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 40 HIS : no HD1:sc= -0.618 K(o=-0.62,f=-1.4) USER MOD Set 1.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 TYR OH : rot 130:sc= 0.204 USER MOD Set 2.2: A 67 SER OG : rot -95:sc= 0.159 USER MOD Set 2.3: A 71 THR OG1 : rot 154:sc= 0.303 USER MOD Set 3.1: A 46 LYS NZ :NH3+ 151:sc= -0.451 (180deg=-1.05) USER MOD Set 3.2: A 50 ASN : amide:sc= -1.69 K(o=-2.1,f=-8.8!) USER MOD Set 4.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 34 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.06) USER MOD Set 5.1: A 26 LYS NZ :NH3+ 174:sc= 0.982 (180deg=0) USER MOD Set 5.2: A 39 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 42 GLN : amide:sc= -2.35 K(o=-1.4,f=-13!) USER MOD Set 6.1: A 23 TYR OH : rot -125:sc= -1.04 USER MOD Set 6.2: A 45 TYR OH : rot 151:sc= 0.68 USER MOD Set 6.3: A 73 HIS : no HE2:sc= -2.42 X(o=-2.8,f=-2.7) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.429 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.15) 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+ 180:sc= 0 (180deg=0) 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= -1.11 K(o=-1.1,f=-0.16) USER MOD Single : A 84 TYR OH : rot -96:sc= -2.93! USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= 0.358 (180deg=0.336) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.48) 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 1.661 -6.120 4.111 1.00 0.68 N ATOM 2 CA PRO A 22 3.041 -6.598 4.197 1.00 0.81 C ATOM 3 C PRO A 22 3.887 -5.735 5.134 1.00 0.62 C ATOM 4 O PRO A 22 4.949 -6.157 5.591 1.00 0.76 O ATOM 5 CB PRO A 22 3.564 -6.479 2.755 1.00 0.95 C ATOM 6 CG PRO A 22 2.371 -6.174 1.922 1.00 0.89 C ATOM 7 CD PRO A 22 1.413 -5.465 2.829 1.00 0.64 C ATOM 0 HA PRO A 22 3.093 -7.610 4.598 1.00 0.81 H new ATOM 0 HB2 PRO A 22 4.312 -5.690 2.673 1.00 0.95 H new ATOM 0 HB3 PRO A 22 4.041 -7.405 2.433 1.00 0.95 H new ATOM 0 HG2 PRO A 22 2.638 -5.549 1.070 1.00 0.89 H new ATOM 0 HG3 PRO A 22 1.929 -7.087 1.522 1.00 0.89 H new ATOM 0 HD2 PRO A 22 1.611 -4.394 2.874 1.00 0.64 H new ATOM 0 HD3 PRO A 22 0.380 -5.585 2.504 1.00 0.64 H new ATOM 15 N TYR A 23 3.401 -4.528 5.417 1.00 0.49 N ATOM 16 CA TYR A 23 4.102 -3.605 6.304 1.00 0.51 C ATOM 17 C TYR A 23 3.266 -3.331 7.547 1.00 0.77 C ATOM 18 O TYR A 23 2.044 -3.215 7.465 1.00 1.47 O ATOM 19 CB TYR A 23 4.400 -2.297 5.574 1.00 0.50 C ATOM 20 CG TYR A 23 5.098 -2.512 4.258 1.00 0.32 C ATOM 21 CD1 TYR A 23 6.057 -3.504 4.126 1.00 0.40 C ATOM 22 CD2 TYR A 23 4.791 -1.738 3.148 1.00 0.42 C ATOM 23 CE1 TYR A 23 6.695 -3.720 2.925 1.00 0.38 C ATOM 24 CE2 TYR A 23 5.423 -1.950 1.939 1.00 0.49 C ATOM 25 CZ TYR A 23 6.375 -2.943 1.831 1.00 0.32 C ATOM 26 OH TYR A 23 7.006 -3.159 0.630 1.00 0.58 O ATOM 0 H TYR A 23 2.523 -4.167 5.044 1.00 0.49 H new ATOM 0 HA TYR A 23 5.044 -4.061 6.608 1.00 0.51 H new ATOM 0 HB2 TYR A 23 3.467 -1.761 5.402 1.00 0.50 H new ATOM 0 HB3 TYR A 23 5.019 -1.664 6.210 1.00 0.50 H new ATOM 0 HD1 TYR A 23 6.308 -4.117 4.979 1.00 0.40 H new ATOM 0 HD2 TYR A 23 4.047 -0.959 3.231 1.00 0.42 H new ATOM 0 HE1 TYR A 23 7.443 -4.495 2.840 1.00 0.38 H new ATOM 0 HE2 TYR A 23 5.174 -1.342 1.082 1.00 0.49 H new ATOM 0 HH TYR A 23 7.412 -2.323 0.319 1.00 0.58 H new ATOM 36 N LYS A 24 3.920 -3.246 8.698 1.00 0.58 N ATOM 37 CA LYS A 24 3.205 -3.008 9.945 1.00 0.74 C ATOM 38 C LYS A 24 3.656 -1.729 10.640 1.00 0.46 C ATOM 39 O LYS A 24 2.832 -0.996 11.187 1.00 0.48 O ATOM 40 CB LYS A 24 3.382 -4.200 10.882 1.00 1.13 C ATOM 41 CG LYS A 24 2.704 -5.462 10.380 1.00 1.69 C ATOM 42 CD LYS A 24 1.190 -5.311 10.368 1.00 2.10 C ATOM 43 CE LYS A 24 0.570 -5.862 11.640 1.00 2.94 C ATOM 44 NZ LYS A 24 -0.642 -5.099 12.045 1.00 3.49 N ATOM 0 H LYS A 24 4.931 -3.337 8.795 1.00 0.58 H new ATOM 0 HA LYS A 24 2.151 -2.885 9.695 1.00 0.74 H new ATOM 0 HB2 LYS A 24 4.446 -4.395 11.014 1.00 1.13 H new ATOM 0 HB3 LYS A 24 2.981 -3.945 11.863 1.00 1.13 H new ATOM 0 HG2 LYS A 24 3.056 -5.691 9.374 1.00 1.69 H new ATOM 0 HG3 LYS A 24 2.982 -6.303 11.014 1.00 1.69 H new ATOM 0 HD2 LYS A 24 0.928 -4.258 10.260 1.00 2.10 H new ATOM 0 HD3 LYS A 24 0.777 -5.832 9.504 1.00 2.10 H new ATOM 0 HE2 LYS A 24 0.306 -6.909 11.491 1.00 2.94 H new ATOM 0 HE3 LYS A 24 1.304 -5.830 12.445 1.00 2.94 H new ATOM 0 HZ1 LYS A 24 -1.034 -5.508 12.917 1.00 3.49 H new ATOM 0 HZ2 LYS A 24 -0.386 -4.105 12.213 1.00 3.49 H new ATOM 0 HZ3 LYS A 24 -1.354 -5.151 11.288 1.00 3.49 H new ATOM 58 N THR A 25 4.956 -1.456 10.623 1.00 0.51 N ATOM 59 CA THR A 25 5.481 -0.257 11.262 1.00 0.54 C ATOM 60 C THR A 25 6.302 0.572 10.277 1.00 0.71 C ATOM 61 O THR A 25 6.013 1.744 10.039 1.00 1.50 O ATOM 62 CB THR A 25 6.334 -0.644 12.472 1.00 0.71 C ATOM 63 OG1 THR A 25 7.560 -1.216 12.057 1.00 0.98 O ATOM 64 CG2 THR A 25 5.650 -1.637 13.385 1.00 0.57 C ATOM 0 H THR A 25 5.660 -2.044 10.177 1.00 0.51 H new ATOM 0 HA THR A 25 4.641 0.352 11.597 1.00 0.54 H new ATOM 0 HB THR A 25 6.498 0.282 13.023 1.00 0.71 H new ATOM 0 HG1 THR A 25 8.092 -1.455 12.844 1.00 0.98 H new ATOM 0 HG21 THR A 25 6.305 -1.871 14.224 1.00 0.57 H new ATOM 0 HG22 THR A 25 4.721 -1.207 13.760 1.00 0.57 H new ATOM 0 HG23 THR A 25 5.430 -2.549 12.831 1.00 0.57 H new ATOM 72 N LYS A 26 7.328 -0.057 9.710 1.00 0.34 N ATOM 73 CA LYS A 26 8.209 0.596 8.746 1.00 0.34 C ATOM 74 C LYS A 26 9.362 -0.335 8.391 1.00 0.39 C ATOM 75 O LYS A 26 9.637 -0.579 7.218 1.00 0.42 O ATOM 76 CB LYS A 26 8.744 1.920 9.304 1.00 0.42 C ATOM 77 CG LYS A 26 9.831 2.557 8.451 1.00 0.66 C ATOM 78 CD LYS A 26 10.967 3.084 9.310 1.00 0.83 C ATOM 79 CE LYS A 26 10.838 4.581 9.539 1.00 0.99 C ATOM 80 NZ LYS A 26 12.150 5.212 9.849 1.00 1.34 N ATOM 0 H LYS A 26 7.571 -1.028 9.904 1.00 0.34 H new ATOM 0 HA LYS A 26 7.637 0.818 7.845 1.00 0.34 H new ATOM 0 HB2 LYS A 26 7.916 2.622 9.403 1.00 0.42 H new ATOM 0 HB3 LYS A 26 9.137 1.748 10.306 1.00 0.42 H new ATOM 0 HG2 LYS A 26 10.217 1.824 7.743 1.00 0.66 H new ATOM 0 HG3 LYS A 26 9.406 3.372 7.866 1.00 0.66 H new ATOM 0 HD2 LYS A 26 10.971 2.566 10.269 1.00 0.83 H new ATOM 0 HD3 LYS A 26 11.920 2.869 8.828 1.00 0.83 H new ATOM 0 HE2 LYS A 26 10.412 5.048 8.651 1.00 0.99 H new ATOM 0 HE3 LYS A 26 10.145 4.764 10.360 1.00 0.99 H new ATOM 0 HZ1 LYS A 26 12.036 6.245 9.898 1.00 1.34 H new ATOM 0 HZ2 LYS A 26 12.498 4.858 10.763 1.00 1.34 H new ATOM 0 HZ3 LYS A 26 12.834 4.974 9.103 1.00 1.34 H new ATOM 94 N SER A 27 10.029 -0.863 9.414 1.00 0.45 N ATOM 95 CA SER A 27 11.140 -1.780 9.199 1.00 0.54 C ATOM 96 C SER A 27 10.689 -2.983 8.373 1.00 0.50 C ATOM 97 O SER A 27 11.504 -3.660 7.745 1.00 0.52 O ATOM 98 CB SER A 27 11.714 -2.245 10.536 1.00 0.66 C ATOM 99 OG SER A 27 12.721 -3.225 10.348 1.00 1.66 O ATOM 0 H SER A 27 9.820 -0.672 10.394 1.00 0.45 H new ATOM 0 HA SER A 27 11.919 -1.252 8.649 1.00 0.54 H new ATOM 0 HB2 SER A 27 12.129 -1.392 11.073 1.00 0.66 H new ATOM 0 HB3 SER A 27 10.916 -2.654 11.155 1.00 0.66 H new ATOM 0 HG SER A 27 13.072 -3.504 11.219 1.00 1.66 H new ATOM 105 N ASP A 28 9.381 -3.240 8.376 1.00 0.49 N ATOM 106 CA ASP A 28 8.812 -4.352 7.626 1.00 0.49 C ATOM 107 C ASP A 28 9.047 -4.180 6.125 1.00 0.48 C ATOM 108 O ASP A 28 8.944 -5.139 5.361 1.00 0.66 O ATOM 109 CB ASP A 28 7.313 -4.466 7.908 1.00 0.50 C ATOM 110 CG ASP A 28 7.023 -5.261 9.167 1.00 1.20 C ATOM 111 OD1 ASP A 28 7.888 -5.283 10.067 1.00 1.87 O ATOM 112 OD2 ASP A 28 5.931 -5.862 9.250 1.00 1.58 O ATOM 0 H ASP A 28 8.696 -2.689 8.893 1.00 0.49 H new ATOM 0 HA ASP A 28 9.310 -5.267 7.949 1.00 0.49 H new ATOM 0 HB2 ASP A 28 6.887 -3.467 8.005 1.00 0.50 H new ATOM 0 HB3 ASP A 28 6.821 -4.941 7.059 1.00 0.50 H new ATOM 117 N LEU A 29 9.362 -2.956 5.709 1.00 0.42 N ATOM 118 CA LEU A 29 9.605 -2.668 4.300 1.00 0.42 C ATOM 119 C LEU A 29 10.689 -3.577 3.726 1.00 0.51 C ATOM 120 O LEU A 29 11.455 -4.192 4.468 1.00 0.59 O ATOM 121 CB LEU A 29 9.997 -1.205 4.115 1.00 0.40 C ATOM 122 CG LEU A 29 8.896 -0.198 4.444 1.00 0.30 C ATOM 123 CD1 LEU A 29 9.457 1.213 4.483 1.00 0.24 C ATOM 124 CD2 LEU A 29 7.757 -0.294 3.440 1.00 0.34 C ATOM 0 H LEU A 29 9.455 -2.150 6.327 1.00 0.42 H new ATOM 0 HA LEU A 29 8.679 -2.860 3.758 1.00 0.42 H new ATOM 0 HB2 LEU A 29 10.862 -0.994 4.743 1.00 0.40 H new ATOM 0 HB3 LEU A 29 10.309 -1.055 3.081 1.00 0.40 H new ATOM 0 HG LEU A 29 8.500 -0.438 5.431 1.00 0.30 H new ATOM 0 HD11 LEU A 29 8.658 1.916 4.719 1.00 0.24 H new ATOM 0 HD12 LEU A 29 10.232 1.275 5.247 1.00 0.24 H new ATOM 0 HD13 LEU A 29 9.884 1.462 3.511 1.00 0.24 H new ATOM 0 HD21 LEU A 29 6.985 0.432 3.695 1.00 0.34 H new ATOM 0 HD22 LEU A 29 8.135 -0.085 2.439 1.00 0.34 H new ATOM 0 HD23 LEU A 29 7.333 -1.298 3.466 1.00 0.34 H new ATOM 136 N PRO A 30 10.757 -3.679 2.388 1.00 0.50 N ATOM 137 CA PRO A 30 11.737 -4.524 1.699 1.00 0.55 C ATOM 138 C PRO A 30 13.170 -4.036 1.878 1.00 0.57 C ATOM 139 O PRO A 30 13.446 -2.840 1.810 1.00 0.98 O ATOM 140 CB PRO A 30 11.321 -4.426 0.222 1.00 0.53 C ATOM 141 CG PRO A 30 9.937 -3.896 0.241 1.00 0.58 C ATOM 142 CD PRO A 30 9.872 -3.000 1.435 1.00 0.48 C ATOM 0 HA PRO A 30 11.736 -5.540 2.094 1.00 0.55 H new ATOM 0 HB2 PRO A 30 11.988 -3.765 -0.332 1.00 0.53 H new ATOM 0 HB3 PRO A 30 11.362 -5.401 -0.264 1.00 0.53 H new ATOM 0 HG2 PRO A 30 9.714 -3.348 -0.674 1.00 0.58 H new ATOM 0 HG3 PRO A 30 9.208 -4.703 0.315 1.00 0.58 H new ATOM 0 HD2 PRO A 30 10.219 -1.992 1.206 1.00 0.48 H new ATOM 0 HD3 PRO A 30 8.856 -2.908 1.819 1.00 0.48 H new ATOM 150 N GLU A 31 14.082 -4.975 2.110 1.00 0.57 N ATOM 151 CA GLU A 31 15.490 -4.643 2.295 1.00 0.53 C ATOM 152 C GLU A 31 15.980 -3.724 1.179 1.00 0.32 C ATOM 153 O GLU A 31 16.556 -2.672 1.444 1.00 0.55 O ATOM 154 CB GLU A 31 16.338 -5.915 2.349 1.00 0.67 C ATOM 155 CG GLU A 31 16.203 -6.792 1.116 1.00 1.21 C ATOM 156 CD GLU A 31 16.284 -8.269 1.444 1.00 2.01 C ATOM 157 OE1 GLU A 31 17.413 -8.786 1.578 1.00 2.85 O ATOM 158 OE2 GLU A 31 15.219 -8.909 1.567 1.00 2.34 O ATOM 0 H GLU A 31 13.871 -5.971 2.174 1.00 0.57 H new ATOM 0 HA GLU A 31 15.594 -4.116 3.243 1.00 0.53 H new ATOM 0 HB2 GLU A 31 17.385 -5.638 2.474 1.00 0.67 H new ATOM 0 HB3 GLU A 31 16.054 -6.493 3.228 1.00 0.67 H new ATOM 0 HG2 GLU A 31 15.251 -6.583 0.628 1.00 1.21 H new ATOM 0 HG3 GLU A 31 16.989 -6.537 0.405 1.00 1.21 H new ATOM 165 N SER A 32 15.726 -4.112 -0.071 1.00 0.22 N ATOM 166 CA SER A 32 16.128 -3.301 -1.218 1.00 0.47 C ATOM 167 C SER A 32 15.506 -1.910 -1.142 1.00 0.72 C ATOM 168 O SER A 32 15.922 -0.995 -1.851 1.00 1.38 O ATOM 169 CB SER A 32 15.715 -3.973 -2.522 1.00 0.58 C ATOM 170 OG SER A 32 14.366 -4.407 -2.470 1.00 1.23 O ATOM 0 H SER A 32 15.246 -4.979 -0.313 1.00 0.22 H new ATOM 0 HA SER A 32 17.214 -3.205 -1.194 1.00 0.47 H new ATOM 0 HB2 SER A 32 15.844 -3.276 -3.350 1.00 0.58 H new ATOM 0 HB3 SER A 32 16.367 -4.825 -2.718 1.00 0.58 H new ATOM 0 HG SER A 32 14.126 -4.833 -3.319 1.00 1.23 H new ATOM 176 N VAL A 33 14.517 -1.760 -0.270 1.00 0.25 N ATOM 177 CA VAL A 33 13.847 -0.490 -0.083 1.00 0.32 C ATOM 178 C VAL A 33 14.476 0.261 1.090 1.00 0.34 C ATOM 179 O VAL A 33 14.905 1.405 0.954 1.00 0.45 O ATOM 180 CB VAL A 33 12.337 -0.692 0.171 1.00 0.36 C ATOM 181 CG1 VAL A 33 11.652 0.633 0.467 1.00 0.38 C ATOM 182 CG2 VAL A 33 11.688 -1.373 -1.025 1.00 0.48 C ATOM 0 H VAL A 33 14.163 -2.512 0.321 1.00 0.25 H new ATOM 0 HA VAL A 33 13.964 0.096 -0.994 1.00 0.32 H new ATOM 0 HB VAL A 33 12.221 -1.333 1.045 1.00 0.36 H new ATOM 0 HG11 VAL A 33 10.590 0.462 0.642 1.00 0.38 H new ATOM 0 HG12 VAL A 33 12.098 1.083 1.354 1.00 0.38 H new ATOM 0 HG13 VAL A 33 11.776 1.305 -0.382 1.00 0.38 H new ATOM 0 HG21 VAL A 33 10.624 -1.509 -0.833 1.00 0.48 H new ATOM 0 HG22 VAL A 33 11.820 -0.754 -1.912 1.00 0.48 H new ATOM 0 HG23 VAL A 33 12.155 -2.344 -1.188 1.00 0.48 H new ATOM 192 N LYS A 34 14.528 -0.399 2.241 1.00 0.34 N ATOM 193 CA LYS A 34 15.103 0.188 3.449 1.00 0.41 C ATOM 194 C LYS A 34 16.604 0.448 3.288 1.00 0.40 C ATOM 195 O LYS A 34 17.158 1.348 3.920 1.00 0.42 O ATOM 196 CB LYS A 34 14.889 -0.750 4.635 1.00 0.42 C ATOM 197 CG LYS A 34 13.431 -1.082 4.904 1.00 0.44 C ATOM 198 CD LYS A 34 13.286 -2.038 6.078 1.00 0.59 C ATOM 199 CE LYS A 34 14.026 -3.344 5.831 1.00 0.66 C ATOM 200 NZ LYS A 34 13.982 -4.240 7.021 1.00 1.25 N ATOM 0 H LYS A 34 14.176 -1.348 2.365 1.00 0.34 H new ATOM 0 HA LYS A 34 14.601 1.140 3.624 1.00 0.41 H new ATOM 0 HB2 LYS A 34 15.435 -1.676 4.456 1.00 0.42 H new ATOM 0 HB3 LYS A 34 15.318 -0.295 5.528 1.00 0.42 H new ATOM 0 HG2 LYS A 34 12.880 -0.165 5.110 1.00 0.44 H new ATOM 0 HG3 LYS A 34 12.988 -1.527 4.013 1.00 0.44 H new ATOM 0 HD2 LYS A 34 13.671 -1.566 6.982 1.00 0.59 H new ATOM 0 HD3 LYS A 34 12.230 -2.245 6.251 1.00 0.59 H new ATOM 0 HE2 LYS A 34 13.585 -3.855 4.975 1.00 0.66 H new ATOM 0 HE3 LYS A 34 15.064 -3.131 5.575 1.00 0.66 H new ATOM 0 HZ1 LYS A 34 14.438 -5.146 6.791 1.00 1.25 H new ATOM 0 HZ2 LYS A 34 14.485 -3.791 7.813 1.00 1.25 H new ATOM 0 HZ3 LYS A 34 12.992 -4.410 7.291 1.00 1.25 H new ATOM 214 N HIS A 35 17.259 -0.360 2.453 1.00 0.40 N ATOM 215 CA HIS A 35 18.702 -0.234 2.223 1.00 0.41 C ATOM 216 C HIS A 35 19.017 0.857 1.204 1.00 0.40 C ATOM 217 O HIS A 35 20.148 0.966 0.727 1.00 0.41 O ATOM 218 CB HIS A 35 19.279 -1.570 1.749 1.00 0.44 C ATOM 219 CG HIS A 35 20.346 -2.116 2.645 1.00 0.61 C ATOM 220 ND1 HIS A 35 21.332 -2.975 2.209 1.00 1.14 N ATOM 221 CD2 HIS A 35 20.575 -1.928 3.966 1.00 1.10 C ATOM 222 CE1 HIS A 35 22.119 -3.293 3.218 1.00 1.14 C ATOM 223 NE2 HIS A 35 21.682 -2.669 4.297 1.00 1.04 N ATOM 0 H HIS A 35 16.814 -1.110 1.924 1.00 0.40 H new ATOM 0 HA HIS A 35 19.164 0.047 3.169 1.00 0.41 H new ATOM 0 HB2 HIS A 35 18.472 -2.298 1.674 1.00 0.44 H new ATOM 0 HB3 HIS A 35 19.688 -1.444 0.747 1.00 0.44 H new ATOM 0 HD2 HIS A 35 19.995 -1.310 4.635 1.00 1.10 H new ATOM 0 HE1 HIS A 35 22.974 -3.951 3.170 1.00 1.14 H new ATOM 0 HE2 HIS A 35 22.100 -2.728 5.226 1.00 1.04 H new ATOM 231 N VAL A 36 18.009 1.642 0.859 1.00 0.40 N ATOM 232 CA VAL A 36 18.159 2.707 -0.119 1.00 0.42 C ATOM 233 C VAL A 36 17.336 3.926 0.277 1.00 0.41 C ATOM 234 O VAL A 36 17.713 5.063 -0.008 1.00 0.54 O ATOM 235 CB VAL A 36 17.688 2.214 -1.495 1.00 0.45 C ATOM 236 CG1 VAL A 36 18.629 1.140 -2.024 1.00 0.62 C ATOM 237 CG2 VAL A 36 16.274 1.664 -1.387 1.00 0.49 C ATOM 0 H VAL A 36 17.069 1.560 1.247 1.00 0.40 H new ATOM 0 HA VAL A 36 19.211 2.988 -0.160 1.00 0.42 H new ATOM 0 HB VAL A 36 17.694 3.052 -2.192 1.00 0.45 H new ATOM 0 HG11 VAL A 36 18.282 0.801 -3.000 1.00 0.62 H new ATOM 0 HG12 VAL A 36 19.634 1.551 -2.119 1.00 0.62 H new ATOM 0 HG13 VAL A 36 18.646 0.298 -1.332 1.00 0.62 H new ATOM 0 HG21 VAL A 36 15.944 1.315 -2.365 1.00 0.49 H new ATOM 0 HG22 VAL A 36 16.260 0.833 -0.682 1.00 0.49 H new ATOM 0 HG23 VAL A 36 15.604 2.449 -1.036 1.00 0.49 H new ATOM 247 N LEU A 37 16.201 3.680 0.928 1.00 0.29 N ATOM 248 CA LEU A 37 15.315 4.750 1.356 1.00 0.27 C ATOM 249 C LEU A 37 15.668 5.262 2.737 1.00 0.33 C ATOM 250 O LEU A 37 15.829 4.496 3.688 1.00 0.43 O ATOM 251 CB LEU A 37 13.863 4.280 1.359 1.00 0.27 C ATOM 252 CG LEU A 37 12.941 4.955 0.343 1.00 0.24 C ATOM 253 CD1 LEU A 37 13.702 5.344 -0.917 1.00 0.25 C ATOM 254 CD2 LEU A 37 11.770 4.041 0.022 1.00 0.31 C ATOM 0 H LEU A 37 15.876 2.744 1.169 1.00 0.29 H new ATOM 0 HA LEU A 37 15.440 5.564 0.642 1.00 0.27 H new ATOM 0 HB2 LEU A 37 13.849 3.206 1.176 1.00 0.27 H new ATOM 0 HB3 LEU A 37 13.452 4.439 2.356 1.00 0.27 H new ATOM 0 HG LEU A 37 12.553 5.875 0.780 1.00 0.24 H new ATOM 0 HD11 LEU A 37 13.020 5.822 -1.621 1.00 0.25 H new ATOM 0 HD12 LEU A 37 14.502 6.038 -0.659 1.00 0.25 H new ATOM 0 HD13 LEU A 37 14.129 4.451 -1.374 1.00 0.25 H new ATOM 0 HD21 LEU A 37 11.117 4.527 -0.702 1.00 0.31 H new ATOM 0 HD22 LEU A 37 12.142 3.106 -0.396 1.00 0.31 H new ATOM 0 HD23 LEU A 37 11.210 3.833 0.934 1.00 0.31 H new ATOM 266 N PRO A 38 15.772 6.583 2.852 1.00 0.33 N ATOM 267 CA PRO A 38 16.085 7.263 4.108 1.00 0.43 C ATOM 268 C PRO A 38 15.010 6.997 5.163 1.00 0.48 C ATOM 269 O PRO A 38 14.041 6.285 4.901 1.00 1.04 O ATOM 270 CB PRO A 38 16.118 8.740 3.686 1.00 0.44 C ATOM 271 CG PRO A 38 16.385 8.686 2.220 1.00 0.40 C ATOM 272 CD PRO A 38 15.583 7.535 1.751 1.00 0.29 C ATOM 0 HA PRO A 38 17.014 6.928 4.569 1.00 0.43 H new ATOM 0 HB2 PRO A 38 15.173 9.239 3.902 1.00 0.44 H new ATOM 0 HB3 PRO A 38 16.897 9.290 4.214 1.00 0.44 H new ATOM 0 HG2 PRO A 38 16.084 9.610 1.725 1.00 0.40 H new ATOM 0 HG3 PRO A 38 17.446 8.544 2.013 1.00 0.40 H new ATOM 0 HD2 PRO A 38 14.534 7.796 1.609 1.00 0.29 H new ATOM 0 HD3 PRO A 38 15.945 7.142 0.801 1.00 0.29 H new ATOM 280 N SER A 39 15.197 7.543 6.357 1.00 0.48 N ATOM 281 CA SER A 39 14.254 7.334 7.455 1.00 0.47 C ATOM 282 C SER A 39 12.806 7.666 7.072 1.00 0.40 C ATOM 283 O SER A 39 11.986 6.767 6.891 1.00 0.47 O ATOM 284 CB SER A 39 14.677 8.158 8.674 1.00 0.55 C ATOM 285 OG SER A 39 14.347 7.494 9.881 1.00 1.37 O ATOM 0 H SER A 39 15.993 8.135 6.593 1.00 0.48 H new ATOM 0 HA SER A 39 14.281 6.271 7.697 1.00 0.47 H new ATOM 0 HB2 SER A 39 15.751 8.340 8.638 1.00 0.55 H new ATOM 0 HB3 SER A 39 14.187 9.131 8.646 1.00 0.55 H new ATOM 0 HG SER A 39 14.630 8.041 10.643 1.00 1.37 H new ATOM 291 N HIS A 40 12.494 8.954 6.981 1.00 0.30 N ATOM 292 CA HIS A 40 11.137 9.404 6.658 1.00 0.27 C ATOM 293 C HIS A 40 10.618 8.832 5.337 1.00 0.21 C ATOM 294 O HIS A 40 9.414 8.825 5.102 1.00 0.23 O ATOM 295 CB HIS A 40 11.090 10.931 6.624 1.00 0.29 C ATOM 296 CG HIS A 40 9.703 11.488 6.639 1.00 0.33 C ATOM 297 ND1 HIS A 40 8.591 10.744 6.970 1.00 1.01 N ATOM 298 CD2 HIS A 40 9.252 12.729 6.363 1.00 0.87 C ATOM 299 CE1 HIS A 40 7.514 11.506 6.894 1.00 0.79 C ATOM 300 NE2 HIS A 40 7.889 12.718 6.528 1.00 0.57 N ATOM 0 H HIS A 40 13.162 9.711 7.126 1.00 0.30 H new ATOM 0 HA HIS A 40 10.481 9.028 7.443 1.00 0.27 H new ATOM 0 HB2 HIS A 40 11.639 11.322 7.481 1.00 0.29 H new ATOM 0 HB3 HIS A 40 11.604 11.282 5.729 1.00 0.29 H new ATOM 0 HD2 HIS A 40 9.853 13.576 6.067 1.00 0.87 H new ATOM 0 HE1 HIS A 40 6.501 11.191 7.097 1.00 0.79 H new ATOM 0 HE2 HIS A 40 7.268 13.515 6.390 1.00 0.57 H new ATOM 308 N ALA A 41 11.510 8.353 4.478 1.00 0.17 N ATOM 309 CA ALA A 41 11.097 7.792 3.190 1.00 0.15 C ATOM 310 C ALA A 41 10.380 6.465 3.364 1.00 0.16 C ATOM 311 O ALA A 41 9.469 6.134 2.605 1.00 0.32 O ATOM 312 CB ALA A 41 12.300 7.609 2.288 1.00 0.22 C ATOM 0 H ALA A 41 12.516 8.340 4.644 1.00 0.17 H new ATOM 0 HA ALA A 41 10.402 8.496 2.731 1.00 0.15 H new ATOM 0 HB1 ALA A 41 11.979 7.191 1.334 1.00 0.22 H new ATOM 0 HB2 ALA A 41 12.778 8.574 2.119 1.00 0.22 H new ATOM 0 HB3 ALA A 41 13.010 6.930 2.761 1.00 0.22 H new ATOM 318 N GLN A 42 10.797 5.709 4.364 1.00 0.10 N ATOM 319 CA GLN A 42 10.199 4.416 4.643 1.00 0.10 C ATOM 320 C GLN A 42 8.785 4.603 5.172 1.00 0.13 C ATOM 321 O GLN A 42 7.868 3.876 4.792 1.00 0.16 O ATOM 322 CB GLN A 42 11.076 3.667 5.636 1.00 0.13 C ATOM 323 CG GLN A 42 12.531 3.630 5.200 1.00 0.14 C ATOM 324 CD GLN A 42 13.488 3.976 6.325 1.00 0.16 C ATOM 325 OE1 GLN A 42 13.080 4.136 7.473 1.00 0.19 O ATOM 326 NE2 GLN A 42 14.766 4.098 5.995 1.00 0.23 N ATOM 0 H GLN A 42 11.551 5.970 4.999 1.00 0.10 H new ATOM 0 HA GLN A 42 10.133 3.826 3.729 1.00 0.10 H new ATOM 0 HB2 GLN A 42 11.003 4.143 6.614 1.00 0.13 H new ATOM 0 HB3 GLN A 42 10.706 2.648 5.749 1.00 0.13 H new ATOM 0 HG2 GLN A 42 12.767 2.636 4.820 1.00 0.14 H new ATOM 0 HG3 GLN A 42 12.677 4.329 4.376 1.00 0.14 H new ATOM 0 HE21 GLN A 42 15.059 3.956 5.028 1.00 0.23 H new ATOM 0 HE22 GLN A 42 15.456 4.334 6.708 1.00 0.23 H new ATOM 335 N ASP A 43 8.607 5.616 6.016 1.00 0.16 N ATOM 336 CA ASP A 43 7.289 5.930 6.545 1.00 0.22 C ATOM 337 C ASP A 43 6.402 6.337 5.379 1.00 0.20 C ATOM 338 O ASP A 43 5.246 5.932 5.276 1.00 0.23 O ATOM 339 CB ASP A 43 7.380 7.062 7.573 1.00 0.27 C ATOM 340 CG ASP A 43 6.103 7.223 8.376 1.00 0.32 C ATOM 341 OD1 ASP A 43 5.237 6.326 8.302 1.00 0.61 O ATOM 342 OD2 ASP A 43 5.969 8.248 9.076 1.00 0.59 O ATOM 0 H ASP A 43 9.354 6.227 6.344 1.00 0.16 H new ATOM 0 HA ASP A 43 6.869 5.060 7.050 1.00 0.22 H new ATOM 0 HB2 ASP A 43 8.210 6.866 8.252 1.00 0.27 H new ATOM 0 HB3 ASP A 43 7.603 7.997 7.060 1.00 0.27 H new ATOM 347 N ILE A 44 6.997 7.108 4.473 1.00 0.18 N ATOM 348 CA ILE A 44 6.318 7.548 3.264 1.00 0.16 C ATOM 349 C ILE A 44 5.948 6.332 2.438 1.00 0.14 C ATOM 350 O ILE A 44 4.794 6.141 2.052 1.00 0.16 O ATOM 351 CB ILE A 44 7.236 8.465 2.428 1.00 0.16 C ATOM 352 CG1 ILE A 44 7.430 9.793 3.151 1.00 0.22 C ATOM 353 CG2 ILE A 44 6.663 8.695 1.029 1.00 0.17 C ATOM 354 CD1 ILE A 44 8.267 10.787 2.379 1.00 0.26 C ATOM 0 H ILE A 44 7.957 7.442 4.558 1.00 0.18 H new ATOM 0 HA ILE A 44 5.424 8.106 3.543 1.00 0.16 H new ATOM 0 HB ILE A 44 8.202 7.974 2.312 1.00 0.16 H new ATOM 0 HG12 ILE A 44 6.453 10.233 3.353 1.00 0.22 H new ATOM 0 HG13 ILE A 44 7.901 9.606 4.116 1.00 0.22 H new ATOM 0 HG21 ILE A 44 7.332 9.345 0.464 1.00 0.17 H new ATOM 0 HG22 ILE A 44 6.565 7.739 0.514 1.00 0.17 H new ATOM 0 HG23 ILE A 44 5.683 9.165 1.110 1.00 0.17 H new ATOM 0 HD11 ILE A 44 8.362 11.708 2.955 1.00 0.26 H new ATOM 0 HD12 ILE A 44 9.257 10.367 2.200 1.00 0.26 H new ATOM 0 HD13 ILE A 44 7.786 11.004 1.425 1.00 0.26 H new ATOM 366 N TYR A 45 6.954 5.513 2.189 1.00 0.17 N ATOM 367 CA TYR A 45 6.792 4.290 1.423 1.00 0.15 C ATOM 368 C TYR A 45 5.671 3.431 1.998 1.00 0.14 C ATOM 369 O TYR A 45 4.634 3.244 1.367 1.00 0.19 O ATOM 370 CB TYR A 45 8.099 3.506 1.426 1.00 0.16 C ATOM 371 CG TYR A 45 8.114 2.332 0.477 1.00 0.18 C ATOM 372 CD1 TYR A 45 7.245 1.261 0.641 1.00 0.22 C ATOM 373 CD2 TYR A 45 9.000 2.298 -0.585 1.00 0.23 C ATOM 374 CE1 TYR A 45 7.259 0.190 -0.230 1.00 0.27 C ATOM 375 CE2 TYR A 45 9.022 1.231 -1.462 1.00 0.27 C ATOM 376 CZ TYR A 45 8.149 0.179 -1.280 1.00 0.27 C ATOM 377 OH TYR A 45 8.167 -0.887 -2.150 1.00 0.34 O ATOM 0 H TYR A 45 7.907 5.677 2.512 1.00 0.17 H new ATOM 0 HA TYR A 45 6.528 4.556 0.399 1.00 0.15 H new ATOM 0 HB2 TYR A 45 8.915 4.180 1.167 1.00 0.16 H new ATOM 0 HB3 TYR A 45 8.292 3.146 2.436 1.00 0.16 H new ATOM 0 HD1 TYR A 45 6.546 1.266 1.464 1.00 0.22 H new ATOM 0 HD2 TYR A 45 9.686 3.119 -0.731 1.00 0.23 H new ATOM 0 HE1 TYR A 45 6.576 -0.634 -0.088 1.00 0.27 H new ATOM 0 HE2 TYR A 45 9.720 1.221 -2.286 1.00 0.27 H new ATOM 0 HH TYR A 45 8.465 -0.584 -3.033 1.00 0.34 H new ATOM 387 N LYS A 46 5.894 2.906 3.197 1.00 0.15 N ATOM 388 CA LYS A 46 4.913 2.057 3.860 1.00 0.18 C ATOM 389 C LYS A 46 3.523 2.698 3.876 1.00 0.17 C ATOM 390 O LYS A 46 2.541 2.077 3.470 1.00 0.21 O ATOM 391 CB LYS A 46 5.371 1.747 5.288 1.00 0.20 C ATOM 392 CG LYS A 46 4.295 1.110 6.150 1.00 0.23 C ATOM 393 CD LYS A 46 4.771 0.890 7.575 1.00 0.27 C ATOM 394 CE LYS A 46 3.603 0.890 8.550 1.00 0.35 C ATOM 395 NZ LYS A 46 2.545 -0.076 8.149 1.00 1.20 N ATOM 0 H LYS A 46 6.750 3.055 3.732 1.00 0.15 H new ATOM 0 HA LYS A 46 4.838 1.129 3.293 1.00 0.18 H new ATOM 0 HB2 LYS A 46 6.233 1.081 5.247 1.00 0.20 H new ATOM 0 HB3 LYS A 46 5.704 2.670 5.762 1.00 0.20 H new ATOM 0 HG2 LYS A 46 3.410 1.747 6.157 1.00 0.23 H new ATOM 0 HG3 LYS A 46 3.998 0.156 5.715 1.00 0.23 H new ATOM 0 HD2 LYS A 46 5.304 -0.059 7.641 1.00 0.27 H new ATOM 0 HD3 LYS A 46 5.478 1.672 7.850 1.00 0.27 H new ATOM 0 HE2 LYS A 46 3.963 0.640 9.548 1.00 0.35 H new ATOM 0 HE3 LYS A 46 3.177 1.892 8.606 1.00 0.35 H new ATOM 0 HZ1 LYS A 46 2.047 -0.417 8.996 1.00 1.20 H new ATOM 0 HZ2 LYS A 46 1.868 0.394 7.515 1.00 1.20 H new ATOM 0 HZ3 LYS A 46 2.980 -0.882 7.655 1.00 1.20 H new ATOM 409 N GLU A 47 3.441 3.936 4.354 1.00 0.14 N ATOM 410 CA GLU A 47 2.163 4.638 4.428 1.00 0.14 C ATOM 411 C GLU A 47 1.509 4.744 3.057 1.00 0.13 C ATOM 412 O GLU A 47 0.289 4.634 2.935 1.00 0.20 O ATOM 413 CB GLU A 47 2.346 6.031 5.020 1.00 0.15 C ATOM 414 CG GLU A 47 2.835 6.024 6.459 1.00 0.16 C ATOM 415 CD GLU A 47 1.698 6.000 7.460 1.00 1.17 C ATOM 416 OE1 GLU A 47 1.100 7.069 7.707 1.00 2.04 O ATOM 417 OE2 GLU A 47 1.404 4.911 7.999 1.00 1.67 O ATOM 0 H GLU A 47 4.239 4.472 4.694 1.00 0.14 H new ATOM 0 HA GLU A 47 1.509 4.057 5.078 1.00 0.14 H new ATOM 0 HB2 GLU A 47 3.056 6.586 4.407 1.00 0.15 H new ATOM 0 HB3 GLU A 47 1.397 6.565 4.971 1.00 0.15 H new ATOM 0 HG2 GLU A 47 3.473 5.154 6.618 1.00 0.16 H new ATOM 0 HG3 GLU A 47 3.450 6.907 6.634 1.00 0.16 H new ATOM 424 N ALA A 48 2.322 4.946 2.030 1.00 0.12 N ATOM 425 CA ALA A 48 1.805 5.046 0.674 1.00 0.13 C ATOM 426 C ALA A 48 1.403 3.670 0.181 1.00 0.13 C ATOM 427 O ALA A 48 0.378 3.504 -0.479 1.00 0.21 O ATOM 428 CB ALA A 48 2.837 5.682 -0.243 1.00 0.17 C ATOM 0 H ALA A 48 3.334 5.043 2.109 1.00 0.12 H new ATOM 0 HA ALA A 48 0.923 5.686 0.670 1.00 0.13 H new ATOM 0 HB1 ALA A 48 2.434 5.749 -1.253 1.00 0.17 H new ATOM 0 HB2 ALA A 48 3.078 6.682 0.119 1.00 0.17 H new ATOM 0 HB3 ALA A 48 3.740 5.072 -0.253 1.00 0.17 H new ATOM 434 N PHE A 49 2.215 2.677 0.528 1.00 0.11 N ATOM 435 CA PHE A 49 1.939 1.302 0.147 1.00 0.11 C ATOM 436 C PHE A 49 0.617 0.856 0.757 1.00 0.12 C ATOM 437 O PHE A 49 -0.271 0.368 0.056 1.00 0.17 O ATOM 438 CB PHE A 49 3.070 0.380 0.608 1.00 0.13 C ATOM 439 CG PHE A 49 2.819 -1.071 0.307 1.00 0.17 C ATOM 440 CD1 PHE A 49 1.884 -1.798 1.029 1.00 0.24 C ATOM 441 CD2 PHE A 49 3.506 -1.703 -0.715 1.00 0.21 C ATOM 442 CE1 PHE A 49 1.640 -3.125 0.732 1.00 0.31 C ATOM 443 CE2 PHE A 49 3.267 -3.032 -1.009 1.00 0.26 C ATOM 444 CZ PHE A 49 2.332 -3.741 -0.288 1.00 0.30 C ATOM 0 H PHE A 49 3.069 2.802 1.072 1.00 0.11 H new ATOM 0 HA PHE A 49 1.870 1.245 -0.939 1.00 0.11 H new ATOM 0 HB2 PHE A 49 3.998 0.688 0.127 1.00 0.13 H new ATOM 0 HB3 PHE A 49 3.212 0.501 1.682 1.00 0.13 H new ATOM 0 HD1 PHE A 49 1.341 -1.322 1.832 1.00 0.24 H new ATOM 0 HD2 PHE A 49 4.236 -1.152 -1.289 1.00 0.21 H new ATOM 0 HE1 PHE A 49 0.907 -3.679 1.299 1.00 0.31 H new ATOM 0 HE2 PHE A 49 3.814 -3.515 -1.805 1.00 0.26 H new ATOM 0 HZ PHE A 49 2.141 -4.778 -0.522 1.00 0.30 H new ATOM 454 N ASN A 50 0.488 1.033 2.072 1.00 0.16 N ATOM 455 CA ASN A 50 -0.726 0.653 2.787 1.00 0.21 C ATOM 456 C ASN A 50 -1.964 1.211 2.094 1.00 0.22 C ATOM 457 O ASN A 50 -2.944 0.497 1.885 1.00 0.28 O ATOM 458 CB ASN A 50 -0.674 1.162 4.229 1.00 0.27 C ATOM 459 CG ASN A 50 0.488 0.578 5.010 1.00 0.31 C ATOM 460 OD1 ASN A 50 1.297 1.310 5.580 1.00 0.89 O ATOM 461 ND2 ASN A 50 0.574 -0.746 5.039 1.00 0.61 N ATOM 0 H ASN A 50 1.213 1.439 2.664 1.00 0.16 H new ATOM 0 HA ASN A 50 -0.787 -0.435 2.789 1.00 0.21 H new ATOM 0 HB2 ASN A 50 -0.595 2.249 4.224 1.00 0.27 H new ATOM 0 HB3 ASN A 50 -1.608 0.913 4.733 1.00 0.27 H new ATOM 0 HD21 ASN A 50 1.334 -1.197 5.549 1.00 0.61 H new ATOM 0 HD22 ASN A 50 -0.120 -1.313 4.552 1.00 0.61 H new ATOM 468 N SER A 51 -1.909 2.490 1.734 1.00 0.23 N ATOM 469 CA SER A 51 -3.027 3.135 1.060 1.00 0.27 C ATOM 470 C SER A 51 -3.391 2.376 -0.210 1.00 0.25 C ATOM 471 O SER A 51 -4.560 2.087 -0.460 1.00 0.29 O ATOM 472 CB SER A 51 -2.681 4.586 0.722 1.00 0.32 C ATOM 473 OG SER A 51 -3.823 5.421 0.827 1.00 0.45 O ATOM 0 H SER A 51 -1.105 3.096 1.898 1.00 0.23 H new ATOM 0 HA SER A 51 -3.885 3.126 1.732 1.00 0.27 H new ATOM 0 HB2 SER A 51 -1.902 4.944 1.395 1.00 0.32 H new ATOM 0 HB3 SER A 51 -2.278 4.641 -0.289 1.00 0.32 H new ATOM 0 HG SER A 51 -3.575 6.343 0.608 1.00 0.45 H new ATOM 479 N ALA A 52 -2.378 2.034 -0.995 1.00 0.23 N ATOM 480 CA ALA A 52 -2.594 1.286 -2.224 1.00 0.23 C ATOM 481 C ALA A 52 -3.043 -0.132 -1.904 1.00 0.24 C ATOM 482 O ALA A 52 -3.796 -0.746 -2.660 1.00 0.31 O ATOM 483 CB ALA A 52 -1.329 1.269 -3.065 1.00 0.21 C ATOM 0 H ALA A 52 -1.403 2.262 -0.803 1.00 0.23 H new ATOM 0 HA ALA A 52 -3.380 1.777 -2.798 1.00 0.23 H new ATOM 0 HB1 ALA A 52 -1.508 0.705 -3.981 1.00 0.21 H new ATOM 0 HB2 ALA A 52 -1.046 2.291 -3.318 1.00 0.21 H new ATOM 0 HB3 ALA A 52 -0.524 0.799 -2.501 1.00 0.21 H new ATOM 489 N TRP A 53 -2.583 -0.641 -0.765 1.00 0.21 N ATOM 490 CA TRP A 53 -2.940 -1.980 -0.322 1.00 0.25 C ATOM 491 C TRP A 53 -4.431 -2.037 0.010 1.00 0.30 C ATOM 492 O TRP A 53 -5.153 -2.900 -0.490 1.00 0.34 O ATOM 493 CB TRP A 53 -2.081 -2.366 0.892 1.00 0.27 C ATOM 494 CG TRP A 53 -2.618 -3.510 1.704 1.00 0.36 C ATOM 495 CD1 TRP A 53 -2.261 -4.824 1.600 1.00 0.46 C ATOM 496 CD2 TRP A 53 -3.592 -3.443 2.753 1.00 0.44 C ATOM 497 NE1 TRP A 53 -2.961 -5.578 2.508 1.00 0.55 N ATOM 498 CE2 TRP A 53 -3.783 -4.754 3.228 1.00 0.53 C ATOM 499 CE3 TRP A 53 -4.324 -2.404 3.333 1.00 0.51 C ATOM 500 CZ2 TRP A 53 -4.676 -5.053 4.255 1.00 0.63 C ATOM 501 CZ3 TRP A 53 -5.209 -2.702 4.353 1.00 0.63 C ATOM 502 CH2 TRP A 53 -5.379 -4.017 4.805 1.00 0.67 C ATOM 0 H TRP A 53 -1.959 -0.142 -0.131 1.00 0.21 H new ATOM 0 HA TRP A 53 -2.746 -2.697 -1.120 1.00 0.25 H new ATOM 0 HB2 TRP A 53 -1.080 -2.623 0.545 1.00 0.27 H new ATOM 0 HB3 TRP A 53 -1.979 -1.495 1.539 1.00 0.27 H new ATOM 0 HD1 TRP A 53 -1.533 -5.213 0.904 1.00 0.46 H new ATOM 0 HE1 TRP A 53 -2.882 -6.588 2.627 1.00 0.55 H new ATOM 0 HE3 TRP A 53 -4.201 -1.387 2.991 1.00 0.51 H new ATOM 0 HZ2 TRP A 53 -4.808 -6.066 4.604 1.00 0.63 H new ATOM 0 HZ3 TRP A 53 -5.779 -1.907 4.809 1.00 0.63 H new ATOM 0 HH2 TRP A 53 -6.079 -4.216 5.603 1.00 0.67 H new ATOM 513 N ASP A 54 -4.886 -1.109 0.850 1.00 0.33 N ATOM 514 CA ASP A 54 -6.292 -1.048 1.242 1.00 0.40 C ATOM 515 C ASP A 54 -7.167 -0.625 0.065 1.00 0.40 C ATOM 516 O ASP A 54 -8.327 -1.020 -0.032 1.00 0.48 O ATOM 517 CB ASP A 54 -6.477 -0.075 2.408 1.00 0.43 C ATOM 518 CG ASP A 54 -7.919 0.010 2.869 1.00 0.49 C ATOM 519 OD1 ASP A 54 -8.674 -0.954 2.629 1.00 0.86 O ATOM 520 OD2 ASP A 54 -8.291 1.040 3.470 1.00 1.17 O ATOM 0 H ASP A 54 -4.300 -0.389 1.272 1.00 0.33 H new ATOM 0 HA ASP A 54 -6.599 -2.045 1.559 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -5.850 -0.389 3.242 1.00 0.43 H new ATOM 0 HB3 ASP A 54 -6.136 0.916 2.108 1.00 0.43 H new ATOM 525 N GLN A 55 -6.599 0.178 -0.829 1.00 0.38 N ATOM 526 CA GLN A 55 -7.332 0.644 -1.995 1.00 0.45 C ATOM 527 C GLN A 55 -7.615 -0.518 -2.934 1.00 0.49 C ATOM 528 O GLN A 55 -8.554 -0.485 -3.729 1.00 0.59 O ATOM 529 CB GLN A 55 -6.542 1.730 -2.726 1.00 0.49 C ATOM 530 CG GLN A 55 -6.754 3.120 -2.154 1.00 0.52 C ATOM 531 CD GLN A 55 -6.637 4.209 -3.204 1.00 0.59 C ATOM 532 OE1 GLN A 55 -7.563 4.442 -3.981 1.00 0.68 O ATOM 533 NE2 GLN A 55 -5.493 4.884 -3.230 1.00 0.59 N ATOM 0 H GLN A 55 -5.639 0.517 -0.767 1.00 0.38 H new ATOM 0 HA GLN A 55 -8.279 1.069 -1.662 1.00 0.45 H new ATOM 0 HB2 GLN A 55 -5.480 1.486 -2.684 1.00 0.49 H new ATOM 0 HB3 GLN A 55 -6.828 1.731 -3.778 1.00 0.49 H new ATOM 0 HG2 GLN A 55 -7.739 3.172 -1.691 1.00 0.52 H new ATOM 0 HG3 GLN A 55 -6.022 3.300 -1.367 1.00 0.52 H new ATOM 0 HE21 GLN A 55 -4.752 4.657 -2.567 1.00 0.59 H new ATOM 0 HE22 GLN A 55 -5.356 5.629 -3.913 1.00 0.59 H new ATOM 542 N TYR A 56 -6.791 -1.547 -2.822 1.00 0.44 N ATOM 543 CA TYR A 56 -6.928 -2.741 -3.640 1.00 0.52 C ATOM 544 C TYR A 56 -8.029 -3.658 -3.107 1.00 0.68 C ATOM 545 O TYR A 56 -7.797 -4.837 -2.844 1.00 0.79 O ATOM 546 CB TYR A 56 -5.601 -3.485 -3.695 1.00 0.49 C ATOM 547 CG TYR A 56 -5.127 -3.724 -5.098 1.00 0.35 C ATOM 548 CD1 TYR A 56 -5.673 -4.744 -5.845 1.00 0.38 C ATOM 549 CD2 TYR A 56 -4.147 -2.936 -5.674 1.00 0.29 C ATOM 550 CE1 TYR A 56 -5.256 -4.983 -7.135 1.00 0.34 C ATOM 551 CE2 TYR A 56 -3.724 -3.167 -6.965 1.00 0.26 C ATOM 552 CZ TYR A 56 -4.281 -4.193 -7.692 1.00 0.26 C ATOM 553 OH TYR A 56 -3.859 -4.427 -8.983 1.00 0.35 O ATOM 0 H TYR A 56 -6.012 -1.579 -2.165 1.00 0.44 H new ATOM 0 HA TYR A 56 -7.211 -2.434 -4.647 1.00 0.52 H new ATOM 0 HB2 TYR A 56 -4.847 -2.914 -3.154 1.00 0.49 H new ATOM 0 HB3 TYR A 56 -5.704 -4.442 -3.183 1.00 0.49 H new ATOM 0 HD1 TYR A 56 -6.441 -5.367 -5.411 1.00 0.38 H new ATOM 0 HD2 TYR A 56 -3.708 -2.130 -5.105 1.00 0.29 H new ATOM 0 HE1 TYR A 56 -5.694 -5.788 -7.706 1.00 0.34 H new ATOM 0 HE2 TYR A 56 -2.958 -2.545 -7.404 1.00 0.26 H new ATOM 0 HH TYR A 56 -3.874 -3.588 -9.489 1.00 0.35 H new ATOM 563 N LYS A 57 -9.232 -3.112 -2.964 1.00 0.76 N ATOM 564 CA LYS A 57 -10.369 -3.886 -2.481 1.00 0.95 C ATOM 565 C LYS A 57 -11.147 -4.488 -3.650 1.00 1.08 C ATOM 566 O LYS A 57 -12.254 -4.995 -3.479 1.00 1.26 O ATOM 567 CB LYS A 57 -11.287 -3.006 -1.634 1.00 1.01 C ATOM 568 CG LYS A 57 -10.788 -2.795 -0.213 1.00 0.94 C ATOM 569 CD LYS A 57 -11.775 -3.327 0.817 1.00 1.21 C ATOM 570 CE LYS A 57 -11.292 -4.631 1.434 1.00 2.33 C ATOM 571 NZ LYS A 57 -12.084 -4.999 2.642 1.00 3.35 N ATOM 0 H LYS A 57 -9.444 -2.137 -3.176 1.00 0.76 H new ATOM 0 HA LYS A 57 -9.992 -4.700 -1.862 1.00 0.95 H new ATOM 0 HB2 LYS A 57 -11.396 -2.036 -2.120 1.00 1.01 H new ATOM 0 HB3 LYS A 57 -12.278 -3.458 -1.599 1.00 1.01 H new ATOM 0 HG2 LYS A 57 -9.827 -3.294 -0.087 1.00 0.94 H new ATOM 0 HG3 LYS A 57 -10.620 -1.732 -0.041 1.00 0.94 H new ATOM 0 HD2 LYS A 57 -11.919 -2.584 1.601 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -12.745 -3.484 0.345 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -11.362 -5.430 0.696 1.00 2.33 H new ATOM 0 HE3 LYS A 57 -10.240 -4.538 1.704 1.00 2.33 H new ATOM 0 HZ1 LYS A 57 -11.725 -5.893 3.034 1.00 3.35 H new ATOM 0 HZ2 LYS A 57 -11.997 -4.248 3.356 1.00 3.35 H new ATOM 0 HZ3 LYS A 57 -13.084 -5.113 2.380 1.00 3.35 H new ATOM 718 N ALA A 66 -1.347 -10.892 -5.079 1.00 0.47 N ATOM 719 CA ALA A 66 0.036 -10.448 -5.218 1.00 0.50 C ATOM 720 C ALA A 66 0.079 -9.131 -5.973 1.00 0.44 C ATOM 721 O ALA A 66 0.872 -8.243 -5.657 1.00 0.45 O ATOM 722 CB ALA A 66 0.873 -11.493 -5.934 1.00 0.63 C ATOM 0 HA ALA A 66 0.456 -10.305 -4.222 1.00 0.50 H new ATOM 0 HB1 ALA A 66 1.899 -11.137 -6.025 1.00 0.63 H new ATOM 0 HB2 ALA A 66 0.860 -12.422 -5.365 1.00 0.63 H new ATOM 0 HB3 ALA A 66 0.461 -11.670 -6.928 1.00 0.63 H new ATOM 728 N SER A 67 -0.801 -9.005 -6.960 1.00 0.41 N ATOM 729 CA SER A 67 -0.897 -7.788 -7.750 1.00 0.40 C ATOM 730 C SER A 67 -1.124 -6.607 -6.826 1.00 0.32 C ATOM 731 O SER A 67 -0.528 -5.545 -6.987 1.00 0.36 O ATOM 732 CB SER A 67 -2.042 -7.902 -8.743 1.00 0.39 C ATOM 733 OG SER A 67 -1.990 -6.872 -9.716 1.00 0.44 O ATOM 0 H SER A 67 -1.460 -9.735 -7.231 1.00 0.41 H new ATOM 0 HA SER A 67 0.031 -7.640 -8.303 1.00 0.40 H new ATOM 0 HB2 SER A 67 -2.002 -8.873 -9.237 1.00 0.39 H new ATOM 0 HB3 SER A 67 -2.992 -7.854 -8.211 1.00 0.39 H new ATOM 0 HG SER A 67 -2.571 -6.132 -9.441 1.00 0.44 H new ATOM 739 N ARG A 68 -1.972 -6.828 -5.829 1.00 0.28 N ATOM 740 CA ARG A 68 -2.257 -5.803 -4.833 1.00 0.24 C ATOM 741 C ARG A 68 -0.944 -5.358 -4.210 1.00 0.22 C ATOM 742 O ARG A 68 -0.538 -4.203 -4.334 1.00 0.29 O ATOM 743 CB ARG A 68 -3.201 -6.341 -3.756 1.00 0.25 C ATOM 744 CG ARG A 68 -3.452 -5.366 -2.615 1.00 0.40 C ATOM 745 CD ARG A 68 -2.442 -5.537 -1.491 1.00 0.67 C ATOM 746 NE ARG A 68 -2.641 -6.791 -0.763 1.00 1.77 N ATOM 747 CZ ARG A 68 -1.676 -7.442 -0.117 1.00 2.72 C ATOM 748 NH1 ARG A 68 -0.438 -6.963 -0.094 1.00 3.09 N ATOM 749 NH2 ARG A 68 -1.950 -8.574 0.517 1.00 3.77 N ATOM 0 H ARG A 68 -2.473 -7.705 -5.689 1.00 0.28 H new ATOM 0 HA ARG A 68 -2.749 -4.956 -5.311 1.00 0.24 H new ATOM 0 HB2 ARG A 68 -4.154 -6.598 -4.218 1.00 0.25 H new ATOM 0 HB3 ARG A 68 -2.785 -7.262 -3.349 1.00 0.25 H new ATOM 0 HG2 ARG A 68 -3.405 -4.345 -2.993 1.00 0.40 H new ATOM 0 HG3 ARG A 68 -4.459 -5.515 -2.225 1.00 0.40 H new ATOM 0 HD2 ARG A 68 -1.433 -5.513 -1.903 1.00 0.67 H new ATOM 0 HD3 ARG A 68 -2.524 -4.699 -0.799 1.00 0.67 H new ATOM 0 HE ARG A 68 -3.579 -7.192 -0.750 1.00 1.77 H new ATOM 0 HH11 ARG A 68 -0.220 -6.090 -0.574 1.00 3.09 H new ATOM 0 HH12 ARG A 68 0.295 -7.468 0.403 1.00 3.09 H new ATOM 0 HH21 ARG A 68 -2.900 -8.946 0.510 1.00 3.77 H new ATOM 0 HH22 ARG A 68 -1.211 -9.073 1.012 1.00 3.77 H new ATOM 763 N GLU A 69 -0.269 -6.302 -3.554 1.00 0.22 N ATOM 764 CA GLU A 69 1.012 -6.032 -2.935 1.00 0.21 C ATOM 765 C GLU A 69 1.922 -5.344 -3.941 1.00 0.19 C ATOM 766 O GLU A 69 2.454 -4.266 -3.682 1.00 0.22 O ATOM 767 CB GLU A 69 1.642 -7.334 -2.440 1.00 0.27 C ATOM 768 CG GLU A 69 2.984 -7.140 -1.771 1.00 0.28 C ATOM 769 CD GLU A 69 3.444 -8.368 -1.012 1.00 0.36 C ATOM 770 OE1 GLU A 69 3.644 -9.422 -1.651 1.00 0.79 O ATOM 771 OE2 GLU A 69 3.604 -8.277 0.224 1.00 0.43 O ATOM 0 H GLU A 69 -0.597 -7.261 -3.442 1.00 0.22 H new ATOM 0 HA GLU A 69 0.871 -5.375 -2.077 1.00 0.21 H new ATOM 0 HB2 GLU A 69 0.961 -7.813 -1.737 1.00 0.27 H new ATOM 0 HB3 GLU A 69 1.761 -8.014 -3.283 1.00 0.27 H new ATOM 0 HG2 GLU A 69 3.728 -6.885 -2.526 1.00 0.28 H new ATOM 0 HG3 GLU A 69 2.924 -6.295 -1.085 1.00 0.28 H new ATOM 778 N GLU A 70 2.067 -5.970 -5.107 1.00 0.27 N ATOM 779 CA GLU A 70 2.883 -5.418 -6.179 1.00 0.29 C ATOM 780 C GLU A 70 2.520 -3.960 -6.423 1.00 0.27 C ATOM 781 O GLU A 70 3.348 -3.068 -6.255 1.00 0.28 O ATOM 782 CB GLU A 70 2.686 -6.230 -7.459 1.00 0.35 C ATOM 783 CG GLU A 70 3.808 -6.058 -8.468 1.00 0.42 C ATOM 784 CD GLU A 70 4.931 -7.056 -8.269 1.00 0.64 C ATOM 785 OE1 GLU A 70 4.637 -8.264 -8.146 1.00 1.27 O ATOM 786 OE2 GLU A 70 6.105 -6.631 -8.237 1.00 1.11 O ATOM 0 H GLU A 70 1.627 -6.863 -5.331 1.00 0.27 H new ATOM 0 HA GLU A 70 3.931 -5.472 -5.884 1.00 0.29 H new ATOM 0 HB2 GLU A 70 2.600 -7.285 -7.200 1.00 0.35 H new ATOM 0 HB3 GLU A 70 1.744 -5.938 -7.923 1.00 0.35 H new ATOM 0 HG2 GLU A 70 3.405 -6.166 -9.475 1.00 0.42 H new ATOM 0 HG3 GLU A 70 4.208 -5.047 -8.392 1.00 0.42 H new ATOM 793 N THR A 71 1.274 -3.717 -6.818 1.00 0.27 N ATOM 794 CA THR A 71 0.818 -2.355 -7.076 1.00 0.27 C ATOM 795 C THR A 71 1.158 -1.445 -5.906 1.00 0.23 C ATOM 796 O THR A 71 1.732 -0.371 -6.092 1.00 0.28 O ATOM 797 CB THR A 71 -0.686 -2.316 -7.332 1.00 0.28 C ATOM 798 OG1 THR A 71 -1.007 -3.025 -8.521 1.00 0.35 O ATOM 799 CG2 THR A 71 -1.224 -0.902 -7.463 1.00 0.31 C ATOM 0 H THR A 71 0.568 -4.438 -6.965 1.00 0.27 H new ATOM 0 HA THR A 71 1.333 -2.000 -7.969 1.00 0.27 H new ATOM 0 HB THR A 71 -1.152 -2.783 -6.464 1.00 0.28 H new ATOM 0 HG1 THR A 71 -1.929 -3.353 -8.468 1.00 0.35 H new ATOM 0 HG21 THR A 71 -2.298 -0.937 -7.644 1.00 0.31 H new ATOM 0 HG22 THR A 71 -1.029 -0.352 -6.543 1.00 0.31 H new ATOM 0 HG23 THR A 71 -0.732 -0.401 -8.297 1.00 0.31 H new ATOM 807 N ALA A 72 0.821 -1.883 -4.696 1.00 0.16 N ATOM 808 CA ALA A 72 1.119 -1.097 -3.509 1.00 0.15 C ATOM 809 C ALA A 72 2.586 -0.683 -3.543 1.00 0.17 C ATOM 810 O ALA A 72 2.925 0.474 -3.292 1.00 0.23 O ATOM 811 CB ALA A 72 0.780 -1.875 -2.246 1.00 0.16 C ATOM 0 H ALA A 72 0.347 -2.768 -4.515 1.00 0.16 H new ATOM 0 HA ALA A 72 0.503 -0.198 -3.499 1.00 0.15 H new ATOM 0 HB1 ALA A 72 1.011 -1.267 -1.371 1.00 0.16 H new ATOM 0 HB2 ALA A 72 -0.281 -2.123 -2.245 1.00 0.16 H new ATOM 0 HB3 ALA A 72 1.367 -2.793 -2.216 1.00 0.16 H new ATOM 817 N HIS A 73 3.447 -1.633 -3.910 1.00 0.17 N ATOM 818 CA HIS A 73 4.873 -1.353 -4.038 1.00 0.23 C ATOM 819 C HIS A 73 5.051 -0.190 -5.013 1.00 0.25 C ATOM 820 O HIS A 73 5.756 0.779 -4.728 1.00 0.32 O ATOM 821 CB HIS A 73 5.636 -2.578 -4.561 1.00 0.27 C ATOM 822 CG HIS A 73 5.978 -3.593 -3.513 1.00 0.28 C ATOM 823 ND1 HIS A 73 7.135 -3.544 -2.766 1.00 0.33 N ATOM 824 CD2 HIS A 73 5.323 -4.710 -3.110 1.00 0.28 C ATOM 825 CE1 HIS A 73 7.179 -4.582 -1.952 1.00 0.35 C ATOM 826 NE2 HIS A 73 6.091 -5.305 -2.140 1.00 0.31 N ATOM 0 H HIS A 73 3.182 -2.595 -4.122 1.00 0.17 H new ATOM 0 HA HIS A 73 5.274 -1.101 -3.056 1.00 0.23 H new ATOM 0 HB2 HIS A 73 5.037 -3.060 -5.334 1.00 0.27 H new ATOM 0 HB3 HIS A 73 6.557 -2.241 -5.036 1.00 0.27 H new ATOM 0 HD1 HIS A 73 7.848 -2.817 -2.832 1.00 0.33 H new ATOM 0 HD2 HIS A 73 4.374 -5.065 -3.483 1.00 0.28 H new ATOM 0 HE1 HIS A 73 7.971 -4.802 -1.251 1.00 0.35 H new ATOM 834 N LYS A 74 4.392 -0.305 -6.166 1.00 0.23 N ATOM 835 CA LYS A 74 4.445 0.719 -7.203 1.00 0.28 C ATOM 836 C LYS A 74 3.947 2.059 -6.678 1.00 0.31 C ATOM 837 O LYS A 74 4.523 3.105 -6.976 1.00 0.54 O ATOM 838 CB LYS A 74 3.613 0.282 -8.411 1.00 0.37 C ATOM 839 CG LYS A 74 4.293 -0.778 -9.264 1.00 0.58 C ATOM 840 CD LYS A 74 3.613 -2.131 -9.128 1.00 0.64 C ATOM 841 CE LYS A 74 2.523 -2.318 -10.171 1.00 1.29 C ATOM 842 NZ LYS A 74 2.997 -3.122 -11.331 1.00 1.78 N ATOM 0 H LYS A 74 3.810 -1.108 -6.404 1.00 0.23 H new ATOM 0 HA LYS A 74 5.484 0.842 -7.508 1.00 0.28 H new ATOM 0 HB2 LYS A 74 2.655 -0.103 -8.062 1.00 0.37 H new ATOM 0 HB3 LYS A 74 3.400 1.154 -9.030 1.00 0.37 H new ATOM 0 HG2 LYS A 74 4.280 -0.468 -10.309 1.00 0.58 H new ATOM 0 HG3 LYS A 74 5.339 -0.865 -8.970 1.00 0.58 H new ATOM 0 HD2 LYS A 74 4.355 -2.923 -9.230 1.00 0.64 H new ATOM 0 HD3 LYS A 74 3.183 -2.224 -8.131 1.00 0.64 H new ATOM 0 HE2 LYS A 74 1.664 -2.810 -9.715 1.00 1.29 H new ATOM 0 HE3 LYS A 74 2.183 -1.343 -10.520 1.00 1.29 H new ATOM 0 HZ1 LYS A 74 2.225 -3.227 -12.020 1.00 1.78 H new ATOM 0 HZ2 LYS A 74 3.800 -2.640 -11.782 1.00 1.78 H new ATOM 0 HZ3 LYS A 74 3.298 -4.062 -11.002 1.00 1.78 H new ATOM 856 N VAL A 75 2.877 2.022 -5.892 1.00 0.21 N ATOM 857 CA VAL A 75 2.311 3.236 -5.326 1.00 0.21 C ATOM 858 C VAL A 75 3.249 3.836 -4.290 1.00 0.21 C ATOM 859 O VAL A 75 3.665 4.988 -4.404 1.00 0.29 O ATOM 860 CB VAL A 75 0.947 2.964 -4.680 1.00 0.20 C ATOM 861 CG1 VAL A 75 0.336 4.252 -4.142 1.00 0.24 C ATOM 862 CG2 VAL A 75 0.037 2.305 -5.697 1.00 0.21 C ATOM 0 H VAL A 75 2.387 1.166 -5.634 1.00 0.21 H new ATOM 0 HA VAL A 75 2.177 3.944 -6.144 1.00 0.21 H new ATOM 0 HB VAL A 75 1.075 2.290 -3.833 1.00 0.20 H new ATOM 0 HG11 VAL A 75 -0.631 4.034 -3.688 1.00 0.24 H new ATOM 0 HG12 VAL A 75 0.999 4.684 -3.393 1.00 0.24 H new ATOM 0 HG13 VAL A 75 0.202 4.960 -4.960 1.00 0.24 H new ATOM 0 HG21 VAL A 75 -0.934 2.109 -5.243 1.00 0.21 H new ATOM 0 HG22 VAL A 75 -0.090 2.966 -6.554 1.00 0.21 H new ATOM 0 HG23 VAL A 75 0.480 1.365 -6.026 1.00 0.21 H new ATOM 872 N ALA A 76 3.577 3.046 -3.272 1.00 0.14 N ATOM 873 CA ALA A 76 4.467 3.501 -2.213 1.00 0.16 C ATOM 874 C ALA A 76 5.699 4.176 -2.793 1.00 0.19 C ATOM 875 O ALA A 76 6.097 5.253 -2.351 1.00 0.24 O ATOM 876 CB ALA A 76 4.864 2.346 -1.315 1.00 0.16 C ATOM 0 H ALA A 76 3.240 2.090 -3.159 1.00 0.14 H new ATOM 0 HA ALA A 76 3.930 4.235 -1.612 1.00 0.16 H new ATOM 0 HB1 ALA A 76 5.529 2.707 -0.530 1.00 0.16 H new ATOM 0 HB2 ALA A 76 3.972 1.913 -0.863 1.00 0.16 H new ATOM 0 HB3 ALA A 76 5.377 1.586 -1.905 1.00 0.16 H new ATOM 882 N TRP A 77 6.285 3.545 -3.800 1.00 0.18 N ATOM 883 CA TRP A 77 7.455 4.105 -4.451 1.00 0.23 C ATOM 884 C TRP A 77 7.107 5.471 -5.024 1.00 0.26 C ATOM 885 O TRP A 77 7.859 6.427 -4.867 1.00 0.30 O ATOM 886 CB TRP A 77 7.967 3.178 -5.549 1.00 0.26 C ATOM 887 CG TRP A 77 9.032 2.243 -5.073 1.00 0.25 C ATOM 888 CD1 TRP A 77 8.925 0.895 -4.959 1.00 0.32 C ATOM 889 CD2 TRP A 77 10.355 2.580 -4.639 1.00 0.29 C ATOM 890 NE1 TRP A 77 10.102 0.360 -4.492 1.00 0.32 N ATOM 891 CE2 TRP A 77 10.995 1.376 -4.286 1.00 0.30 C ATOM 892 CE3 TRP A 77 11.060 3.778 -4.516 1.00 0.43 C ATOM 893 CZ2 TRP A 77 12.307 1.338 -3.822 1.00 0.38 C ATOM 894 CZ3 TRP A 77 12.361 3.739 -4.053 1.00 0.54 C ATOM 895 CH2 TRP A 77 12.974 2.526 -3.710 1.00 0.50 C ATOM 0 H TRP A 77 5.971 2.652 -4.180 1.00 0.18 H new ATOM 0 HA TRP A 77 8.251 4.214 -3.714 1.00 0.23 H new ATOM 0 HB2 TRP A 77 7.133 2.599 -5.946 1.00 0.26 H new ATOM 0 HB3 TRP A 77 8.358 3.778 -6.371 1.00 0.26 H new ATOM 0 HD1 TRP A 77 8.041 0.324 -5.201 1.00 0.32 H new ATOM 0 HE1 TRP A 77 10.280 -0.631 -4.326 1.00 0.32 H new ATOM 0 HE3 TRP A 77 10.597 4.718 -4.778 1.00 0.43 H new ATOM 0 HZ2 TRP A 77 12.781 0.404 -3.560 1.00 0.38 H new ATOM 0 HZ3 TRP A 77 12.916 4.660 -3.953 1.00 0.54 H new ATOM 0 HH2 TRP A 77 13.992 2.530 -3.350 1.00 0.50 H new ATOM 906 N ALA A 78 5.944 5.561 -5.670 1.00 0.24 N ATOM 907 CA ALA A 78 5.483 6.824 -6.241 1.00 0.27 C ATOM 908 C ALA A 78 5.592 7.937 -5.202 1.00 0.29 C ATOM 909 O ALA A 78 6.097 9.023 -5.489 1.00 0.39 O ATOM 910 CB ALA A 78 4.051 6.693 -6.743 1.00 0.27 C ATOM 0 H ALA A 78 5.307 4.777 -5.810 1.00 0.24 H new ATOM 0 HA ALA A 78 6.117 7.078 -7.091 1.00 0.27 H new ATOM 0 HB1 ALA A 78 3.725 7.644 -7.165 1.00 0.27 H new ATOM 0 HB2 ALA A 78 4.004 5.920 -7.510 1.00 0.27 H new ATOM 0 HB3 ALA A 78 3.398 6.421 -5.914 1.00 0.27 H new ATOM 916 N ALA A 79 5.148 7.639 -3.983 1.00 0.24 N ATOM 917 CA ALA A 79 5.225 8.585 -2.885 1.00 0.24 C ATOM 918 C ALA A 79 6.681 8.861 -2.573 1.00 0.25 C ATOM 919 O ALA A 79 7.090 10.009 -2.395 1.00 0.32 O ATOM 920 CB ALA A 79 4.506 8.028 -1.667 1.00 0.23 C ATOM 0 H ALA A 79 4.729 6.742 -3.735 1.00 0.24 H new ATOM 0 HA ALA A 79 4.738 9.519 -3.165 1.00 0.24 H new ATOM 0 HB1 ALA A 79 4.569 8.745 -0.848 1.00 0.23 H new ATOM 0 HB2 ALA A 79 3.459 7.849 -1.913 1.00 0.23 H new ATOM 0 HB3 ALA A 79 4.974 7.091 -1.366 1.00 0.23 H new ATOM 926 N VAL A 80 7.464 7.789 -2.528 1.00 0.21 N ATOM 927 CA VAL A 80 8.876 7.892 -2.261 1.00 0.22 C ATOM 928 C VAL A 80 9.560 8.746 -3.328 1.00 0.26 C ATOM 929 O VAL A 80 10.289 9.675 -3.005 1.00 0.31 O ATOM 930 CB VAL A 80 9.524 6.498 -2.180 1.00 0.19 C ATOM 931 CG1 VAL A 80 11.028 6.625 -2.052 1.00 0.19 C ATOM 932 CG2 VAL A 80 8.953 5.734 -0.997 1.00 0.20 C ATOM 0 H VAL A 80 7.132 6.836 -2.676 1.00 0.21 H new ATOM 0 HA VAL A 80 9.006 8.379 -1.294 1.00 0.22 H new ATOM 0 HB VAL A 80 9.302 5.949 -3.095 1.00 0.19 H new ATOM 0 HG11 VAL A 80 11.474 5.632 -1.996 1.00 0.19 H new ATOM 0 HG12 VAL A 80 11.424 7.152 -2.920 1.00 0.19 H new ATOM 0 HG13 VAL A 80 11.270 7.183 -1.148 1.00 0.19 H new ATOM 0 HG21 VAL A 80 9.415 4.748 -0.944 1.00 0.20 H new ATOM 0 HG22 VAL A 80 9.159 6.281 -0.077 1.00 0.20 H new ATOM 0 HG23 VAL A 80 7.876 5.624 -1.121 1.00 0.20 H new ATOM 942 N LYS A 81 9.317 8.437 -4.598 1.00 0.25 N ATOM 943 CA LYS A 81 9.914 9.196 -5.694 1.00 0.31 C ATOM 944 C LYS A 81 9.411 10.641 -5.710 1.00 0.40 C ATOM 945 O LYS A 81 9.990 11.502 -6.372 1.00 0.66 O ATOM 946 CB LYS A 81 9.600 8.527 -7.031 1.00 0.36 C ATOM 947 CG LYS A 81 10.241 7.160 -7.192 1.00 0.45 C ATOM 948 CD LYS A 81 9.816 6.485 -8.488 1.00 0.73 C ATOM 949 CE LYS A 81 10.154 5.002 -8.479 1.00 0.68 C ATOM 950 NZ LYS A 81 9.984 4.382 -9.822 1.00 1.55 N ATOM 0 H LYS A 81 8.714 7.670 -4.894 1.00 0.25 H new ATOM 0 HA LYS A 81 10.993 9.211 -5.539 1.00 0.31 H new ATOM 0 HB2 LYS A 81 8.519 8.427 -7.133 1.00 0.36 H new ATOM 0 HB3 LYS A 81 9.937 9.175 -7.840 1.00 0.36 H new ATOM 0 HG2 LYS A 81 11.326 7.263 -7.175 1.00 0.45 H new ATOM 0 HG3 LYS A 81 9.967 6.529 -6.347 1.00 0.45 H new ATOM 0 HD2 LYS A 81 8.743 6.614 -8.632 1.00 0.73 H new ATOM 0 HD3 LYS A 81 10.311 6.967 -9.331 1.00 0.73 H new ATOM 0 HE2 LYS A 81 11.183 4.867 -8.145 1.00 0.68 H new ATOM 0 HE3 LYS A 81 9.515 4.489 -7.760 1.00 0.68 H new ATOM 0 HZ1 LYS A 81 10.225 3.372 -9.771 1.00 1.55 H new ATOM 0 HZ2 LYS A 81 8.996 4.487 -10.131 1.00 1.55 H new ATOM 0 HZ3 LYS A 81 10.612 4.853 -10.504 1.00 1.55 H new ATOM 964 N HIS A 82 8.334 10.901 -4.975 1.00 0.32 N ATOM 965 CA HIS A 82 7.760 12.239 -4.901 1.00 0.37 C ATOM 966 C HIS A 82 8.468 13.062 -3.830 1.00 0.61 C ATOM 967 O HIS A 82 8.841 14.215 -4.055 1.00 1.20 O ATOM 968 CB HIS A 82 6.262 12.157 -4.590 1.00 0.54 C ATOM 969 CG HIS A 82 5.543 13.465 -4.714 1.00 0.67 C ATOM 970 ND1 HIS A 82 4.322 13.596 -5.342 1.00 1.21 N ATOM 971 CD2 HIS A 82 5.872 14.705 -4.278 1.00 1.16 C ATOM 972 CE1 HIS A 82 3.931 14.857 -5.288 1.00 1.10 C ATOM 973 NE2 HIS A 82 4.855 15.550 -4.650 1.00 1.00 N ATOM 0 H HIS A 82 7.841 10.201 -4.421 1.00 0.32 H new ATOM 0 HA HIS A 82 7.895 12.727 -5.866 1.00 0.37 H new ATOM 0 HB2 HIS A 82 5.800 11.435 -5.263 1.00 0.54 H new ATOM 0 HB3 HIS A 82 6.132 11.777 -3.577 1.00 0.54 H new ATOM 0 HD2 HIS A 82 6.767 14.978 -3.739 1.00 1.16 H new ATOM 0 HE1 HIS A 82 3.013 15.253 -5.696 1.00 1.10 H new ATOM 0 HE2 HIS A 82 4.820 16.552 -4.463 1.00 1.00 H new ATOM 981 N GLU A 83 8.638 12.456 -2.662 1.00 0.36 N ATOM 982 CA GLU A 83 9.293 13.109 -1.534 1.00 0.48 C ATOM 983 C GLU A 83 10.767 12.737 -1.455 1.00 0.45 C ATOM 984 O GLU A 83 11.523 13.343 -0.701 1.00 0.86 O ATOM 985 CB GLU A 83 8.585 12.723 -0.236 1.00 0.65 C ATOM 986 CG GLU A 83 7.091 12.489 -0.414 1.00 0.70 C ATOM 987 CD GLU A 83 6.268 12.995 0.754 1.00 0.99 C ATOM 988 OE1 GLU A 83 6.367 14.198 1.074 1.00 1.34 O ATOM 989 OE2 GLU A 83 5.526 12.186 1.351 1.00 1.20 O ATOM 0 H GLU A 83 8.328 11.503 -2.469 1.00 0.36 H new ATOM 0 HA GLU A 83 9.229 14.187 -1.680 1.00 0.48 H new ATOM 0 HB2 GLU A 83 9.043 11.818 0.165 1.00 0.65 H new ATOM 0 HB3 GLU A 83 8.737 13.511 0.502 1.00 0.65 H new ATOM 0 HG2 GLU A 83 6.758 12.983 -1.327 1.00 0.70 H new ATOM 0 HG3 GLU A 83 6.909 11.422 -0.544 1.00 0.70 H new ATOM 996 N TYR A 84 11.163 11.725 -2.217 1.00 0.32 N ATOM 997 CA TYR A 84 12.547 11.258 -2.217 1.00 0.35 C ATOM 998 C TYR A 84 13.068 11.038 -3.637 1.00 0.39 C ATOM 999 O TYR A 84 12.316 10.691 -4.545 1.00 0.45 O ATOM 1000 CB TYR A 84 12.665 9.973 -1.396 1.00 0.30 C ATOM 1001 CG TYR A 84 12.689 10.222 0.093 1.00 0.26 C ATOM 1002 CD1 TYR A 84 11.510 10.371 0.811 1.00 0.29 C ATOM 1003 CD2 TYR A 84 13.889 10.332 0.777 1.00 0.36 C ATOM 1004 CE1 TYR A 84 11.530 10.616 2.171 1.00 0.32 C ATOM 1005 CE2 TYR A 84 13.918 10.582 2.133 1.00 0.36 C ATOM 1006 CZ TYR A 84 12.737 10.724 2.825 1.00 0.29 C ATOM 1007 OH TYR A 84 12.765 10.974 4.177 1.00 0.36 O ATOM 0 H TYR A 84 10.545 11.210 -2.845 1.00 0.32 H new ATOM 0 HA TYR A 84 13.164 12.032 -1.760 1.00 0.35 H new ATOM 0 HB2 TYR A 84 11.827 9.318 -1.635 1.00 0.30 H new ATOM 0 HB3 TYR A 84 13.575 9.446 -1.685 1.00 0.30 H new ATOM 0 HD1 TYR A 84 10.562 10.294 0.299 1.00 0.29 H new ATOM 0 HD2 TYR A 84 14.818 10.220 0.239 1.00 0.36 H new ATOM 0 HE1 TYR A 84 10.605 10.722 2.718 1.00 0.32 H new ATOM 0 HE2 TYR A 84 14.863 10.666 2.649 1.00 0.36 H new ATOM 0 HH TYR A 84 12.879 11.935 4.330 1.00 0.36 H new ATOM 1017 N ALA A 85 14.372 11.246 -3.805 1.00 0.44 N ATOM 1018 CA ALA A 85 15.028 11.077 -5.099 1.00 0.51 C ATOM 1019 C ALA A 85 16.168 10.071 -5.013 1.00 0.64 C ATOM 1020 O ALA A 85 16.872 10.016 -4.010 1.00 0.68 O ATOM 1021 CB ALA A 85 15.560 12.413 -5.595 1.00 0.52 C ATOM 0 H ALA A 85 14.999 11.534 -3.054 1.00 0.44 H new ATOM 0 HA ALA A 85 14.287 10.697 -5.802 1.00 0.51 H new ATOM 0 HB1 ALA A 85 16.047 12.275 -6.560 1.00 0.52 H new ATOM 0 HB2 ALA A 85 14.734 13.116 -5.702 1.00 0.52 H new ATOM 0 HB3 ALA A 85 16.281 12.806 -4.878 1.00 0.52 H new ATOM 1027 N LYS A 86 16.369 9.303 -6.081 1.00 0.80 N ATOM 1028 CA LYS A 86 17.458 8.333 -6.116 1.00 1.00 C ATOM 1029 C LYS A 86 18.690 8.960 -6.735 1.00 1.41 C ATOM 1030 O LYS A 86 18.663 9.373 -7.895 1.00 1.94 O ATOM 1031 CB LYS A 86 17.077 7.090 -6.913 1.00 1.31 C ATOM 1032 CG LYS A 86 18.075 5.955 -6.767 1.00 1.31 C ATOM 1033 CD LYS A 86 17.631 4.718 -7.531 1.00 1.52 C ATOM 1034 CE LYS A 86 18.233 4.675 -8.925 1.00 2.11 C ATOM 1035 NZ LYS A 86 18.445 3.277 -9.396 1.00 3.09 N ATOM 0 H LYS A 86 15.798 9.333 -6.926 1.00 0.80 H new ATOM 0 HA LYS A 86 17.665 8.034 -5.088 1.00 1.00 H new ATOM 0 HB2 LYS A 86 16.095 6.745 -6.589 1.00 1.31 H new ATOM 0 HB3 LYS A 86 16.990 7.355 -7.967 1.00 1.31 H new ATOM 0 HG2 LYS A 86 19.050 6.278 -7.132 1.00 1.31 H new ATOM 0 HG3 LYS A 86 18.195 5.708 -5.712 1.00 1.31 H new ATOM 0 HD2 LYS A 86 17.924 3.825 -6.980 1.00 1.52 H new ATOM 0 HD3 LYS A 86 16.543 4.705 -7.603 1.00 1.52 H new ATOM 0 HE2 LYS A 86 17.576 5.197 -9.621 1.00 2.11 H new ATOM 0 HE3 LYS A 86 19.185 5.207 -8.926 1.00 2.11 H new ATOM 0 HZ1 LYS A 86 18.745 3.288 -10.392 1.00 3.09 H new ATOM 0 HZ2 LYS A 86 19.181 2.824 -8.818 1.00 3.09 H new ATOM 0 HZ3 LYS A 86 17.557 2.742 -9.307 1.00 3.09 H new ATOM 1049 N GLY A 87 19.773 9.032 -5.974 1.00 1.29 N ATOM 1050 CA GLY A 87 20.982 9.616 -6.502 1.00 1.77 C ATOM 1051 C GLY A 87 21.517 8.828 -7.676 1.00 2.25 C ATOM 1052 O GLY A 87 20.823 7.967 -8.215 1.00 2.39 O ATOM 0 H GLY A 87 19.833 8.700 -5.012 1.00 1.29 H new ATOM 0 HA2 GLY A 87 20.785 10.642 -6.812 1.00 1.77 H new ATOM 0 HA3 GLY A 87 21.738 9.659 -5.718 1.00 1.77 H new ATOM 1056 N ASP A 88 22.741 9.123 -8.095 1.00 2.65 N ATOM 1057 CA ASP A 88 23.337 8.435 -9.231 1.00 3.15 C ATOM 1058 C ASP A 88 23.998 7.116 -8.831 1.00 2.99 C ATOM 1059 O ASP A 88 24.968 6.695 -9.462 1.00 3.40 O ATOM 1060 CB ASP A 88 24.363 9.339 -9.917 1.00 3.64 C ATOM 1061 CG ASP A 88 25.385 9.894 -8.945 1.00 3.89 C ATOM 1062 OD1 ASP A 88 26.345 9.166 -8.613 1.00 4.11 O ATOM 1063 OD2 ASP A 88 25.229 11.057 -8.519 1.00 4.30 O ATOM 0 H ASP A 88 23.338 9.831 -7.667 1.00 2.65 H new ATOM 0 HA ASP A 88 22.528 8.201 -9.923 1.00 3.15 H new ATOM 0 HB2 ASP A 88 24.876 8.776 -10.697 1.00 3.64 H new ATOM 0 HB3 ASP A 88 23.846 10.164 -10.407 1.00 3.64 H new ATOM 1068 N ASP A 89 23.472 6.446 -7.804 1.00 2.50 N ATOM 1069 CA ASP A 89 24.032 5.170 -7.381 1.00 2.33 C ATOM 1070 C ASP A 89 22.938 4.116 -7.295 1.00 1.98 C ATOM 1071 O ASP A 89 22.722 3.341 -8.227 1.00 1.80 O ATOM 1072 CB ASP A 89 24.762 5.320 -6.042 1.00 2.17 C ATOM 1073 CG ASP A 89 25.810 6.412 -6.076 1.00 2.86 C ATOM 1074 OD1 ASP A 89 25.467 7.574 -5.772 1.00 3.11 O ATOM 1075 OD2 ASP A 89 26.977 6.108 -6.405 1.00 3.51 O ATOM 0 H ASP A 89 22.670 6.763 -7.259 1.00 2.50 H new ATOM 0 HA ASP A 89 24.760 4.843 -8.124 1.00 2.33 H new ATOM 0 HB2 ASP A 89 24.037 5.540 -5.259 1.00 2.17 H new ATOM 0 HB3 ASP A 89 25.236 4.373 -5.781 1.00 2.17 H new ATOM 1080 N ASP A 90 22.252 4.114 -6.177 1.00 2.01 N ATOM 1081 CA ASP A 90 21.161 3.192 -5.926 1.00 1.83 C ATOM 1082 C ASP A 90 20.560 3.504 -4.571 1.00 1.46 C ATOM 1083 O ASP A 90 20.008 2.637 -3.907 1.00 1.56 O ATOM 1084 CB ASP A 90 21.653 1.749 -5.974 1.00 2.05 C ATOM 1085 CG ASP A 90 20.904 0.914 -6.995 1.00 2.47 C ATOM 1086 OD1 ASP A 90 20.547 1.462 -8.061 1.00 2.98 O ATOM 1087 OD2 ASP A 90 20.673 -0.283 -6.731 1.00 2.68 O ATOM 0 H ASP A 90 22.434 4.757 -5.406 1.00 2.01 H new ATOM 0 HA ASP A 90 20.401 3.309 -6.699 1.00 1.83 H new ATOM 0 HB2 ASP A 90 22.717 1.739 -6.211 1.00 2.05 H new ATOM 0 HB3 ASP A 90 21.542 1.298 -4.988 1.00 2.05 H new ATOM 1092 N LYS A 91 20.682 4.763 -4.182 1.00 1.26 N ATOM 1093 CA LYS A 91 20.164 5.231 -2.910 1.00 0.94 C ATOM 1094 C LYS A 91 19.246 6.420 -3.113 1.00 0.97 C ATOM 1095 O LYS A 91 19.292 7.080 -4.150 1.00 1.41 O ATOM 1096 CB LYS A 91 21.318 5.616 -2.005 1.00 1.05 C ATOM 1097 CG LYS A 91 21.737 4.509 -1.062 1.00 0.97 C ATOM 1098 CD LYS A 91 23.024 4.853 -0.332 1.00 1.26 C ATOM 1099 CE LYS A 91 24.231 4.237 -1.021 1.00 1.48 C ATOM 1100 NZ LYS A 91 24.581 2.910 -0.445 1.00 2.02 N ATOM 0 H LYS A 91 21.141 5.485 -4.737 1.00 1.26 H new ATOM 0 HA LYS A 91 19.590 4.429 -2.446 1.00 0.94 H new ATOM 0 HB2 LYS A 91 22.172 5.903 -2.619 1.00 1.05 H new ATOM 0 HB3 LYS A 91 21.036 6.493 -1.422 1.00 1.05 H new ATOM 0 HG2 LYS A 91 20.944 4.329 -0.337 1.00 0.97 H new ATOM 0 HG3 LYS A 91 21.872 3.584 -1.623 1.00 0.97 H new ATOM 0 HD2 LYS A 91 23.141 5.936 -0.288 1.00 1.26 H new ATOM 0 HD3 LYS A 91 22.968 4.496 0.696 1.00 1.26 H new ATOM 0 HE2 LYS A 91 24.025 4.128 -2.086 1.00 1.48 H new ATOM 0 HE3 LYS A 91 25.084 4.909 -0.929 1.00 1.48 H new ATOM 0 HZ1 LYS A 91 25.409 2.523 -0.942 1.00 2.02 H new ATOM 0 HZ2 LYS A 91 24.803 3.018 0.565 1.00 2.02 H new ATOM 0 HZ3 LYS A 91 23.776 2.260 -0.556 1.00 2.02 H new ATOM 1114 N TRP A 92 18.396 6.680 -2.129 1.00 0.52 N ATOM 1115 CA TRP A 92 17.448 7.781 -2.225 1.00 0.45 C ATOM 1116 C TRP A 92 17.658 8.840 -1.139 1.00 0.43 C ATOM 1117 O TRP A 92 18.162 8.548 -0.055 1.00 0.52 O ATOM 1118 CB TRP A 92 16.018 7.248 -2.142 1.00 0.42 C ATOM 1119 CG TRP A 92 15.679 6.281 -3.234 1.00 0.49 C ATOM 1120 CD1 TRP A 92 16.050 4.971 -3.309 1.00 0.60 C ATOM 1121 CD2 TRP A 92 14.901 6.543 -4.408 1.00 0.53 C ATOM 1122 NE1 TRP A 92 15.554 4.402 -4.455 1.00 0.72 N ATOM 1123 CE2 TRP A 92 14.845 5.347 -5.148 1.00 0.68 C ATOM 1124 CE3 TRP A 92 14.247 7.675 -4.905 1.00 0.52 C ATOM 1125 CZ2 TRP A 92 14.163 5.250 -6.358 1.00 0.79 C ATOM 1126 CZ3 TRP A 92 13.571 7.577 -6.107 1.00 0.62 C ATOM 1127 CH2 TRP A 92 13.533 6.372 -6.821 1.00 0.75 C ATOM 0 H TRP A 92 18.343 6.147 -1.261 1.00 0.52 H new ATOM 0 HA TRP A 92 17.619 8.261 -3.188 1.00 0.45 H new ATOM 0 HB2 TRP A 92 15.875 6.760 -1.178 1.00 0.42 H new ATOM 0 HB3 TRP A 92 15.323 8.087 -2.181 1.00 0.42 H new ATOM 0 HD1 TRP A 92 16.648 4.455 -2.572 1.00 0.60 H new ATOM 0 HE1 TRP A 92 15.691 3.433 -4.744 1.00 0.72 H new ATOM 0 HE3 TRP A 92 14.270 8.607 -4.360 1.00 0.52 H new ATOM 0 HZ2 TRP A 92 14.133 4.323 -6.911 1.00 0.79 H new ATOM 0 HZ3 TRP A 92 13.063 8.444 -6.503 1.00 0.62 H new ATOM 0 HH2 TRP A 92 12.995 6.328 -7.756 1.00 0.75 H new ATOM 1138 N HIS A 93 17.230 10.066 -1.445 1.00 0.40 N ATOM 1139 CA HIS A 93 17.319 11.194 -0.516 1.00 0.48 C ATOM 1140 C HIS A 93 16.068 12.057 -0.666 1.00 0.48 C ATOM 1141 O HIS A 93 15.598 12.281 -1.782 1.00 0.46 O ATOM 1142 CB HIS A 93 18.584 12.020 -0.766 1.00 0.62 C ATOM 1143 CG HIS A 93 18.711 12.527 -2.168 1.00 0.75 C ATOM 1144 ND1 HIS A 93 18.748 13.869 -2.484 1.00 1.11 N ATOM 1145 CD2 HIS A 93 18.820 11.865 -3.343 1.00 0.83 C ATOM 1146 CE1 HIS A 93 18.873 14.012 -3.790 1.00 1.15 C ATOM 1147 NE2 HIS A 93 18.920 12.810 -4.336 1.00 0.95 N ATOM 0 H HIS A 93 16.812 10.305 -2.344 1.00 0.40 H new ATOM 0 HA HIS A 93 17.380 10.814 0.504 1.00 0.48 H new ATOM 0 HB2 HIS A 93 18.593 12.868 -0.081 1.00 0.62 H new ATOM 0 HB3 HIS A 93 19.456 11.410 -0.530 1.00 0.62 H new ATOM 0 HD2 HIS A 93 18.827 10.793 -3.476 1.00 0.83 H new ATOM 0 HE1 HIS A 93 18.928 14.951 -4.321 1.00 1.15 H new ATOM 0 HE2 HIS A 93 19.015 12.615 -5.333 1.00 0.95 H new ATOM 1155 N LYS A 94 15.499 12.504 0.451 1.00 0.49 N ATOM 1156 CA LYS A 94 14.267 13.289 0.401 1.00 0.48 C ATOM 1157 C LYS A 94 14.368 14.511 -0.489 1.00 0.49 C ATOM 1158 O LYS A 94 15.193 15.400 -0.278 1.00 0.51 O ATOM 1159 CB LYS A 94 13.797 13.720 1.789 1.00 0.58 C ATOM 1160 CG LYS A 94 12.297 13.979 1.825 1.00 0.57 C ATOM 1161 CD LYS A 94 11.853 14.560 3.159 1.00 0.75 C ATOM 1162 CE LYS A 94 10.367 14.339 3.389 1.00 0.86 C ATOM 1163 NZ LYS A 94 9.738 15.476 4.119 1.00 0.93 N ATOM 0 H LYS A 94 15.864 12.340 1.389 1.00 0.49 H new ATOM 0 HA LYS A 94 13.530 12.614 -0.034 1.00 0.48 H new ATOM 0 HB2 LYS A 94 14.049 12.946 2.514 1.00 0.58 H new ATOM 0 HB3 LYS A 94 14.329 14.623 2.088 1.00 0.58 H new ATOM 0 HG2 LYS A 94 12.028 14.666 1.022 1.00 0.57 H new ATOM 0 HG3 LYS A 94 11.763 13.047 1.639 1.00 0.57 H new ATOM 0 HD2 LYS A 94 12.421 14.098 3.967 1.00 0.75 H new ATOM 0 HD3 LYS A 94 12.073 15.627 3.185 1.00 0.75 H new ATOM 0 HE2 LYS A 94 9.868 14.204 2.429 1.00 0.86 H new ATOM 0 HE3 LYS A 94 10.221 13.420 3.956 1.00 0.86 H new ATOM 0 HZ1 LYS A 94 8.725 15.284 4.254 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 10.196 15.589 5.046 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 9.854 16.350 3.567 1.00 0.93 H new ATOM 1177 N LYS A 95 13.481 14.543 -1.471 1.00 0.52 N ATOM 1178 CA LYS A 95 13.394 15.640 -2.405 1.00 0.58 C ATOM 1179 C LYS A 95 12.576 16.777 -1.792 1.00 0.68 C ATOM 1180 O LYS A 95 13.129 17.739 -1.259 1.00 0.93 O ATOM 1181 CB LYS A 95 12.747 15.164 -3.698 1.00 0.56 C ATOM 1182 CG LYS A 95 13.736 14.577 -4.685 1.00 0.56 C ATOM 1183 CD LYS A 95 14.297 15.640 -5.614 1.00 0.65 C ATOM 1184 CE LYS A 95 13.529 15.692 -6.925 1.00 0.96 C ATOM 1185 NZ LYS A 95 14.317 16.348 -8.005 1.00 1.87 N ATOM 0 H LYS A 95 12.800 13.802 -1.638 1.00 0.52 H new ATOM 0 HA LYS A 95 14.396 16.007 -2.626 1.00 0.58 H new ATOM 0 HB2 LYS A 95 11.991 14.415 -3.463 1.00 0.56 H new ATOM 0 HB3 LYS A 95 12.230 16.001 -4.167 1.00 0.56 H new ATOM 0 HG2 LYS A 95 14.552 14.099 -4.143 1.00 0.56 H new ATOM 0 HG3 LYS A 95 13.247 13.801 -5.273 1.00 0.56 H new ATOM 0 HD2 LYS A 95 14.252 16.613 -5.125 1.00 0.65 H new ATOM 0 HD3 LYS A 95 15.348 15.432 -5.814 1.00 0.65 H new ATOM 0 HE2 LYS A 95 13.265 14.680 -7.232 1.00 0.96 H new ATOM 0 HE3 LYS A 95 12.595 16.234 -6.777 1.00 0.96 H new ATOM 0 HZ1 LYS A 95 13.758 16.363 -8.882 1.00 1.87 H new ATOM 0 HZ2 LYS A 95 14.547 17.323 -7.724 1.00 1.87 H new ATOM 0 HZ3 LYS A 95 15.197 15.817 -8.164 1.00 1.87 H new ATOM 1199 N SER A 96 11.256 16.648 -1.876 1.00 0.74 N ATOM 1200 CA SER A 96 10.347 17.651 -1.333 1.00 0.87 C ATOM 1201 C SER A 96 10.277 17.557 0.188 1.00 0.86 C ATOM 1202 O SER A 96 9.379 16.853 0.694 1.00 1.19 O ATOM 1203 CB SER A 96 8.949 17.482 -1.930 1.00 1.27 C ATOM 1204 OG SER A 96 8.060 18.472 -1.442 1.00 1.84 O ATOM 1205 OXT SER A 96 11.122 18.187 0.859 1.00 1.65 O ATOM 0 H SER A 96 10.790 15.855 -2.317 1.00 0.74 H new ATOM 0 HA SER A 96 10.732 18.635 -1.601 1.00 0.87 H new ATOM 0 HB2 SER A 96 9.005 17.544 -3.017 1.00 1.27 H new ATOM 0 HB3 SER A 96 8.564 16.492 -1.686 1.00 1.27 H new ATOM 0 HG SER A 96 7.174 18.342 -1.841 1.00 1.84 H new