 1.00 0.20 H new ATOM 0 HG2 LYS A 46 3.342 1.646 6.234 1.00 0.23 H new ATOM 0 HG3 LYS A 46 4.149 0.161 5.770 1.00 0.23 H new ATOM 0 HD2 LYS A 46 5.160 -0.057 7.790 1.00 0.27 H new ATOM 0 HD3 LYS A 46 5.651 1.624 7.827 1.00 0.27 H new ATOM 0 HE2 LYS A 46 2.938 0.491 8.596 1.00 0.35 H new ATOM 0 HE3 LYS A 46 4.120 1.217 9.667 1.00 0.35 H new ATOM 0 HZ1 LYS A 46 2.817 3.012 9.351 1.00 1.20 H new ATOM 0 HZ2 LYS A 46 3.770 3.223 7.961 1.00 1.20 H new ATOM 0 HZ3 LYS A 46 2.241 2.493 7.840 1.00 1.20 H new ATOM 409 N GLU A 47 3.321 4.017 4.338 1.00 0.14 N ATOM 410 CA GLU A 47 2.029 4.696 4.380 1.00 0.14 C ATOM 411 C GLU A 47 1.397 4.773 2.997 1.00 0.13 C ATOM 412 O GLU A 47 0.183 4.623 2.852 1.00 0.20 O ATOM 413 CB GLU A 47 2.181 6.098 4.964 1.00 0.15 C ATOM 414 CG GLU A 47 2.629 6.108 6.418 1.00 0.16 C ATOM 415 CD GLU A 47 1.497 6.431 7.375 1.00 1.17 C ATOM 416 OE1 GLU A 47 0.506 5.670 7.404 1.00 1.67 O ATOM 417 OE2 GLU A 47 1.602 7.445 8.094 1.00 2.04 O ATOM 0 H GLU A 47 4.108 4.587 4.647 1.00 0.14 H new ATOM 0 HA GLU A 47 1.370 4.112 5.022 1.00 0.14 H new ATOM 0 HB2 GLU A 47 2.903 6.655 4.367 1.00 0.15 H new ATOM 0 HB3 GLU A 47 1.228 6.621 4.883 1.00 0.15 H new ATOM 0 HG2 GLU A 47 3.048 5.134 6.672 1.00 0.16 H new ATOM 0 HG3 GLU A 47 3.426 6.841 6.544 1.00 0.16 H new ATOM 424 N ALA A 48 2.223 4.994 1.983 1.00 0.12 N ATOM 425 CA ALA A 48 1.731 5.075 0.614 1.00 0.13 C ATOM 426 C ALA A 48 1.357 3.685 0.124 1.00 0.13 C ATOM 427 O ALA A 48 0.327 3.495 -0.522 1.00 0.21 O ATOM 428 CB ALA A 48 2.770 5.717 -0.285 1.00 0.17 C ATOM 0 H ALA A 48 3.230 5.120 2.081 1.00 0.12 H new ATOM 0 HA ALA A 48 0.840 5.702 0.586 1.00 0.13 H new ATOM 0 HB1 ALA A 48 2.387 5.770 -1.304 1.00 0.17 H new ATOM 0 HB2 ALA A 48 2.989 6.723 0.073 1.00 0.17 H new ATOM 0 HB3 ALA A 48 3.682 5.120 -0.271 1.00 0.17 H new ATOM 434 N PHE A 49 2.197 2.713 0.461 1.00 0.11 N ATOM 435 CA PHE A 49 1.955 1.329 0.083 1.00 0.11 C ATOM 436 C PHE A 49 0.632 0.861 0.674 1.00 0.12 C ATOM 437 O PHE A 49 -0.221 0.319 -0.030 1.00 0.17 O ATOM 438 CB PHE A 49 3.099 0.440 0.581 1.00 0.13 C ATOM 439 CG PHE A 49 2.901 -1.028 0.311 1.00 0.17 C ATOM 440 CD1 PHE A 49 1.922 -1.751 0.978 1.00 0.24 C ATOM 441 CD2 PHE A 49 3.697 -1.684 -0.617 1.00 0.21 C ATOM 442 CE1 PHE A 49 1.739 -3.097 0.722 1.00 0.31 C ATOM 443 CE2 PHE A 49 3.518 -3.030 -0.872 1.00 0.26 C ATOM 444 CZ PHE A 49 2.538 -3.736 -0.204 1.00 0.30 C ATOM 0 H PHE A 49 3.053 2.860 0.996 1.00 0.11 H new ATOM 0 HA PHE A 49 1.906 1.258 -1.004 1.00 0.11 H new ATOM 0 HB2 PHE A 49 4.027 0.763 0.109 1.00 0.13 H new ATOM 0 HB3 PHE A 49 3.219 0.588 1.654 1.00 0.13 H new ATOM 0 HD1 PHE A 49 1.296 -1.256 1.706 1.00 0.24 H new ATOM 0 HD2 PHE A 49 4.464 -1.137 -1.145 1.00 0.21 H new ATOM 0 HE1 PHE A 49 0.972 -3.648 1.246 1.00 0.31 H new ATOM 0 HE2 PHE A 49 4.146 -3.530 -1.595 1.00 0.26 H new ATOM 0 HZ PHE A 49 2.397 -4.788 -0.406 1.00 0.30 H new ATOM 454 N ASN A 50 0.470 1.078 1.976 1.00 0.16 N ATOM 455 CA ASN A 50 -0.748 0.686 2.674 1.00 0.21 C ATOM 456 C ASN A 50 -1.984 1.243 1.975 1.00 0.22 C ATOM 457 O ASN A 50 -2.979 0.542 1.800 1.00 0.28 O ATOM 458 CB ASN A 50 -0.705 1.174 4.123 1.00 0.27 C ATOM 459 CG ASN A 50 -0.156 0.125 5.069 1.00 0.31 C ATOM 460 OD1 ASN A 50 -0.719 -0.122 6.136 1.00 0.89 O ATOM 461 ND2 ASN A 50 0.951 -0.498 4.684 1.00 0.61 N ATOM 0 H ASN A 50 1.169 1.524 2.569 1.00 0.16 H new ATOM 0 HA ASN A 50 -0.809 -0.402 2.662 1.00 0.21 H new ATOM 0 HB2 ASN A 50 -0.090 2.072 4.183 1.00 0.27 H new ATOM 0 HB3 ASN A 50 -1.710 1.455 4.439 1.00 0.27 H new ATOM 0 HD21 ASN A 50 1.368 -1.213 5.281 1.00 0.61 H new ATOM 0 HD22 ASN A 50 1.385 -0.262 3.791 1.00 0.61 H new ATOM 468 N SER A 51 -1.907 2.510 1.575 1.00 0.23 N ATOM 469 CA SER A 51 -3.016 3.160 0.892 1.00 0.27 C ATOM 470 C SER A 51 -3.420 2.370 -0.349 1.00 0.25 C ATOM 471 O SER A 51 -4.596 2.089 -0.561 1.00 0.29 O ATOM 472 CB SER A 51 -2.635 4.590 0.502 1.00 0.32 C ATOM 473 OG SER A 51 -3.785 5.404 0.362 1.00 0.45 O ATOM 0 H SER A 51 -1.089 3.104 1.713 1.00 0.23 H new ATOM 0 HA SER A 51 -3.865 3.194 1.574 1.00 0.27 H new ATOM 0 HB2 SER A 51 -1.976 5.014 1.260 1.00 0.32 H new ATOM 0 HB3 SER A 51 -2.078 4.579 -0.435 1.00 0.32 H new ATOM 0 HG SER A 51 -3.514 6.313 0.114 1.00 0.45 H new ATOM 479 N ALA A 52 -2.432 1.992 -1.150 1.00 0.23 N ATOM 480 CA ALA A 52 -2.695 1.216 -2.354 1.00 0.23 C ATOM 481 C ALA A 52 -3.165 -0.184 -1.992 1.00 0.24 C ATOM 482 O ALA A 52 -3.950 -0.795 -2.719 1.00 0.31 O ATOM 483 CB ALA A 52 -1.456 1.154 -3.229 1.00 0.21 C ATOM 0 H ALA A 52 -1.448 2.208 -0.989 1.00 0.23 H new ATOM 0 HA ALA A 52 -3.487 1.710 -2.917 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.671 0.570 -4.124 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.163 2.164 -3.516 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.643 0.684 -2.676 1.00 0.21 H new ATOM 489 N TRP A 53 -2.695 -0.682 -0.852 1.00 0.21 N ATOM 490 CA TRP A 53 -3.082 -2.001 -0.378 1.00 0.25 C ATOM 491 C TRP A 53 -4.564 -1.990 -0.012 1.00 0.30 C ATOM 492 O TRP A 53 -5.345 -2.792 -0.524 1.00 0.34 O ATOM 493 CB TRP A 53 -2.210 -2.398 0.826 1.00 0.27 C ATOM 494 CG TRP A 53 -2.743 -3.548 1.630 1.00 0.36 C ATOM 495 CD1 TRP A 53 -2.389 -4.863 1.512 1.00 0.46 C ATOM 496 CD2 TRP A 53 -3.710 -3.488 2.686 1.00 0.44 C ATOM 497 NE1 TRP A 53 -3.083 -5.622 2.421 1.00 0.55 N ATOM 498 CE2 TRP A 53 -3.899 -4.803 3.152 1.00 0.53 C ATOM 499 CE3 TRP A 53 -4.436 -2.455 3.282 1.00 0.51 C ATOM 500 CZ2 TRP A 53 -4.785 -5.109 4.181 1.00 0.63 C ATOM 501 CZ3 TRP A 53 -5.314 -2.759 4.306 1.00 0.63 C ATOM 502 CH2 TRP A 53 -5.482 -4.077 4.747 1.00 0.67 C ATOM 0 H TRP A 53 -2.045 -0.189 -0.240 1.00 0.21 H new ATOM 0 HA TRP A 53 -2.926 -2.741 -1.163 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -1.213 -2.653 0.467 1.00 0.27 H new ATOM 0 HB3 TRP A 53 -2.102 -1.533 1.481 1.00 0.27 H new ATOM 0 HD1 TRP A 53 -1.668 -5.249 0.806 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -3.003 -6.633 2.533 1.00 0.55 H new ATOM 0 HE3 TRP A 53 -4.314 -1.435 2.949 1.00 0.51 H new ATOM 0 HZ2 TRP A 53 -4.918 -6.126 4.521 1.00 0.63 H new ATOM 0 HZ3 TRP A 53 -5.880 -1.966 4.773 1.00 0.63 H new ATOM 0 HH2 TRP A 53 -6.175 -4.283 5.549 1.00 0.67 H new ATOM 513 N ASP A 54 -4.949 -1.059 0.861 1.00 0.33 N ATOM 514 CA ASP A 54 -6.341 -0.928 1.275 1.00 0.40 C ATOM 515 C ASP A 54 -7.199 -0.507 0.089 1.00 0.40 C ATOM 516 O ASP A 54 -8.365 -0.891 -0.016 1.00 0.48 O ATOM 517 CB ASP A 54 -6.468 0.097 2.405 1.00 0.43 C ATOM 518 CG ASP A 54 -7.865 0.131 2.997 1.00 0.49 C ATOM 519 OD1 ASP A 54 -8.421 -0.953 3.271 1.00 1.17 O ATOM 520 OD2 ASP A 54 -8.400 1.244 3.191 1.00 0.86 O ATOM 0 H ASP A 54 -4.315 -0.387 1.293 1.00 0.33 H new ATOM 0 HA ASP A 54 -6.689 -1.894 1.641 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -5.749 -0.139 3.189 1.00 0.43 H new ATOM 0 HB3 ASP A 54 -6.212 1.086 2.026 1.00 0.43 H new ATOM 525 N GLN A 55 -6.605 0.270 -0.811 1.00 0.38 N ATOM 526 CA GLN A 55 -7.309 0.725 -1.998 1.00 0.45 C ATOM 527 C GLN A 55 -7.580 -0.458 -2.911 1.00 0.49 C ATOM 528 O GLN A 55 -8.533 -0.462 -3.687 1.00 0.59 O ATOM 529 CB GLN A 55 -6.488 1.782 -2.737 1.00 0.49 C ATOM 530 CG GLN A 55 -6.665 3.183 -2.179 1.00 0.52 C ATOM 531 CD GLN A 55 -6.456 4.253 -3.232 1.00 0.59 C ATOM 532 OE1 GLN A 55 -7.406 4.713 -3.867 1.00 0.68 O ATOM 533 NE2 GLN A 55 -5.206 4.658 -3.420 1.00 0.59 N ATOM 0 H GLN A 55 -5.641 0.595 -0.739 1.00 0.38 H new ATOM 0 HA GLN A 55 -8.255 1.175 -1.698 1.00 0.45 H new ATOM 0 HB2 GLN A 55 -5.433 1.511 -2.689 1.00 0.49 H new ATOM 0 HB3 GLN A 55 -6.770 1.780 -3.790 1.00 0.49 H new ATOM 0 HG2 GLN A 55 -7.666 3.280 -1.759 1.00 0.52 H new ATOM 0 HG3 GLN A 55 -5.960 3.338 -1.362 1.00 0.52 H new ATOM 0 HE21 GLN A 55 -4.449 4.249 -2.871 1.00 0.59 H new ATOM 0 HE22 GLN A 55 -5.002 5.378 -4.113 1.00 0.59 H new ATOM 542 N TYR A 56 -6.730 -1.467 -2.794 1.00 0.44 N ATOM 543 CA TYR A 56 -6.857 -2.680 -3.585 1.00 0.52 C ATOM 544 C TYR A 56 -7.983 -3.560 -3.048 1.00 0.68 C ATOM 545 O TYR A 56 -7.768 -4.722 -2.697 1.00 0.79 O ATOM 546 CB TYR A 56 -5.542 -3.453 -3.581 1.00 0.49 C ATOM 547 CG TYR A 56 -5.049 -3.790 -4.963 1.00 0.35 C ATOM 548 CD1 TYR A 56 -4.426 -2.834 -5.748 1.00 0.29 C ATOM 549 CD2 TYR A 56 -5.214 -5.063 -5.481 1.00 0.38 C ATOM 550 CE1 TYR A 56 -3.975 -3.141 -7.017 1.00 0.26 C ATOM 551 CE2 TYR A 56 -4.769 -5.379 -6.746 1.00 0.34 C ATOM 552 CZ TYR A 56 -4.150 -4.418 -7.512 1.00 0.26 C ATOM 553 OH TYR A 56 -3.700 -4.732 -8.777 1.00 0.35 O ATOM 0 H TYR A 56 -5.938 -1.468 -2.152 1.00 0.44 H new ATOM 0 HA TYR A 56 -7.099 -2.396 -4.609 1.00 0.52 H new ATOM 0 HB2 TYR A 56 -4.783 -2.864 -3.065 1.00 0.49 H new ATOM 0 HB3 TYR A 56 -5.671 -4.375 -3.013 1.00 0.49 H new ATOM 0 HD1 TYR A 56 -4.291 -1.834 -5.362 1.00 0.29 H new ATOM 0 HD2 TYR A 56 -5.699 -5.821 -4.884 1.00 0.38 H new ATOM 0 HE1 TYR A 56 -3.489 -2.387 -7.618 1.00 0.26 H new ATOM 0 HE2 TYR A 56 -4.905 -6.377 -7.135 1.00 0.34 H new ATOM 0 HH TYR A 56 -3.736 -3.934 -9.344 1.00 0.35 H new ATOM 563 N LYS A 57 -9.184 -3.001 -2.987 1.00 0.76 N ATOM 564 CA LYS A 57 -10.346 -3.734 -2.496 1.00 0.95 C ATOM 565 C LYS A 57 -10.955 -4.595 -3.604 1.00 1.08 C ATOM 566 O LYS A 57 -11.983 -5.242 -3.405 1.00 1.26 O ATOM 567 CB LYS A 57 -11.386 -2.760 -1.941 1.00 1.01 C ATOM 568 CG LYS A 57 -11.370 -2.654 -0.423 1.00 0.94 C ATOM 569 CD LYS A 57 -12.699 -3.067 0.188 1.00 1.21 C ATOM 570 CE LYS A 57 -12.539 -3.460 1.649 1.00 2.33 C ATOM 571 NZ LYS A 57 -11.407 -4.404 1.851 1.00 3.35 N ATOM 0 H LYS A 57 -9.381 -2.041 -3.271 1.00 0.76 H new ATOM 0 HA LYS A 57 -10.022 -4.397 -1.694 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -11.211 -1.772 -2.368 1.00 1.01 H new ATOM 0 HB3 LYS A 57 -12.378 -3.076 -2.265 1.00 1.01 H new ATOM 0 HG2 LYS A 57 -10.575 -3.284 -0.023 1.00 0.94 H new ATOM 0 HG3 LYS A 57 -11.140 -1.629 -0.133 1.00 0.94 H new ATOM 0 HD2 LYS A 57 -13.410 -2.245 0.106 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -13.114 -3.905 -0.372 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -12.376 -2.565 2.250 1.00 2.33 H new ATOM 0 HE3 LYS A 57 -13.462 -3.919 2.004 1.00 2.33 H new ATOM 0 HZ1 LYS A 57 -11.588 -4.988 2.692 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 -11.314 -5.018 1.017 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 -10.527 -3.867 1.985 1.00 3.35 H new ATOM 718 N ALA A 66 -0.405 -10.957 -5.001 1.00 0.47 N ATOM 719 CA ALA A 66 0.900 -10.382 -5.289 1.00 0.50 C ATOM 720 C ALA A 66 0.730 -9.109 -6.101 1.00 0.44 C ATOM 721 O ALA A 66 1.391 -8.107 -5.850 1.00 0.45 O ATOM 722 CB ALA A 66 1.774 -11.360 -6.048 1.00 0.63 C ATOM 0 HA ALA A 66 1.389 -10.153 -4.342 1.00 0.50 H new ATOM 0 HB1 ALA A 66 2.743 -10.902 -6.249 1.00 0.63 H new ATOM 0 HB2 ALA A 66 1.915 -12.261 -5.451 1.00 0.63 H new ATOM 0 HB3 ALA A 66 1.294 -11.621 -6.991 1.00 0.63 H new ATOM 728 N SER A 67 -0.191 -9.158 -7.062 1.00 0.41 N ATOM 729 CA SER A 67 -0.483 -8.004 -7.900 1.00 0.40 C ATOM 730 C SER A 67 -0.792 -6.811 -7.016 1.00 0.32 C ATOM 731 O SER A 67 -0.240 -5.724 -7.190 1.00 0.36 O ATOM 732 CB SER A 67 -1.671 -8.305 -8.806 1.00 0.39 C ATOM 733 OG SER A 67 -1.926 -7.230 -9.694 1.00 0.44 O ATOM 0 H SER A 67 -0.746 -9.986 -7.277 1.00 0.41 H new ATOM 0 HA SER A 67 0.382 -7.779 -8.524 1.00 0.40 H new ATOM 0 HB2 SER A 67 -1.475 -9.213 -9.377 1.00 0.39 H new ATOM 0 HB3 SER A 67 -2.556 -8.495 -8.198 1.00 0.39 H new ATOM 0 HG SER A 67 -2.470 -6.553 -9.240 1.00 0.44 H new ATOM 739 N ARG A 68 -1.660 -7.045 -6.040 1.00 0.28 N ATOM 740 CA ARG A 68 -2.029 -6.010 -5.081 1.00 0.24 C ATOM 741 C ARG A 68 -0.764 -5.460 -4.439 1.00 0.22 C ATOM 742 O ARG A 68 -0.436 -4.283 -4.586 1.00 0.29 O ATOM 743 CB ARG A 68 -2.963 -6.579 -4.006 1.00 0.25 C ATOM 744 CG ARG A 68 -3.335 -5.571 -2.928 1.00 0.40 C ATOM 745 CD ARG A 68 -2.379 -5.624 -1.742 1.00 0.67 C ATOM 746 NE ARG A 68 -2.823 -6.586 -0.729 1.00 1.77 N ATOM 747 CZ ARG A 68 -2.299 -7.800 -0.559 1.00 2.72 C ATOM 748 NH1 ARG A 68 -1.304 -8.223 -1.325 1.00 3.09 N ATOM 749 NH2 ARG A 68 -2.777 -8.597 0.387 1.00 3.77 N ATOM 0 H ARG A 68 -2.122 -7.942 -5.891 1.00 0.28 H new ATOM 0 HA ARG A 68 -2.558 -5.210 -5.599 1.00 0.24 H new ATOM 0 HB2 ARG A 68 -3.874 -6.942 -4.483 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -2.484 -7.439 -3.538 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -3.330 -4.567 -3.353 1.00 0.40 H new ATOM 0 HG3 ARG A 68 -4.351 -5.766 -2.584 1.00 0.40 H new ATOM 0 HD2 ARG A 68 -1.383 -5.896 -2.090 1.00 0.67 H new ATOM 0 HD3 ARG A 68 -2.301 -4.634 -1.293 1.00 0.67 H new ATOM 0 HE ARG A 68 -3.586 -6.307 -0.112 1.00 1.77 H new ATOM 0 HH11 ARG A 68 -0.930 -7.617 -2.055 1.00 3.09 H new ATOM 0 HH12 ARG A 68 -0.912 -9.154 -1.184 1.00 3.09 H new ATOM 0 HH21 ARG A 68 -3.543 -8.280 0.982 1.00 3.77 H new ATOM 0 HH22 ARG A 68 -2.379 -9.527 0.520 1.00 3.77 H new ATOM 763 N GLU A 69 -0.048 -6.337 -3.739 1.00 0.22 N ATOM 764 CA GLU A 69 1.194 -5.968 -3.087 1.00 0.21 C ATOM 765 C GLU A 69 2.083 -5.232 -4.078 1.00 0.19 C ATOM 766 O GLU A 69 2.614 -4.161 -3.783 1.00 0.22 O ATOM 767 CB GLU A 69 1.892 -7.222 -2.556 1.00 0.27 C ATOM 768 CG GLU A 69 3.207 -6.942 -1.862 1.00 0.28 C ATOM 769 CD GLU A 69 3.711 -8.132 -1.068 1.00 0.36 C ATOM 770 OE1 GLU A 69 2.884 -8.795 -0.405 1.00 0.79 O ATOM 771 OE2 GLU A 69 4.929 -8.401 -1.107 1.00 0.43 O ATOM 0 H GLU A 69 -0.314 -7.313 -3.612 1.00 0.22 H new ATOM 0 HA GLU A 69 0.988 -5.308 -2.244 1.00 0.21 H new ATOM 0 HB2 GLU A 69 1.225 -7.730 -1.859 1.00 0.27 H new ATOM 0 HB3 GLU A 69 2.068 -7.907 -3.385 1.00 0.27 H new ATOM 0 HG2 GLU A 69 3.954 -6.663 -2.605 1.00 0.28 H new ATOM 0 HG3 GLU A 69 3.087 -6.089 -1.194 1.00 0.28 H new ATOM 778 N GLU A 70 2.204 -5.807 -5.272 1.00 0.27 N ATOM 779 CA GLU A 70 2.992 -5.208 -6.340 1.00 0.29 C ATOM 780 C GLU A 70 2.556 -3.766 -6.553 1.00 0.27 C ATOM 781 O GLU A 70 3.351 -2.838 -6.432 1.00 0.28 O ATOM 782 CB GLU A 70 2.814 -6.004 -7.636 1.00 0.35 C ATOM 783 CG GLU A 70 4.048 -6.028 -8.523 1.00 0.42 C ATOM 784 CD GLU A 70 4.991 -7.167 -8.186 1.00 0.64 C ATOM 785 OE1 GLU A 70 4.666 -8.325 -8.520 1.00 1.11 O ATOM 786 OE2 GLU A 70 6.055 -6.899 -7.589 1.00 1.27 O ATOM 0 H GLU A 70 1.763 -6.692 -5.523 1.00 0.27 H new ATOM 0 HA GLU A 70 4.045 -5.227 -6.058 1.00 0.29 H new ATOM 0 HB2 GLU A 70 2.539 -7.029 -7.386 1.00 0.35 H new ATOM 0 HB3 GLU A 70 1.983 -5.580 -8.199 1.00 0.35 H new ATOM 0 HG2 GLU A 70 3.739 -6.114 -9.565 1.00 0.42 H new ATOM 0 HG3 GLU A 70 4.579 -5.081 -8.425 1.00 0.42 H new ATOM 793 N THR A 71 1.279 -3.583 -6.868 1.00 0.27 N ATOM 794 CA THR A 71 0.747 -2.240 -7.088 1.00 0.27 C ATOM 795 C THR A 71 1.118 -1.324 -5.935 1.00 0.23 C ATOM 796 O THR A 71 1.673 -0.245 -6.145 1.00 0.28 O ATOM 797 CB THR A 71 -0.770 -2.257 -7.240 1.00 0.28 C ATOM 798 OG1 THR A 71 -1.160 -2.999 -8.380 1.00 0.35 O ATOM 799 CG2 THR A 71 -1.346 -0.861 -7.368 1.00 0.31 C ATOM 0 H THR A 71 0.599 -4.336 -6.976 1.00 0.27 H new ATOM 0 HA THR A 71 1.188 -1.867 -8.012 1.00 0.27 H new ATOM 0 HB THR A 71 -1.158 -2.724 -6.335 1.00 0.28 H new ATOM 0 HG1 THR A 71 -2.066 -3.349 -8.248 1.00 0.35 H new ATOM 0 HG21 THR A 71 -2.429 -0.923 -7.474 1.00 0.31 H new ATOM 0 HG22 THR A 71 -1.101 -0.283 -6.477 1.00 0.31 H new ATOM 0 HG23 THR A 71 -0.923 -0.372 -8.245 1.00 0.31 H new ATOM 807 N ALA A 72 0.823 -1.755 -4.713 1.00 0.16 N ATOM 808 CA ALA A 72 1.151 -0.955 -3.547 1.00 0.15 C ATOM 809 C ALA A 72 2.620 -0.565 -3.609 1.00 0.17 C ATOM 810 O ALA A 72 2.980 0.589 -3.383 1.00 0.23 O ATOM 811 CB ALA A 72 0.813 -1.704 -2.263 1.00 0.16 C ATOM 0 H ALA A 72 0.363 -2.642 -4.509 1.00 0.16 H new ATOM 0 HA ALA A 72 0.551 -0.045 -3.545 1.00 0.15 H new ATOM 0 HB1 ALA A 72 1.067 -1.085 -1.403 1.00 0.16 H new ATOM 0 HB2 ALA A 72 -0.253 -1.931 -2.244 1.00 0.16 H new ATOM 0 HB3 ALA A 72 1.382 -2.633 -2.223 1.00 0.16 H new ATOM 817 N HIS A 73 3.462 -1.531 -3.972 1.00 0.17 N ATOM 818 CA HIS A 73 4.888 -1.272 -4.123 1.00 0.23 C ATOM 819 C HIS A 73 5.064 -0.104 -5.091 1.00 0.25 C ATOM 820 O HIS A 73 5.800 0.846 -4.819 1.00 0.32 O ATOM 821 CB HIS A 73 5.618 -2.509 -4.659 1.00 0.27 C ATOM 822 CG HIS A 73 6.063 -3.477 -3.607 1.00 0.28 C ATOM 823 ND1 HIS A 73 7.280 -3.384 -2.967 1.00 0.33 N ATOM 824 CD2 HIS A 73 5.461 -4.585 -3.101 1.00 0.28 C ATOM 825 CE1 HIS A 73 7.411 -4.389 -2.120 1.00 0.35 C ATOM 826 NE2 HIS A 73 6.322 -5.131 -2.181 1.00 0.31 N ATOM 0 H HIS A 73 3.182 -2.493 -4.165 1.00 0.17 H new ATOM 0 HA HIS A 73 5.316 -1.029 -3.150 1.00 0.23 H new ATOM 0 HB2 HIS A 73 4.961 -3.028 -5.357 1.00 0.27 H new ATOM 0 HB3 HIS A 73 6.490 -2.183 -5.225 1.00 0.27 H new ATOM 0 HD1 HIS A 73 7.973 -2.652 -3.123 1.00 0.33 H new ATOM 0 HD2 HIS A 73 4.487 -4.965 -3.372 1.00 0.28 H new ATOM 0 HE1 HIS A 73 8.265 -4.572 -1.485 1.00 0.35 H new ATOM 834 N LYS A 74 4.365 -0.193 -6.224 1.00 0.23 N ATOM 835 CA LYS A 74 4.408 0.838 -7.253 1.00 0.28 C ATOM 836 C LYS A 74 3.915 2.175 -6.715 1.00 0.31 C ATOM 837 O LYS A 74 4.498 3.222 -6.993 1.00 0.54 O ATOM 838 CB LYS A 74 3.563 0.412 -8.455 1.00 0.37 C ATOM 839 CG LYS A 74 4.232 -0.653 -9.308 1.00 0.58 C ATOM 840 CD LYS A 74 3.576 -2.014 -9.141 1.00 0.64 C ATOM 841 CE LYS A 74 2.889 -2.468 -10.420 1.00 1.29 C ATOM 842 NZ LYS A 74 3.781 -3.324 -11.250 1.00 1.78 N ATOM 0 H LYS A 74 3.757 -0.980 -6.450 1.00 0.23 H new ATOM 0 HA LYS A 74 5.445 0.962 -7.566 1.00 0.28 H new ATOM 0 HB2 LYS A 74 2.603 0.035 -8.101 1.00 0.37 H new ATOM 0 HB3 LYS A 74 3.355 1.286 -9.073 1.00 0.37 H new ATOM 0 HG2 LYS A 74 4.190 -0.357 -10.356 1.00 0.58 H new ATOM 0 HG3 LYS A 74 5.286 -0.723 -9.039 1.00 0.58 H new ATOM 0 HD2 LYS A 74 4.328 -2.748 -8.852 1.00 0.64 H new ATOM 0 HD3 LYS A 74 2.847 -1.970 -8.332 1.00 0.64 H new ATOM 0 HE2 LYS A 74 1.983 -3.021 -10.170 1.00 1.29 H new ATOM 0 HE3 LYS A 74 2.581 -1.596 -10.997 1.00 1.29 H new ATOM 0 HZ1 LYS A 74 3.279 -3.614 -12.113 1.00 1.78 H new ATOM 0 HZ2 LYS A 74 4.634 -2.788 -11.509 1.00 1.78 H new ATOM 0 HZ3 LYS A 74 4.054 -4.168 -10.708 1.00 1.78 H new ATOM 856 N VAL A 75 2.839 2.130 -5.941 1.00 0.21 N ATOM 857 CA VAL A 75 2.271 3.336 -5.362 1.00 0.21 C ATOM 858 C VAL A 75 3.210 3.929 -4.325 1.00 0.21 C ATOM 859 O VAL A 75 3.628 5.080 -4.435 1.00 0.29 O ATOM 860 CB VAL A 75 0.911 3.052 -4.719 1.00 0.20 C ATOM 861 CG1 VAL A 75 0.303 4.328 -4.149 1.00 0.24 C ATOM 862 CG2 VAL A 75 -0.001 2.418 -5.750 1.00 0.21 C ATOM 0 H VAL A 75 2.344 1.271 -5.701 1.00 0.21 H new ATOM 0 HA VAL A 75 2.133 4.054 -6.171 1.00 0.21 H new ATOM 0 HB VAL A 75 1.040 2.360 -3.887 1.00 0.20 H new ATOM 0 HG11 VAL A 75 -0.663 4.101 -3.698 1.00 0.24 H new ATOM 0 HG12 VAL A 75 0.969 4.742 -3.392 1.00 0.24 H new ATOM 0 HG13 VAL A 75 0.167 5.055 -4.949 1.00 0.24 H new ATOM 0 HG21 VAL A 75 -0.972 2.213 -5.300 1.00 0.21 H new ATOM 0 HG22 VAL A 75 -0.128 3.099 -6.591 1.00 0.21 H new ATOM 0 HG23 VAL A 75 0.440 1.485 -6.102 1.00 0.21 H new ATOM 872 N ALA A 76 3.534 3.136 -3.313 1.00 0.14 N ATOM 873 CA ALA A 76 4.425 3.583 -2.251 1.00 0.16 C ATOM 874 C ALA A 76 5.647 4.278 -2.824 1.00 0.19 C ATOM 875 O ALA A 76 6.011 5.373 -2.394 1.00 0.24 O ATOM 876 CB ALA A 76 4.831 2.413 -1.376 1.00 0.16 C ATOM 0 H ALA A 76 3.194 2.181 -3.205 1.00 0.14 H new ATOM 0 HA ALA A 76 3.889 4.305 -1.635 1.00 0.16 H new ATOM 0 HB1 ALA A 76 5.497 2.763 -0.587 1.00 0.16 H new ATOM 0 HB2 ALA A 76 3.942 1.967 -0.930 1.00 0.16 H new ATOM 0 HB3 ALA A 76 5.346 1.667 -1.982 1.00 0.16 H new ATOM 882 N TRP A 77 6.264 3.652 -3.814 1.00 0.18 N ATOM 883 CA TRP A 77 7.429 4.236 -4.458 1.00 0.23 C ATOM 884 C TRP A 77 7.061 5.600 -5.023 1.00 0.26 C ATOM 885 O TRP A 77 7.798 6.566 -4.857 1.00 0.30 O ATOM 886 CB TRP A 77 7.961 3.326 -5.558 1.00 0.26 C ATOM 887 CG TRP A 77 9.035 2.399 -5.081 1.00 0.25 C ATOM 888 CD1 TRP A 77 8.977 1.043 -5.055 1.00 0.32 C ATOM 889 CD2 TRP A 77 10.317 2.759 -4.553 1.00 0.29 C ATOM 890 NE1 TRP A 77 10.145 0.525 -4.555 1.00 0.32 N ATOM 891 CE2 TRP A 77 10.987 1.560 -4.238 1.00 0.30 C ATOM 892 CE3 TRP A 77 10.966 3.974 -4.319 1.00 0.43 C ATOM 893 CZ2 TRP A 77 12.272 1.545 -3.701 1.00 0.38 C ATOM 894 CZ3 TRP A 77 12.240 3.956 -3.786 1.00 0.54 C ATOM 895 CH2 TRP A 77 12.882 2.749 -3.482 1.00 0.50 C ATOM 0 H TRP A 77 5.980 2.746 -4.187 1.00 0.18 H new ATOM 0 HA TRP A 77 8.220 4.353 -3.717 1.00 0.23 H new ATOM 0 HB2 TRP A 77 7.138 2.740 -5.967 1.00 0.26 H new ATOM 0 HB3 TRP A 77 8.351 3.938 -6.371 1.00 0.26 H new ATOM 0 HD1 TRP A 77 8.132 0.455 -5.381 1.00 0.32 H new ATOM 0 HE1 TRP A 77 10.353 -0.467 -4.438 1.00 0.32 H new ATOM 0 HE3 TRP A 77 10.480 4.910 -4.551 1.00 0.43 H new ATOM 0 HZ2 TRP A 77 12.769 0.615 -3.466 1.00 0.38 H new ATOM 0 HZ3 TRP A 77 12.750 4.890 -3.600 1.00 0.54 H new ATOM 0 HH2 TRP A 77 13.879 2.770 -3.066 1.00 0.50 H new ATOM 906 N ALA A 78 5.895 5.681 -5.670 1.00 0.24 N ATOM 907 CA ALA A 78 5.425 6.943 -6.233 1.00 0.27 C ATOM 908 C ALA A 78 5.527 8.050 -5.189 1.00 0.29 C ATOM 909 O ALA A 78 6.000 9.150 -5.474 1.00 0.39 O ATOM 910 CB ALA A 78 3.996 6.811 -6.748 1.00 0.27 C ATOM 0 H ALA A 78 5.265 4.892 -5.815 1.00 0.24 H new ATOM 0 HA ALA A 78 6.059 7.204 -7.080 1.00 0.27 H new ATOM 0 HB1 ALA A 78 3.669 7.765 -7.162 1.00 0.27 H new ATOM 0 HB2 ALA A 78 3.958 6.046 -7.524 1.00 0.27 H new ATOM 0 HB3 ALA A 78 3.338 6.528 -5.927 1.00 0.27 H new ATOM 916 N ALA A 79 5.113 7.733 -3.965 1.00 0.24 N ATOM 917 CA ALA A 79 5.191 8.672 -2.863 1.00 0.24 C ATOM 918 C ALA A 79 6.652 8.942 -2.550 1.00 0.25 C ATOM 919 O ALA A 79 7.062 10.084 -2.344 1.00 0.32 O ATOM 920 CB ALA A 79 4.470 8.111 -1.646 1.00 0.23 C ATOM 0 H ALA A 79 4.719 6.826 -3.716 1.00 0.24 H new ATOM 0 HA ALA A 79 4.706 9.609 -3.138 1.00 0.24 H new ATOM 0 HB1 ALA A 79 4.535 8.824 -0.824 1.00 0.23 H new ATOM 0 HB2 ALA A 79 3.423 7.935 -1.892 1.00 0.23 H new ATOM 0 HB3 ALA A 79 4.935 7.171 -1.349 1.00 0.23 H new ATOM 926 N VAL A 80 7.432 7.868 -2.535 1.00 0.21 N ATOM 927 CA VAL A 80 8.848 7.955 -2.268 1.00 0.22 C ATOM 928 C VAL A 80 9.548 8.819 -3.319 1.00 0.26 C ATOM 929 O VAL A 80 10.290 9.732 -2.976 1.00 0.31 O ATOM 930 CB VAL A 80 9.482 6.549 -2.221 1.00 0.19 C ATOM 931 CG1 VAL A 80 10.986 6.652 -2.089 1.00 0.19 C ATOM 932 CG2 VAL A 80 8.902 5.749 -1.065 1.00 0.20 C ATOM 0 H VAL A 80 7.096 6.921 -2.708 1.00 0.21 H new ATOM 0 HA VAL A 80 8.978 8.426 -1.294 1.00 0.22 H new ATOM 0 HB VAL A 80 9.252 6.032 -3.153 1.00 0.19 H new ATOM 0 HG11 VAL A 80 11.418 5.652 -2.057 1.00 0.19 H new ATOM 0 HG12 VAL A 80 11.390 7.195 -2.944 1.00 0.19 H new ATOM 0 HG13 VAL A 80 11.235 7.184 -1.171 1.00 0.19 H new ATOM 0 HG21 VAL A 80 9.358 4.759 -1.043 1.00 0.20 H new ATOM 0 HG22 VAL A 80 9.108 6.264 -0.127 1.00 0.20 H new ATOM 0 HG23 VAL A 80 7.824 5.650 -1.196 1.00 0.20 H new ATOM 942 N LYS A 81 9.309 8.538 -4.596 1.00 0.25 N ATOM 943 CA LYS A 81 9.928 9.305 -5.677 1.00 0.31 C ATOM 944 C LYS A 81 9.460 10.762 -5.676 1.00 0.40 C ATOM 945 O LYS A 81 10.059 11.615 -6.329 1.00 0.66 O ATOM 946 CB LYS A 81 9.604 8.666 -7.031 1.00 0.36 C ATOM 947 CG LYS A 81 9.655 7.147 -7.015 1.00 0.45 C ATOM 948 CD LYS A 81 9.958 6.577 -8.390 1.00 0.73 C ATOM 949 CE LYS A 81 9.977 5.057 -8.363 1.00 0.68 C ATOM 950 NZ LYS A 81 10.828 4.486 -9.444 1.00 1.55 N ATOM 0 H LYS A 81 8.693 7.788 -4.909 1.00 0.25 H new ATOM 0 HA LYS A 81 11.005 9.293 -5.512 1.00 0.31 H new ATOM 0 HB2 LYS A 81 8.610 8.984 -7.345 1.00 0.36 H new ATOM 0 HB3 LYS A 81 10.308 9.037 -7.776 1.00 0.36 H new ATOM 0 HG2 LYS A 81 10.417 6.817 -6.309 1.00 0.45 H new ATOM 0 HG3 LYS A 81 8.701 6.755 -6.661 1.00 0.45 H new ATOM 0 HD2 LYS A 81 9.208 6.921 -9.103 1.00 0.73 H new ATOM 0 HD3 LYS A 81 10.922 6.949 -8.737 1.00 0.73 H new ATOM 0 HE2 LYS A 81 10.345 4.717 -7.395 1.00 0.68 H new ATOM 0 HE3 LYS A 81 8.959 4.681 -8.467 1.00 0.68 H new ATOM 0 HZ1 LYS A 81 10.811 3.448 -9.387 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 10.462 4.788 -10.370 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 11.805 4.823 -9.331 1.00 1.55 H new ATOM 964 N HIS A 82 8.396 11.040 -4.932 1.00 0.32 N ATOM 965 CA HIS A 82 7.859 12.393 -4.839 1.00 0.37 C ATOM 966 C HIS A 82 8.569 13.185 -3.743 1.00 0.61 C ATOM 967 O HIS A 82 8.986 14.326 -3.953 1.00 1.20 O ATOM 968 CB HIS A 82 6.354 12.355 -4.565 1.00 0.54 C ATOM 969 CG HIS A 82 5.647 13.622 -4.931 1.00 0.67 C ATOM 970 ND1 HIS A 82 5.580 14.100 -6.222 1.00 1.21 N ATOM 971 CD2 HIS A 82 4.969 14.514 -4.168 1.00 1.16 C ATOM 972 CE1 HIS A 82 4.894 15.229 -6.240 1.00 1.10 C ATOM 973 NE2 HIS A 82 4.511 15.500 -5.007 1.00 1.00 N ATOM 0 H HIS A 82 7.887 10.346 -4.384 1.00 0.32 H new ATOM 0 HA HIS A 82 8.031 12.890 -5.794 1.00 0.37 H new ATOM 0 HB2 HIS A 82 5.912 11.528 -5.122 1.00 0.54 H new ATOM 0 HB3 HIS A 82 6.191 12.150 -3.507 1.00 0.54 H new ATOM 0 HD2 HIS A 82 4.817 14.459 -3.100 1.00 1.16 H new ATOM 0 HE1 HIS A 82 4.683 15.827 -7.114 1.00 1.10 H new ATOM 0 HE2 HIS A 82 3.963 16.312 -4.722 1.00 1.00 H new ATOM 981 N GLU A 83 8.694 12.568 -2.575 1.00 0.36 N ATOM 982 CA GLU A 83 9.345 13.199 -1.428 1.00 0.48 C ATOM 983 C GLU A 83 10.815 12.812 -1.352 1.00 0.45 C ATOM 984 O GLU A 83 11.584 13.416 -0.608 1.00 0.86 O ATOM 985 CB GLU A 83 8.639 12.796 -0.131 1.00 0.65 C ATOM 986 CG GLU A 83 7.194 12.361 -0.328 1.00 0.70 C ATOM 987 CD GLU A 83 6.287 12.789 0.811 1.00 0.99 C ATOM 988 OE1 GLU A 83 6.283 13.991 1.148 1.00 1.34 O ATOM 989 OE2 GLU A 83 5.582 11.921 1.365 1.00 1.20 O ATOM 0 H GLU A 83 8.351 11.625 -2.394 1.00 0.36 H new ATOM 0 HA GLU A 83 9.277 14.279 -1.556 1.00 0.48 H new ATOM 0 HB2 GLU A 83 9.193 11.982 0.336 1.00 0.65 H new ATOM 0 HB3 GLU A 83 8.664 13.637 0.562 1.00 0.65 H new ATOM 0 HG2 GLU A 83 6.818 12.779 -1.262 1.00 0.70 H new ATOM 0 HG3 GLU A 83 7.157 11.276 -0.427 1.00 0.70 H new ATOM 996 N TYR A 84 11.186 11.786 -2.103 1.00 0.32 N ATOM 997 CA TYR A 84 12.558 11.289 -2.115 1.00 0.35 C ATOM 998 C TYR A 84 13.053 11.076 -3.542 1.00 0.39 C ATOM 999 O TYR A 84 12.278 10.763 -4.445 1.00 0.45 O ATOM 1000 CB TYR A 84 12.656 9.987 -1.315 1.00 0.30 C ATOM 1001 CG TYR A 84 12.674 10.198 0.182 1.00 0.26 C ATOM 1002 CD1 TYR A 84 11.496 10.377 0.893 1.00 0.29 C ATOM 1003 CD2 TYR A 84 13.871 10.226 0.884 1.00 0.36 C ATOM 1004 CE1 TYR A 84 11.513 10.578 2.263 1.00 0.32 C ATOM 1005 CE2 TYR A 84 13.895 10.428 2.251 1.00 0.36 C ATOM 1006 CZ TYR A 84 12.714 10.603 2.935 1.00 0.29 C ATOM 1007 OH TYR A 84 12.739 10.800 4.295 1.00 0.36 O ATOM 0 H TYR A 84 10.552 11.276 -2.718 1.00 0.32 H new ATOM 0 HA TYR A 84 13.195 12.039 -1.647 1.00 0.35 H new ATOM 0 HB2 TYR A 84 11.812 9.347 -1.573 1.00 0.30 H new ATOM 0 HB3 TYR A 84 13.561 9.456 -1.610 1.00 0.30 H new ATOM 0 HD1 TYR A 84 10.551 10.359 0.370 1.00 0.29 H new ATOM 0 HD2 TYR A 84 14.801 10.087 0.352 1.00 0.36 H new ATOM 0 HE1 TYR A 84 10.587 10.715 2.802 1.00 0.32 H new ATOM 0 HE2 TYR A 84 14.836 10.448 2.780 1.00 0.36 H new ATOM 0 HH TYR A 84 13.667 10.788 4.610 1.00 0.36 H new ATOM 1017 N ALA A 85 14.355 11.251 -3.728 1.00 0.44 N ATOM 1018 CA ALA A 85 14.982 11.083 -5.034 1.00 0.51 C ATOM 1019 C ALA A 85 16.097 10.049 -4.978 1.00 0.64 C ATOM 1020 O ALA A 85 16.849 9.999 -4.007 1.00 0.68 O ATOM 1021 CB ALA A 85 15.531 12.417 -5.524 1.00 0.52 C ATOM 0 H ALA A 85 15.003 11.511 -2.984 1.00 0.44 H new ATOM 0 HA ALA A 85 14.224 10.727 -5.732 1.00 0.51 H new ATOM 0 HB1 ALA A 85 15.997 12.282 -6.500 1.00 0.52 H new ATOM 0 HB2 ALA A 85 14.717 13.137 -5.607 1.00 0.52 H new ATOM 0 HB3 ALA A 85 16.272 12.788 -4.816 1.00 0.52 H new ATOM 1027 N LYS A 86 16.233 9.248 -6.031 1.00 0.80 N ATOM 1028 CA LYS A 86 17.298 8.255 -6.077 1.00 1.00 C ATOM 1029 C LYS A 86 18.532 8.865 -6.704 1.00 1.41 C ATOM 1030 O LYS A 86 18.497 9.300 -7.856 1.00 1.94 O ATOM 1031 CB LYS A 86 16.893 7.019 -6.875 1.00 1.31 C ATOM 1032 CG LYS A 86 17.849 5.849 -6.700 1.00 1.31 C ATOM 1033 CD LYS A 86 17.367 4.617 -7.447 1.00 1.52 C ATOM 1034 CE LYS A 86 17.864 4.605 -8.882 1.00 2.11 C ATOM 1035 NZ LYS A 86 16.955 3.841 -9.780 1.00 3.09 N ATOM 0 H LYS A 86 15.628 9.267 -6.852 1.00 0.80 H new ATOM 0 HA LYS A 86 17.502 7.944 -5.052 1.00 1.00 H new ATOM 0 HB2 LYS A 86 15.893 6.710 -6.571 1.00 1.31 H new ATOM 0 HB3 LYS A 86 16.838 7.279 -7.932 1.00 1.31 H new ATOM 0 HG2 LYS A 86 18.839 6.130 -7.060 1.00 1.31 H new ATOM 0 HG3 LYS A 86 17.950 5.616 -5.640 1.00 1.31 H new ATOM 0 HD2 LYS A 86 17.714 3.720 -6.933 1.00 1.52 H new ATOM 0 HD3 LYS A 86 16.277 4.588 -7.438 1.00 1.52 H new ATOM 0 HE2 LYS A 86 17.954 5.629 -9.243 1.00 2.11 H new ATOM 0 HE3 LYS A 86 18.861 4.166 -8.917 1.00 2.11 H new ATOM 0 HZ1 LYS A 86 17.331 3.857 -10.750 1.00 3.09 H new ATOM 0 HZ2 LYS A 86 16.889 2.857 -9.451 1.00 3.09 H new ATOM 0 HZ3 LYS A 86 16.010 4.274 -9.767 1.00 3.09 H new ATOM 1049 N GLY A 87 19.625 8.902 -5.956 1.00 1.29 N ATOM 1050 CA GLY A 87 20.838 9.470 -6.495 1.00 1.77 C ATOM 1051 C GLY A 87 21.317 8.698 -7.701 1.00 2.25 C ATOM 1052 O GLY A 87 20.610 7.821 -8.198 1.00 2.39 O ATOM 0 H GLY A 87 19.692 8.554 -5.000 1.00 1.29 H new ATOM 0 HA2 GLY A 87 20.663 10.510 -6.772 1.00 1.77 H new ATOM 0 HA3 GLY A 87 21.614 9.470 -5.729 1.00 1.77 H new ATOM 1056 N ASP A 88 22.507 9.015 -8.188 1.00 2.65 N ATOM 1057 CA ASP A 88 23.046 8.333 -9.354 1.00 3.15 C ATOM 1058 C ASP A 88 23.715 7.011 -8.984 1.00 2.99 C ATOM 1059 O ASP A 88 24.679 6.602 -9.632 1.00 3.40 O ATOM 1060 CB ASP A 88 24.040 9.234 -10.091 1.00 3.64 C ATOM 1061 CG ASP A 88 25.031 9.898 -9.156 1.00 3.89 C ATOM 1062 OD1 ASP A 88 26.066 9.272 -8.846 1.00 4.11 O ATOM 1063 OD2 ASP A 88 24.771 11.045 -8.734 1.00 4.30 O ATOM 0 H ASP A 88 23.114 9.735 -7.797 1.00 2.65 H new ATOM 0 HA ASP A 88 22.207 8.108 -10.012 1.00 3.15 H new ATOM 0 HB2 ASP A 88 24.583 8.643 -10.829 1.00 3.64 H new ATOM 0 HB3 ASP A 88 23.492 10.001 -10.638 1.00 3.64 H new ATOM 1068 N ASP A 89 23.200 6.326 -7.961 1.00 2.50 N ATOM 1069 CA ASP A 89 23.761 5.045 -7.556 1.00 2.33 C ATOM 1070 C ASP A 89 22.664 3.992 -7.479 1.00 1.98 C ATOM 1071 O ASP A 89 22.429 3.243 -8.428 1.00 1.80 O ATOM 1072 CB ASP A 89 24.496 5.183 -6.216 1.00 2.17 C ATOM 1073 CG ASP A 89 25.434 6.374 -6.191 1.00 2.86 C ATOM 1074 OD1 ASP A 89 26.016 6.694 -7.249 1.00 3.51 O ATOM 1075 OD2 ASP A 89 25.588 6.986 -5.112 1.00 3.11 O ATOM 0 H ASP A 89 22.403 6.637 -7.405 1.00 2.50 H new ATOM 0 HA ASP A 89 24.486 4.723 -8.303 1.00 2.33 H new ATOM 0 HB2 ASP A 89 23.766 5.282 -5.413 1.00 2.17 H new ATOM 0 HB3 ASP A 89 25.063 4.273 -6.021 1.00 2.17 H new ATOM 1080 N ASP A 90 21.993 3.965 -6.351 1.00 2.01 N ATOM 1081 CA ASP A 90 20.900 3.046 -6.102 1.00 1.83 C ATOM 1082 C ASP A 90 20.324 3.337 -4.732 1.00 1.46 C ATOM 1083 O ASP A 90 19.797 2.456 -4.058 1.00 1.56 O ATOM 1084 CB ASP A 90 21.382 1.600 -6.180 1.00 2.05 C ATOM 1085 CG ASP A 90 20.698 0.815 -7.282 1.00 2.47 C ATOM 1086 OD1 ASP A 90 19.571 0.327 -7.051 1.00 2.98 O ATOM 1087 OD2 ASP A 90 21.287 0.686 -8.374 1.00 2.68 O ATOM 0 H ASP A 90 22.191 4.588 -5.568 1.00 2.01 H new ATOM 0 HA ASP A 90 20.131 3.181 -6.862 1.00 1.83 H new ATOM 0 HB2 ASP A 90 22.459 1.589 -6.346 1.00 2.05 H new ATOM 0 HB3 ASP A 90 21.202 1.109 -5.224 1.00 2.05 H new ATOM 1092 N LYS A 91 20.441 4.596 -4.340 1.00 1.26 N ATOM 1093 CA LYS A 91 19.950 5.052 -3.056 1.00 0.94 C ATOM 1094 C LYS A 91 19.061 6.269 -3.224 1.00 0.97 C ATOM 1095 O LYS A 91 19.112 6.945 -4.250 1.00 1.41 O ATOM 1096 CB LYS A 91 21.124 5.388 -2.155 1.00 1.05 C ATOM 1097 CG LYS A 91 21.526 4.245 -1.251 1.00 0.97 C ATOM 1098 CD LYS A 91 22.743 4.593 -0.409 1.00 1.26 C ATOM 1099 CE LYS A 91 23.989 3.883 -0.914 1.00 1.48 C ATOM 1100 NZ LYS A 91 25.236 4.496 -0.379 1.00 2.02 N ATOM 0 H LYS A 91 20.878 5.326 -4.903 1.00 1.26 H new ATOM 0 HA LYS A 91 19.359 4.256 -2.603 1.00 0.94 H new ATOM 0 HB2 LYS A 91 21.977 5.673 -2.771 1.00 1.05 H new ATOM 0 HB3 LYS A 91 20.869 6.254 -1.544 1.00 1.05 H new ATOM 0 HG2 LYS A 91 20.693 3.988 -0.597 1.00 0.97 H new ATOM 0 HG3 LYS A 91 21.741 3.363 -1.854 1.00 0.97 H new ATOM 0 HD2 LYS A 91 22.904 5.671 -0.428 1.00 1.26 H new ATOM 0 HD3 LYS A 91 22.560 4.316 0.629 1.00 1.26 H new ATOM 0 HE2 LYS A 91 23.949 2.832 -0.626 1.00 1.48 H new ATOM 0 HE3 LYS A 91 24.008 3.915 -2.003 1.00 1.48 H new ATOM 0 HZ1 LYS A 91 26.061 3.982 -0.748 1.00 2.02 H new ATOM 0 HZ2 LYS A 91 25.288 5.492 -0.675 1.00 2.02 H new ATOM 0 HZ3 LYS A 91 25.231 4.443 0.660 1.00 2.02 H new ATOM 1114 N TRP A 92 18.237 6.533 -2.221 1.00 0.52 N ATOM 1115 CA TRP A 92 17.319 7.664 -2.272 1.00 0.45 C ATOM 1116 C TRP A 92 17.611 8.698 -1.190 1.00 0.43 C ATOM 1117 O TRP A 92 18.172 8.384 -0.140 1.00 0.52 O ATOM 1118 CB TRP A 92 15.873 7.176 -2.138 1.00 0.42 C ATOM 1119 CG TRP A 92 15.425 6.305 -3.274 1.00 0.49 C ATOM 1120 CD1 TRP A 92 15.719 4.986 -3.460 1.00 0.60 C ATOM 1121 CD2 TRP A 92 14.601 6.691 -4.380 1.00 0.53 C ATOM 1122 NE1 TRP A 92 15.128 4.527 -4.611 1.00 0.72 N ATOM 1123 CE2 TRP A 92 14.437 5.554 -5.194 1.00 0.68 C ATOM 1124 CE3 TRP A 92 13.985 7.886 -4.760 1.00 0.52 C ATOM 1125 CZ2 TRP A 92 13.684 5.578 -6.365 1.00 0.79 C ATOM 1126 CZ3 TRP A 92 13.240 7.910 -5.922 1.00 0.62 C ATOM 1127 CH2 TRP A 92 13.094 6.762 -6.713 1.00 0.75 C ATOM 0 H TRP A 92 18.184 5.982 -1.364 1.00 0.52 H new ATOM 0 HA TRP A 92 17.461 8.148 -3.238 1.00 0.45 H new ATOM 0 HB2 TRP A 92 15.770 6.623 -1.205 1.00 0.42 H new ATOM 0 HB3 TRP A 92 15.212 8.040 -2.071 1.00 0.42 H new ATOM 0 HD1 TRP A 92 16.328 4.389 -2.798 1.00 0.60 H new ATOM 0 HE1 TRP A 92 15.193 3.575 -4.973 1.00 0.72 H new ATOM 0 HE3 TRP A 92 14.090 8.775 -4.156 1.00 0.52 H new ATOM 0 HZ2 TRP A 92 13.570 4.695 -6.976 1.00 0.79 H new ATOM 0 HZ3 TRP A 92 12.761 8.829 -6.227 1.00 0.62 H new ATOM 0 HH2 TRP A 92 12.504 6.813 -7.616 1.00 0.75 H new ATOM 1138 N HIS A 93 17.198 9.933 -1.461 1.00 0.40 N ATOM 1139 CA HIS A 93 17.363 11.049 -0.536 1.00 0.48 C ATOM 1140 C HIS A 93 16.125 11.934 -0.617 1.00 0.48 C ATOM 1141 O HIS A 93 15.624 12.195 -1.710 1.00 0.46 O ATOM 1142 CB HIS A 93 18.624 11.851 -0.870 1.00 0.62 C ATOM 1143 CG HIS A 93 18.641 12.401 -2.262 1.00 0.75 C ATOM 1144 ND1 HIS A 93 18.467 13.739 -2.543 1.00 1.11 N ATOM 1145 CD2 HIS A 93 18.818 11.789 -3.457 1.00 0.83 C ATOM 1146 CE1 HIS A 93 18.534 13.928 -3.848 1.00 1.15 C ATOM 1147 NE2 HIS A 93 18.748 12.759 -4.425 1.00 0.95 N ATOM 0 H HIS A 93 16.737 10.189 -2.334 1.00 0.40 H new ATOM 0 HA HIS A 93 17.477 10.668 0.479 1.00 0.48 H new ATOM 0 HB2 HIS A 93 18.717 12.675 -0.163 1.00 0.62 H new ATOM 0 HB3 HIS A 93 19.496 11.212 -0.731 1.00 0.62 H new ATOM 0 HD2 HIS A 93 18.983 10.734 -3.618 1.00 0.83 H new ATOM 0 HE1 HIS A 93 18.431 14.875 -4.356 1.00 1.15 H new ATOM 0 HE2 HIS A 93 18.845 12.603 -5.428 1.00 0.95 H new ATOM 1155 N LYS A 94 15.595 12.362 0.527 1.00 0.49 N ATOM 1156 CA LYS A 94 14.379 13.167 0.521 1.00 0.48 C ATOM 1157 C LYS A 94 14.501 14.424 -0.317 1.00 0.49 C ATOM 1158 O LYS A 94 15.345 15.285 -0.075 1.00 0.51 O ATOM 1159 CB LYS A 94 13.910 13.546 1.920 1.00 0.58 C ATOM 1160 CG LYS A 94 12.414 13.822 1.950 1.00 0.57 C ATOM 1161 CD LYS A 94 11.924 14.206 3.334 1.00 0.75 C ATOM 1162 CE LYS A 94 10.436 13.922 3.488 1.00 0.86 C ATOM 1163 NZ LYS A 94 9.723 15.046 4.155 1.00 0.93 N ATOM 0 H LYS A 94 15.980 12.169 1.452 1.00 0.49 H new ATOM 0 HA LYS A 94 13.631 12.518 0.065 1.00 0.48 H new ATOM 0 HB2 LYS A 94 14.147 12.740 2.615 1.00 0.58 H new ATOM 0 HB3 LYS A 94 14.451 14.429 2.260 1.00 0.58 H new ATOM 0 HG2 LYS A 94 12.181 14.624 1.250 1.00 0.57 H new ATOM 0 HG3 LYS A 94 11.877 12.936 1.610 1.00 0.57 H new ATOM 0 HD2 LYS A 94 12.483 13.651 4.088 1.00 0.75 H new ATOM 0 HD3 LYS A 94 12.115 15.265 3.510 1.00 0.75 H new ATOM 0 HE2 LYS A 94 9.997 13.745 2.506 1.00 0.86 H new ATOM 0 HE3 LYS A 94 10.299 13.010 4.068 1.00 0.86 H new ATOM 0 HZ1 LYS A 94 8.713 14.814 4.241 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 10.125 15.199 5.102 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 9.832 15.911 3.589 1.00 0.93 H new ATOM 1177 N LYS A 95 13.607 14.516 -1.288 1.00 0.52 N ATOM 1178 CA LYS A 95 13.530 15.648 -2.174 1.00 0.58 C ATOM 1179 C LYS A 95 12.787 16.790 -1.482 1.00 0.68 C ATOM 1180 O LYS A 95 13.399 17.699 -0.924 1.00 0.93 O ATOM 1181 CB LYS A 95 12.813 15.238 -3.457 1.00 0.56 C ATOM 1182 CG LYS A 95 13.722 14.564 -4.466 1.00 0.56 C ATOM 1183 CD LYS A 95 14.337 15.570 -5.424 1.00 0.65 C ATOM 1184 CE LYS A 95 13.445 15.793 -6.637 1.00 0.96 C ATOM 1185 NZ LYS A 95 13.894 16.952 -7.456 1.00 1.87 N ATOM 0 H LYS A 95 12.911 13.795 -1.479 1.00 0.52 H new ATOM 0 HA LYS A 95 14.534 15.990 -2.427 1.00 0.58 H new ATOM 0 HB2 LYS A 95 11.995 14.562 -3.207 1.00 0.56 H new ATOM 0 HB3 LYS A 95 12.368 16.122 -3.914 1.00 0.56 H new ATOM 0 HG2 LYS A 95 14.514 14.028 -3.942 1.00 0.56 H new ATOM 0 HG3 LYS A 95 13.155 13.823 -5.030 1.00 0.56 H new ATOM 0 HD2 LYS A 95 14.497 16.517 -4.908 1.00 0.65 H new ATOM 0 HD3 LYS A 95 15.315 15.215 -5.749 1.00 0.65 H new ATOM 0 HE2 LYS A 95 13.440 14.894 -7.253 1.00 0.96 H new ATOM 0 HE3 LYS A 95 12.419 15.958 -6.307 1.00 0.96 H new ATOM 0 HZ1 LYS A 95 13.259 17.068 -8.271 1.00 1.87 H new ATOM 0 HZ2 LYS A 95 13.874 17.815 -6.876 1.00 1.87 H new ATOM 0 HZ3 LYS A 95 14.863 16.784 -7.793 1.00 1.87 H new ATOM 1199 N SER A 96 11.459 16.727 -1.523 1.00 0.74 N ATOM 1200 CA SER A 96 10.617 17.746 -0.900 1.00 0.87 C ATOM 1201 C SER A 96 10.714 17.675 0.620 1.00 0.86 C ATOM 1202 O SER A 96 10.864 16.554 1.153 1.00 1.19 O ATOM 1203 CB SER A 96 9.160 17.575 -1.333 1.00 1.27 C ATOM 1204 OG SER A 96 8.332 18.547 -0.722 1.00 1.84 O ATOM 1205 OXT SER A 96 10.635 18.740 1.268 1.00 1.65 O ATOM 0 H SER A 96 10.941 15.978 -1.983 1.00 0.74 H new ATOM 0 HA SER A 96 10.974 18.722 -1.228 1.00 0.87 H new ATOM 0 HB2 SER A 96 9.087 17.659 -2.417 1.00 1.27 H new ATOM 0 HB3 SER A 96 8.812 16.577 -1.067 1.00 1.27 H new ATOM 0 HG SER A 96 7.406 18.419 -1.015 1.00 1.84 H new