USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=17 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= 0.122 USER MOD Set 1.2: A 67 SER OG : rot -93:sc= 0.0944 USER MOD Set 1.3: A 71 THR OG1 : rot 152:sc= 0.192 USER MOD Set 2.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 23 TYR OH : rot -125:sc= -2.59! USER MOD Set 3.2: A 45 TYR OH : rot 151:sc= 1.39 USER MOD Set 3.3: A 73 HIS : no HE2:sc= -4.82! K(o=-6!,f=-1.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 32 SER OG : rot -34:sc= 0.0215 USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0.735 (180deg=0.677) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.397 K(o=-0.4,f=-1.6) USER MOD Single : A 42 GLN : amide:sc= -0.628! K(o=-0.63!,f=-2.7) USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -0.249 (180deg=-1.12) USER MOD Single : A 50 ASN : amide:sc= -0.0269 X(o=-0.027,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.35) USER MOD Single : A 57 LYS NZ :NH3+ -165:sc= -0.194 (180deg=-0.565) USER MOD Single : A 74 LYS NZ :NH3+ -149:sc= -0.87 (180deg=-2.02!) 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) USER MOD Single : A 84 TYR OH : rot 180:sc= -1.87! 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= -1.74 K(o=-1.7,f=-0.33) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 1.575 -6.010 4.264 1.00 0.68 N ATOM 2 CA PRO A 22 2.950 -6.507 4.279 1.00 0.81 C ATOM 3 C PRO A 22 3.861 -5.666 5.168 1.00 0.62 C ATOM 4 O PRO A 22 4.938 -6.105 5.573 1.00 0.76 O ATOM 5 CB PRO A 22 3.401 -6.402 2.815 1.00 0.95 C ATOM 6 CG PRO A 22 2.166 -6.108 2.039 1.00 0.89 C ATOM 7 CD PRO A 22 1.235 -5.406 2.978 1.00 0.64 C ATOM 0 HA PRO A 22 3.002 -7.519 4.681 1.00 0.81 H new ATOM 0 HB2 PRO A 22 4.142 -5.612 2.688 1.00 0.95 H new ATOM 0 HB3 PRO A 22 3.864 -7.330 2.479 1.00 0.95 H new ATOM 0 HG2 PRO A 22 2.390 -5.483 1.174 1.00 0.89 H new ATOM 0 HG3 PRO A 22 1.717 -7.026 1.661 1.00 0.89 H new ATOM 0 HD2 PRO A 22 1.396 -4.328 2.980 1.00 0.64 H new ATOM 0 HD3 PRO A 22 0.190 -5.572 2.714 1.00 0.64 H new ATOM 15 N TYR A 23 3.415 -4.448 5.463 1.00 0.49 N ATOM 16 CA TYR A 23 4.172 -3.528 6.302 1.00 0.51 C ATOM 17 C TYR A 23 3.408 -3.223 7.584 1.00 0.77 C ATOM 18 O TYR A 23 2.188 -3.054 7.557 1.00 1.47 O ATOM 19 CB TYR A 23 4.444 -2.233 5.542 1.00 0.50 C ATOM 20 CG TYR A 23 5.131 -2.449 4.219 1.00 0.32 C ATOM 21 CD1 TYR A 23 6.091 -3.440 4.075 1.00 0.40 C ATOM 22 CD2 TYR A 23 4.817 -1.669 3.112 1.00 0.42 C ATOM 23 CE1 TYR A 23 6.719 -3.649 2.869 1.00 0.38 C ATOM 24 CE2 TYR A 23 5.443 -1.872 1.898 1.00 0.49 C ATOM 25 CZ TYR A 23 6.393 -2.866 1.782 1.00 0.32 C ATOM 26 OH TYR A 23 7.026 -3.073 0.579 1.00 0.58 O ATOM 0 H TYR A 23 2.526 -4.075 5.130 1.00 0.49 H new ATOM 0 HA TYR A 23 5.120 -3.998 6.563 1.00 0.51 H new ATOM 0 HB2 TYR A 23 3.500 -1.715 5.373 1.00 0.50 H new ATOM 0 HB3 TYR A 23 5.060 -1.580 6.160 1.00 0.50 H new ATOM 0 HD1 TYR A 23 6.349 -4.057 4.923 1.00 0.40 H new ATOM 0 HD2 TYR A 23 4.072 -0.892 3.203 1.00 0.42 H new ATOM 0 HE1 TYR A 23 7.465 -4.424 2.774 1.00 0.38 H new ATOM 0 HE2 TYR A 23 5.191 -1.258 1.046 1.00 0.49 H new ATOM 0 HH TYR A 23 7.429 -2.234 0.273 1.00 0.58 H new ATOM 36 N LYS A 24 4.117 -3.158 8.706 1.00 0.58 N ATOM 37 CA LYS A 24 3.471 -2.882 9.984 1.00 0.74 C ATOM 38 C LYS A 24 3.950 -1.571 10.608 1.00 0.46 C ATOM 39 O LYS A 24 3.137 -0.800 11.114 1.00 0.48 O ATOM 40 CB LYS A 24 3.689 -4.043 10.955 1.00 1.13 C ATOM 41 CG LYS A 24 2.996 -5.328 10.528 1.00 1.69 C ATOM 42 CD LYS A 24 1.481 -5.200 10.593 1.00 2.10 C ATOM 43 CE LYS A 24 0.968 -5.390 12.012 1.00 2.94 C ATOM 44 NZ LYS A 24 -0.425 -5.914 12.032 1.00 3.49 N ATOM 0 H LYS A 24 5.127 -3.291 8.757 1.00 0.58 H new ATOM 0 HA LYS A 24 2.405 -2.774 9.786 1.00 0.74 H new ATOM 0 HB2 LYS A 24 4.758 -4.231 11.051 1.00 1.13 H new ATOM 0 HB3 LYS A 24 3.327 -3.754 11.942 1.00 1.13 H new ATOM 0 HG2 LYS A 24 3.296 -5.583 9.512 1.00 1.69 H new ATOM 0 HG3 LYS A 24 3.320 -6.147 11.171 1.00 1.69 H new ATOM 0 HD2 LYS A 24 1.181 -4.219 10.225 1.00 2.10 H new ATOM 0 HD3 LYS A 24 1.023 -5.940 9.937 1.00 2.10 H new ATOM 0 HE2 LYS A 24 1.623 -6.079 12.546 1.00 2.94 H new ATOM 0 HE3 LYS A 24 1.006 -4.438 12.542 1.00 2.94 H new ATOM 0 HZ1 LYS A 24 -0.738 -6.030 13.017 1.00 3.49 H new ATOM 0 HZ2 LYS A 24 -1.055 -5.245 11.545 1.00 3.49 H new ATOM 0 HZ3 LYS A 24 -0.457 -6.834 11.548 1.00 3.49 H new ATOM 58 N THR A 25 5.257 -1.299 10.576 1.00 0.51 N ATOM 59 CA THR A 25 5.776 -0.053 11.147 1.00 0.54 C ATOM 60 C THR A 25 6.620 0.725 10.137 1.00 0.71 C ATOM 61 O THR A 25 6.412 1.920 9.924 1.00 1.50 O ATOM 62 CB THR A 25 6.587 -0.335 12.413 1.00 0.71 C ATOM 63 OG1 THR A 25 7.839 -0.923 12.100 1.00 0.98 O ATOM 64 CG2 THR A 25 5.871 -1.254 13.379 1.00 0.57 C ATOM 0 H THR A 25 5.964 -1.911 10.169 1.00 0.51 H new ATOM 0 HA THR A 25 4.918 0.566 11.409 1.00 0.54 H new ATOM 0 HB THR A 25 6.727 0.636 12.888 1.00 0.71 H new ATOM 0 HG1 THR A 25 8.337 -1.091 12.927 1.00 0.98 H new ATOM 0 HG21 THR A 25 6.496 -1.417 14.257 1.00 0.57 H new ATOM 0 HG22 THR A 25 4.929 -0.799 13.683 1.00 0.57 H new ATOM 0 HG23 THR A 25 5.672 -2.209 12.893 1.00 0.57 H new ATOM 72 N LYS A 26 7.579 0.035 9.523 1.00 0.34 N ATOM 73 CA LYS A 26 8.470 0.642 8.536 1.00 0.34 C ATOM 74 C LYS A 26 9.584 -0.330 8.174 1.00 0.39 C ATOM 75 O LYS A 26 9.831 -0.605 7.001 1.00 0.42 O ATOM 76 CB LYS A 26 9.079 1.948 9.067 1.00 0.42 C ATOM 77 CG LYS A 26 8.797 3.155 8.197 1.00 0.66 C ATOM 78 CD LYS A 26 8.962 4.451 8.978 1.00 0.83 C ATOM 79 CE LYS A 26 10.389 4.969 8.912 1.00 0.99 C ATOM 80 NZ LYS A 26 10.613 6.101 9.854 1.00 1.34 N ATOM 0 H LYS A 26 7.760 -0.954 9.694 1.00 0.34 H new ATOM 0 HA LYS A 26 7.882 0.873 7.648 1.00 0.34 H new ATOM 0 HB2 LYS A 26 8.693 2.136 10.069 1.00 0.42 H new ATOM 0 HB3 LYS A 26 10.158 1.823 9.159 1.00 0.42 H new ATOM 0 HG2 LYS A 26 9.473 3.155 7.342 1.00 0.66 H new ATOM 0 HG3 LYS A 26 7.783 3.092 7.802 1.00 0.66 H new ATOM 0 HD2 LYS A 26 8.282 5.205 8.580 1.00 0.83 H new ATOM 0 HD3 LYS A 26 8.682 4.287 10.019 1.00 0.83 H new ATOM 0 HE2 LYS A 26 11.080 4.159 9.146 1.00 0.99 H new ATOM 0 HE3 LYS A 26 10.611 5.293 7.895 1.00 0.99 H new ATOM 0 HZ1 LYS A 26 11.598 6.426 9.779 1.00 1.34 H new ATOM 0 HZ2 LYS A 26 9.971 6.884 9.615 1.00 1.34 H new ATOM 0 HZ3 LYS A 26 10.426 5.785 10.827 1.00 1.34 H new ATOM 94 N SER A 27 10.252 -0.856 9.196 1.00 0.45 N ATOM 95 CA SER A 27 11.334 -1.808 8.990 1.00 0.54 C ATOM 96 C SER A 27 10.844 -3.026 8.213 1.00 0.50 C ATOM 97 O SER A 27 11.636 -3.751 7.610 1.00 0.52 O ATOM 98 CB SER A 27 11.928 -2.239 10.332 1.00 0.66 C ATOM 99 OG SER A 27 10.933 -2.278 11.342 1.00 1.66 O ATOM 0 H SER A 27 10.062 -0.638 10.174 1.00 0.45 H new ATOM 0 HA SER A 27 12.111 -1.318 8.404 1.00 0.54 H new ATOM 0 HB2 SER A 27 12.387 -3.223 10.231 1.00 0.66 H new ATOM 0 HB3 SER A 27 12.718 -1.547 10.622 1.00 0.66 H new ATOM 0 HG SER A 27 11.338 -2.558 12.189 1.00 1.66 H new ATOM 105 N ASP A 28 9.531 -3.239 8.220 1.00 0.49 N ATOM 106 CA ASP A 28 8.934 -4.357 7.504 1.00 0.49 C ATOM 107 C ASP A 28 9.078 -4.173 5.997 1.00 0.48 C ATOM 108 O ASP A 28 8.868 -5.109 5.226 1.00 0.66 O ATOM 109 CB ASP A 28 7.461 -4.492 7.881 1.00 0.50 C ATOM 110 CG ASP A 28 7.275 -5.237 9.188 1.00 1.20 C ATOM 111 OD1 ASP A 28 7.830 -6.346 9.322 1.00 1.87 O ATOM 112 OD2 ASP A 28 6.580 -4.707 10.078 1.00 1.58 O ATOM 0 H ASP A 28 8.861 -2.650 8.715 1.00 0.49 H new ATOM 0 HA ASP A 28 9.459 -5.269 7.788 1.00 0.49 H new ATOM 0 HB2 ASP A 28 7.015 -3.501 7.962 1.00 0.50 H new ATOM 0 HB3 ASP A 28 6.930 -5.016 7.086 1.00 0.50 H new ATOM 117 N LEU A 29 9.446 -2.964 5.582 1.00 0.42 N ATOM 118 CA LEU A 29 9.627 -2.668 4.171 1.00 0.42 C ATOM 119 C LEU A 29 10.692 -3.575 3.562 1.00 0.51 C ATOM 120 O LEU A 29 11.417 -4.258 4.280 1.00 0.59 O ATOM 121 CB LEU A 29 10.010 -1.202 3.986 1.00 0.40 C ATOM 122 CG LEU A 29 8.905 -0.203 4.324 1.00 0.30 C ATOM 123 CD1 LEU A 29 9.464 1.202 4.388 1.00 0.24 C ATOM 124 CD2 LEU A 29 7.777 -0.275 3.308 1.00 0.34 C ATOM 0 H LEU A 29 9.624 -2.176 6.205 1.00 0.42 H new ATOM 0 HA LEU A 29 8.685 -2.853 3.656 1.00 0.42 H new ATOM 0 HB2 LEU A 29 10.878 -0.987 4.609 1.00 0.40 H new ATOM 0 HB3 LEU A 29 10.315 -1.049 2.951 1.00 0.40 H new ATOM 0 HG LEU A 29 8.501 -0.465 5.302 1.00 0.30 H new ATOM 0 HD11 LEU A 29 8.664 1.901 4.630 1.00 0.24 H new ATOM 0 HD12 LEU A 29 10.235 1.252 5.157 1.00 0.24 H new ATOM 0 HD13 LEU A 29 9.897 1.466 3.423 1.00 0.24 H new ATOM 0 HD21 LEU A 29 7.003 0.446 3.572 1.00 0.34 H new ATOM 0 HD22 LEU A 29 8.165 -0.044 2.316 1.00 0.34 H new ATOM 0 HD23 LEU A 29 7.352 -1.279 3.307 1.00 0.34 H new ATOM 136 N PRO A 30 10.787 -3.602 2.224 1.00 0.50 N ATOM 137 CA PRO A 30 11.755 -4.437 1.513 1.00 0.55 C ATOM 138 C PRO A 30 13.191 -3.975 1.727 1.00 0.57 C ATOM 139 O PRO A 30 13.486 -2.783 1.688 1.00 0.98 O ATOM 140 CB PRO A 30 11.346 -4.288 0.039 1.00 0.53 C ATOM 141 CG PRO A 30 9.983 -3.699 0.068 1.00 0.58 C ATOM 142 CD PRO A 30 9.950 -2.841 1.290 1.00 0.48 C ATOM 0 HA PRO A 30 11.739 -5.468 1.866 1.00 0.55 H new ATOM 0 HB2 PRO A 30 12.041 -3.644 -0.499 1.00 0.53 H new ATOM 0 HB3 PRO A 30 11.347 -5.252 -0.469 1.00 0.53 H new ATOM 0 HG2 PRO A 30 9.789 -3.112 -0.830 1.00 0.58 H new ATOM 0 HG3 PRO A 30 9.220 -4.476 0.112 1.00 0.58 H new ATOM 0 HD2 PRO A 30 10.353 -1.846 1.100 1.00 0.48 H new ATOM 0 HD3 PRO A 30 8.936 -2.708 1.667 1.00 0.48 H new ATOM 150 N GLU A 31 14.080 -4.933 1.970 1.00 0.57 N ATOM 151 CA GLU A 31 15.488 -4.625 2.206 1.00 0.53 C ATOM 152 C GLU A 31 16.041 -3.697 1.123 1.00 0.32 C ATOM 153 O GLU A 31 16.726 -2.727 1.430 1.00 0.55 O ATOM 154 CB GLU A 31 16.318 -5.911 2.295 1.00 0.67 C ATOM 155 CG GLU A 31 16.256 -6.793 1.057 1.00 1.21 C ATOM 156 CD GLU A 31 15.188 -7.865 1.155 1.00 2.01 C ATOM 157 OE1 GLU A 31 14.017 -7.515 1.404 1.00 2.85 O ATOM 158 OE2 GLU A 31 15.524 -9.055 0.981 1.00 2.34 O ATOM 0 H GLU A 31 13.852 -5.927 2.009 1.00 0.57 H new ATOM 0 HA GLU A 31 15.560 -4.104 3.161 1.00 0.53 H new ATOM 0 HB2 GLU A 31 17.358 -5.644 2.483 1.00 0.67 H new ATOM 0 HB3 GLU A 31 15.977 -6.489 3.154 1.00 0.67 H new ATOM 0 HG2 GLU A 31 16.062 -6.172 0.183 1.00 1.21 H new ATOM 0 HG3 GLU A 31 17.226 -7.265 0.904 1.00 1.21 H new ATOM 165 N SER A 32 15.725 -3.978 -0.137 1.00 0.22 N ATOM 166 CA SER A 32 16.187 -3.141 -1.244 1.00 0.47 C ATOM 167 C SER A 32 15.568 -1.749 -1.165 1.00 0.72 C ATOM 168 O SER A 32 15.971 -0.835 -1.882 1.00 1.38 O ATOM 169 CB SER A 32 15.833 -3.784 -2.581 1.00 0.58 C ATOM 170 OG SER A 32 16.628 -3.261 -3.630 1.00 1.23 O ATOM 0 H SER A 32 15.154 -4.775 -0.419 1.00 0.22 H new ATOM 0 HA SER A 32 17.270 -3.049 -1.167 1.00 0.47 H new ATOM 0 HB2 SER A 32 15.975 -4.863 -2.517 1.00 0.58 H new ATOM 0 HB3 SER A 32 14.779 -3.614 -2.801 1.00 0.58 H new ATOM 0 HG SER A 32 16.820 -2.316 -3.455 1.00 1.23 H new ATOM 176 N VAL A 33 14.595 -1.602 -0.278 1.00 0.25 N ATOM 177 CA VAL A 33 13.918 -0.337 -0.076 1.00 0.32 C ATOM 178 C VAL A 33 14.518 0.378 1.128 1.00 0.34 C ATOM 179 O VAL A 33 14.951 1.524 1.034 1.00 0.45 O ATOM 180 CB VAL A 33 12.409 -0.567 0.127 1.00 0.36 C ATOM 181 CG1 VAL A 33 11.681 0.748 0.370 1.00 0.38 C ATOM 182 CG2 VAL A 33 11.836 -1.291 -1.081 1.00 0.48 C ATOM 0 H VAL A 33 14.256 -2.356 0.319 1.00 0.25 H new ATOM 0 HA VAL A 33 14.052 0.287 -0.959 1.00 0.32 H new ATOM 0 HB VAL A 33 12.265 -1.187 1.012 1.00 0.36 H new ATOM 0 HG11 VAL A 33 10.617 0.555 0.510 1.00 0.38 H new ATOM 0 HG12 VAL A 33 12.083 1.227 1.263 1.00 0.38 H new ATOM 0 HG13 VAL A 33 11.820 1.405 -0.488 1.00 0.38 H new ATOM 0 HG21 VAL A 33 10.768 -1.453 -0.935 1.00 0.48 H new ATOM 0 HG22 VAL A 33 11.993 -0.688 -1.975 1.00 0.48 H new ATOM 0 HG23 VAL A 33 12.336 -2.252 -1.200 1.00 0.48 H new ATOM 192 N LYS A 34 14.549 -0.315 2.258 1.00 0.34 N ATOM 193 CA LYS A 34 15.107 0.234 3.485 1.00 0.41 C ATOM 194 C LYS A 34 16.605 0.506 3.335 1.00 0.40 C ATOM 195 O LYS A 34 17.149 1.414 3.964 1.00 0.42 O ATOM 196 CB LYS A 34 14.887 -0.749 4.631 1.00 0.42 C ATOM 197 CG LYS A 34 13.430 -1.108 4.851 1.00 0.44 C ATOM 198 CD LYS A 34 13.267 -2.108 5.983 1.00 0.59 C ATOM 199 CE LYS A 34 13.974 -3.423 5.682 1.00 0.66 C ATOM 200 NZ LYS A 34 14.338 -4.162 6.923 1.00 1.25 N ATOM 0 H LYS A 34 14.191 -1.266 2.350 1.00 0.34 H new ATOM 0 HA LYS A 34 14.602 1.177 3.697 1.00 0.41 H new ATOM 0 HB2 LYS A 34 15.451 -1.660 4.431 1.00 0.42 H new ATOM 0 HB3 LYS A 34 15.290 -0.320 5.549 1.00 0.42 H new ATOM 0 HG2 LYS A 34 12.862 -0.205 5.077 1.00 0.44 H new ATOM 0 HG3 LYS A 34 13.014 -1.525 3.934 1.00 0.44 H new ATOM 0 HD2 LYS A 34 13.666 -1.683 6.904 1.00 0.59 H new ATOM 0 HD3 LYS A 34 12.207 -2.296 6.152 1.00 0.59 H new ATOM 0 HE2 LYS A 34 13.328 -4.048 5.065 1.00 0.66 H new ATOM 0 HE3 LYS A 34 14.875 -3.225 5.101 1.00 0.66 H new ATOM 0 HZ1 LYS A 34 14.676 -5.113 6.674 1.00 1.25 H new ATOM 0 HZ2 LYS A 34 15.089 -3.648 7.426 1.00 1.25 H new ATOM 0 HZ3 LYS A 34 13.503 -4.242 7.537 1.00 1.25 H new ATOM 214 N HIS A 35 17.267 -0.304 2.508 1.00 0.40 N ATOM 215 CA HIS A 35 18.708 -0.173 2.280 1.00 0.41 C ATOM 216 C HIS A 35 19.021 0.912 1.256 1.00 0.40 C ATOM 217 O HIS A 35 20.112 0.943 0.687 1.00 0.41 O ATOM 218 CB HIS A 35 19.288 -1.514 1.819 1.00 0.44 C ATOM 219 CG HIS A 35 20.231 -2.124 2.806 1.00 0.61 C ATOM 220 ND1 HIS A 35 21.585 -2.253 2.581 1.00 1.14 N ATOM 221 CD2 HIS A 35 20.005 -2.645 4.036 1.00 1.10 C ATOM 222 CE1 HIS A 35 22.152 -2.829 3.628 1.00 1.14 C ATOM 223 NE2 HIS A 35 21.214 -3.076 4.525 1.00 1.04 N ATOM 0 H HIS A 35 16.827 -1.060 1.983 1.00 0.40 H new ATOM 0 HA HIS A 35 19.170 0.119 3.223 1.00 0.41 H new ATOM 0 HB2 HIS A 35 18.470 -2.210 1.631 1.00 0.44 H new ATOM 0 HB3 HIS A 35 19.808 -1.370 0.872 1.00 0.44 H new ATOM 0 HD2 HIS A 35 19.051 -2.709 4.539 1.00 1.10 H new ATOM 0 HE1 HIS A 35 23.202 -3.058 3.732 1.00 1.14 H new ATOM 0 HE2 HIS A 35 21.363 -3.515 5.433 1.00 1.04 H new ATOM 231 N VAL A 36 18.057 1.788 1.023 1.00 0.40 N ATOM 232 CA VAL A 36 18.205 2.868 0.062 1.00 0.42 C ATOM 233 C VAL A 36 17.360 4.069 0.474 1.00 0.41 C ATOM 234 O VAL A 36 17.730 5.215 0.228 1.00 0.54 O ATOM 235 CB VAL A 36 17.760 2.403 -1.335 1.00 0.45 C ATOM 236 CG1 VAL A 36 18.758 1.422 -1.933 1.00 0.62 C ATOM 237 CG2 VAL A 36 16.378 1.776 -1.258 1.00 0.49 C ATOM 0 H VAL A 36 17.152 1.770 1.494 1.00 0.40 H new ATOM 0 HA VAL A 36 19.256 3.155 0.036 1.00 0.42 H new ATOM 0 HB VAL A 36 17.719 3.275 -1.988 1.00 0.45 H new ATOM 0 HG11 VAL A 36 18.416 1.111 -2.920 1.00 0.62 H new ATOM 0 HG12 VAL A 36 19.732 1.903 -2.021 1.00 0.62 H new ATOM 0 HG13 VAL A 36 18.841 0.548 -1.287 1.00 0.62 H new ATOM 0 HG21 VAL A 36 16.071 1.450 -2.252 1.00 0.49 H new ATOM 0 HG22 VAL A 36 16.405 0.918 -0.586 1.00 0.49 H new ATOM 0 HG23 VAL A 36 15.666 2.510 -0.881 1.00 0.49 H new ATOM 247 N LEU A 37 16.213 3.792 1.096 1.00 0.29 N ATOM 248 CA LEU A 37 15.307 4.845 1.531 1.00 0.27 C ATOM 249 C LEU A 37 15.625 5.334 2.930 1.00 0.33 C ATOM 250 O LEU A 37 15.755 4.554 3.874 1.00 0.43 O ATOM 251 CB LEU A 37 13.858 4.370 1.491 1.00 0.27 C ATOM 252 CG LEU A 37 12.977 5.001 0.410 1.00 0.24 C ATOM 253 CD1 LEU A 37 13.797 5.390 -0.809 1.00 0.25 C ATOM 254 CD2 LEU A 37 11.857 4.046 0.035 1.00 0.31 C ATOM 0 H LEU A 37 15.893 2.847 1.308 1.00 0.29 H new ATOM 0 HA LEU A 37 15.444 5.673 0.836 1.00 0.27 H new ATOM 0 HB2 LEU A 37 13.854 3.289 1.350 1.00 0.27 H new ATOM 0 HB3 LEU A 37 13.405 4.567 2.462 1.00 0.27 H new ATOM 0 HG LEU A 37 12.537 5.915 0.809 1.00 0.24 H new ATOM 0 HD11 LEU A 37 13.144 5.835 -1.560 1.00 0.25 H new ATOM 0 HD12 LEU A 37 14.561 6.111 -0.519 1.00 0.25 H new ATOM 0 HD13 LEU A 37 14.275 4.503 -1.224 1.00 0.25 H new ATOM 0 HD21 LEU A 37 11.233 4.501 -0.735 1.00 0.31 H new ATOM 0 HD22 LEU A 37 12.283 3.117 -0.345 1.00 0.31 H new ATOM 0 HD23 LEU A 37 11.250 3.834 0.915 1.00 0.31 H new ATOM 266 N PRO A 38 15.733 6.653 3.063 1.00 0.33 N ATOM 267 CA PRO A 38 16.017 7.319 4.335 1.00 0.43 C ATOM 268 C PRO A 38 14.939 7.030 5.381 1.00 0.48 C ATOM 269 O PRO A 38 14.095 6.155 5.186 1.00 1.04 O ATOM 270 CB PRO A 38 16.037 8.802 3.940 1.00 0.44 C ATOM 271 CG PRO A 38 16.342 8.779 2.481 1.00 0.40 C ATOM 272 CD PRO A 38 15.578 7.617 1.966 1.00 0.29 C ATOM 0 HA PRO A 38 16.944 6.982 4.798 1.00 0.43 H new ATOM 0 HB2 PRO A 38 15.079 9.282 4.141 1.00 0.44 H new ATOM 0 HB3 PRO A 38 16.793 9.354 4.498 1.00 0.44 H new ATOM 0 HG2 PRO A 38 16.034 9.705 1.995 1.00 0.40 H new ATOM 0 HG3 PRO A 38 17.411 8.665 2.300 1.00 0.40 H new ATOM 0 HD2 PRO A 38 14.532 7.863 1.781 1.00 0.29 H new ATOM 0 HD3 PRO A 38 15.987 7.240 1.028 1.00 0.29 H new ATOM 280 N SER A 39 14.985 7.751 6.497 1.00 0.48 N ATOM 281 CA SER A 39 14.023 7.549 7.583 1.00 0.47 C ATOM 282 C SER A 39 12.576 7.787 7.141 1.00 0.40 C ATOM 283 O SER A 39 11.826 6.838 6.914 1.00 0.47 O ATOM 284 CB SER A 39 14.360 8.461 8.769 1.00 0.55 C ATOM 285 OG SER A 39 13.414 8.305 9.815 1.00 1.37 O ATOM 0 H SER A 39 15.676 8.480 6.676 1.00 0.48 H new ATOM 0 HA SER A 39 14.103 6.505 7.885 1.00 0.47 H new ATOM 0 HB2 SER A 39 15.358 8.228 9.139 1.00 0.55 H new ATOM 0 HB3 SER A 39 14.376 9.500 8.440 1.00 0.55 H new ATOM 0 HG SER A 39 13.651 8.895 10.561 1.00 1.37 H new ATOM 291 N HIS A 40 12.181 9.054 7.056 1.00 0.30 N ATOM 292 CA HIS A 40 10.816 9.419 6.682 1.00 0.27 C ATOM 293 C HIS A 40 10.379 8.824 5.342 1.00 0.21 C ATOM 294 O HIS A 40 9.189 8.794 5.049 1.00 0.23 O ATOM 295 CB HIS A 40 10.671 10.938 6.643 1.00 0.29 C ATOM 296 CG HIS A 40 9.248 11.394 6.564 1.00 0.33 C ATOM 297 ND1 HIS A 40 8.176 10.593 6.899 1.00 1.01 N ATOM 298 CD2 HIS A 40 8.725 12.577 6.181 1.00 0.87 C ATOM 299 CE1 HIS A 40 7.053 11.268 6.725 1.00 0.79 C ATOM 300 NE2 HIS A 40 7.360 12.476 6.290 1.00 0.57 N ATOM 0 H HIS A 40 12.790 9.850 7.242 1.00 0.30 H new ATOM 0 HA HIS A 40 10.162 8.997 7.445 1.00 0.27 H new ATOM 0 HB2 HIS A 40 11.133 11.363 7.534 1.00 0.29 H new ATOM 0 HB3 HIS A 40 11.218 11.327 5.784 1.00 0.29 H new ATOM 0 HD2 HIS A 40 9.278 13.444 5.850 1.00 0.87 H new ATOM 0 HE1 HIS A 40 6.056 10.895 6.907 1.00 0.79 H new ATOM 0 HE2 HIS A 40 6.692 13.215 6.070 1.00 0.57 H new ATOM 308 N ALA A 41 11.319 8.354 4.530 1.00 0.17 N ATOM 309 CA ALA A 41 10.971 7.777 3.233 1.00 0.15 C ATOM 310 C ALA A 41 10.262 6.444 3.396 1.00 0.16 C ATOM 311 O ALA A 41 9.328 6.131 2.661 1.00 0.32 O ATOM 312 CB ALA A 41 12.206 7.603 2.374 1.00 0.22 C ATOM 0 H ALA A 41 12.317 8.360 4.741 1.00 0.17 H new ATOM 0 HA ALA A 41 10.291 8.470 2.738 1.00 0.15 H new ATOM 0 HB1 ALA A 41 11.923 7.172 1.413 1.00 0.22 H new ATOM 0 HB2 ALA A 41 12.676 8.573 2.212 1.00 0.22 H new ATOM 0 HB3 ALA A 41 12.908 6.939 2.877 1.00 0.22 H new ATOM 318 N GLN A 42 10.702 5.664 4.367 1.00 0.10 N ATOM 319 CA GLN A 42 10.095 4.372 4.625 1.00 0.10 C ATOM 320 C GLN A 42 8.667 4.565 5.116 1.00 0.13 C ATOM 321 O GLN A 42 7.752 3.866 4.682 1.00 0.16 O ATOM 322 CB GLN A 42 10.937 3.599 5.632 1.00 0.13 C ATOM 323 CG GLN A 42 12.388 3.509 5.213 1.00 0.14 C ATOM 324 CD GLN A 42 13.338 3.565 6.391 1.00 0.16 C ATOM 325 OE1 GLN A 42 12.935 3.351 7.535 1.00 0.19 O ATOM 326 NE2 GLN A 42 14.606 3.852 6.121 1.00 0.23 N ATOM 0 H GLN A 42 11.475 5.902 4.988 1.00 0.10 H new ATOM 0 HA GLN A 42 10.057 3.789 3.705 1.00 0.10 H new ATOM 0 HB2 GLN A 42 10.871 4.083 6.606 1.00 0.13 H new ATOM 0 HB3 GLN A 42 10.531 2.594 5.748 1.00 0.13 H new ATOM 0 HG2 GLN A 42 12.548 2.580 4.666 1.00 0.14 H new ATOM 0 HG3 GLN A 42 12.616 4.325 4.528 1.00 0.14 H new ATOM 0 HE21 GLN A 42 14.896 4.022 5.158 1.00 0.23 H new ATOM 0 HE22 GLN A 42 15.290 3.902 6.876 1.00 0.23 H new ATOM 335 N ASP A 43 8.470 5.560 5.982 1.00 0.16 N ATOM 336 CA ASP A 43 7.134 5.877 6.471 1.00 0.22 C ATOM 337 C ASP A 43 6.278 6.241 5.270 1.00 0.20 C ATOM 338 O ASP A 43 5.154 5.771 5.111 1.00 0.23 O ATOM 339 CB ASP A 43 7.183 7.044 7.465 1.00 0.27 C ATOM 340 CG ASP A 43 6.093 6.954 8.517 1.00 0.32 C ATOM 341 OD1 ASP A 43 4.935 7.302 8.204 1.00 0.61 O ATOM 342 OD2 ASP A 43 6.399 6.538 9.654 1.00 0.59 O ATOM 0 H ASP A 43 9.212 6.153 6.354 1.00 0.16 H new ATOM 0 HA ASP A 43 6.712 5.019 6.995 1.00 0.22 H new ATOM 0 HB2 ASP A 43 8.157 7.060 7.955 1.00 0.27 H new ATOM 0 HB3 ASP A 43 7.084 7.984 6.923 1.00 0.27 H new ATOM 347 N ILE A 44 6.865 7.056 4.402 1.00 0.18 N ATOM 348 CA ILE A 44 6.217 7.470 3.170 1.00 0.16 C ATOM 349 C ILE A 44 5.863 6.240 2.354 1.00 0.14 C ATOM 350 O ILE A 44 4.708 6.021 1.985 1.00 0.16 O ATOM 351 CB ILE A 44 7.155 8.379 2.353 1.00 0.16 C ATOM 352 CG1 ILE A 44 7.325 9.708 3.074 1.00 0.22 C ATOM 353 CG2 ILE A 44 6.614 8.607 0.943 1.00 0.17 C ATOM 354 CD1 ILE A 44 8.208 10.682 2.335 1.00 0.26 C ATOM 0 H ILE A 44 7.799 7.445 4.534 1.00 0.18 H new ATOM 0 HA ILE A 44 5.312 8.027 3.412 1.00 0.16 H new ATOM 0 HB ILE A 44 8.123 7.887 2.261 1.00 0.16 H new ATOM 0 HG12 ILE A 44 6.344 10.160 3.224 1.00 0.22 H new ATOM 0 HG13 ILE A 44 7.746 9.525 4.063 1.00 0.22 H new ATOM 0 HG21 ILE A 44 7.298 9.252 0.391 1.00 0.17 H new ATOM 0 HG22 ILE A 44 6.523 7.650 0.429 1.00 0.17 H new ATOM 0 HG23 ILE A 44 5.635 9.082 1.001 1.00 0.17 H new ATOM 0 HD11 ILE A 44 8.286 11.608 2.905 1.00 0.26 H new ATOM 0 HD12 ILE A 44 9.200 10.250 2.208 1.00 0.26 H new ATOM 0 HD13 ILE A 44 7.777 10.894 1.357 1.00 0.26 H new ATOM 366 N TYR A 45 6.879 5.433 2.102 1.00 0.17 N ATOM 367 CA TYR A 45 6.726 4.197 1.352 1.00 0.15 C ATOM 368 C TYR A 45 5.606 3.342 1.936 1.00 0.14 C ATOM 369 O TYR A 45 4.562 3.156 1.317 1.00 0.19 O ATOM 370 CB TYR A 45 8.038 3.418 1.377 1.00 0.16 C ATOM 371 CG TYR A 45 8.093 2.273 0.391 1.00 0.18 C ATOM 372 CD1 TYR A 45 7.207 1.207 0.475 1.00 0.22 C ATOM 373 CD2 TYR A 45 9.034 2.264 -0.625 1.00 0.23 C ATOM 374 CE1 TYR A 45 7.259 0.163 -0.429 1.00 0.27 C ATOM 375 CE2 TYR A 45 9.095 1.226 -1.532 1.00 0.27 C ATOM 376 CZ TYR A 45 8.205 0.178 -1.430 1.00 0.27 C ATOM 377 OH TYR A 45 8.258 -0.856 -2.336 1.00 0.34 O ATOM 0 H TYR A 45 7.834 5.616 2.411 1.00 0.17 H new ATOM 0 HA TYR A 45 6.467 4.445 0.323 1.00 0.15 H new ATOM 0 HB2 TYR A 45 8.859 4.103 1.168 1.00 0.16 H new ATOM 0 HB3 TYR A 45 8.197 3.027 2.382 1.00 0.16 H new ATOM 0 HD1 TYR A 45 6.465 1.194 1.260 1.00 0.22 H new ATOM 0 HD2 TYR A 45 9.732 3.084 -0.709 1.00 0.23 H new ATOM 0 HE1 TYR A 45 6.563 -0.659 -0.351 1.00 0.27 H new ATOM 0 HE2 TYR A 45 9.836 1.234 -2.318 1.00 0.27 H new ATOM 0 HH TYR A 45 8.606 -0.525 -3.190 1.00 0.34 H new ATOM 387 N LYS A 46 5.837 2.824 3.136 1.00 0.15 N ATOM 388 CA LYS A 46 4.863 1.979 3.814 1.00 0.18 C ATOM 389 C LYS A 46 3.469 2.610 3.843 1.00 0.17 C ATOM 390 O LYS A 46 2.488 1.985 3.437 1.00 0.21 O ATOM 391 CB LYS A 46 5.329 1.698 5.243 1.00 0.20 C ATOM 392 CG LYS A 46 4.274 1.020 6.097 1.00 0.23 C ATOM 393 CD LYS A 46 4.788 0.726 7.492 1.00 0.27 C ATOM 394 CE LYS A 46 3.676 0.846 8.518 1.00 0.35 C ATOM 395 NZ LYS A 46 2.513 -0.027 8.190 1.00 1.20 N ATOM 0 H LYS A 46 6.697 2.976 3.663 1.00 0.15 H new ATOM 0 HA LYS A 46 4.791 1.048 3.252 1.00 0.18 H new ATOM 0 HB2 LYS A 46 6.219 1.069 5.210 1.00 0.20 H new ATOM 0 HB3 LYS A 46 5.619 2.637 5.714 1.00 0.20 H new ATOM 0 HG2 LYS A 46 3.392 1.657 6.161 1.00 0.23 H new ATOM 0 HG3 LYS A 46 3.962 0.091 5.621 1.00 0.23 H new ATOM 0 HD2 LYS A 46 5.210 -0.278 7.524 1.00 0.27 H new ATOM 0 HD3 LYS A 46 5.593 1.418 7.740 1.00 0.27 H new ATOM 0 HE2 LYS A 46 4.062 0.581 9.502 1.00 0.35 H new ATOM 0 HE3 LYS A 46 3.346 1.883 8.574 1.00 0.35 H new ATOM 0 HZ1 LYS A 46 1.723 0.559 7.852 1.00 1.20 H new ATOM 0 HZ2 LYS A 46 2.785 -0.703 7.448 1.00 1.20 H new ATOM 0 HZ3 LYS A 46 2.218 -0.547 9.041 1.00 1.20 H new ATOM 409 N GLU A 47 3.383 3.841 4.334 1.00 0.14 N ATOM 410 CA GLU A 47 2.101 4.536 4.422 1.00 0.14 C ATOM 411 C GLU A 47 1.442 4.643 3.057 1.00 0.13 C ATOM 412 O GLU A 47 0.223 4.521 2.934 1.00 0.20 O ATOM 413 CB GLU A 47 2.279 5.928 5.018 1.00 0.15 C ATOM 414 CG GLU A 47 2.653 5.914 6.490 1.00 0.16 C ATOM 415 CD GLU A 47 1.979 7.023 7.276 1.00 1.17 C ATOM 416 OE1 GLU A 47 2.501 8.157 7.270 1.00 1.67 O ATOM 417 OE2 GLU A 47 0.930 6.757 7.898 1.00 2.04 O ATOM 0 H GLU A 47 4.180 4.377 4.676 1.00 0.14 H new ATOM 0 HA GLU A 47 1.455 3.951 5.076 1.00 0.14 H new ATOM 0 HB2 GLU A 47 3.051 6.457 4.460 1.00 0.15 H new ATOM 0 HB3 GLU A 47 1.353 6.490 4.892 1.00 0.15 H new ATOM 0 HG2 GLU A 47 2.380 4.951 6.921 1.00 0.16 H new ATOM 0 HG3 GLU A 47 3.734 6.011 6.587 1.00 0.16 H new ATOM 424 N ALA A 48 2.253 4.856 2.034 1.00 0.12 N ATOM 425 CA ALA A 48 1.741 4.961 0.677 1.00 0.13 C ATOM 426 C ALA A 48 1.327 3.585 0.179 1.00 0.13 C ATOM 427 O ALA A 48 0.285 3.429 -0.459 1.00 0.21 O ATOM 428 CB ALA A 48 2.773 5.605 -0.236 1.00 0.17 C ATOM 0 H ALA A 48 3.264 4.959 2.116 1.00 0.12 H new ATOM 0 HA ALA A 48 0.861 5.604 0.671 1.00 0.13 H new ATOM 0 HB1 ALA A 48 2.371 5.675 -1.247 1.00 0.17 H new ATOM 0 HB2 ALA A 48 3.010 6.604 0.130 1.00 0.17 H new ATOM 0 HB3 ALA A 48 3.679 4.998 -0.246 1.00 0.17 H new ATOM 434 N PHE A 49 2.139 2.587 0.501 1.00 0.11 N ATOM 435 CA PHE A 49 1.850 1.215 0.117 1.00 0.11 C ATOM 436 C PHE A 49 0.523 0.773 0.727 1.00 0.12 C ATOM 437 O PHE A 49 -0.362 0.280 0.026 1.00 0.17 O ATOM 438 CB PHE A 49 2.978 0.288 0.579 1.00 0.13 C ATOM 439 CG PHE A 49 2.723 -1.163 0.283 1.00 0.17 C ATOM 440 CD1 PHE A 49 1.741 -1.874 0.958 1.00 0.24 C ATOM 441 CD2 PHE A 49 3.451 -1.807 -0.701 1.00 0.21 C ATOM 442 CE1 PHE A 49 1.494 -3.201 0.651 1.00 0.31 C ATOM 443 CE2 PHE A 49 3.213 -3.130 -1.005 1.00 0.26 C ATOM 444 CZ PHE A 49 2.233 -3.830 -0.332 1.00 0.30 C ATOM 0 H PHE A 49 3.004 2.704 1.028 1.00 0.11 H new ATOM 0 HA PHE A 49 1.776 1.160 -0.969 1.00 0.11 H new ATOM 0 HB2 PHE A 49 3.907 0.591 0.096 1.00 0.13 H new ATOM 0 HB3 PHE A 49 3.122 0.411 1.652 1.00 0.13 H new ATOM 0 HD1 PHE A 49 1.164 -1.387 1.730 1.00 0.24 H new ATOM 0 HD2 PHE A 49 4.216 -1.266 -1.238 1.00 0.21 H new ATOM 0 HE1 PHE A 49 0.724 -3.744 1.179 1.00 0.31 H new ATOM 0 HE2 PHE A 49 3.795 -3.620 -1.772 1.00 0.26 H new ATOM 0 HZ PHE A 49 2.044 -4.866 -0.573 1.00 0.30 H new ATOM 454 N ASN A 50 0.390 0.960 2.041 1.00 0.16 N ATOM 455 CA ASN A 50 -0.826 0.588 2.752 1.00 0.21 C ATOM 456 C ASN A 50 -2.053 1.197 2.083 1.00 0.22 C ATOM 457 O ASN A 50 -3.069 0.528 1.895 1.00 0.28 O ATOM 458 CB ASN A 50 -0.744 1.051 4.206 1.00 0.27 C ATOM 459 CG ASN A 50 -0.225 -0.033 5.130 1.00 0.31 C ATOM 460 OD1 ASN A 50 -0.847 -0.347 6.146 1.00 0.89 O ATOM 461 ND2 ASN A 50 0.917 -0.612 4.781 1.00 0.61 N ATOM 0 H ASN A 50 1.114 1.368 2.633 1.00 0.16 H new ATOM 0 HA ASN A 50 -0.921 -0.498 2.724 1.00 0.21 H new ATOM 0 HB2 ASN A 50 -0.092 1.922 4.271 1.00 0.27 H new ATOM 0 HB3 ASN A 50 -1.732 1.367 4.540 1.00 0.27 H new ATOM 0 HD21 ASN A 50 1.314 -1.349 5.363 1.00 0.61 H new ATOM 0 HD22 ASN A 50 1.398 -0.320 3.930 1.00 0.61 H new ATOM 468 N SER A 51 -1.952 2.473 1.719 1.00 0.23 N ATOM 469 CA SER A 51 -3.053 3.168 1.064 1.00 0.27 C ATOM 470 C SER A 51 -3.481 2.423 -0.193 1.00 0.25 C ATOM 471 O SER A 51 -4.664 2.164 -0.404 1.00 0.29 O ATOM 472 CB SER A 51 -2.650 4.599 0.706 1.00 0.32 C ATOM 473 OG SER A 51 -3.752 5.481 0.812 1.00 0.45 O ATOM 0 H SER A 51 -1.120 3.044 1.867 1.00 0.23 H new ATOM 0 HA SER A 51 -3.893 3.203 1.758 1.00 0.27 H new ATOM 0 HB2 SER A 51 -1.850 4.931 1.368 1.00 0.32 H new ATOM 0 HB3 SER A 51 -2.255 4.626 -0.310 1.00 0.32 H new ATOM 0 HG SER A 51 -3.467 6.390 0.580 1.00 0.45 H new ATOM 479 N ALA A 52 -2.502 2.059 -1.014 1.00 0.23 N ATOM 480 CA ALA A 52 -2.777 1.321 -2.238 1.00 0.23 C ATOM 481 C ALA A 52 -3.238 -0.091 -1.909 1.00 0.24 C ATOM 482 O ALA A 52 -4.031 -0.685 -2.639 1.00 0.31 O ATOM 483 CB ALA A 52 -1.550 1.283 -3.126 1.00 0.21 C ATOM 0 H ALA A 52 -1.515 2.263 -0.854 1.00 0.23 H new ATOM 0 HA ALA A 52 -3.574 1.832 -2.778 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.776 0.727 -4.036 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.257 2.300 -3.386 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.732 0.794 -2.596 1.00 0.21 H new ATOM 489 N TRP A 53 -2.747 -0.612 -0.792 1.00 0.21 N ATOM 490 CA TRP A 53 -3.115 -1.945 -0.343 1.00 0.25 C ATOM 491 C TRP A 53 -4.592 -1.955 0.039 1.00 0.30 C ATOM 492 O TRP A 53 -5.362 -2.784 -0.447 1.00 0.34 O ATOM 493 CB TRP A 53 -2.213 -2.348 0.835 1.00 0.27 C ATOM 494 CG TRP A 53 -2.759 -3.436 1.711 1.00 0.36 C ATOM 495 CD1 TRP A 53 -2.502 -4.774 1.619 1.00 0.46 C ATOM 496 CD2 TRP A 53 -3.638 -3.274 2.828 1.00 0.44 C ATOM 497 NE1 TRP A 53 -3.165 -5.452 2.610 1.00 0.55 N ATOM 498 CE2 TRP A 53 -3.874 -4.553 3.364 1.00 0.53 C ATOM 499 CE3 TRP A 53 -4.250 -2.168 3.426 1.00 0.51 C ATOM 500 CZ2 TRP A 53 -4.695 -4.757 4.470 1.00 0.63 C ATOM 501 CZ3 TRP A 53 -5.065 -2.372 4.523 1.00 0.63 C ATOM 502 CH2 TRP A 53 -5.281 -3.658 5.036 1.00 0.67 C ATOM 0 H TRP A 53 -2.090 -0.128 -0.179 1.00 0.21 H new ATOM 0 HA TRP A 53 -2.971 -2.675 -1.140 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -1.249 -2.670 0.441 1.00 0.27 H new ATOM 0 HB3 TRP A 53 -2.028 -1.467 1.449 1.00 0.27 H new ATOM 0 HD1 TRP A 53 -1.868 -5.232 0.874 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -3.135 -6.460 2.761 1.00 0.55 H new ATOM 0 HE3 TRP A 53 -4.089 -1.173 3.038 1.00 0.51 H new ATOM 0 HZ2 TRP A 53 -4.863 -5.747 4.867 1.00 0.63 H new ATOM 0 HZ3 TRP A 53 -5.544 -1.526 4.993 1.00 0.63 H new ATOM 0 HH2 TRP A 53 -5.923 -3.784 5.895 1.00 0.67 H new ATOM 513 N ASP A 54 -4.986 -1.017 0.896 1.00 0.33 N ATOM 514 CA ASP A 54 -6.376 -0.906 1.324 1.00 0.40 C ATOM 515 C ASP A 54 -7.247 -0.400 0.178 1.00 0.40 C ATOM 516 O ASP A 54 -8.434 -0.717 0.101 1.00 0.48 O ATOM 517 CB ASP A 54 -6.495 0.043 2.517 1.00 0.43 C ATOM 518 CG ASP A 54 -7.915 0.135 3.045 1.00 0.49 C ATOM 519 OD1 ASP A 54 -8.718 -0.776 2.747 1.00 0.86 O ATOM 520 OD2 ASP A 54 -8.224 1.116 3.753 1.00 1.17 O ATOM 0 H ASP A 54 -4.362 -0.323 1.307 1.00 0.33 H new ATOM 0 HA ASP A 54 -6.720 -1.896 1.623 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -5.835 -0.297 3.315 1.00 0.43 H new ATOM 0 HB3 ASP A 54 -6.155 1.036 2.223 1.00 0.43 H new ATOM 525 N GLN A 55 -6.644 0.380 -0.714 1.00 0.38 N ATOM 526 CA GLN A 55 -7.364 0.921 -1.859 1.00 0.45 C ATOM 527 C GLN A 55 -7.731 -0.197 -2.817 1.00 0.49 C ATOM 528 O GLN A 55 -8.704 -0.101 -3.566 1.00 0.59 O ATOM 529 CB GLN A 55 -6.519 1.975 -2.579 1.00 0.49 C ATOM 530 CG GLN A 55 -6.700 3.378 -2.028 1.00 0.52 C ATOM 531 CD GLN A 55 -6.712 4.438 -3.113 1.00 0.59 C ATOM 532 OE1 GLN A 55 -7.383 4.290 -4.134 1.00 0.68 O ATOM 533 NE2 GLN A 55 -5.965 5.516 -2.898 1.00 0.59 N ATOM 0 H GLN A 55 -5.662 0.650 -0.665 1.00 0.38 H new ATOM 0 HA GLN A 55 -8.277 1.397 -1.501 1.00 0.45 H new ATOM 0 HB2 GLN A 55 -5.467 1.698 -2.506 1.00 0.49 H new ATOM 0 HB3 GLN A 55 -6.776 1.973 -3.638 1.00 0.49 H new ATOM 0 HG2 GLN A 55 -7.634 3.426 -1.469 1.00 0.52 H new ATOM 0 HG3 GLN A 55 -5.896 3.594 -1.324 1.00 0.52 H new ATOM 0 HE21 GLN A 55 -5.424 5.598 -2.037 1.00 0.59 H new ATOM 0 HE22 GLN A 55 -5.933 6.261 -3.594 1.00 0.59 H new ATOM 542 N TYR A 56 -6.944 -1.256 -2.781 1.00 0.44 N ATOM 543 CA TYR A 56 -7.163 -2.416 -3.632 1.00 0.52 C ATOM 544 C TYR A 56 -8.394 -3.204 -3.181 1.00 0.68 C ATOM 545 O TYR A 56 -8.326 -4.408 -2.947 1.00 0.79 O ATOM 546 CB TYR A 56 -5.923 -3.312 -3.617 1.00 0.49 C ATOM 547 CG TYR A 56 -5.412 -3.656 -4.989 1.00 0.35 C ATOM 548 CD1 TYR A 56 -4.692 -2.734 -5.729 1.00 0.29 C ATOM 549 CD2 TYR A 56 -5.646 -4.908 -5.539 1.00 0.38 C ATOM 550 CE1 TYR A 56 -4.215 -3.046 -6.983 1.00 0.26 C ATOM 551 CE2 TYR A 56 -5.175 -5.229 -6.794 1.00 0.34 C ATOM 552 CZ TYR A 56 -4.458 -4.295 -7.515 1.00 0.26 C ATOM 553 OH TYR A 56 -3.985 -4.609 -8.767 1.00 0.35 O ATOM 0 H TYR A 56 -6.136 -1.339 -2.164 1.00 0.44 H new ATOM 0 HA TYR A 56 -7.342 -2.069 -4.650 1.00 0.52 H new ATOM 0 HB2 TYR A 56 -5.131 -2.813 -3.058 1.00 0.49 H new ATOM 0 HB3 TYR A 56 -6.157 -4.234 -3.084 1.00 0.49 H new ATOM 0 HD1 TYR A 56 -4.501 -1.754 -5.317 1.00 0.29 H new ATOM 0 HD2 TYR A 56 -6.205 -5.641 -4.976 1.00 0.38 H new ATOM 0 HE1 TYR A 56 -3.653 -2.316 -7.547 1.00 0.26 H new ATOM 0 HE2 TYR A 56 -5.366 -6.207 -7.211 1.00 0.34 H new ATOM 0 HH TYR A 56 -3.945 -3.797 -9.315 1.00 0.35 H new ATOM 563 N LYS A 57 -9.525 -2.516 -3.071 1.00 0.76 N ATOM 564 CA LYS A 57 -10.775 -3.152 -2.658 1.00 0.95 C ATOM 565 C LYS A 57 -11.436 -3.868 -3.833 1.00 1.08 C ATOM 566 O LYS A 57 -12.487 -4.492 -3.682 1.00 1.26 O ATOM 567 CB LYS A 57 -11.735 -2.111 -2.080 1.00 1.01 C ATOM 568 CG LYS A 57 -12.080 -2.346 -0.618 1.00 0.94 C ATOM 569 CD LYS A 57 -13.387 -3.108 -0.471 1.00 1.21 C ATOM 570 CE LYS A 57 -14.573 -2.295 -0.968 1.00 2.33 C ATOM 571 NZ LYS A 57 -14.532 -0.888 -0.484 1.00 3.35 N ATOM 0 H LYS A 57 -9.604 -1.517 -3.262 1.00 0.76 H new ATOM 0 HA LYS A 57 -10.541 -3.889 -1.890 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -11.291 -1.121 -2.185 1.00 1.01 H new ATOM 0 HB3 LYS A 57 -12.654 -2.112 -2.666 1.00 1.01 H new ATOM 0 HG2 LYS A 57 -11.276 -2.904 -0.138 1.00 0.94 H new ATOM 0 HG3 LYS A 57 -12.155 -1.389 -0.102 1.00 0.94 H new ATOM 0 HD2 LYS A 57 -13.328 -4.043 -1.029 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -13.539 -3.370 0.576 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -14.585 -2.302 -2.058 1.00 2.33 H new ATOM 0 HE3 LYS A 57 -15.499 -2.765 -0.636 1.00 2.33 H new ATOM 0 HZ1 LYS A 57 -15.462 -0.445 -0.625 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 -14.292 -0.876 0.528 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 -13.813 -0.358 -1.017 1.00 3.35 H new ATOM 718 N ALA A 66 -1.187 -10.990 -5.105 1.00 0.47 N ATOM 719 CA ALA A 66 0.156 -10.468 -5.333 1.00 0.50 C ATOM 720 C ALA A 66 0.092 -9.150 -6.088 1.00 0.44 C ATOM 721 O ALA A 66 0.819 -8.208 -5.776 1.00 0.45 O ATOM 722 CB ALA A 66 1.004 -11.465 -6.098 1.00 0.63 C ATOM 0 HA ALA A 66 0.620 -10.297 -4.361 1.00 0.50 H new ATOM 0 HB1 ALA A 66 2.000 -11.051 -6.255 1.00 0.63 H new ATOM 0 HB2 ALA A 66 1.081 -12.390 -5.527 1.00 0.63 H new ATOM 0 HB3 ALA A 66 0.541 -11.671 -7.063 1.00 0.63 H new ATOM 728 N SER A 67 -0.799 -9.082 -7.074 1.00 0.41 N ATOM 729 CA SER A 67 -0.974 -7.870 -7.860 1.00 0.40 C ATOM 730 C SER A 67 -1.225 -6.695 -6.934 1.00 0.32 C ATOM 731 O SER A 67 -0.637 -5.624 -7.087 1.00 0.36 O ATOM 732 CB SER A 67 -2.141 -8.031 -8.826 1.00 0.39 C ATOM 733 OG SER A 67 -2.133 -7.016 -9.816 1.00 0.44 O ATOM 0 H SER A 67 -1.409 -9.853 -7.345 1.00 0.41 H new ATOM 0 HA SER A 67 -0.068 -7.687 -8.437 1.00 0.40 H new ATOM 0 HB2 SER A 67 -2.088 -9.009 -9.304 1.00 0.39 H new ATOM 0 HB3 SER A 67 -3.080 -7.997 -8.274 1.00 0.39 H new ATOM 0 HG SER A 67 -2.693 -6.268 -9.522 1.00 0.44 H new ATOM 739 N ARG A 68 -2.082 -6.924 -5.946 1.00 0.28 N ATOM 740 CA ARG A 68 -2.387 -5.900 -4.957 1.00 0.24 C ATOM 741 C ARG A 68 -1.093 -5.437 -4.309 1.00 0.22 C ATOM 742 O ARG A 68 -0.697 -4.280 -4.439 1.00 0.29 O ATOM 743 CB ARG A 68 -3.342 -6.446 -3.893 1.00 0.25 C ATOM 744 CG ARG A 68 -3.597 -5.481 -2.746 1.00 0.40 C ATOM 745 CD ARG A 68 -2.621 -5.698 -1.593 1.00 0.67 C ATOM 746 NE ARG A 68 -2.834 -6.990 -0.942 1.00 1.77 N ATOM 747 CZ ARG A 68 -1.889 -7.665 -0.289 1.00 2.72 C ATOM 748 NH1 ARG A 68 -0.656 -7.182 -0.192 1.00 3.09 N ATOM 749 NH2 ARG A 68 -2.180 -8.831 0.272 1.00 3.77 N ATOM 0 H ARG A 68 -2.576 -7.806 -5.809 1.00 0.28 H new ATOM 0 HA ARG A 68 -2.874 -5.059 -5.450 1.00 0.24 H new ATOM 0 HB2 ARG A 68 -4.293 -6.695 -4.364 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -2.933 -7.373 -3.492 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -3.510 -4.456 -3.107 1.00 0.40 H new ATOM 0 HG3 ARG A 68 -4.618 -5.607 -2.386 1.00 0.40 H new ATOM 0 HD2 ARG A 68 -1.598 -5.642 -1.966 1.00 0.67 H new ATOM 0 HD3 ARG A 68 -2.737 -4.898 -0.862 1.00 0.67 H new ATOM 0 HE ARG A 68 -3.766 -7.401 -0.991 1.00 1.77 H new ATOM 0 HH11 ARG A 68 -0.424 -6.286 -0.620 1.00 3.09 H new ATOM 0 HH12 ARG A 68 0.059 -7.707 0.310 1.00 3.09 H new ATOM 0 HH21 ARG A 68 -3.125 -9.209 0.203 1.00 3.77 H new ATOM 0 HH22 ARG A 68 -1.459 -9.350 0.773 1.00 3.77 H new ATOM 763 N GLU A 69 -0.428 -6.369 -3.622 1.00 0.22 N ATOM 764 CA GLU A 69 0.837 -6.081 -2.968 1.00 0.21 C ATOM 765 C GLU A 69 1.760 -5.373 -3.945 1.00 0.19 C ATOM 766 O GLU A 69 2.330 -4.326 -3.638 1.00 0.22 O ATOM 767 CB GLU A 69 1.476 -7.381 -2.474 1.00 0.27 C ATOM 768 CG GLU A 69 2.782 -7.175 -1.740 1.00 0.28 C ATOM 769 CD GLU A 69 3.050 -8.260 -0.716 1.00 0.36 C ATOM 770 OE1 GLU A 69 2.620 -9.411 -0.945 1.00 0.43 O ATOM 771 OE2 GLU A 69 3.687 -7.961 0.316 1.00 0.79 O ATOM 0 H GLU A 69 -0.751 -7.330 -3.508 1.00 0.22 H new ATOM 0 HA GLU A 69 0.665 -5.433 -2.109 1.00 0.21 H new ATOM 0 HB2 GLU A 69 0.775 -7.892 -1.814 1.00 0.27 H new ATOM 0 HB3 GLU A 69 1.648 -8.038 -3.327 1.00 0.27 H new ATOM 0 HG2 GLU A 69 3.600 -7.150 -2.460 1.00 0.28 H new ATOM 0 HG3 GLU A 69 2.766 -6.206 -1.242 1.00 0.28 H new ATOM 778 N GLU A 70 1.874 -5.946 -5.140 1.00 0.27 N ATOM 779 CA GLU A 70 2.698 -5.379 -6.196 1.00 0.29 C ATOM 780 C GLU A 70 2.334 -3.920 -6.425 1.00 0.27 C ATOM 781 O GLU A 70 3.165 -3.027 -6.265 1.00 0.28 O ATOM 782 CB GLU A 70 2.507 -6.168 -7.489 1.00 0.35 C ATOM 783 CG GLU A 70 3.507 -5.801 -8.569 1.00 0.42 C ATOM 784 CD GLU A 70 4.605 -6.836 -8.721 1.00 0.64 C ATOM 785 OE1 GLU A 70 5.036 -7.399 -7.693 1.00 1.11 O ATOM 786 OE2 GLU A 70 5.035 -7.081 -9.867 1.00 1.27 O ATOM 0 H GLU A 70 1.400 -6.811 -5.400 1.00 0.27 H new ATOM 0 HA GLU A 70 3.743 -5.438 -5.891 1.00 0.29 H new ATOM 0 HB2 GLU A 70 2.591 -7.233 -7.272 1.00 0.35 H new ATOM 0 HB3 GLU A 70 1.498 -5.998 -7.865 1.00 0.35 H new ATOM 0 HG2 GLU A 70 2.985 -5.688 -9.519 1.00 0.42 H new ATOM 0 HG3 GLU A 70 3.953 -4.835 -8.333 1.00 0.42 H new ATOM 793 N THR A 71 1.084 -3.680 -6.802 1.00 0.27 N ATOM 794 CA THR A 71 0.620 -2.318 -7.050 1.00 0.27 C ATOM 795 C THR A 71 0.983 -1.420 -5.872 1.00 0.23 C ATOM 796 O THR A 71 1.535 -0.336 -6.052 1.00 0.28 O ATOM 797 CB THR A 71 -0.893 -2.283 -7.275 1.00 0.28 C ATOM 798 OG1 THR A 71 -1.240 -2.889 -8.510 1.00 0.35 O ATOM 799 CG2 THR A 71 -1.458 -0.875 -7.278 1.00 0.31 C ATOM 0 H THR A 71 0.378 -4.403 -6.942 1.00 0.27 H new ATOM 0 HA THR A 71 1.111 -1.954 -7.952 1.00 0.27 H new ATOM 0 HB THR A 71 -1.322 -2.834 -6.438 1.00 0.28 H new ATOM 0 HG1 THR A 71 -2.143 -3.264 -8.448 1.00 0.35 H new ATOM 0 HG21 THR A 71 -2.535 -0.915 -7.442 1.00 0.31 H new ATOM 0 HG22 THR A 71 -1.255 -0.399 -6.319 1.00 0.31 H new ATOM 0 HG23 THR A 71 -0.991 -0.297 -8.076 1.00 0.31 H new ATOM 807 N ALA A 72 0.687 -1.889 -4.663 1.00 0.16 N ATOM 808 CA ALA A 72 1.007 -1.129 -3.465 1.00 0.15 C ATOM 809 C ALA A 72 2.470 -0.709 -3.505 1.00 0.17 C ATOM 810 O ALA A 72 2.797 0.461 -3.312 1.00 0.23 O ATOM 811 CB ALA A 72 0.695 -1.948 -2.225 1.00 0.16 C ATOM 0 H ALA A 72 0.230 -2.784 -4.490 1.00 0.16 H new ATOM 0 HA ALA A 72 0.394 -0.229 -3.427 1.00 0.15 H new ATOM 0 HB1 ALA A 72 0.939 -1.368 -1.335 1.00 0.16 H new ATOM 0 HB2 ALA A 72 -0.365 -2.202 -2.214 1.00 0.16 H new ATOM 0 HB3 ALA A 72 1.287 -2.863 -2.235 1.00 0.16 H new ATOM 817 N HIS A 73 3.344 -1.668 -3.807 1.00 0.17 N ATOM 818 CA HIS A 73 4.767 -1.381 -3.929 1.00 0.23 C ATOM 819 C HIS A 73 4.948 -0.241 -4.928 1.00 0.25 C ATOM 820 O HIS A 73 5.652 0.733 -4.665 1.00 0.32 O ATOM 821 CB HIS A 73 5.538 -2.617 -4.404 1.00 0.27 C ATOM 822 CG HIS A 73 5.785 -3.638 -3.334 1.00 0.28 C ATOM 823 ND1 HIS A 73 6.821 -3.540 -2.428 1.00 0.33 N ATOM 824 CD2 HIS A 73 5.135 -4.790 -3.036 1.00 0.28 C ATOM 825 CE1 HIS A 73 6.801 -4.586 -1.623 1.00 0.35 C ATOM 826 NE2 HIS A 73 5.788 -5.359 -1.969 1.00 0.31 N ATOM 0 H HIS A 73 3.092 -2.643 -3.970 1.00 0.17 H new ATOM 0 HA HIS A 73 5.160 -1.096 -2.953 1.00 0.23 H new ATOM 0 HB2 HIS A 73 4.984 -3.086 -5.217 1.00 0.27 H new ATOM 0 HB3 HIS A 73 6.496 -2.298 -4.814 1.00 0.27 H new ATOM 0 HD1 HIS A 73 7.497 -2.778 -2.387 1.00 0.33 H new ATOM 0 HD2 HIS A 73 4.267 -5.186 -3.542 1.00 0.28 H new ATOM 0 HE1 HIS A 73 7.495 -4.777 -0.818 1.00 0.35 H new ATOM 834 N LYS A 74 4.282 -0.380 -6.076 1.00 0.23 N ATOM 835 CA LYS A 74 4.332 0.622 -7.135 1.00 0.28 C ATOM 836 C LYS A 74 3.882 1.984 -6.617 1.00 0.31 C ATOM 837 O LYS A 74 4.467 3.012 -6.952 1.00 0.54 O ATOM 838 CB LYS A 74 3.433 0.200 -8.301 1.00 0.37 C ATOM 839 CG LYS A 74 3.843 -1.112 -8.946 1.00 0.58 C ATOM 840 CD LYS A 74 2.851 -1.535 -10.015 1.00 0.64 C ATOM 841 CE LYS A 74 2.645 -3.037 -10.017 1.00 1.29 C ATOM 842 NZ LYS A 74 3.688 -3.728 -10.824 1.00 1.78 N ATOM 0 H LYS A 74 3.697 -1.186 -6.294 1.00 0.23 H new ATOM 0 HA LYS A 74 5.364 0.700 -7.478 1.00 0.28 H new ATOM 0 HB2 LYS A 74 2.407 0.114 -7.944 1.00 0.37 H new ATOM 0 HB3 LYS A 74 3.442 0.985 -9.057 1.00 0.37 H new ATOM 0 HG2 LYS A 74 4.834 -1.009 -9.387 1.00 0.58 H new ATOM 0 HG3 LYS A 74 3.913 -1.888 -8.184 1.00 0.58 H new ATOM 0 HD2 LYS A 74 1.897 -1.036 -9.846 1.00 0.64 H new ATOM 0 HD3 LYS A 74 3.209 -1.214 -10.993 1.00 0.64 H new ATOM 0 HE2 LYS A 74 2.669 -3.410 -8.993 1.00 1.29 H new ATOM 0 HE3 LYS A 74 1.659 -3.270 -10.418 1.00 1.29 H new ATOM 0 HZ1 LYS A 74 3.287 -4.590 -11.245 1.00 1.78 H new ATOM 0 HZ2 LYS A 74 4.018 -3.095 -11.580 1.00 1.78 H new ATOM 0 HZ3 LYS A 74 4.489 -3.983 -10.211 1.00 1.78 H new ATOM 856 N VAL A 75 2.836 1.974 -5.799 1.00 0.21 N ATOM 857 CA VAL A 75 2.300 3.201 -5.232 1.00 0.21 C ATOM 858 C VAL A 75 3.263 3.797 -4.218 1.00 0.21 C ATOM 859 O VAL A 75 3.677 4.950 -4.340 1.00 0.29 O ATOM 860 CB VAL A 75 0.943 2.947 -4.566 1.00 0.20 C ATOM 861 CG1 VAL A 75 0.344 4.242 -4.024 1.00 0.24 C ATOM 862 CG2 VAL A 75 0.015 2.290 -5.570 1.00 0.21 C ATOM 0 H VAL A 75 2.343 1.127 -5.515 1.00 0.21 H new ATOM 0 HA VAL A 75 2.166 3.910 -6.049 1.00 0.21 H new ATOM 0 HB VAL A 75 1.080 2.280 -3.715 1.00 0.20 H new ATOM 0 HG11 VAL A 75 -0.618 4.031 -3.557 1.00 0.24 H new ATOM 0 HG12 VAL A 75 1.019 4.674 -3.285 1.00 0.24 H new ATOM 0 HG13 VAL A 75 0.203 4.948 -4.842 1.00 0.24 H new ATOM 0 HG21 VAL A 75 -0.953 2.106 -5.104 1.00 0.21 H new ATOM 0 HG22 VAL A 75 -0.115 2.947 -6.430 1.00 0.21 H new ATOM 0 HG23 VAL A 75 0.446 1.344 -5.899 1.00 0.21 H new ATOM 872 N ALA A 76 3.612 3.012 -3.207 1.00 0.14 N ATOM 873 CA ALA A 76 4.523 3.473 -2.172 1.00 0.16 C ATOM 874 C ALA A 76 5.754 4.129 -2.778 1.00 0.19 C ATOM 875 O ALA A 76 6.181 5.197 -2.339 1.00 0.24 O ATOM 876 CB ALA A 76 4.916 2.331 -1.258 1.00 0.16 C ATOM 0 H ALA A 76 3.278 2.056 -3.083 1.00 0.14 H new ATOM 0 HA ALA A 76 4.004 4.224 -1.577 1.00 0.16 H new ATOM 0 HB1 ALA A 76 5.598 2.697 -0.491 1.00 0.16 H new ATOM 0 HB2 ALA A 76 4.024 1.920 -0.785 1.00 0.16 H new ATOM 0 HB3 ALA A 76 5.409 1.552 -1.840 1.00 0.16 H new ATOM 882 N TRP A 77 6.311 3.498 -3.804 1.00 0.18 N ATOM 883 CA TRP A 77 7.476 4.054 -4.473 1.00 0.23 C ATOM 884 C TRP A 77 7.122 5.413 -5.059 1.00 0.26 C ATOM 885 O TRP A 77 7.877 6.372 -4.920 1.00 0.30 O ATOM 886 CB TRP A 77 7.984 3.119 -5.566 1.00 0.26 C ATOM 887 CG TRP A 77 9.061 2.199 -5.093 1.00 0.25 C ATOM 888 CD1 TRP A 77 8.969 0.854 -4.959 1.00 0.32 C ATOM 889 CD2 TRP A 77 10.388 2.554 -4.680 1.00 0.29 C ATOM 890 NE1 TRP A 77 10.155 0.335 -4.498 1.00 0.32 N ATOM 891 CE2 TRP A 77 11.043 1.362 -4.319 1.00 0.30 C ATOM 892 CE3 TRP A 77 11.086 3.760 -4.583 1.00 0.43 C ATOM 893 CZ2 TRP A 77 12.361 1.341 -3.869 1.00 0.38 C ATOM 894 CZ3 TRP A 77 12.394 3.738 -4.137 1.00 0.54 C ATOM 895 CH2 TRP A 77 13.019 2.536 -3.784 1.00 0.50 C ATOM 0 H TRP A 77 5.979 2.612 -4.186 1.00 0.18 H new ATOM 0 HA TRP A 77 8.275 4.171 -3.741 1.00 0.23 H new ATOM 0 HB2 TRP A 77 7.151 2.528 -5.947 1.00 0.26 H new ATOM 0 HB3 TRP A 77 8.361 3.713 -6.398 1.00 0.26 H new ATOM 0 HD1 TRP A 77 8.088 0.272 -5.183 1.00 0.32 H new ATOM 0 HE1 TRP A 77 10.343 -0.651 -4.319 1.00 0.32 H new ATOM 0 HE3 TRP A 77 10.612 4.693 -4.852 1.00 0.43 H new ATOM 0 HZ2 TRP A 77 12.845 0.415 -3.597 1.00 0.38 H new ATOM 0 HZ3 TRP A 77 12.944 4.664 -4.059 1.00 0.54 H new ATOM 0 HH2 TRP A 77 14.042 2.553 -3.438 1.00 0.50 H new ATOM 906 N ALA A 78 5.955 5.495 -5.701 1.00 0.24 N ATOM 907 CA ALA A 78 5.495 6.751 -6.289 1.00 0.27 C ATOM 908 C ALA A 78 5.600 7.879 -5.267 1.00 0.29 C ATOM 909 O ALA A 78 6.083 8.968 -5.573 1.00 0.39 O ATOM 910 CB ALA A 78 4.066 6.617 -6.797 1.00 0.27 C ATOM 0 H ALA A 78 5.315 4.710 -5.826 1.00 0.24 H new ATOM 0 HA ALA A 78 6.134 6.991 -7.139 1.00 0.27 H new ATOM 0 HB1 ALA A 78 3.744 7.564 -7.231 1.00 0.27 H new ATOM 0 HB2 ALA A 78 4.021 5.836 -7.556 1.00 0.27 H new ATOM 0 HB3 ALA A 78 3.408 6.355 -5.968 1.00 0.27 H new ATOM 916 N ALA A 79 5.172 7.591 -4.040 1.00 0.24 N ATOM 917 CA ALA A 79 5.244 8.553 -2.958 1.00 0.24 C ATOM 918 C ALA A 79 6.702 8.820 -2.627 1.00 0.25 C ATOM 919 O ALA A 79 7.113 9.966 -2.445 1.00 0.32 O ATOM 920 CB ALA A 79 4.493 8.032 -1.742 1.00 0.23 C ATOM 0 H ALA A 79 4.770 6.692 -3.776 1.00 0.24 H new ATOM 0 HA ALA A 79 4.775 9.488 -3.263 1.00 0.24 H new ATOM 0 HB1 ALA A 79 4.554 8.763 -0.936 1.00 0.23 H new ATOM 0 HB2 ALA A 79 3.448 7.866 -2.003 1.00 0.23 H new ATOM 0 HB3 ALA A 79 4.938 7.093 -1.414 1.00 0.23 H new ATOM 926 N VAL A 80 7.481 7.744 -2.569 1.00 0.21 N ATOM 927 CA VAL A 80 8.893 7.840 -2.284 1.00 0.22 C ATOM 928 C VAL A 80 9.601 8.677 -3.348 1.00 0.26 C ATOM 929 O VAL A 80 10.360 9.580 -3.022 1.00 0.31 O ATOM 930 CB VAL A 80 9.535 6.444 -2.184 1.00 0.19 C ATOM 931 CG1 VAL A 80 11.036 6.568 -2.032 1.00 0.19 C ATOM 932 CG2 VAL A 80 8.948 5.689 -1.003 1.00 0.20 C ATOM 0 H VAL A 80 7.147 6.792 -2.718 1.00 0.21 H new ATOM 0 HA VAL A 80 9.007 8.335 -1.319 1.00 0.22 H new ATOM 0 HB VAL A 80 9.323 5.890 -3.099 1.00 0.19 H new ATOM 0 HG11 VAL A 80 11.478 5.574 -1.962 1.00 0.19 H new ATOM 0 HG12 VAL A 80 11.448 7.088 -2.897 1.00 0.19 H new ATOM 0 HG13 VAL A 80 11.265 7.131 -1.127 1.00 0.19 H new ATOM 0 HG21 VAL A 80 9.406 4.702 -0.938 1.00 0.20 H new ATOM 0 HG22 VAL A 80 9.144 6.242 -0.084 1.00 0.20 H new ATOM 0 HG23 VAL A 80 7.872 5.581 -1.139 1.00 0.20 H new ATOM 942 N LYS A 81 9.350 8.390 -4.623 1.00 0.25 N ATOM 943 CA LYS A 81 9.974 9.146 -5.706 1.00 0.31 C ATOM 944 C LYS A 81 9.481 10.593 -5.721 1.00 0.40 C ATOM 945 O LYS A 81 10.064 11.450 -6.383 1.00 0.66 O ATOM 946 CB LYS A 81 9.682 8.491 -7.052 1.00 0.36 C ATOM 947 CG LYS A 81 9.975 6.999 -7.081 1.00 0.45 C ATOM 948 CD LYS A 81 10.426 6.546 -8.460 1.00 0.73 C ATOM 949 CE LYS A 81 10.372 5.033 -8.593 1.00 0.68 C ATOM 950 NZ LYS A 81 10.945 4.566 -9.886 1.00 1.55 N ATOM 0 H LYS A 81 8.724 7.646 -4.930 1.00 0.25 H new ATOM 0 HA LYS A 81 11.050 9.147 -5.533 1.00 0.31 H new ATOM 0 HB2 LYS A 81 8.634 8.652 -7.305 1.00 0.36 H new ATOM 0 HB3 LYS A 81 10.275 8.984 -7.822 1.00 0.36 H new ATOM 0 HG2 LYS A 81 10.748 6.765 -6.349 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.082 6.446 -6.789 1.00 0.45 H new ATOM 0 HD2 LYS A 81 9.791 7.002 -9.220 1.00 0.73 H new ATOM 0 HD3 LYS A 81 11.443 6.893 -8.644 1.00 0.73 H new ATOM 0 HE2 LYS A 81 10.919 4.577 -7.768 1.00 0.68 H new ATOM 0 HE3 LYS A 81 9.338 4.699 -8.513 1.00 0.68 H new ATOM 0 HZ1 LYS A 81 10.889 3.529 -9.936 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 10.407 4.980 -10.674 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 11.940 4.862 -9.952 1.00 1.55 H new ATOM 964 N HIS A 82 8.408 10.853 -4.982 1.00 0.32 N ATOM 965 CA HIS A 82 7.837 12.190 -4.898 1.00 0.37 C ATOM 966 C HIS A 82 8.537 13.004 -3.816 1.00 0.61 C ATOM 967 O HIS A 82 8.909 14.157 -4.029 1.00 1.20 O ATOM 968 CB HIS A 82 6.336 12.103 -4.605 1.00 0.54 C ATOM 969 CG HIS A 82 5.636 13.427 -4.642 1.00 0.67 C ATOM 970 ND1 HIS A 82 5.334 14.088 -5.813 1.00 1.21 N ATOM 971 CD2 HIS A 82 5.170 14.211 -3.640 1.00 1.16 C ATOM 972 CE1 HIS A 82 4.715 15.219 -5.535 1.00 1.10 C ATOM 973 NE2 HIS A 82 4.601 15.317 -4.224 1.00 1.00 N ATOM 0 H HIS A 82 7.915 10.151 -4.430 1.00 0.32 H new ATOM 0 HA HIS A 82 7.983 12.690 -5.855 1.00 0.37 H new ATOM 0 HB2 HIS A 82 5.871 11.436 -5.331 1.00 0.54 H new ATOM 0 HB3 HIS A 82 6.192 11.654 -3.622 1.00 0.54 H new ATOM 0 HD2 HIS A 82 5.234 14.005 -2.582 1.00 1.16 H new ATOM 0 HE1 HIS A 82 4.362 15.941 -6.256 1.00 1.10 H new ATOM 0 HE2 HIS A 82 4.161 16.090 -3.724 1.00 1.00 H new ATOM 981 N GLU A 83 8.703 12.391 -2.651 1.00 0.36 N ATOM 982 CA GLU A 83 9.347 13.042 -1.516 1.00 0.48 C ATOM 983 C GLU A 83 10.822 12.668 -1.425 1.00 0.45 C ATOM 984 O GLU A 83 11.577 13.283 -0.679 1.00 0.86 O ATOM 985 CB GLU A 83 8.629 12.659 -0.223 1.00 0.65 C ATOM 986 CG GLU A 83 7.143 12.405 -0.421 1.00 0.70 C ATOM 987 CD GLU A 83 6.297 12.900 0.737 1.00 0.99 C ATOM 988 OE1 GLU A 83 6.630 13.963 1.302 1.00 1.34 O ATOM 989 OE2 GLU A 83 5.304 12.225 1.079 1.00 1.20 O ATOM 0 H GLU A 83 8.398 11.435 -2.466 1.00 0.36 H new ATOM 0 HA GLU A 83 9.283 14.120 -1.662 1.00 0.48 H new ATOM 0 HB2 GLU A 83 9.093 11.764 0.192 1.00 0.65 H new ATOM 0 HB3 GLU A 83 8.761 13.456 0.509 1.00 0.65 H new ATOM 0 HG2 GLU A 83 6.816 12.895 -1.338 1.00 0.70 H new ATOM 0 HG3 GLU A 83 6.977 11.336 -0.554 1.00 0.70 H new ATOM 996 N TYR A 84 11.221 11.643 -2.169 1.00 0.32 N ATOM 997 CA TYR A 84 12.602 11.171 -2.158 1.00 0.35 C ATOM 998 C TYR A 84 13.120 10.913 -3.575 1.00 0.39 C ATOM 999 O TYR A 84 12.362 10.532 -4.466 1.00 0.45 O ATOM 1000 CB TYR A 84 12.710 9.902 -1.303 1.00 0.30 C ATOM 1001 CG TYR A 84 12.683 10.184 0.181 1.00 0.26 C ATOM 1002 CD1 TYR A 84 11.480 10.327 0.856 1.00 0.29 C ATOM 1003 CD2 TYR A 84 13.859 10.332 0.901 1.00 0.36 C ATOM 1004 CE1 TYR A 84 11.451 10.609 2.210 1.00 0.32 C ATOM 1005 CE2 TYR A 84 13.836 10.618 2.252 1.00 0.36 C ATOM 1006 CZ TYR A 84 12.633 10.756 2.901 1.00 0.29 C ATOM 1007 OH TYR A 84 12.612 11.047 4.244 1.00 0.36 O ATOM 0 H TYR A 84 10.605 11.120 -2.791 1.00 0.32 H new ATOM 0 HA TYR A 84 13.226 11.951 -1.722 1.00 0.35 H new ATOM 0 HB2 TYR A 84 11.889 9.231 -1.554 1.00 0.30 H new ATOM 0 HB3 TYR A 84 13.635 9.381 -1.551 1.00 0.30 H new ATOM 0 HD1 TYR A 84 10.551 10.216 0.316 1.00 0.29 H new ATOM 0 HD2 TYR A 84 14.808 10.222 0.397 1.00 0.36 H new ATOM 0 HE1 TYR A 84 10.506 10.713 2.723 1.00 0.32 H new ATOM 0 HE2 TYR A 84 14.761 10.733 2.797 1.00 0.36 H new ATOM 0 HH TYR A 84 13.531 11.116 4.578 1.00 0.36 H new ATOM 1017 N ALA A 85 14.420 11.129 -3.765 1.00 0.44 N ATOM 1018 CA ALA A 85 15.062 10.923 -5.065 1.00 0.51 C ATOM 1019 C ALA A 85 16.220 9.941 -4.970 1.00 0.64 C ATOM 1020 O ALA A 85 16.928 9.912 -3.967 1.00 0.68 O ATOM 1021 CB ALA A 85 15.571 12.242 -5.628 1.00 0.52 C ATOM 0 H ALA A 85 15.054 11.448 -3.032 1.00 0.44 H new ATOM 0 HA ALA A 85 14.307 10.507 -5.732 1.00 0.51 H new ATOM 0 HB1 ALA A 85 16.044 12.067 -6.594 1.00 0.52 H new ATOM 0 HB2 ALA A 85 14.736 12.931 -5.753 1.00 0.52 H new ATOM 0 HB3 ALA A 85 16.298 12.675 -4.941 1.00 0.52 H new ATOM 1027 N LYS A 86 16.436 9.172 -6.032 1.00 0.80 N ATOM 1028 CA LYS A 86 17.546 8.229 -6.066 1.00 1.00 C ATOM 1029 C LYS A 86 18.761 8.884 -6.690 1.00 1.41 C ATOM 1030 O LYS A 86 18.716 9.313 -7.843 1.00 1.94 O ATOM 1031 CB LYS A 86 17.198 6.977 -6.865 1.00 1.31 C ATOM 1032 CG LYS A 86 18.238 5.878 -6.738 1.00 1.31 C ATOM 1033 CD LYS A 86 17.833 4.633 -7.511 1.00 1.52 C ATOM 1034 CE LYS A 86 18.129 4.772 -8.995 1.00 2.11 C ATOM 1035 NZ LYS A 86 18.549 3.478 -9.600 1.00 3.09 N ATOM 0 H LYS A 86 15.861 9.183 -6.875 1.00 0.80 H new ATOM 0 HA LYS A 86 17.758 7.937 -5.037 1.00 1.00 H new ATOM 0 HB2 LYS A 86 16.233 6.596 -6.529 1.00 1.31 H new ATOM 0 HB3 LYS A 86 17.087 7.244 -7.916 1.00 1.31 H new ATOM 0 HG2 LYS A 86 19.198 6.240 -7.107 1.00 1.31 H new ATOM 0 HG3 LYS A 86 18.375 5.626 -5.687 1.00 1.31 H new ATOM 0 HD2 LYS A 86 18.365 3.769 -7.113 1.00 1.52 H new ATOM 0 HD3 LYS A 86 16.769 4.446 -7.368 1.00 1.52 H new ATOM 0 HE2 LYS A 86 17.242 5.142 -9.509 1.00 2.11 H new ATOM 0 HE3 LYS A 86 18.915 5.513 -9.141 1.00 2.11 H new ATOM 0 HZ1 LYS A 86 18.742 3.615 -10.613 1.00 3.09 H new ATOM 0 HZ2 LYS A 86 19.410 3.137 -9.127 1.00 3.09 H new ATOM 0 HZ3 LYS A 86 17.789 2.778 -9.484 1.00 3.09 H new ATOM 1049 N GLY A 87 19.853 8.957 -5.943 1.00 1.29 N ATOM 1050 CA GLY A 87 21.050 9.558 -6.478 1.00 1.77 C ATOM 1051 C GLY A 87 21.571 8.783 -7.667 1.00 2.25 C ATOM 1052 O GLY A 87 20.906 7.868 -8.151 1.00 2.39 O ATOM 0 H GLY A 87 19.929 8.614 -4.986 1.00 1.29 H new ATOM 0 HA2 GLY A 87 20.842 10.586 -6.774 1.00 1.77 H new ATOM 0 HA3 GLY A 87 21.816 9.598 -5.704 1.00 1.77 H new ATOM 1056 N ASP A 88 22.751 9.141 -8.149 1.00 2.65 N ATOM 1057 CA ASP A 88 23.331 8.460 -9.297 1.00 3.15 C ATOM 1058 C ASP A 88 24.025 7.161 -8.893 1.00 2.99 C ATOM 1059 O ASP A 88 24.982 6.742 -9.545 1.00 3.40 O ATOM 1060 CB ASP A 88 24.326 9.381 -10.006 1.00 3.64 C ATOM 1061 CG ASP A 88 25.411 9.880 -9.073 1.00 3.89 C ATOM 1062 OD1 ASP A 88 25.749 9.151 -8.114 1.00 4.11 O ATOM 1063 OD2 ASP A 88 25.923 10.995 -9.299 1.00 4.30 O ATOM 0 H ASP A 88 23.323 9.894 -7.767 1.00 2.65 H new ATOM 0 HA ASP A 88 22.517 8.207 -9.977 1.00 3.15 H new ATOM 0 HB2 ASP A 88 24.783 8.846 -10.839 1.00 3.64 H new ATOM 0 HB3 ASP A 88 23.793 10.233 -10.428 1.00 3.64 H new ATOM 1068 N ASP A 89 23.542 6.510 -7.832 1.00 2.50 N ATOM 1069 CA ASP A 89 24.132 5.259 -7.392 1.00 2.33 C ATOM 1070 C ASP A 89 23.067 4.175 -7.299 1.00 1.98 C ATOM 1071 O ASP A 89 22.833 3.427 -8.248 1.00 1.80 O ATOM 1072 CB ASP A 89 24.851 5.455 -6.052 1.00 2.17 C ATOM 1073 CG ASP A 89 25.754 6.673 -6.054 1.00 2.86 C ATOM 1074 OD1 ASP A 89 25.245 7.791 -5.822 1.00 3.11 O ATOM 1075 OD2 ASP A 89 26.970 6.510 -6.286 1.00 3.51 O ATOM 0 H ASP A 89 22.752 6.830 -7.272 1.00 2.50 H new ATOM 0 HA ASP A 89 24.871 4.937 -8.125 1.00 2.33 H new ATOM 0 HB2 ASP A 89 24.112 5.555 -5.257 1.00 2.17 H new ATOM 0 HB3 ASP A 89 25.443 4.568 -5.827 1.00 2.17 H new ATOM 1080 N ASP A 90 22.423 4.116 -6.156 1.00 2.01 N ATOM 1081 CA ASP A 90 21.368 3.161 -5.898 1.00 1.83 C ATOM 1082 C ASP A 90 20.755 3.475 -4.550 1.00 1.46 C ATOM 1083 O ASP A 90 20.256 2.596 -3.860 1.00 1.56 O ATOM 1084 CB ASP A 90 21.917 1.736 -5.922 1.00 2.05 C ATOM 1085 CG ASP A 90 21.346 0.910 -7.058 1.00 2.47 C ATOM 1086 OD1 ASP A 90 21.861 1.019 -8.190 1.00 2.98 O ATOM 1087 OD2 ASP A 90 20.384 0.151 -6.816 1.00 2.68 O ATOM 0 H ASP A 90 22.619 4.736 -5.370 1.00 2.01 H new ATOM 0 HA ASP A 90 20.606 3.234 -6.674 1.00 1.83 H new ATOM 0 HB2 ASP A 90 23.003 1.770 -6.013 1.00 2.05 H new ATOM 0 HB3 ASP A 90 21.692 1.248 -4.974 1.00 2.05 H new ATOM 1092 N LYS A 91 20.814 4.750 -4.190 1.00 1.26 N ATOM 1093 CA LYS A 91 20.278 5.223 -2.927 1.00 0.94 C ATOM 1094 C LYS A 91 19.369 6.423 -3.138 1.00 0.97 C ATOM 1095 O LYS A 91 19.414 7.063 -4.187 1.00 1.41 O ATOM 1096 CB LYS A 91 21.421 5.605 -2.005 1.00 1.05 C ATOM 1097 CG LYS A 91 21.814 4.501 -1.055 1.00 0.97 C ATOM 1098 CD LYS A 91 22.902 4.956 -0.093 1.00 1.26 C ATOM 1099 CE LYS A 91 24.057 3.968 -0.049 1.00 1.48 C ATOM 1100 NZ LYS A 91 24.330 3.497 1.335 1.00 2.02 N ATOM 0 H LYS A 91 21.234 5.481 -4.765 1.00 1.26 H new ATOM 0 HA LYS A 91 19.691 4.422 -2.478 1.00 0.94 H new ATOM 0 HB2 LYS A 91 22.287 5.883 -2.606 1.00 1.05 H new ATOM 0 HB3 LYS A 91 21.136 6.486 -1.430 1.00 1.05 H new ATOM 0 HG2 LYS A 91 20.940 4.177 -0.491 1.00 0.97 H new ATOM 0 HG3 LYS A 91 22.165 3.639 -1.622 1.00 0.97 H new ATOM 0 HD2 LYS A 91 23.271 5.935 -0.397 1.00 1.26 H new ATOM 0 HD3 LYS A 91 22.481 5.070 0.906 1.00 1.26 H new ATOM 0 HE2 LYS A 91 23.828 3.113 -0.685 1.00 1.48 H new ATOM 0 HE3 LYS A 91 24.952 4.438 -0.456 1.00 1.48 H new ATOM 0 HZ1 LYS A 91 25.124 2.825 1.323 1.00 2.02 H new ATOM 0 HZ2 LYS A 91 24.573 4.310 1.937 1.00 2.02 H new ATOM 0 HZ3 LYS A 91 23.484 3.026 1.715 1.00 2.02 H new ATOM 1114 N TRP A 92 18.535 6.713 -2.147 1.00 0.52 N ATOM 1115 CA TRP A 92 17.601 7.829 -2.251 1.00 0.45 C ATOM 1116 C TRP A 92 17.784 8.857 -1.134 1.00 0.43 C ATOM 1117 O TRP A 92 18.272 8.545 -0.048 1.00 0.52 O ATOM 1118 CB TRP A 92 16.161 7.316 -2.230 1.00 0.42 C ATOM 1119 CG TRP A 92 15.865 6.308 -3.297 1.00 0.49 C ATOM 1120 CD1 TRP A 92 16.418 5.068 -3.427 1.00 0.60 C ATOM 1121 CD2 TRP A 92 14.945 6.453 -4.386 1.00 0.53 C ATOM 1122 NE1 TRP A 92 15.896 4.430 -4.525 1.00 0.72 N ATOM 1123 CE2 TRP A 92 14.990 5.259 -5.131 1.00 0.68 C ATOM 1124 CE3 TRP A 92 14.088 7.476 -4.799 1.00 0.52 C ATOM 1125 CZ2 TRP A 92 14.211 5.062 -6.268 1.00 0.79 C ATOM 1126 CZ3 TRP A 92 13.315 7.279 -5.928 1.00 0.62 C ATOM 1127 CH2 TRP A 92 13.381 6.080 -6.649 1.00 0.75 C ATOM 0 H TRP A 92 18.485 6.196 -1.269 1.00 0.52 H new ATOM 0 HA TRP A 92 17.812 8.326 -3.198 1.00 0.45 H new ATOM 0 HB2 TRP A 92 15.957 6.871 -1.256 1.00 0.42 H new ATOM 0 HB3 TRP A 92 15.482 8.161 -2.343 1.00 0.42 H new ATOM 0 HD1 TRP A 92 17.159 4.649 -2.763 1.00 0.60 H new ATOM 0 HE1 TRP A 92 16.143 3.491 -4.838 1.00 0.72 H new ATOM 0 HE3 TRP A 92 14.031 8.403 -4.247 1.00 0.52 H new ATOM 0 HZ2 TRP A 92 14.260 4.140 -6.828 1.00 0.79 H new ATOM 0 HZ3 TRP A 92 12.649 8.062 -6.259 1.00 0.62 H new ATOM 0 HH2 TRP A 92 12.762 5.957 -7.526 1.00 0.75 H new ATOM 1138 N HIS A 93 17.351 10.085 -1.420 1.00 0.40 N ATOM 1139 CA HIS A 93 17.411 11.193 -0.470 1.00 0.48 C ATOM 1140 C HIS A 93 16.139 12.027 -0.611 1.00 0.48 C ATOM 1141 O HIS A 93 15.650 12.224 -1.721 1.00 0.46 O ATOM 1142 CB HIS A 93 18.651 12.053 -0.723 1.00 0.62 C ATOM 1143 CG HIS A 93 18.809 12.473 -2.149 1.00 0.75 C ATOM 1144 ND1 HIS A 93 18.838 13.791 -2.548 1.00 1.11 N ATOM 1145 CD2 HIS A 93 18.946 11.738 -3.279 1.00 0.83 C ATOM 1146 CE1 HIS A 93 18.985 13.854 -3.858 1.00 1.15 C ATOM 1147 NE2 HIS A 93 19.054 12.621 -4.325 1.00 0.95 N ATOM 0 H HIS A 93 16.947 10.339 -2.322 1.00 0.40 H new ATOM 0 HA HIS A 93 17.482 10.802 0.545 1.00 0.48 H new ATOM 0 HB2 HIS A 93 18.600 12.942 -0.095 1.00 0.62 H new ATOM 0 HB3 HIS A 93 19.537 11.497 -0.417 1.00 0.62 H new ATOM 0 HD2 HIS A 93 18.966 10.660 -3.345 1.00 0.83 H new ATOM 0 HE1 HIS A 93 19.039 14.758 -4.446 1.00 1.15 H new ATOM 0 HE2 HIS A 93 19.169 12.365 -5.306 1.00 0.95 H new ATOM 1155 N LYS A 94 15.573 12.481 0.507 1.00 0.49 N ATOM 1156 CA LYS A 94 14.327 13.245 0.453 1.00 0.48 C ATOM 1157 C LYS A 94 14.420 14.464 -0.442 1.00 0.49 C ATOM 1158 O LYS A 94 15.237 15.359 -0.231 1.00 0.51 O ATOM 1159 CB LYS A 94 13.842 13.682 1.832 1.00 0.58 C ATOM 1160 CG LYS A 94 12.342 13.954 1.845 1.00 0.57 C ATOM 1161 CD LYS A 94 11.890 14.596 3.144 1.00 0.75 C ATOM 1162 CE LYS A 94 10.394 14.410 3.361 1.00 0.86 C ATOM 1163 NZ LYS A 94 9.793 15.574 4.069 1.00 0.93 N ATOM 0 H LYS A 94 15.949 12.337 1.444 1.00 0.49 H new ATOM 0 HA LYS A 94 13.602 12.552 0.027 1.00 0.48 H new ATOM 0 HB2 LYS A 94 14.077 12.908 2.562 1.00 0.58 H new ATOM 0 HB3 LYS A 94 14.377 14.581 2.137 1.00 0.58 H new ATOM 0 HG2 LYS A 94 12.085 14.606 1.010 1.00 0.57 H new ATOM 0 HG3 LYS A 94 11.803 13.018 1.697 1.00 0.57 H new ATOM 0 HD2 LYS A 94 12.438 14.158 3.978 1.00 0.75 H new ATOM 0 HD3 LYS A 94 12.128 15.660 3.129 1.00 0.75 H new ATOM 0 HE2 LYS A 94 9.900 14.275 2.399 1.00 0.86 H new ATOM 0 HE3 LYS A 94 10.220 13.502 3.939 1.00 0.86 H new ATOM 0 HZ1 LYS A 94 8.774 15.413 4.199 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 10.247 15.688 4.998 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 9.938 16.436 3.505 1.00 0.93 H new ATOM 1177 N LYS A 95 13.536 14.489 -1.425 1.00 0.52 N ATOM 1178 CA LYS A 95 13.443 15.584 -2.359 1.00 0.58 C ATOM 1179 C LYS A 95 12.658 16.730 -1.731 1.00 0.68 C ATOM 1180 O LYS A 95 13.232 17.683 -1.203 1.00 0.93 O ATOM 1181 CB LYS A 95 12.759 15.114 -3.632 1.00 0.56 C ATOM 1182 CG LYS A 95 13.712 14.484 -4.620 1.00 0.56 C ATOM 1183 CD LYS A 95 14.288 15.515 -5.572 1.00 0.65 C ATOM 1184 CE LYS A 95 13.584 15.481 -6.919 1.00 0.96 C ATOM 1185 NZ LYS A 95 14.247 16.368 -7.916 1.00 1.87 N ATOM 0 H LYS A 95 12.861 13.743 -1.593 1.00 0.52 H new ATOM 0 HA LYS A 95 14.445 15.936 -2.606 1.00 0.58 H new ATOM 0 HB2 LYS A 95 11.983 14.393 -3.375 1.00 0.56 H new ATOM 0 HB3 LYS A 95 12.263 15.962 -4.105 1.00 0.56 H new ATOM 0 HG2 LYS A 95 14.522 13.991 -4.082 1.00 0.56 H new ATOM 0 HG3 LYS A 95 13.191 13.713 -5.188 1.00 0.56 H new ATOM 0 HD2 LYS A 95 14.193 16.509 -5.135 1.00 0.65 H new ATOM 0 HD3 LYS A 95 15.353 15.329 -5.712 1.00 0.65 H new ATOM 0 HE2 LYS A 95 13.570 14.458 -7.296 1.00 0.96 H new ATOM 0 HE3 LYS A 95 12.546 15.788 -6.794 1.00 0.96 H new ATOM 0 HZ1 LYS A 95 13.736 16.316 -8.821 1.00 1.87 H new ATOM 0 HZ2 LYS A 95 14.238 17.348 -7.569 1.00 1.87 H new ATOM 0 HZ3 LYS A 95 15.230 16.060 -8.055 1.00 1.87 H new ATOM 1199 N SER A 96 11.335 16.617 -1.794 1.00 0.74 N ATOM 1200 CA SER A 96 10.445 17.626 -1.236 1.00 0.87 C ATOM 1201 C SER A 96 10.608 17.716 0.278 1.00 0.86 C ATOM 1202 O SER A 96 10.450 18.827 0.825 1.00 1.19 O ATOM 1203 CB SER A 96 8.992 17.300 -1.588 1.00 1.27 C ATOM 1204 OG SER A 96 8.656 17.786 -2.878 1.00 1.84 O ATOM 1205 OXT SER A 96 10.893 16.673 0.903 1.00 1.65 O ATOM 0 H SER A 96 10.854 15.830 -2.230 1.00 0.74 H new ATOM 0 HA SER A 96 10.709 18.591 -1.668 1.00 0.87 H new ATOM 0 HB2 SER A 96 8.839 16.221 -1.552 1.00 1.27 H new ATOM 0 HB3 SER A 96 8.327 17.741 -0.845 1.00 1.27 H new ATOM 0 HG SER A 96 7.723 17.563 -3.079 1.00 1.84 H new