USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1666 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: B 18 THR OG1 : rot -15:sc= 0.0233 USER MOD Set 1.2: B 19 THR OG1 : rot 79:sc= 0.403 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= -0.0886 (180deg=-0.312) USER MOD Single : A 7 THR OG1 : rot 98:sc= 0.844 USER MOD Single : A 12 SER OG : rot 61:sc= 0.191 USER MOD Single : A 15 THR OG1 : rot 70:sc= 1.22 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 70:sc= 1.28 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -63:sc= 0.709 USER MOD Single : A 34 SER OG : rot -170:sc= -0.0854 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.348 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 48 HIS : no HD1:sc= -0.0194 X(o=-0.019,f=-0.39) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 7:sc= 0.178 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 0.241 (180deg=0.198) USER MOD Single : A 60 MET CE :methyl 176:sc= 0 (180deg=-0.0287) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 79:sc=0.000252 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot -102:sc= 0.0301 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0.33) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.0339 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= 0.0176 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -147:sc= 0.00571 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0288) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -177:sc= -0.259 (180deg=-0.301) USER MOD Single : B 7 THR OG1 : rot 92:sc= 1.03 USER MOD Single : B 12 SER OG : rot 64:sc= 0.946 USER MOD Single : B 15 THR OG1 : rot 61:sc= 0.395 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0144) USER MOD Single : B 32 SER OG : rot 180:sc= -0.0191 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 75:sc= 0.117 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.5) USER MOD Single : B 48 HIS : no HD1:sc= 0 X(o=0,f=-0.089) USER MOD Single : B 51 LYS NZ :NH3+ -173:sc= 0.226 (180deg=0.208) USER MOD Single : B 55 SER OG : rot -59:sc= 0.274 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 MET CE :methyl 178:sc= 0 (180deg=-0.00472) USER MOD Single : B 61 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0152) USER MOD Single : B 62 SER OG : rot 89:sc= 0.0953 USER MOD Single : B 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : B 76 TYR OH : rot 180:sc=-0.00378 USER MOD Single : B 85 LYS NZ :NH3+ 178:sc= 0.961 (180deg=0.959) USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 148:sc=0.000383 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 174:sc= -0.0207 (180deg=-0.0799) USER MOD Single : B 94 LYS NZ :NH3+ -141:sc= 0.201 (180deg=-0.0923) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.710 17.483 8.008 1.00 1.04 N ATOM 2 CA MET A 1 6.775 16.592 7.438 1.00 0.91 C ATOM 3 C MET A 1 7.167 15.436 8.396 1.00 0.73 C ATOM 4 O MET A 1 8.204 14.795 8.197 1.00 0.96 O ATOM 5 CB MET A 1 8.019 17.423 7.017 1.00 1.31 C ATOM 6 CG MET A 1 8.722 18.195 8.146 1.00 1.57 C ATOM 7 SD MET A 1 10.143 17.333 8.858 1.00 2.18 S ATOM 8 CE MET A 1 11.127 18.713 9.440 1.00 2.71 C ATOM 0 H1 MET A 1 5.755 18.415 7.549 1.00 1.04 H new ATOM 0 H2 MET A 1 4.776 17.059 7.839 1.00 1.04 H new ATOM 0 H3 MET A 1 5.861 17.593 9.031 1.00 1.04 H new ATOM 0 HA MET A 1 6.354 16.123 6.549 1.00 0.91 H new ATOM 0 HB2 MET A 1 8.743 16.750 6.557 1.00 1.31 H new ATOM 0 HB3 MET A 1 7.714 18.135 6.251 1.00 1.31 H new ATOM 0 HG2 MET A 1 9.052 19.160 7.761 1.00 1.57 H new ATOM 0 HG3 MET A 1 8.000 18.398 8.937 1.00 1.57 H new ATOM 0 HE1 MET A 1 12.039 18.339 9.905 1.00 2.71 H new ATOM 0 HE2 MET A 1 11.386 19.356 8.599 1.00 2.71 H new ATOM 0 HE3 MET A 1 10.555 19.285 10.171 1.00 2.71 H new ATOM 20 N ALA A 2 6.314 15.148 9.411 1.00 0.77 N ATOM 21 CA ALA A 2 6.556 14.063 10.376 1.00 0.71 C ATOM 22 C ALA A 2 5.327 13.148 10.473 1.00 0.59 C ATOM 23 O ALA A 2 4.193 13.605 10.280 1.00 0.68 O ATOM 24 CB ALA A 2 6.920 14.628 11.748 1.00 1.02 C ATOM 0 H ALA A 2 5.448 15.661 9.577 1.00 0.77 H new ATOM 0 HA ALA A 2 7.399 13.470 10.021 1.00 0.71 H new ATOM 0 HB1 ALA A 2 7.094 13.808 12.445 1.00 1.02 H new ATOM 0 HB2 ALA A 2 7.824 15.232 11.665 1.00 1.02 H new ATOM 0 HB3 ALA A 2 6.102 15.248 12.115 1.00 1.02 H new ATOM 30 N ALA A 3 5.555 11.856 10.775 1.00 0.56 N ATOM 31 CA ALA A 3 4.469 10.868 10.881 1.00 0.54 C ATOM 32 C ALA A 3 3.955 10.746 12.328 1.00 0.55 C ATOM 33 O ALA A 3 4.747 10.575 13.260 1.00 0.70 O ATOM 34 CB ALA A 3 4.938 9.515 10.347 1.00 0.66 C ATOM 0 H ALA A 3 6.484 11.473 10.950 1.00 0.56 H new ATOM 0 HA ALA A 3 3.633 11.213 10.272 1.00 0.54 H new ATOM 0 HB1 ALA A 3 4.128 8.791 10.430 1.00 0.66 H new ATOM 0 HB2 ALA A 3 5.228 9.617 9.301 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.793 9.171 10.929 1.00 0.66 H new ATOM 40 N GLU A 4 2.617 10.840 12.498 1.00 0.52 N ATOM 41 CA GLU A 4 1.967 10.754 13.822 1.00 0.55 C ATOM 42 C GLU A 4 0.625 9.985 13.718 1.00 0.52 C ATOM 43 O GLU A 4 -0.151 10.242 12.790 1.00 0.50 O ATOM 44 CB GLU A 4 1.741 12.177 14.376 1.00 0.61 C ATOM 45 CG GLU A 4 1.363 12.224 15.853 1.00 0.74 C ATOM 46 CD GLU A 4 1.259 13.640 16.395 1.00 0.86 C ATOM 47 OE1 GLU A 4 0.179 14.251 16.257 1.00 0.94 O ATOM 48 OE2 GLU A 4 2.260 14.137 16.955 1.00 1.02 O ATOM 0 H GLU A 4 1.963 10.977 11.727 1.00 0.52 H new ATOM 0 HA GLU A 4 2.615 10.206 14.506 1.00 0.55 H new ATOM 0 HB2 GLU A 4 2.649 12.761 14.227 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.954 12.659 13.796 1.00 0.61 H new ATOM 0 HG2 GLU A 4 0.409 11.716 15.995 1.00 0.74 H new ATOM 0 HG3 GLU A 4 2.106 11.674 16.430 1.00 0.74 H new ATOM 55 N PRO A 5 0.315 9.041 14.668 1.00 0.57 N ATOM 56 CA PRO A 5 -0.933 8.247 14.619 1.00 0.59 C ATOM 57 C PRO A 5 -2.185 9.033 15.058 1.00 0.53 C ATOM 58 O PRO A 5 -2.115 9.856 15.976 1.00 0.59 O ATOM 59 CB PRO A 5 -0.641 7.092 15.589 1.00 0.74 C ATOM 60 CG PRO A 5 0.294 7.670 16.593 1.00 0.73 C ATOM 61 CD PRO A 5 1.139 8.675 15.853 1.00 0.67 C ATOM 0 HA PRO A 5 -1.170 7.932 13.603 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -1.555 6.730 16.061 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.192 6.244 15.072 1.00 0.74 H new ATOM 0 HG2 PRO A 5 -0.254 8.146 17.406 1.00 0.73 H new ATOM 0 HG3 PRO A 5 0.915 6.893 17.039 1.00 0.73 H new ATOM 0 HD2 PRO A 5 1.356 9.546 16.472 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.097 8.248 15.556 1.00 0.67 H new ATOM 69 N LEU A 6 -3.327 8.763 14.383 1.00 0.58 N ATOM 70 CA LEU A 6 -4.616 9.418 14.691 1.00 0.67 C ATOM 71 C LEU A 6 -5.769 8.386 14.713 1.00 0.71 C ATOM 72 O LEU A 6 -6.403 8.188 15.754 1.00 1.19 O ATOM 73 CB LEU A 6 -4.925 10.546 13.669 1.00 0.84 C ATOM 74 CG LEU A 6 -3.952 11.753 13.645 1.00 0.91 C ATOM 75 CD1 LEU A 6 -4.319 12.720 12.514 1.00 1.14 C ATOM 76 CD2 LEU A 6 -3.936 12.489 14.990 1.00 1.03 C ATOM 0 H LEU A 6 -3.379 8.091 13.617 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.532 9.864 15.682 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -4.944 10.105 12.672 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -5.928 10.922 13.871 1.00 0.84 H new ATOM 0 HG LEU A 6 -2.950 11.364 13.464 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -3.625 13.560 12.514 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -4.260 12.200 11.558 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -5.334 13.088 12.665 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -3.243 13.329 14.937 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -4.937 12.858 15.215 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -3.616 11.804 15.776 1.00 1.03 H new ATOM 88 N THR A 7 -6.020 7.730 13.557 1.00 0.52 N ATOM 89 CA THR A 7 -7.091 6.722 13.402 1.00 0.52 C ATOM 90 C THR A 7 -6.477 5.316 13.198 1.00 0.49 C ATOM 91 O THR A 7 -5.281 5.204 12.912 1.00 0.56 O ATOM 92 CB THR A 7 -8.009 7.092 12.190 1.00 0.58 C ATOM 93 OG1 THR A 7 -8.209 8.513 12.147 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.379 6.419 12.262 1.00 0.94 C ATOM 0 H THR A 7 -5.483 7.886 12.704 1.00 0.52 H new ATOM 0 HA THR A 7 -7.695 6.711 14.309 1.00 0.52 H new ATOM 0 HB THR A 7 -7.500 6.738 11.293 1.00 0.58 H new ATOM 0 HG1 THR A 7 -7.594 8.910 11.496 1.00 0.98 H new ATOM 0 HG21 THR A 7 -9.974 6.711 11.397 1.00 0.94 H new ATOM 0 HG22 THR A 7 -9.253 5.336 12.267 1.00 0.94 H new ATOM 0 HG23 THR A 7 -9.889 6.729 13.174 1.00 0.94 H new ATOM 102 N GLU A 8 -7.297 4.247 13.353 1.00 0.51 N ATOM 103 CA GLU A 8 -6.829 2.847 13.183 1.00 0.50 C ATOM 104 C GLU A 8 -6.275 2.579 11.766 1.00 0.46 C ATOM 105 O GLU A 8 -5.235 1.925 11.629 1.00 0.48 O ATOM 106 CB GLU A 8 -7.959 1.844 13.516 1.00 0.55 C ATOM 107 CG GLU A 8 -7.523 0.374 13.501 1.00 0.91 C ATOM 108 CD GLU A 8 -8.516 -0.549 14.181 1.00 0.95 C ATOM 109 OE1 GLU A 8 -8.396 -0.750 15.407 1.00 1.14 O ATOM 110 OE2 GLU A 8 -9.418 -1.070 13.489 1.00 1.42 O ATOM 0 H GLU A 8 -8.285 4.327 13.595 1.00 0.51 H new ATOM 0 HA GLU A 8 -6.008 2.703 13.885 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.361 2.081 14.501 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.770 1.978 12.800 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -7.386 0.053 12.469 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.555 0.283 13.994 1.00 0.91 H new ATOM 117 N LEU A 9 -6.970 3.072 10.717 1.00 0.45 N ATOM 118 CA LEU A 9 -6.515 2.878 9.323 1.00 0.44 C ATOM 119 C LEU A 9 -5.287 3.753 8.999 1.00 0.42 C ATOM 120 O LEU A 9 -4.463 3.369 8.163 1.00 0.43 O ATOM 121 CB LEU A 9 -7.657 3.133 8.314 1.00 0.48 C ATOM 122 CG LEU A 9 -8.915 2.240 8.468 1.00 0.56 C ATOM 123 CD1 LEU A 9 -9.939 2.563 7.380 1.00 0.65 C ATOM 124 CD2 LEU A 9 -8.558 0.742 8.442 1.00 0.65 C ATOM 0 H LEU A 9 -7.838 3.601 10.807 1.00 0.45 H new ATOM 0 HA LEU A 9 -6.213 1.835 9.227 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -7.964 4.175 8.399 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -7.262 2.998 7.307 1.00 0.48 H new ATOM 0 HG LEU A 9 -9.354 2.458 9.442 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.815 1.926 7.504 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -10.236 3.609 7.459 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -9.497 2.385 6.400 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -9.466 0.150 8.553 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -8.079 0.498 7.494 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.876 0.516 9.261 1.00 0.65 H new ATOM 136 N GLU A 10 -5.170 4.931 9.657 1.00 0.42 N ATOM 137 CA GLU A 10 -4.006 5.822 9.473 1.00 0.44 C ATOM 138 C GLU A 10 -2.775 5.212 10.164 1.00 0.44 C ATOM 139 O GLU A 10 -1.678 5.242 9.610 1.00 0.48 O ATOM 140 CB GLU A 10 -4.274 7.233 10.035 1.00 0.49 C ATOM 141 CG GLU A 10 -5.351 8.011 9.281 1.00 0.54 C ATOM 142 CD GLU A 10 -5.434 9.466 9.710 1.00 0.63 C ATOM 143 OE1 GLU A 10 -4.474 10.221 9.437 1.00 1.03 O ATOM 144 OE2 GLU A 10 -6.455 9.852 10.315 1.00 0.96 O ATOM 0 H GLU A 10 -5.865 5.282 10.316 1.00 0.42 H new ATOM 0 HA GLU A 10 -3.822 5.919 8.403 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -4.569 7.146 11.081 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -3.346 7.804 10.012 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -5.146 7.963 8.212 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -6.318 7.534 9.442 1.00 0.54 H new ATOM 151 N GLU A 11 -2.984 4.640 11.375 1.00 0.44 N ATOM 152 CA GLU A 11 -1.909 3.997 12.157 1.00 0.46 C ATOM 153 C GLU A 11 -1.321 2.767 11.421 1.00 0.45 C ATOM 154 O GLU A 11 -0.151 2.439 11.618 1.00 0.47 O ATOM 155 CB GLU A 11 -2.425 3.605 13.564 1.00 0.52 C ATOM 156 CG GLU A 11 -1.321 3.334 14.591 1.00 0.61 C ATOM 157 CD GLU A 11 -1.857 3.186 16.007 1.00 0.69 C ATOM 158 OE1 GLU A 11 -2.350 2.089 16.345 1.00 0.81 O ATOM 159 OE2 GLU A 11 -1.781 4.168 16.776 1.00 0.79 O ATOM 0 H GLU A 11 -3.896 4.613 11.831 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.102 4.721 12.271 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -3.064 4.404 13.939 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -3.047 2.715 13.474 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.787 2.425 14.313 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.598 4.149 14.564 1.00 0.61 H new ATOM 166 N SER A 12 -2.133 2.097 10.564 1.00 0.45 N ATOM 167 CA SER A 12 -1.669 0.921 9.789 1.00 0.47 C ATOM 168 C SER A 12 -0.513 1.296 8.835 1.00 0.44 C ATOM 169 O SER A 12 0.462 0.551 8.724 1.00 0.49 O ATOM 170 CB SER A 12 -2.833 0.299 8.994 1.00 0.52 C ATOM 171 OG SER A 12 -3.890 -0.092 9.856 1.00 0.63 O ATOM 0 H SER A 12 -3.106 2.350 10.394 1.00 0.45 H new ATOM 0 HA SER A 12 -1.296 0.185 10.501 1.00 0.47 H new ATOM 0 HB2 SER A 12 -3.203 1.018 8.263 1.00 0.52 H new ATOM 0 HB3 SER A 12 -2.475 -0.567 8.437 1.00 0.52 H new ATOM 0 HG SER A 12 -4.239 0.695 10.323 1.00 0.63 H new ATOM 177 N ILE A 13 -0.636 2.456 8.152 1.00 0.42 N ATOM 178 CA ILE A 13 0.407 2.956 7.224 1.00 0.43 C ATOM 179 C ILE A 13 1.393 3.929 7.921 1.00 0.41 C ATOM 180 O ILE A 13 2.482 4.178 7.398 1.00 0.46 O ATOM 181 CB ILE A 13 -0.204 3.627 5.935 1.00 0.47 C ATOM 182 CG1 ILE A 13 -1.158 4.823 6.250 1.00 0.46 C ATOM 183 CG2 ILE A 13 -0.934 2.576 5.092 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.458 6.136 6.566 1.00 0.44 C ATOM 0 H ILE A 13 -1.450 3.066 8.226 1.00 0.42 H new ATOM 0 HA ILE A 13 0.967 2.076 6.907 1.00 0.43 H new ATOM 0 HB ILE A 13 0.633 4.041 5.373 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -1.818 4.977 5.396 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.789 4.552 7.096 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -1.353 3.049 4.204 1.00 0.56 H new ATOM 0 HG22 ILE A 13 -0.232 1.798 4.792 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.738 2.132 5.680 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.203 6.905 6.771 1.00 0.44 H new ATOM 0 HD12 ILE A 13 0.180 6.007 7.440 1.00 0.44 H new ATOM 0 HD13 ILE A 13 0.151 6.438 5.714 1.00 0.44 H new ATOM 196 N GLU A 14 1.007 4.467 9.103 1.00 0.39 N ATOM 197 CA GLU A 14 1.846 5.411 9.874 1.00 0.40 C ATOM 198 C GLU A 14 2.914 4.670 10.704 1.00 0.41 C ATOM 199 O GLU A 14 4.052 5.141 10.802 1.00 0.44 O ATOM 200 CB GLU A 14 0.949 6.284 10.784 1.00 0.43 C ATOM 201 CG GLU A 14 1.660 7.442 11.494 1.00 0.52 C ATOM 202 CD GLU A 14 2.286 7.067 12.838 1.00 0.61 C ATOM 203 OE1 GLU A 14 1.833 6.085 13.468 1.00 0.93 O ATOM 204 OE2 GLU A 14 3.225 7.768 13.266 1.00 1.00 O ATOM 0 H GLU A 14 0.111 4.260 9.545 1.00 0.39 H new ATOM 0 HA GLU A 14 2.374 6.055 9.171 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.138 6.693 10.181 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.493 5.643 11.538 1.00 0.43 H new ATOM 0 HG2 GLU A 14 2.440 7.830 10.839 1.00 0.52 H new ATOM 0 HG3 GLU A 14 0.945 8.250 11.652 1.00 0.52 H new ATOM 211 N THR A 15 2.538 3.518 11.308 1.00 0.42 N ATOM 212 CA THR A 15 3.470 2.704 12.124 1.00 0.45 C ATOM 213 C THR A 15 4.663 2.194 11.281 1.00 0.43 C ATOM 214 O THR A 15 5.769 2.053 11.802 1.00 0.45 O ATOM 215 CB THR A 15 2.731 1.506 12.805 1.00 0.50 C ATOM 216 OG1 THR A 15 1.594 1.986 13.541 1.00 0.65 O ATOM 217 CG2 THR A 15 3.639 0.720 13.759 1.00 0.77 C ATOM 0 H THR A 15 1.596 3.132 11.246 1.00 0.42 H new ATOM 0 HA THR A 15 3.862 3.353 12.907 1.00 0.45 H new ATOM 0 HB THR A 15 2.418 0.834 12.006 1.00 0.50 H new ATOM 0 HG1 THR A 15 0.907 2.298 12.915 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.076 -0.100 14.204 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.488 0.319 13.205 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.000 1.382 14.546 1.00 0.77 H new ATOM 225 N VAL A 16 4.433 1.937 9.974 1.00 0.41 N ATOM 226 CA VAL A 16 5.496 1.476 9.056 1.00 0.42 C ATOM 227 C VAL A 16 6.547 2.598 8.834 1.00 0.42 C ATOM 228 O VAL A 16 7.730 2.310 8.627 1.00 0.46 O ATOM 229 CB VAL A 16 4.909 1.003 7.676 1.00 0.44 C ATOM 230 CG1 VAL A 16 6.003 0.465 6.741 1.00 0.50 C ATOM 231 CG2 VAL A 16 3.809 -0.051 7.871 1.00 0.49 C ATOM 0 H VAL A 16 3.520 2.041 9.532 1.00 0.41 H new ATOM 0 HA VAL A 16 5.982 0.619 9.523 1.00 0.42 H new ATOM 0 HB VAL A 16 4.468 1.881 7.203 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.554 0.149 5.799 1.00 0.50 H new ATOM 0 HG12 VAL A 16 6.735 1.249 6.549 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.497 -0.386 7.211 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.423 -0.358 6.899 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.223 -0.917 8.387 1.00 0.49 H new ATOM 0 HG23 VAL A 16 3.000 0.373 8.465 1.00 0.49 H new ATOM 241 N VAL A 17 6.095 3.874 8.893 1.00 0.42 N ATOM 242 CA VAL A 17 6.968 5.048 8.708 1.00 0.47 C ATOM 243 C VAL A 17 7.823 5.306 9.969 1.00 0.55 C ATOM 244 O VAL A 17 9.036 5.125 9.924 1.00 0.95 O ATOM 245 CB VAL A 17 6.127 6.331 8.336 1.00 0.51 C ATOM 246 CG1 VAL A 17 7.000 7.592 8.180 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.300 6.085 7.063 1.00 0.52 C ATOM 0 H VAL A 17 5.119 4.113 9.070 1.00 0.42 H new ATOM 0 HA VAL A 17 7.640 4.832 7.878 1.00 0.47 H new ATOM 0 HB VAL A 17 5.451 6.517 9.171 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.368 8.443 7.924 1.00 0.60 H new ATOM 0 HG12 VAL A 17 7.518 7.794 9.117 1.00 0.60 H new ATOM 0 HG13 VAL A 17 7.732 7.432 7.388 1.00 0.60 H new ATOM 0 HG21 VAL A 17 4.727 6.981 6.823 1.00 0.52 H new ATOM 0 HG22 VAL A 17 5.968 5.849 6.235 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.618 5.251 7.228 1.00 0.52 H new ATOM 257 N THR A 18 7.176 5.666 11.100 1.00 0.47 N ATOM 258 CA THR A 18 7.885 5.996 12.367 1.00 0.51 C ATOM 259 C THR A 18 8.842 4.896 12.880 1.00 0.51 C ATOM 260 O THR A 18 9.884 5.221 13.455 1.00 0.60 O ATOM 261 CB THR A 18 6.891 6.351 13.512 1.00 0.56 C ATOM 262 OG1 THR A 18 5.865 5.351 13.613 1.00 0.57 O ATOM 263 CG2 THR A 18 6.247 7.716 13.291 1.00 0.62 C ATOM 0 H THR A 18 6.161 5.737 11.166 1.00 0.47 H new ATOM 0 HA THR A 18 8.493 6.861 12.102 1.00 0.51 H new ATOM 0 HB THR A 18 7.462 6.385 14.440 1.00 0.56 H new ATOM 0 HG1 THR A 18 5.249 5.587 14.338 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.559 7.931 14.109 1.00 0.62 H new ATOM 0 HG22 THR A 18 7.021 8.482 13.257 1.00 0.62 H new ATOM 0 HG23 THR A 18 5.699 7.712 12.349 1.00 0.62 H new ATOM 271 N THR A 19 8.501 3.615 12.666 1.00 0.49 N ATOM 272 CA THR A 19 9.327 2.496 13.159 1.00 0.53 C ATOM 273 C THR A 19 10.642 2.314 12.362 1.00 0.53 C ATOM 274 O THR A 19 11.704 2.171 12.977 1.00 0.62 O ATOM 275 CB THR A 19 8.515 1.164 13.179 1.00 0.55 C ATOM 276 OG1 THR A 19 7.259 1.384 13.839 1.00 0.56 O ATOM 277 CG2 THR A 19 9.257 0.041 13.911 1.00 0.66 C ATOM 0 H THR A 19 7.664 3.327 12.158 1.00 0.49 H new ATOM 0 HA THR A 19 9.609 2.756 14.179 1.00 0.53 H new ATOM 0 HB THR A 19 8.369 0.857 12.143 1.00 0.55 H new ATOM 0 HG1 THR A 19 6.691 1.954 13.280 1.00 0.56 H new ATOM 0 HG21 THR A 19 8.651 -0.865 13.898 1.00 0.66 H new ATOM 0 HG22 THR A 19 10.208 -0.151 13.414 1.00 0.66 H new ATOM 0 HG23 THR A 19 9.441 0.339 14.943 1.00 0.66 H new ATOM 285 N PHE A 20 10.582 2.329 11.011 1.00 0.53 N ATOM 286 CA PHE A 20 11.787 2.125 10.174 1.00 0.57 C ATOM 287 C PHE A 20 12.456 3.437 9.703 1.00 0.57 C ATOM 288 O PHE A 20 13.647 3.413 9.378 1.00 0.89 O ATOM 289 CB PHE A 20 11.463 1.236 8.955 1.00 0.64 C ATOM 290 CG PHE A 20 12.692 0.791 8.175 1.00 0.71 C ATOM 291 CD1 PHE A 20 13.549 -0.178 8.690 1.00 0.83 C ATOM 292 CD2 PHE A 20 13.002 1.360 6.945 1.00 0.76 C ATOM 293 CE1 PHE A 20 14.676 -0.570 7.990 1.00 0.95 C ATOM 294 CE2 PHE A 20 14.130 0.968 6.248 1.00 0.86 C ATOM 295 CZ PHE A 20 14.965 0.004 6.770 1.00 0.93 C ATOM 0 H PHE A 20 9.723 2.478 10.482 1.00 0.53 H new ATOM 0 HA PHE A 20 12.508 1.624 10.820 1.00 0.57 H new ATOM 0 HB2 PHE A 20 10.921 0.354 9.295 1.00 0.64 H new ATOM 0 HB3 PHE A 20 10.797 1.781 8.286 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.331 -0.629 9.647 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.354 2.117 6.529 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.330 -1.326 8.399 1.00 0.95 H new ATOM 0 HE2 PHE A 20 14.357 1.418 5.293 1.00 0.86 H new ATOM 0 HZ PHE A 20 15.845 -0.302 6.224 1.00 0.93 H new ATOM 305 N PHE A 21 11.722 4.579 9.661 1.00 0.71 N ATOM 306 CA PHE A 21 12.312 5.871 9.210 1.00 0.73 C ATOM 307 C PHE A 21 13.522 6.303 10.067 1.00 0.66 C ATOM 308 O PHE A 21 14.332 7.104 9.605 1.00 0.67 O ATOM 309 CB PHE A 21 11.255 7.006 9.140 1.00 1.04 C ATOM 310 CG PHE A 21 10.611 7.189 7.770 1.00 1.67 C ATOM 311 CD1 PHE A 21 10.189 6.094 7.011 1.00 1.97 C ATOM 312 CD2 PHE A 21 10.432 8.463 7.236 1.00 2.34 C ATOM 313 CE1 PHE A 21 9.613 6.272 5.767 1.00 2.74 C ATOM 314 CE2 PHE A 21 9.857 8.638 5.992 1.00 3.02 C ATOM 315 CZ PHE A 21 9.449 7.543 5.259 1.00 3.17 C ATOM 0 H PHE A 21 10.739 4.635 9.928 1.00 0.71 H new ATOM 0 HA PHE A 21 12.677 5.692 8.199 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.472 6.801 9.871 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.728 7.943 9.433 1.00 1.04 H new ATOM 0 HD1 PHE A 21 10.315 5.095 7.402 1.00 1.97 H new ATOM 0 HD2 PHE A 21 10.747 9.327 7.803 1.00 2.34 H new ATOM 0 HE1 PHE A 21 9.292 5.415 5.193 1.00 2.74 H new ATOM 0 HE2 PHE A 21 9.727 9.633 5.593 1.00 3.02 H new ATOM 0 HZ PHE A 21 9.001 7.682 4.286 1.00 3.17 H new ATOM 325 N THR A 22 13.632 5.779 11.313 1.00 0.75 N ATOM 326 CA THR A 22 14.779 6.073 12.195 1.00 0.89 C ATOM 327 C THR A 22 16.087 5.510 11.577 1.00 0.82 C ATOM 328 O THR A 22 17.153 6.117 11.715 1.00 0.97 O ATOM 329 CB THR A 22 14.556 5.487 13.625 1.00 1.11 C ATOM 330 OG1 THR A 22 13.305 5.967 14.159 1.00 1.25 O ATOM 331 CG2 THR A 22 15.690 5.850 14.589 1.00 1.37 C ATOM 0 H THR A 22 12.940 5.153 11.725 1.00 0.75 H new ATOM 0 HA THR A 22 14.868 7.155 12.287 1.00 0.89 H new ATOM 0 HB THR A 22 14.538 4.401 13.529 1.00 1.11 H new ATOM 0 HG1 THR A 22 13.168 5.596 15.056 1.00 1.25 H new ATOM 0 HG21 THR A 22 15.487 5.419 15.569 1.00 1.37 H new ATOM 0 HG22 THR A 22 16.632 5.456 14.208 1.00 1.37 H new ATOM 0 HG23 THR A 22 15.759 6.934 14.677 1.00 1.37 H new ATOM 339 N PHE A 23 15.982 4.339 10.906 1.00 0.69 N ATOM 340 CA PHE A 23 17.125 3.698 10.222 1.00 0.76 C ATOM 341 C PHE A 23 17.211 4.159 8.751 1.00 0.69 C ATOM 342 O PHE A 23 18.308 4.273 8.200 1.00 0.82 O ATOM 343 CB PHE A 23 17.009 2.157 10.285 1.00 0.87 C ATOM 344 CG PHE A 23 17.049 1.592 11.694 1.00 1.04 C ATOM 345 CD1 PHE A 23 18.249 1.509 12.398 1.00 1.34 C ATOM 346 CD2 PHE A 23 15.887 1.148 12.318 1.00 1.01 C ATOM 347 CE1 PHE A 23 18.284 1.000 13.684 1.00 1.55 C ATOM 348 CE2 PHE A 23 15.922 0.638 13.605 1.00 1.24 C ATOM 349 CZ PHE A 23 17.120 0.564 14.287 1.00 1.49 C ATOM 0 H PHE A 23 15.109 3.817 10.825 1.00 0.69 H new ATOM 0 HA PHE A 23 18.036 4.002 10.738 1.00 0.76 H new ATOM 0 HB2 PHE A 23 16.077 1.853 9.809 1.00 0.87 H new ATOM 0 HB3 PHE A 23 17.821 1.718 9.705 1.00 0.87 H new ATOM 0 HD1 PHE A 23 19.164 1.847 11.933 1.00 1.34 H new ATOM 0 HD2 PHE A 23 14.946 1.202 11.792 1.00 1.01 H new ATOM 0 HE1 PHE A 23 19.222 0.943 14.217 1.00 1.55 H new ATOM 0 HE2 PHE A 23 15.011 0.298 14.076 1.00 1.24 H new ATOM 0 HZ PHE A 23 17.147 0.166 15.291 1.00 1.49 H new ATOM 359 N ALA A 24 16.041 4.433 8.127 1.00 0.59 N ATOM 360 CA ALA A 24 15.962 4.878 6.721 1.00 0.67 C ATOM 361 C ALA A 24 16.445 6.330 6.508 1.00 0.62 C ATOM 362 O ALA A 24 16.746 6.712 5.374 1.00 0.83 O ATOM 363 CB ALA A 24 14.532 4.722 6.205 1.00 0.82 C ATOM 0 H ALA A 24 15.132 4.352 8.583 1.00 0.59 H new ATOM 0 HA ALA A 24 16.640 4.240 6.154 1.00 0.67 H new ATOM 0 HB1 ALA A 24 14.482 5.052 5.167 1.00 0.82 H new ATOM 0 HB2 ALA A 24 14.235 3.675 6.268 1.00 0.82 H new ATOM 0 HB3 ALA A 24 13.858 5.327 6.812 1.00 0.82 H new ATOM 369 N ARG A 25 16.515 7.136 7.593 1.00 0.61 N ATOM 370 CA ARG A 25 16.959 8.551 7.508 1.00 0.65 C ATOM 371 C ARG A 25 18.505 8.714 7.596 1.00 0.69 C ATOM 372 O ARG A 25 18.995 9.845 7.717 1.00 0.88 O ATOM 373 CB ARG A 25 16.268 9.399 8.606 1.00 0.75 C ATOM 374 CG ARG A 25 16.655 9.036 10.047 1.00 0.78 C ATOM 375 CD ARG A 25 15.868 9.842 11.078 1.00 0.97 C ATOM 376 NE ARG A 25 16.241 9.481 12.458 1.00 1.09 N ATOM 377 CZ ARG A 25 15.926 10.189 13.566 1.00 1.32 C ATOM 378 NH1 ARG A 25 15.238 11.340 13.495 1.00 1.55 N ATOM 379 NH2 ARG A 25 16.318 9.740 14.759 1.00 1.47 N ATOM 0 H ARG A 25 16.271 6.834 8.536 1.00 0.61 H new ATOM 0 HA ARG A 25 16.662 8.911 6.523 1.00 0.65 H new ATOM 0 HB2 ARG A 25 16.505 10.449 8.436 1.00 0.75 H new ATOM 0 HB3 ARG A 25 15.188 9.295 8.499 1.00 0.75 H new ATOM 0 HG2 ARG A 25 16.481 7.972 10.211 1.00 0.78 H new ATOM 0 HG3 ARG A 25 17.721 9.210 10.190 1.00 0.78 H new ATOM 0 HD2 ARG A 25 16.046 10.906 10.920 1.00 0.97 H new ATOM 0 HD3 ARG A 25 14.801 9.672 10.934 1.00 0.97 H new ATOM 0 HE ARG A 25 16.782 8.626 12.588 1.00 1.09 H new ATOM 0 HH11 ARG A 25 14.939 11.701 12.589 1.00 1.55 H new ATOM 0 HH12 ARG A 25 15.014 11.854 14.347 1.00 1.55 H new ATOM 0 HH21 ARG A 25 16.849 8.872 14.828 1.00 1.47 H new ATOM 0 HH22 ARG A 25 16.087 10.265 15.603 1.00 1.47 H new ATOM 393 N GLN A 26 19.265 7.599 7.521 1.00 0.73 N ATOM 394 CA GLN A 26 20.740 7.631 7.604 1.00 0.84 C ATOM 395 C GLN A 26 21.388 8.027 6.256 1.00 0.78 C ATOM 396 O GLN A 26 22.402 8.733 6.248 1.00 0.89 O ATOM 397 CB GLN A 26 21.261 6.253 8.081 1.00 1.01 C ATOM 398 CG GLN A 26 22.689 6.265 8.632 1.00 1.22 C ATOM 399 CD GLN A 26 23.189 4.876 9.043 1.00 1.49 C ATOM 400 OE1 GLN A 26 22.832 3.869 8.431 1.00 1.63 O ATOM 401 NE2 GLN A 26 24.022 4.813 10.084 1.00 1.80 N ATOM 0 H GLN A 26 18.878 6.663 7.403 1.00 0.73 H new ATOM 0 HA GLN A 26 21.023 8.396 8.327 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.591 5.874 8.853 1.00 1.01 H new ATOM 0 HB3 GLN A 26 21.214 5.553 7.247 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.359 6.677 7.877 1.00 1.22 H new ATOM 0 HG3 GLN A 26 22.733 6.930 9.495 1.00 1.22 H new ATOM 0 HE21 GLN A 26 24.298 5.667 10.569 1.00 1.80 H new ATOM 0 HE22 GLN A 26 24.383 3.911 10.395 1.00 1.80 H new ATOM 410 N GLU A 27 20.803 7.571 5.125 1.00 0.70 N ATOM 411 CA GLU A 27 21.325 7.878 3.772 1.00 0.76 C ATOM 412 C GLU A 27 20.576 9.080 3.139 1.00 0.93 C ATOM 413 O GLU A 27 19.747 9.710 3.806 1.00 1.59 O ATOM 414 CB GLU A 27 21.229 6.621 2.875 1.00 0.92 C ATOM 415 CG GLU A 27 22.035 5.415 3.378 1.00 1.09 C ATOM 416 CD GLU A 27 23.543 5.591 3.252 1.00 1.27 C ATOM 417 OE1 GLU A 27 24.152 6.179 4.173 1.00 1.46 O ATOM 418 OE2 GLU A 27 24.114 5.136 2.237 1.00 1.52 O ATOM 0 H GLU A 27 19.967 6.987 5.122 1.00 0.70 H new ATOM 0 HA GLU A 27 22.373 8.164 3.860 1.00 0.76 H new ATOM 0 HB2 GLU A 27 20.182 6.331 2.789 1.00 0.92 H new ATOM 0 HB3 GLU A 27 21.572 6.878 1.873 1.00 0.92 H new ATOM 0 HG2 GLU A 27 21.785 5.233 4.423 1.00 1.09 H new ATOM 0 HG3 GLU A 27 21.733 4.529 2.819 1.00 1.09 H new ATOM 425 N GLY A 28 20.887 9.402 1.852 1.00 0.79 N ATOM 426 CA GLY A 28 20.257 10.529 1.142 1.00 0.92 C ATOM 427 C GLY A 28 18.728 10.524 1.181 1.00 0.73 C ATOM 428 O GLY A 28 18.112 9.458 1.069 1.00 0.72 O ATOM 0 H GLY A 28 21.571 8.891 1.294 1.00 0.79 H new ATOM 0 HA2 GLY A 28 20.616 11.462 1.575 1.00 0.92 H new ATOM 0 HA3 GLY A 28 20.582 10.515 0.102 1.00 0.92 H new ATOM 432 N ARG A 29 18.123 11.732 1.339 1.00 0.72 N ATOM 433 CA ARG A 29 16.653 11.926 1.425 1.00 0.71 C ATOM 434 C ARG A 29 16.091 11.251 2.688 1.00 0.68 C ATOM 435 O ARG A 29 16.227 10.037 2.865 1.00 0.76 O ATOM 436 CB ARG A 29 15.906 11.442 0.144 1.00 0.73 C ATOM 437 CG ARG A 29 15.872 12.469 -1.001 1.00 0.92 C ATOM 438 CD ARG A 29 17.243 12.691 -1.647 1.00 1.31 C ATOM 439 NE ARG A 29 17.247 13.853 -2.561 1.00 1.46 N ATOM 440 CZ ARG A 29 18.291 14.689 -2.766 1.00 1.91 C ATOM 441 NH1 ARG A 29 19.485 14.482 -2.190 1.00 2.60 N ATOM 442 NH2 ARG A 29 18.140 15.736 -3.579 1.00 2.05 N ATOM 0 H ARG A 29 18.647 12.604 1.411 1.00 0.72 H new ATOM 0 HA ARG A 29 16.475 12.999 1.496 1.00 0.71 H new ATOM 0 HB2 ARG A 29 16.383 10.530 -0.217 1.00 0.73 H new ATOM 0 HB3 ARG A 29 14.882 11.182 0.412 1.00 0.73 H new ATOM 0 HG2 ARG A 29 15.168 12.133 -1.762 1.00 0.92 H new ATOM 0 HG3 ARG A 29 15.499 13.419 -0.619 1.00 0.92 H new ATOM 0 HD2 ARG A 29 17.990 12.841 -0.868 1.00 1.31 H new ATOM 0 HD3 ARG A 29 17.533 11.796 -2.198 1.00 1.31 H new ATOM 0 HE ARG A 29 16.390 14.040 -3.081 1.00 1.46 H new ATOM 0 HH11 ARG A 29 19.624 13.677 -1.579 1.00 2.60 H new ATOM 0 HH12 ARG A 29 20.254 15.129 -2.363 1.00 2.60 H new ATOM 0 HH21 ARG A 29 17.244 15.900 -4.039 1.00 2.05 H new ATOM 0 HH22 ARG A 29 18.920 16.373 -3.741 1.00 2.05 H new ATOM 456 N LYS A 30 15.459 12.051 3.564 1.00 0.67 N ATOM 457 CA LYS A 30 14.888 11.540 4.828 1.00 0.67 C ATOM 458 C LYS A 30 13.635 10.681 4.586 1.00 0.66 C ATOM 459 O LYS A 30 13.340 9.788 5.389 1.00 0.72 O ATOM 460 CB LYS A 30 14.564 12.702 5.790 1.00 0.76 C ATOM 461 CG LYS A 30 15.789 13.527 6.210 1.00 0.82 C ATOM 462 CD LYS A 30 16.675 12.794 7.220 1.00 0.89 C ATOM 463 CE LYS A 30 17.893 13.624 7.632 1.00 1.00 C ATOM 464 NZ LYS A 30 18.922 13.715 6.550 1.00 1.22 N ATOM 0 H LYS A 30 15.329 13.053 3.423 1.00 0.67 H new ATOM 0 HA LYS A 30 15.642 10.901 5.288 1.00 0.67 H new ATOM 0 HB2 LYS A 30 13.840 13.363 5.314 1.00 0.76 H new ATOM 0 HB3 LYS A 30 14.087 12.298 6.683 1.00 0.76 H new ATOM 0 HG2 LYS A 30 16.378 13.772 5.326 1.00 0.82 H new ATOM 0 HG3 LYS A 30 15.456 14.471 6.642 1.00 0.82 H new ATOM 0 HD2 LYS A 30 16.088 12.550 8.105 1.00 0.89 H new ATOM 0 HD3 LYS A 30 17.010 11.850 6.789 1.00 0.89 H new ATOM 0 HE2 LYS A 30 17.568 14.628 7.904 1.00 1.00 H new ATOM 0 HE3 LYS A 30 18.344 13.183 8.521 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.725 14.287 6.881 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 19.255 12.760 6.306 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 18.503 14.161 5.709 1.00 1.22 H new ATOM 478 N ASP A 31 12.907 10.952 3.482 1.00 0.66 N ATOM 479 CA ASP A 31 11.693 10.198 3.128 1.00 0.71 C ATOM 480 C ASP A 31 12.013 9.108 2.082 1.00 0.64 C ATOM 481 O ASP A 31 11.386 9.052 1.014 1.00 0.89 O ATOM 482 CB ASP A 31 10.605 11.162 2.608 1.00 0.87 C ATOM 483 CG ASP A 31 10.237 12.242 3.621 1.00 1.03 C ATOM 484 OD1 ASP A 31 9.417 11.961 4.519 1.00 1.38 O ATOM 485 OD2 ASP A 31 10.778 13.363 3.515 1.00 1.43 O ATOM 0 H ASP A 31 13.143 11.691 2.820 1.00 0.66 H new ATOM 0 HA ASP A 31 11.315 9.701 4.021 1.00 0.71 H new ATOM 0 HB2 ASP A 31 10.954 11.635 1.690 1.00 0.87 H new ATOM 0 HB3 ASP A 31 9.712 10.591 2.352 1.00 0.87 H new ATOM 490 N SER A 32 12.996 8.235 2.400 1.00 0.65 N ATOM 491 CA SER A 32 13.411 7.146 1.493 1.00 0.58 C ATOM 492 C SER A 32 14.097 5.993 2.245 1.00 0.56 C ATOM 493 O SER A 32 14.702 6.206 3.300 1.00 0.63 O ATOM 494 CB SER A 32 14.364 7.687 0.413 1.00 0.58 C ATOM 495 OG SER A 32 15.635 8.027 0.950 1.00 1.09 O ATOM 0 H SER A 32 13.515 8.265 3.278 1.00 0.65 H new ATOM 0 HA SER A 32 12.505 6.754 1.030 1.00 0.58 H new ATOM 0 HB2 SER A 32 14.489 6.938 -0.369 1.00 0.58 H new ATOM 0 HB3 SER A 32 13.921 8.566 -0.055 1.00 0.58 H new ATOM 0 HG SER A 32 15.531 8.751 1.602 1.00 1.09 H new ATOM 501 N LEU A 33 14.000 4.773 1.675 1.00 0.54 N ATOM 502 CA LEU A 33 14.621 3.570 2.248 1.00 0.54 C ATOM 503 C LEU A 33 15.863 3.192 1.419 1.00 0.52 C ATOM 504 O LEU A 33 15.759 3.007 0.205 1.00 0.66 O ATOM 505 CB LEU A 33 13.617 2.391 2.287 1.00 0.55 C ATOM 506 CG LEU A 33 12.337 2.600 3.142 1.00 0.67 C ATOM 507 CD1 LEU A 33 11.280 3.426 2.393 1.00 0.76 C ATOM 508 CD2 LEU A 33 11.752 1.253 3.573 1.00 0.75 C ATOM 0 H LEU A 33 13.490 4.599 0.809 1.00 0.54 H new ATOM 0 HA LEU A 33 14.921 3.784 3.274 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.312 2.168 1.264 1.00 0.55 H new ATOM 0 HB3 LEU A 33 14.139 1.511 2.663 1.00 0.55 H new ATOM 0 HG LEU A 33 12.626 3.161 4.031 1.00 0.67 H new ATOM 0 HD11 LEU A 33 10.400 3.550 3.025 1.00 0.76 H new ATOM 0 HD12 LEU A 33 11.691 4.405 2.147 1.00 0.76 H new ATOM 0 HD13 LEU A 33 10.998 2.910 1.475 1.00 0.76 H new ATOM 0 HD21 LEU A 33 10.856 1.420 4.171 1.00 0.75 H new ATOM 0 HD22 LEU A 33 11.495 0.669 2.690 1.00 0.75 H new ATOM 0 HD23 LEU A 33 12.488 0.710 4.166 1.00 0.75 H new ATOM 520 N SER A 34 17.035 3.087 2.078 1.00 0.50 N ATOM 521 CA SER A 34 18.306 2.746 1.395 1.00 0.52 C ATOM 522 C SER A 34 18.241 1.374 0.694 1.00 0.47 C ATOM 523 O SER A 34 17.478 0.493 1.105 1.00 0.47 O ATOM 524 CB SER A 34 19.472 2.762 2.398 1.00 0.62 C ATOM 525 OG SER A 34 20.720 2.543 1.751 1.00 0.68 O ATOM 0 H SER A 34 17.131 3.233 3.083 1.00 0.50 H new ATOM 0 HA SER A 34 18.471 3.503 0.628 1.00 0.52 H new ATOM 0 HB2 SER A 34 19.493 3.720 2.917 1.00 0.62 H new ATOM 0 HB3 SER A 34 19.313 1.993 3.154 1.00 0.62 H new ATOM 0 HG SER A 34 21.417 2.402 2.425 1.00 0.68 H new ATOM 531 N VAL A 35 19.063 1.203 -0.364 1.00 0.50 N ATOM 532 CA VAL A 35 19.110 -0.051 -1.146 1.00 0.49 C ATOM 533 C VAL A 35 19.670 -1.245 -0.327 1.00 0.45 C ATOM 534 O VAL A 35 19.315 -2.397 -0.596 1.00 0.46 O ATOM 535 CB VAL A 35 19.930 0.142 -2.472 1.00 0.59 C ATOM 536 CG1 VAL A 35 21.442 0.257 -2.220 1.00 0.63 C ATOM 537 CG2 VAL A 35 19.620 -0.966 -3.488 1.00 0.64 C ATOM 0 H VAL A 35 19.706 1.922 -0.697 1.00 0.50 H new ATOM 0 HA VAL A 35 18.079 -0.295 -1.403 1.00 0.49 H new ATOM 0 HB VAL A 35 19.609 1.092 -2.899 1.00 0.59 H new ATOM 0 HG11 VAL A 35 21.960 0.389 -3.170 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.639 1.115 -1.577 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.800 -0.651 -1.734 1.00 0.63 H new ATOM 0 HG21 VAL A 35 20.204 -0.803 -4.394 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.878 -1.935 -3.060 1.00 0.64 H new ATOM 0 HG23 VAL A 35 18.558 -0.949 -3.733 1.00 0.64 H new ATOM 547 N ASN A 36 20.544 -0.955 0.663 1.00 0.45 N ATOM 548 CA ASN A 36 21.161 -1.992 1.515 1.00 0.46 C ATOM 549 C ASN A 36 20.387 -2.209 2.836 1.00 0.44 C ATOM 550 O ASN A 36 20.501 -3.278 3.440 1.00 0.55 O ATOM 551 CB ASN A 36 22.627 -1.606 1.813 1.00 0.55 C ATOM 552 CG ASN A 36 23.487 -2.776 2.287 1.00 0.64 C ATOM 553 OD1 ASN A 36 24.079 -3.486 1.475 1.00 0.82 O ATOM 554 ND2 ASN A 36 23.556 -2.986 3.604 1.00 0.77 N ATOM 0 H ASN A 36 20.838 -0.005 0.891 1.00 0.45 H new ATOM 0 HA ASN A 36 21.125 -2.935 0.969 1.00 0.46 H new ATOM 0 HB2 ASN A 36 23.072 -1.181 0.913 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.640 -0.826 2.574 1.00 0.55 H new ATOM 0 HD21 ASN A 36 24.114 -3.758 3.969 1.00 0.77 H new ATOM 0 HD22 ASN A 36 23.050 -2.375 4.245 1.00 0.77 H new ATOM 561 N GLU A 37 19.600 -1.200 3.278 1.00 0.44 N ATOM 562 CA GLU A 37 18.829 -1.290 4.540 1.00 0.46 C ATOM 563 C GLU A 37 17.445 -1.943 4.344 1.00 0.41 C ATOM 564 O GLU A 37 16.934 -2.578 5.274 1.00 0.43 O ATOM 565 CB GLU A 37 18.668 0.102 5.179 1.00 0.55 C ATOM 566 CG GLU A 37 19.988 0.753 5.586 1.00 0.70 C ATOM 567 CD GLU A 37 19.795 2.047 6.358 1.00 0.83 C ATOM 568 OE1 GLU A 37 19.451 3.070 5.730 1.00 1.25 O ATOM 569 OE2 GLU A 37 19.988 2.035 7.592 1.00 1.54 O ATOM 0 H GLU A 37 19.483 -0.317 2.781 1.00 0.44 H new ATOM 0 HA GLU A 37 19.400 -1.933 5.210 1.00 0.46 H new ATOM 0 HB2 GLU A 37 18.153 0.756 4.476 1.00 0.55 H new ATOM 0 HB3 GLU A 37 18.030 0.015 6.059 1.00 0.55 H new ATOM 0 HG2 GLU A 37 20.559 0.054 6.196 1.00 0.70 H new ATOM 0 HG3 GLU A 37 20.579 0.953 4.693 1.00 0.70 H new ATOM 576 N PHE A 38 16.834 -1.779 3.148 1.00 0.40 N ATOM 577 CA PHE A 38 15.509 -2.376 2.855 1.00 0.39 C ATOM 578 C PHE A 38 15.616 -3.908 2.673 1.00 0.37 C ATOM 579 O PHE A 38 14.718 -4.644 3.086 1.00 0.40 O ATOM 580 CB PHE A 38 14.852 -1.692 1.618 1.00 0.43 C ATOM 581 CG PHE A 38 14.991 -2.426 0.288 1.00 0.41 C ATOM 582 CD1 PHE A 38 16.119 -2.264 -0.504 1.00 0.49 C ATOM 583 CD2 PHE A 38 13.993 -3.288 -0.154 1.00 0.50 C ATOM 584 CE1 PHE A 38 16.246 -2.939 -1.706 1.00 0.61 C ATOM 585 CE2 PHE A 38 14.115 -3.962 -1.353 1.00 0.61 C ATOM 586 CZ PHE A 38 15.241 -3.788 -2.130 1.00 0.65 C ATOM 0 H PHE A 38 17.232 -1.244 2.376 1.00 0.40 H new ATOM 0 HA PHE A 38 14.859 -2.197 3.712 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.790 -1.557 1.825 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.284 -0.698 1.507 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.908 -1.603 -0.178 1.00 0.49 H new ATOM 0 HD2 PHE A 38 13.109 -3.432 0.450 1.00 0.50 H new ATOM 0 HE1 PHE A 38 17.130 -2.802 -2.312 1.00 0.61 H new ATOM 0 HE2 PHE A 38 13.329 -4.625 -1.682 1.00 0.61 H new ATOM 0 HZ PHE A 38 15.337 -4.314 -3.068 1.00 0.65 H new ATOM 596 N LYS A 39 16.727 -4.367 2.052 1.00 0.37 N ATOM 597 CA LYS A 39 16.981 -5.803 1.801 1.00 0.40 C ATOM 598 C LYS A 39 17.142 -6.585 3.121 1.00 0.38 C ATOM 599 O LYS A 39 16.647 -7.711 3.239 1.00 0.42 O ATOM 600 CB LYS A 39 18.243 -5.965 0.926 1.00 0.46 C ATOM 601 CG LYS A 39 18.511 -7.387 0.429 1.00 0.55 C ATOM 602 CD LYS A 39 19.740 -7.445 -0.480 1.00 0.64 C ATOM 603 CE LYS A 39 20.098 -8.876 -0.884 1.00 0.76 C ATOM 604 NZ LYS A 39 19.067 -9.499 -1.768 1.00 0.87 N ATOM 0 H LYS A 39 17.469 -3.755 1.713 1.00 0.37 H new ATOM 0 HA LYS A 39 16.120 -6.215 1.274 1.00 0.40 H new ATOM 0 HB2 LYS A 39 18.154 -5.306 0.062 1.00 0.46 H new ATOM 0 HB3 LYS A 39 19.108 -5.628 1.497 1.00 0.46 H new ATOM 0 HG2 LYS A 39 18.658 -8.049 1.282 1.00 0.55 H new ATOM 0 HG3 LYS A 39 17.639 -7.754 -0.113 1.00 0.55 H new ATOM 0 HD2 LYS A 39 19.554 -6.853 -1.376 1.00 0.64 H new ATOM 0 HD3 LYS A 39 20.589 -6.991 0.032 1.00 0.64 H new ATOM 0 HE2 LYS A 39 21.059 -8.875 -1.398 1.00 0.76 H new ATOM 0 HE3 LYS A 39 20.217 -9.484 0.013 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 19.358 -10.467 -2.012 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 18.154 -9.527 -1.270 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 18.970 -8.937 -2.638 1.00 0.87 H new ATOM 618 N GLU A 40 17.839 -5.974 4.102 1.00 0.38 N ATOM 619 CA GLU A 40 18.071 -6.590 5.423 1.00 0.40 C ATOM 620 C GLU A 40 16.784 -6.613 6.273 1.00 0.40 C ATOM 621 O GLU A 40 16.620 -7.499 7.115 1.00 0.44 O ATOM 622 CB GLU A 40 19.194 -5.843 6.168 1.00 0.45 C ATOM 623 CG GLU A 40 20.561 -5.968 5.500 1.00 0.49 C ATOM 624 CD GLU A 40 21.661 -5.244 6.260 1.00 0.59 C ATOM 625 OE1 GLU A 40 21.800 -4.014 6.080 1.00 0.64 O ATOM 626 OE2 GLU A 40 22.381 -5.908 7.038 1.00 0.73 O ATOM 0 H GLU A 40 18.253 -5.047 4.001 1.00 0.38 H new ATOM 0 HA GLU A 40 18.377 -7.623 5.261 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.930 -4.788 6.241 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.260 -6.226 7.186 1.00 0.45 H new ATOM 0 HG2 GLU A 40 20.821 -7.023 5.412 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.503 -5.568 4.488 1.00 0.49 H new ATOM 633 N LEU A 41 15.879 -5.630 6.049 1.00 0.39 N ATOM 634 CA LEU A 41 14.593 -5.554 6.775 1.00 0.41 C ATOM 635 C LEU A 41 13.680 -6.736 6.392 1.00 0.40 C ATOM 636 O LEU A 41 12.958 -7.264 7.242 1.00 0.44 O ATOM 637 CB LEU A 41 13.885 -4.210 6.483 1.00 0.44 C ATOM 638 CG LEU A 41 12.674 -3.866 7.383 1.00 0.55 C ATOM 639 CD1 LEU A 41 13.106 -3.645 8.839 1.00 0.65 C ATOM 640 CD2 LEU A 41 11.926 -2.649 6.834 1.00 0.58 C ATOM 0 H LEU A 41 16.018 -4.880 5.371 1.00 0.39 H new ATOM 0 HA LEU A 41 14.800 -5.613 7.843 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.619 -3.409 6.575 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.550 -4.218 5.446 1.00 0.44 H new ATOM 0 HG LEU A 41 11.992 -4.716 7.373 1.00 0.55 H new ATOM 0 HD11 LEU A 41 12.233 -3.405 9.445 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.575 -4.552 9.221 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.818 -2.821 8.886 1.00 0.65 H new ATOM 0 HD21 LEU A 41 11.078 -2.422 7.480 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.599 -1.792 6.803 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.568 -2.865 5.827 1.00 0.58 H new ATOM 652 N VAL A 42 13.722 -7.137 5.102 1.00 0.36 N ATOM 653 CA VAL A 42 12.921 -8.265 4.590 1.00 0.37 C ATOM 654 C VAL A 42 13.500 -9.622 5.067 1.00 0.38 C ATOM 655 O VAL A 42 12.755 -10.596 5.176 1.00 0.41 O ATOM 656 CB VAL A 42 12.812 -8.226 3.021 1.00 0.40 C ATOM 657 CG1 VAL A 42 12.027 -9.423 2.457 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.176 -6.908 2.555 1.00 0.41 C ATOM 0 H VAL A 42 14.307 -6.691 4.395 1.00 0.36 H new ATOM 0 HA VAL A 42 11.915 -8.163 4.997 1.00 0.37 H new ATOM 0 HB VAL A 42 13.828 -8.292 2.632 1.00 0.40 H new ATOM 0 HG11 VAL A 42 11.981 -9.348 1.371 1.00 0.45 H new ATOM 0 HG12 VAL A 42 12.527 -10.350 2.736 1.00 0.45 H new ATOM 0 HG13 VAL A 42 11.016 -9.419 2.864 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.110 -6.901 1.467 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.177 -6.816 2.980 1.00 0.41 H new ATOM 0 HG23 VAL A 42 12.790 -6.071 2.887 1.00 0.41 H new ATOM 668 N THR A 43 14.820 -9.672 5.373 1.00 0.39 N ATOM 669 CA THR A 43 15.481 -10.911 5.833 1.00 0.42 C ATOM 670 C THR A 43 15.745 -10.909 7.366 1.00 0.49 C ATOM 671 O THR A 43 16.675 -11.577 7.835 1.00 0.80 O ATOM 672 CB THR A 43 16.824 -11.135 5.052 1.00 0.45 C ATOM 673 OG1 THR A 43 16.680 -10.735 3.676 1.00 0.46 O ATOM 674 CG2 THR A 43 17.287 -12.599 5.101 1.00 0.50 C ATOM 0 H THR A 43 15.444 -8.868 5.308 1.00 0.39 H new ATOM 0 HA THR A 43 14.798 -11.735 5.624 1.00 0.42 H new ATOM 0 HB THR A 43 17.579 -10.521 5.543 1.00 0.45 H new ATOM 0 HG1 THR A 43 16.676 -9.757 3.618 1.00 0.46 H new ATOM 0 HG21 THR A 43 18.220 -12.704 4.547 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.445 -12.896 6.138 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.525 -13.237 4.653 1.00 0.50 H new ATOM 682 N GLN A 44 14.923 -10.175 8.159 1.00 0.41 N ATOM 683 CA GLN A 44 15.105 -10.130 9.626 1.00 0.44 C ATOM 684 C GLN A 44 13.781 -9.837 10.368 1.00 0.44 C ATOM 685 O GLN A 44 13.303 -10.686 11.128 1.00 0.50 O ATOM 686 CB GLN A 44 16.195 -9.099 10.006 1.00 0.48 C ATOM 687 CG GLN A 44 16.734 -9.251 11.431 1.00 0.65 C ATOM 688 CD GLN A 44 18.042 -8.504 11.661 1.00 0.77 C ATOM 689 OE1 GLN A 44 19.125 -9.056 11.462 1.00 1.02 O ATOM 690 NE2 GLN A 44 17.954 -7.241 12.082 1.00 1.10 N ATOM 0 H GLN A 44 14.143 -9.617 7.812 1.00 0.41 H new ATOM 0 HA GLN A 44 15.435 -11.119 9.945 1.00 0.44 H new ATOM 0 HB2 GLN A 44 17.024 -9.189 9.304 1.00 0.48 H new ATOM 0 HB3 GLN A 44 15.786 -8.095 9.889 1.00 0.48 H new ATOM 0 HG2 GLN A 44 15.987 -8.887 12.136 1.00 0.65 H new ATOM 0 HG3 GLN A 44 16.885 -10.309 11.644 1.00 0.65 H new ATOM 0 HE21 GLN A 44 17.039 -6.817 12.236 1.00 1.10 H new ATOM 0 HE22 GLN A 44 18.802 -6.699 12.250 1.00 1.10 H new ATOM 699 N GLN A 45 13.191 -8.645 10.139 1.00 0.41 N ATOM 700 CA GLN A 45 11.930 -8.244 10.803 1.00 0.43 C ATOM 701 C GLN A 45 10.690 -8.458 9.897 1.00 0.41 C ATOM 702 O GLN A 45 9.559 -8.295 10.365 1.00 0.45 O ATOM 703 CB GLN A 45 12.016 -6.764 11.260 1.00 0.47 C ATOM 704 CG GLN A 45 10.957 -6.348 12.295 1.00 0.59 C ATOM 705 CD GLN A 45 11.225 -4.985 12.932 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.850 -4.109 12.328 1.00 0.65 O ATOM 707 NE2 GLN A 45 10.740 -4.786 14.162 1.00 0.84 N ATOM 0 H GLN A 45 13.566 -7.944 9.501 1.00 0.41 H new ATOM 0 HA GLN A 45 11.803 -8.887 11.674 1.00 0.43 H new ATOM 0 HB2 GLN A 45 13.005 -6.585 11.681 1.00 0.47 H new ATOM 0 HB3 GLN A 45 11.921 -6.122 10.385 1.00 0.47 H new ATOM 0 HG2 GLN A 45 9.979 -6.329 11.814 1.00 0.59 H new ATOM 0 HG3 GLN A 45 10.912 -7.103 13.079 1.00 0.59 H new ATOM 0 HE21 GLN A 45 10.227 -5.530 14.635 1.00 0.84 H new ATOM 0 HE22 GLN A 45 10.883 -3.890 14.628 1.00 0.84 H new ATOM 716 N LEU A 46 10.895 -8.827 8.610 1.00 0.40 N ATOM 717 CA LEU A 46 9.783 -9.058 7.667 1.00 0.40 C ATOM 718 C LEU A 46 10.055 -10.286 6.738 1.00 0.40 C ATOM 719 O LEU A 46 9.858 -10.188 5.521 1.00 0.42 O ATOM 720 CB LEU A 46 9.575 -7.759 6.847 1.00 0.41 C ATOM 721 CG LEU A 46 8.236 -7.633 6.073 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.375 -6.497 6.647 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.485 -7.417 4.577 1.00 0.67 C ATOM 0 H LEU A 46 11.820 -8.970 8.205 1.00 0.40 H new ATOM 0 HA LEU A 46 8.875 -9.297 8.221 1.00 0.40 H new ATOM 0 HB2 LEU A 46 9.657 -6.911 7.526 1.00 0.41 H new ATOM 0 HB3 LEU A 46 10.392 -7.674 6.131 1.00 0.41 H new ATOM 0 HG LEU A 46 7.691 -8.569 6.195 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.442 -6.429 6.087 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.156 -6.701 7.695 1.00 0.59 H new ATOM 0 HD13 LEU A 46 7.916 -5.554 6.566 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.530 -7.332 4.058 1.00 0.67 H new ATOM 0 HD22 LEU A 46 9.060 -6.502 4.432 1.00 0.67 H new ATOM 0 HD23 LEU A 46 9.042 -8.263 4.175 1.00 0.67 H new ATOM 735 N PRO A 47 10.500 -11.476 7.285 1.00 0.42 N ATOM 736 CA PRO A 47 10.782 -12.673 6.459 1.00 0.45 C ATOM 737 C PRO A 47 9.568 -13.593 6.184 1.00 0.47 C ATOM 738 O PRO A 47 9.485 -14.180 5.102 1.00 0.52 O ATOM 739 CB PRO A 47 11.831 -13.408 7.299 1.00 0.49 C ATOM 740 CG PRO A 47 11.462 -13.113 8.715 1.00 0.49 C ATOM 741 CD PRO A 47 10.806 -11.749 8.721 1.00 0.46 C ATOM 0 HA PRO A 47 11.095 -12.385 5.455 1.00 0.45 H new ATOM 0 HB2 PRO A 47 11.816 -14.480 7.101 1.00 0.49 H new ATOM 0 HB3 PRO A 47 12.837 -13.056 7.071 1.00 0.49 H new ATOM 0 HG2 PRO A 47 10.781 -13.871 9.103 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.345 -13.120 9.354 1.00 0.49 H new ATOM 0 HD2 PRO A 47 9.900 -11.747 9.327 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.470 -10.991 9.137 1.00 0.46 H new ATOM 749 N HIS A 48 8.637 -13.723 7.155 1.00 0.47 N ATOM 750 CA HIS A 48 7.454 -14.606 7.000 1.00 0.52 C ATOM 751 C HIS A 48 6.389 -14.015 6.048 1.00 0.50 C ATOM 752 O HIS A 48 5.548 -14.756 5.532 1.00 0.57 O ATOM 753 CB HIS A 48 6.821 -14.919 8.376 1.00 0.57 C ATOM 754 CG HIS A 48 7.783 -15.521 9.366 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.534 -14.763 10.242 1.00 0.69 N ATOM 756 CD2 HIS A 48 8.128 -16.811 9.600 1.00 0.79 C ATOM 757 CE1 HIS A 48 9.299 -15.560 10.967 1.00 0.80 C ATOM 758 NE2 HIS A 48 9.069 -16.806 10.599 1.00 0.85 N ATOM 0 H HIS A 48 8.679 -13.233 8.049 1.00 0.47 H new ATOM 0 HA HIS A 48 7.813 -15.531 6.549 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.412 -14.000 8.795 1.00 0.57 H new ATOM 0 HB3 HIS A 48 5.985 -15.604 8.233 1.00 0.57 H new ATOM 0 HD2 HIS A 48 7.735 -17.681 9.094 1.00 0.79 H new ATOM 0 HE1 HIS A 48 9.994 -15.245 11.731 1.00 0.80 H new ATOM 0 HE2 HIS A 48 9.518 -17.632 10.993 1.00 0.85 H new ATOM 767 N LEU A 49 6.429 -12.683 5.818 1.00 0.46 N ATOM 768 CA LEU A 49 5.470 -12.000 4.931 1.00 0.46 C ATOM 769 C LEU A 49 5.782 -12.302 3.452 1.00 0.45 C ATOM 770 O LEU A 49 4.917 -12.792 2.727 1.00 0.53 O ATOM 771 CB LEU A 49 5.483 -10.477 5.205 1.00 0.47 C ATOM 772 CG LEU A 49 4.443 -9.616 4.447 1.00 0.50 C ATOM 773 CD1 LEU A 49 3.021 -10.142 4.643 1.00 0.87 C ATOM 774 CD2 LEU A 49 4.539 -8.157 4.899 1.00 0.53 C ATOM 0 H LEU A 49 7.120 -12.061 6.238 1.00 0.46 H new ATOM 0 HA LEU A 49 4.469 -12.377 5.141 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.334 -10.324 6.274 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.476 -10.098 4.964 1.00 0.47 H new ATOM 0 HG LEU A 49 4.671 -9.678 3.383 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.321 -9.511 4.096 1.00 0.87 H new ATOM 0 HD12 LEU A 49 2.956 -11.164 4.270 1.00 0.87 H new ATOM 0 HD13 LEU A 49 2.770 -10.127 5.704 1.00 0.87 H new ATOM 0 HD21 LEU A 49 3.803 -7.560 4.360 1.00 0.53 H new ATOM 0 HD22 LEU A 49 4.343 -8.094 5.969 1.00 0.53 H new ATOM 0 HD23 LEU A 49 5.539 -7.776 4.690 1.00 0.53 H new ATOM 786 N LEU A 50 7.020 -12.000 3.017 1.00 0.43 N ATOM 787 CA LEU A 50 7.458 -12.265 1.639 1.00 0.45 C ATOM 788 C LEU A 50 8.195 -13.613 1.581 1.00 0.48 C ATOM 789 O LEU A 50 9.229 -13.785 2.237 1.00 0.54 O ATOM 790 CB LEU A 50 8.367 -11.125 1.123 1.00 0.48 C ATOM 791 CG LEU A 50 7.709 -9.727 1.003 1.00 0.57 C ATOM 792 CD1 LEU A 50 8.767 -8.653 0.741 1.00 0.66 C ATOM 793 CD2 LEU A 50 6.636 -9.704 -0.095 1.00 0.73 C ATOM 0 H LEU A 50 7.735 -11.571 3.605 1.00 0.43 H new ATOM 0 HA LEU A 50 6.581 -12.311 0.993 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.226 -11.043 1.789 1.00 0.48 H new ATOM 0 HB3 LEU A 50 8.750 -11.409 0.143 1.00 0.48 H new ATOM 0 HG LEU A 50 7.219 -9.510 1.952 1.00 0.57 H new ATOM 0 HD11 LEU A 50 8.284 -7.679 0.660 1.00 0.66 H new ATOM 0 HD12 LEU A 50 9.481 -8.637 1.565 1.00 0.66 H new ATOM 0 HD13 LEU A 50 9.290 -8.877 -0.188 1.00 0.66 H new ATOM 0 HD21 LEU A 50 6.195 -8.709 -0.152 1.00 0.73 H new ATOM 0 HD22 LEU A 50 7.091 -9.955 -1.053 1.00 0.73 H new ATOM 0 HD23 LEU A 50 5.859 -10.432 0.140 1.00 0.73 H new ATOM 805 N LYS A 51 7.644 -14.571 0.805 1.00 0.55 N ATOM 806 CA LYS A 51 8.241 -15.921 0.661 1.00 0.66 C ATOM 807 C LYS A 51 9.645 -15.878 0.013 1.00 0.63 C ATOM 808 O LYS A 51 10.480 -16.744 0.298 1.00 0.76 O ATOM 809 CB LYS A 51 7.304 -16.870 -0.132 1.00 0.78 C ATOM 810 CG LYS A 51 6.938 -16.403 -1.549 1.00 0.78 C ATOM 811 CD LYS A 51 6.260 -17.508 -2.370 1.00 1.18 C ATOM 812 CE LYS A 51 5.728 -16.990 -3.710 1.00 1.16 C ATOM 813 NZ LYS A 51 6.817 -16.530 -4.628 1.00 1.32 N ATOM 0 H LYS A 51 6.787 -14.437 0.268 1.00 0.55 H new ATOM 0 HA LYS A 51 8.361 -16.316 1.670 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.780 -17.848 -0.202 1.00 0.78 H new ATOM 0 HB3 LYS A 51 6.384 -17.003 0.437 1.00 0.78 H new ATOM 0 HG2 LYS A 51 6.273 -15.542 -1.485 1.00 0.78 H new ATOM 0 HG3 LYS A 51 7.840 -16.072 -2.064 1.00 0.78 H new ATOM 0 HD2 LYS A 51 6.972 -18.313 -2.551 1.00 1.18 H new ATOM 0 HD3 LYS A 51 5.438 -17.933 -1.795 1.00 1.18 H new ATOM 0 HE2 LYS A 51 5.157 -17.779 -4.198 1.00 1.16 H new ATOM 0 HE3 LYS A 51 5.040 -16.165 -3.528 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 6.400 -16.190 -5.518 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 7.348 -15.757 -4.177 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 7.461 -17.322 -4.827 1.00 1.32 H new ATOM 827 N ASP A 52 9.897 -14.873 -0.853 1.00 0.64 N ATOM 828 CA ASP A 52 11.196 -14.717 -1.524 1.00 0.71 C ATOM 829 C ASP A 52 12.062 -13.685 -0.768 1.00 0.59 C ATOM 830 O ASP A 52 11.953 -12.478 -1.010 1.00 0.73 O ATOM 831 CB ASP A 52 10.977 -14.295 -3.003 1.00 0.99 C ATOM 832 CG ASP A 52 12.174 -14.556 -3.914 1.00 1.46 C ATOM 833 OD1 ASP A 52 13.195 -15.098 -3.438 1.00 2.08 O ATOM 834 OD2 ASP A 52 12.082 -14.215 -5.115 1.00 2.02 O ATOM 0 H ASP A 52 9.213 -14.158 -1.101 1.00 0.64 H new ATOM 0 HA ASP A 52 11.726 -15.669 -1.517 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.112 -14.829 -3.397 1.00 0.99 H new ATOM 0 HB3 ASP A 52 10.737 -13.232 -3.034 1.00 0.99 H new ATOM 839 N VAL A 53 12.909 -14.168 0.171 1.00 0.51 N ATOM 840 CA VAL A 53 13.790 -13.285 0.973 1.00 0.52 C ATOM 841 C VAL A 53 15.221 -13.218 0.399 1.00 0.56 C ATOM 842 O VAL A 53 15.847 -12.154 0.426 1.00 0.71 O ATOM 843 CB VAL A 53 13.835 -13.687 2.491 1.00 0.59 C ATOM 844 CG1 VAL A 53 12.473 -13.469 3.156 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.307 -15.136 2.703 1.00 0.64 C ATOM 0 H VAL A 53 13.001 -15.160 0.392 1.00 0.51 H new ATOM 0 HA VAL A 53 13.345 -12.292 0.907 1.00 0.52 H new ATOM 0 HB VAL A 53 14.569 -13.035 2.964 1.00 0.59 H new ATOM 0 HG11 VAL A 53 12.531 -13.755 4.206 1.00 0.65 H new ATOM 0 HG12 VAL A 53 12.196 -12.418 3.081 1.00 0.65 H new ATOM 0 HG13 VAL A 53 11.722 -14.079 2.655 1.00 0.65 H new ATOM 0 HG21 VAL A 53 14.320 -15.362 3.769 1.00 0.64 H new ATOM 0 HG22 VAL A 53 13.625 -15.819 2.195 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.311 -15.255 2.295 1.00 0.64 H new ATOM 855 N GLY A 54 15.729 -14.356 -0.126 1.00 0.53 N ATOM 856 CA GLY A 54 17.076 -14.405 -0.699 1.00 0.64 C ATOM 857 C GLY A 54 17.162 -13.752 -2.075 1.00 0.61 C ATOM 858 O GLY A 54 18.024 -12.895 -2.297 1.00 0.83 O ATOM 0 H GLY A 54 15.224 -15.242 -0.161 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.771 -13.907 -0.023 1.00 0.64 H new ATOM 0 HA3 GLY A 54 17.395 -15.445 -0.776 1.00 0.64 H new ATOM 862 N SER A 55 16.267 -14.157 -3.001 1.00 0.57 N ATOM 863 CA SER A 55 16.237 -13.596 -4.362 1.00 0.58 C ATOM 864 C SER A 55 15.345 -12.339 -4.400 1.00 0.51 C ATOM 865 O SER A 55 14.208 -12.379 -4.882 1.00 0.62 O ATOM 866 CB SER A 55 15.753 -14.660 -5.368 1.00 0.74 C ATOM 867 OG SER A 55 16.012 -14.270 -6.706 1.00 0.85 O ATOM 0 H SER A 55 15.558 -14.870 -2.828 1.00 0.57 H new ATOM 0 HA SER A 55 17.246 -13.300 -4.648 1.00 0.58 H new ATOM 0 HB2 SER A 55 16.250 -15.608 -5.162 1.00 0.74 H new ATOM 0 HB3 SER A 55 14.684 -14.825 -5.237 1.00 0.74 H new ATOM 0 HG SER A 55 16.546 -13.448 -6.710 1.00 0.85 H new ATOM 873 N LEU A 56 15.880 -11.222 -3.870 1.00 0.49 N ATOM 874 CA LEU A 56 15.154 -9.936 -3.821 1.00 0.53 C ATOM 875 C LEU A 56 15.414 -9.067 -5.084 1.00 0.58 C ATOM 876 O LEU A 56 14.866 -7.969 -5.191 1.00 1.03 O ATOM 877 CB LEU A 56 15.541 -9.159 -2.523 1.00 0.67 C ATOM 878 CG LEU A 56 14.391 -8.504 -1.712 1.00 0.83 C ATOM 879 CD1 LEU A 56 13.612 -7.486 -2.547 1.00 1.22 C ATOM 880 CD2 LEU A 56 13.451 -9.562 -1.120 1.00 1.21 C ATOM 0 H LEU A 56 16.817 -11.184 -3.468 1.00 0.49 H new ATOM 0 HA LEU A 56 14.086 -10.155 -3.804 1.00 0.53 H new ATOM 0 HB2 LEU A 56 16.069 -9.848 -1.863 1.00 0.67 H new ATOM 0 HB3 LEU A 56 16.248 -8.376 -2.797 1.00 0.67 H new ATOM 0 HG LEU A 56 14.852 -7.964 -0.886 1.00 0.83 H new ATOM 0 HD11 LEU A 56 12.817 -7.051 -1.942 1.00 1.22 H new ATOM 0 HD12 LEU A 56 14.286 -6.697 -2.881 1.00 1.22 H new ATOM 0 HD13 LEU A 56 13.177 -7.983 -3.414 1.00 1.22 H new ATOM 0 HD21 LEU A 56 12.657 -9.070 -0.558 1.00 1.21 H new ATOM 0 HD22 LEU A 56 13.014 -10.152 -1.926 1.00 1.21 H new ATOM 0 HD23 LEU A 56 14.014 -10.217 -0.455 1.00 1.21 H new ATOM 892 N ASP A 57 16.227 -9.566 -6.050 1.00 0.49 N ATOM 893 CA ASP A 57 16.548 -8.821 -7.296 1.00 0.53 C ATOM 894 C ASP A 57 15.324 -8.637 -8.226 1.00 0.47 C ATOM 895 O ASP A 57 15.277 -7.671 -8.996 1.00 0.50 O ATOM 896 CB ASP A 57 17.703 -9.505 -8.068 1.00 0.67 C ATOM 897 CG ASP A 57 17.371 -10.914 -8.556 1.00 0.70 C ATOM 898 OD1 ASP A 57 17.578 -11.873 -7.784 1.00 0.77 O ATOM 899 OD2 ASP A 57 16.908 -11.051 -9.709 1.00 0.77 O ATOM 0 H ASP A 57 16.673 -10.482 -5.990 1.00 0.49 H new ATOM 0 HA ASP A 57 16.863 -7.826 -6.981 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.970 -8.887 -8.926 1.00 0.67 H new ATOM 0 HB3 ASP A 57 18.581 -9.552 -7.423 1.00 0.67 H new ATOM 904 N GLU A 58 14.347 -9.566 -8.158 1.00 0.46 N ATOM 905 CA GLU A 58 13.131 -9.493 -8.996 1.00 0.51 C ATOM 906 C GLU A 58 12.262 -8.267 -8.631 1.00 0.47 C ATOM 907 O GLU A 58 11.763 -7.580 -9.529 1.00 0.56 O ATOM 908 CB GLU A 58 12.319 -10.798 -8.877 1.00 0.60 C ATOM 909 CG GLU A 58 11.199 -10.939 -9.912 1.00 0.79 C ATOM 910 CD GLU A 58 10.498 -12.285 -9.857 1.00 0.92 C ATOM 911 OE1 GLU A 58 10.984 -13.236 -10.508 1.00 1.09 O ATOM 912 OE2 GLU A 58 9.461 -12.388 -9.167 1.00 1.02 O ATOM 0 H GLU A 58 14.376 -10.372 -7.534 1.00 0.46 H new ATOM 0 HA GLU A 58 13.445 -9.372 -10.033 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.998 -11.645 -8.976 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.885 -10.852 -7.879 1.00 0.60 H new ATOM 0 HG2 GLU A 58 10.466 -10.148 -9.754 1.00 0.79 H new ATOM 0 HG3 GLU A 58 11.614 -10.794 -10.909 1.00 0.79 H new ATOM 919 N LYS A 59 12.087 -7.999 -7.319 1.00 0.42 N ATOM 920 CA LYS A 59 11.292 -6.845 -6.847 1.00 0.47 C ATOM 921 C LYS A 59 12.163 -5.572 -6.760 1.00 0.53 C ATOM 922 O LYS A 59 11.658 -4.471 -6.997 1.00 0.91 O ATOM 923 CB LYS A 59 10.633 -7.135 -5.477 1.00 0.52 C ATOM 924 CG LYS A 59 9.437 -8.096 -5.527 1.00 0.60 C ATOM 925 CD LYS A 59 9.847 -9.552 -5.781 1.00 0.81 C ATOM 926 CE LYS A 59 8.673 -10.522 -5.643 1.00 1.17 C ATOM 927 NZ LYS A 59 9.032 -11.906 -6.075 1.00 1.55 N ATOM 0 H LYS A 59 12.485 -8.565 -6.569 1.00 0.42 H new ATOM 0 HA LYS A 59 10.500 -6.676 -7.577 1.00 0.47 H new ATOM 0 HB2 LYS A 59 11.387 -7.550 -4.808 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.305 -6.192 -5.041 1.00 0.52 H new ATOM 0 HG2 LYS A 59 8.891 -8.037 -4.585 1.00 0.60 H new ATOM 0 HG3 LYS A 59 8.753 -7.775 -6.312 1.00 0.60 H new ATOM 0 HD2 LYS A 59 10.270 -9.638 -6.782 1.00 0.81 H new ATOM 0 HD3 LYS A 59 10.631 -9.833 -5.078 1.00 0.81 H new ATOM 0 HE2 LYS A 59 8.340 -10.542 -4.605 1.00 1.17 H new ATOM 0 HE3 LYS A 59 7.835 -10.163 -6.240 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 8.277 -12.564 -5.794 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 9.144 -11.929 -7.109 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 9.925 -12.190 -5.624 1.00 1.55 H new ATOM 941 N MET A 60 13.467 -5.731 -6.428 1.00 0.39 N ATOM 942 CA MET A 60 14.415 -4.593 -6.316 1.00 0.41 C ATOM 943 C MET A 60 14.525 -3.794 -7.633 1.00 0.42 C ATOM 944 O MET A 60 14.614 -2.564 -7.598 1.00 0.46 O ATOM 945 CB MET A 60 15.808 -5.090 -5.873 1.00 0.45 C ATOM 946 CG MET A 60 16.796 -3.971 -5.515 1.00 0.53 C ATOM 947 SD MET A 60 18.347 -4.575 -4.808 1.00 0.66 S ATOM 948 CE MET A 60 19.117 -5.347 -6.230 1.00 0.84 C ATOM 0 H MET A 60 13.888 -6.639 -6.232 1.00 0.39 H new ATOM 0 HA MET A 60 14.018 -3.918 -5.558 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.689 -5.744 -5.009 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.236 -5.694 -6.673 1.00 0.45 H new ATOM 0 HG2 MET A 60 17.016 -3.391 -6.411 1.00 0.53 H new ATOM 0 HG3 MET A 60 16.322 -3.293 -4.805 1.00 0.53 H new ATOM 0 HE1 MET A 60 20.112 -5.700 -5.958 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.510 -6.190 -6.559 1.00 0.84 H new ATOM 0 HE3 MET A 60 19.198 -4.621 -7.039 1.00 0.84 H new ATOM 958 N LYS A 61 14.537 -4.500 -8.788 1.00 0.44 N ATOM 959 CA LYS A 61 14.612 -3.839 -10.112 1.00 0.49 C ATOM 960 C LYS A 61 13.322 -3.045 -10.410 1.00 0.46 C ATOM 961 O LYS A 61 13.383 -1.977 -11.028 1.00 0.49 O ATOM 962 CB LYS A 61 14.901 -4.864 -11.243 1.00 0.59 C ATOM 963 CG LYS A 61 16.335 -4.814 -11.793 1.00 0.70 C ATOM 964 CD LYS A 61 16.626 -3.547 -12.614 1.00 1.11 C ATOM 965 CE LYS A 61 15.875 -3.518 -13.949 1.00 1.90 C ATOM 966 NZ LYS A 61 16.318 -2.385 -14.814 1.00 2.56 N ATOM 0 H LYS A 61 14.496 -5.518 -8.830 1.00 0.44 H new ATOM 0 HA LYS A 61 15.444 -3.136 -10.079 1.00 0.49 H new ATOM 0 HB2 LYS A 61 14.704 -5.868 -10.866 1.00 0.59 H new ATOM 0 HB3 LYS A 61 14.204 -4.689 -12.063 1.00 0.59 H new ATOM 0 HG2 LYS A 61 17.038 -4.870 -10.962 1.00 0.70 H new ATOM 0 HG3 LYS A 61 16.509 -5.691 -12.417 1.00 0.70 H new ATOM 0 HD2 LYS A 61 16.351 -2.669 -12.029 1.00 1.11 H new ATOM 0 HD3 LYS A 61 17.697 -3.481 -12.804 1.00 1.11 H new ATOM 0 HE2 LYS A 61 16.034 -4.459 -14.475 1.00 1.90 H new ATOM 0 HE3 LYS A 61 14.805 -3.434 -13.761 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 15.786 -2.401 -15.707 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 16.143 -1.485 -14.323 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 17.334 -2.478 -15.015 1.00 2.56 H new ATOM 980 N SER A 62 12.159 -3.572 -9.966 1.00 0.44 N ATOM 981 CA SER A 62 10.861 -2.893 -10.155 1.00 0.46 C ATOM 982 C SER A 62 10.788 -1.599 -9.315 1.00 0.43 C ATOM 983 O SER A 62 10.209 -0.603 -9.760 1.00 0.47 O ATOM 984 CB SER A 62 9.697 -3.829 -9.785 1.00 0.53 C ATOM 985 OG SER A 62 9.795 -5.068 -10.475 1.00 0.61 O ATOM 0 H SER A 62 12.095 -4.464 -9.475 1.00 0.44 H new ATOM 0 HA SER A 62 10.774 -2.627 -11.209 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.698 -4.007 -8.710 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.749 -3.349 -10.028 1.00 0.53 H new ATOM 0 HG SER A 62 10.459 -5.637 -10.033 1.00 0.61 H new ATOM 991 N LEU A 63 11.395 -1.626 -8.104 1.00 0.40 N ATOM 992 CA LEU A 63 11.422 -0.460 -7.192 1.00 0.43 C ATOM 993 C LEU A 63 12.320 0.651 -7.741 1.00 0.45 C ATOM 994 O LEU A 63 11.875 1.792 -7.882 1.00 0.53 O ATOM 995 CB LEU A 63 11.919 -0.871 -5.785 1.00 0.45 C ATOM 996 CG LEU A 63 11.076 -1.943 -5.069 1.00 0.42 C ATOM 997 CD1 LEU A 63 11.852 -2.592 -3.914 1.00 0.48 C ATOM 998 CD2 LEU A 63 9.757 -1.359 -4.575 1.00 0.68 C ATOM 0 H LEU A 63 11.874 -2.448 -7.736 1.00 0.40 H new ATOM 0 HA LEU A 63 10.401 -0.085 -7.117 1.00 0.43 H new ATOM 0 HB2 LEU A 63 12.942 -1.238 -5.873 1.00 0.45 H new ATOM 0 HB3 LEU A 63 11.952 0.019 -5.157 1.00 0.45 H new ATOM 0 HG LEU A 63 10.853 -2.724 -5.796 1.00 0.42 H new ATOM 0 HD11 LEU A 63 11.226 -3.343 -3.432 1.00 0.48 H new ATOM 0 HD12 LEU A 63 12.754 -3.066 -4.302 1.00 0.48 H new ATOM 0 HD13 LEU A 63 12.128 -1.828 -3.187 1.00 0.48 H new ATOM 0 HD21 LEU A 63 9.180 -2.136 -4.073 1.00 0.68 H new ATOM 0 HD22 LEU A 63 9.958 -0.547 -3.876 1.00 0.68 H new ATOM 0 HD23 LEU A 63 9.189 -0.976 -5.422 1.00 0.68 H new ATOM 1010 N ASP A 64 13.585 0.308 -8.058 1.00 0.45 N ATOM 1011 CA ASP A 64 14.551 1.281 -8.581 1.00 0.51 C ATOM 1012 C ASP A 64 14.323 1.506 -10.093 1.00 0.50 C ATOM 1013 O ASP A 64 15.050 0.969 -10.938 1.00 0.54 O ATOM 1014 CB ASP A 64 15.995 0.815 -8.275 1.00 0.60 C ATOM 1015 CG ASP A 64 17.026 1.926 -8.410 1.00 0.83 C ATOM 1016 OD1 ASP A 64 16.931 2.924 -7.661 1.00 1.39 O ATOM 1017 OD2 ASP A 64 17.936 1.789 -9.253 1.00 1.28 O ATOM 0 H ASP A 64 13.956 -0.637 -7.959 1.00 0.45 H new ATOM 0 HA ASP A 64 14.402 2.240 -8.084 1.00 0.51 H new ATOM 0 HB2 ASP A 64 16.033 0.414 -7.262 1.00 0.60 H new ATOM 0 HB3 ASP A 64 16.258 0.001 -8.950 1.00 0.60 H new ATOM 1022 N VAL A 65 13.287 2.306 -10.409 1.00 0.51 N ATOM 1023 CA VAL A 65 12.918 2.627 -11.800 1.00 0.55 C ATOM 1024 C VAL A 65 13.627 3.910 -12.296 1.00 0.55 C ATOM 1025 O VAL A 65 13.993 3.989 -13.470 1.00 0.60 O ATOM 1026 CB VAL A 65 11.359 2.738 -11.968 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.767 3.942 -11.217 1.00 0.67 C ATOM 1028 CG2 VAL A 65 10.958 2.761 -13.449 1.00 0.73 C ATOM 0 H VAL A 65 12.686 2.745 -9.712 1.00 0.51 H new ATOM 0 HA VAL A 65 13.261 1.802 -12.424 1.00 0.55 H new ATOM 0 HB VAL A 65 10.934 1.843 -11.513 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.688 3.970 -11.368 1.00 0.67 H new ATOM 0 HG12 VAL A 65 10.983 3.849 -10.153 1.00 0.67 H new ATOM 0 HG13 VAL A 65 11.210 4.862 -11.598 1.00 0.67 H new ATOM 0 HG21 VAL A 65 9.874 2.838 -13.531 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.421 3.618 -13.938 1.00 0.73 H new ATOM 0 HG23 VAL A 65 11.294 1.843 -13.931 1.00 0.73 H new ATOM 1038 N ASN A 66 13.812 4.906 -11.402 1.00 0.56 N ATOM 1039 CA ASN A 66 14.493 6.171 -11.757 1.00 0.60 C ATOM 1040 C ASN A 66 16.035 6.007 -11.794 1.00 0.59 C ATOM 1041 O ASN A 66 16.724 6.826 -12.410 1.00 0.66 O ATOM 1042 CB ASN A 66 14.102 7.294 -10.769 1.00 0.67 C ATOM 1043 CG ASN A 66 14.395 8.693 -11.313 1.00 0.94 C ATOM 1044 OD1 ASN A 66 13.570 9.279 -12.015 1.00 1.29 O ATOM 1045 ND2 ASN A 66 15.569 9.241 -10.992 1.00 1.44 N ATOM 0 H ASN A 66 13.500 4.859 -10.432 1.00 0.56 H new ATOM 0 HA ASN A 66 14.164 6.445 -12.759 1.00 0.60 H new ATOM 0 HB2 ASN A 66 13.040 7.214 -10.538 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.643 7.153 -9.833 1.00 0.67 H new ATOM 0 HD21 ASN A 66 15.806 10.174 -11.330 1.00 1.44 H new ATOM 0 HD22 ASN A 66 16.229 8.727 -10.408 1.00 1.44 H new ATOM 1052 N GLN A 67 16.567 4.943 -11.134 1.00 0.55 N ATOM 1053 CA GLN A 67 18.021 4.654 -11.076 1.00 0.60 C ATOM 1054 C GLN A 67 18.784 5.735 -10.283 1.00 0.63 C ATOM 1055 O GLN A 67 19.722 6.355 -10.802 1.00 0.78 O ATOM 1056 CB GLN A 67 18.635 4.483 -12.487 1.00 0.70 C ATOM 1057 CG GLN A 67 17.917 3.473 -13.380 1.00 0.88 C ATOM 1058 CD GLN A 67 18.598 3.310 -14.735 1.00 1.20 C ATOM 1059 OE1 GLN A 67 19.355 2.361 -14.946 1.00 1.96 O ATOM 1060 NE2 GLN A 67 18.359 4.251 -15.654 1.00 1.86 N ATOM 0 H GLN A 67 15.998 4.264 -10.629 1.00 0.55 H new ATOM 0 HA GLN A 67 18.128 3.706 -10.549 1.00 0.60 H new ATOM 0 HB2 GLN A 67 18.637 5.452 -12.987 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.676 4.177 -12.380 1.00 0.70 H new ATOM 0 HG2 GLN A 67 17.881 2.507 -12.876 1.00 0.88 H new ATOM 0 HG3 GLN A 67 16.886 3.793 -13.530 1.00 0.88 H new ATOM 0 HE21 GLN A 67 17.726 5.022 -15.442 1.00 1.86 H new ATOM 0 HE22 GLN A 67 18.810 4.198 -16.567 1.00 1.86 H new ATOM 1069 N ASP A 68 18.380 5.951 -9.016 1.00 0.62 N ATOM 1070 CA ASP A 68 19.019 6.958 -8.146 1.00 0.71 C ATOM 1071 C ASP A 68 19.618 6.324 -6.866 1.00 0.77 C ATOM 1072 O ASP A 68 19.895 7.039 -5.896 1.00 1.32 O ATOM 1073 CB ASP A 68 17.992 8.058 -7.781 1.00 0.78 C ATOM 1074 CG ASP A 68 18.640 9.409 -7.518 1.00 1.08 C ATOM 1075 OD1 ASP A 68 18.999 9.682 -6.353 1.00 1.37 O ATOM 1076 OD2 ASP A 68 18.789 10.192 -8.480 1.00 1.41 O ATOM 0 H ASP A 68 17.615 5.442 -8.573 1.00 0.62 H new ATOM 0 HA ASP A 68 19.847 7.403 -8.698 1.00 0.71 H new ATOM 0 HB2 ASP A 68 17.271 8.158 -8.592 1.00 0.78 H new ATOM 0 HB3 ASP A 68 17.435 7.749 -6.896 1.00 0.78 H new ATOM 1081 N SER A 69 19.849 4.983 -6.879 1.00 0.62 N ATOM 1082 CA SER A 69 20.409 4.231 -5.732 1.00 0.67 C ATOM 1083 C SER A 69 19.403 4.128 -4.567 1.00 0.68 C ATOM 1084 O SER A 69 18.933 3.026 -4.264 1.00 1.24 O ATOM 1085 CB SER A 69 21.758 4.814 -5.260 1.00 0.82 C ATOM 1086 OG SER A 69 22.386 3.955 -4.321 1.00 1.31 O ATOM 0 H SER A 69 19.650 4.396 -7.689 1.00 0.62 H new ATOM 0 HA SER A 69 20.602 3.219 -6.087 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.414 4.961 -6.118 1.00 0.82 H new ATOM 0 HB3 SER A 69 21.597 5.794 -4.810 1.00 0.82 H new ATOM 0 HG SER A 69 22.256 4.309 -3.416 1.00 1.31 H new ATOM 1092 N GLU A 70 19.066 5.267 -3.918 1.00 0.66 N ATOM 1093 CA GLU A 70 18.108 5.270 -2.797 1.00 0.77 C ATOM 1094 C GLU A 70 16.671 5.048 -3.295 1.00 0.64 C ATOM 1095 O GLU A 70 16.236 5.679 -4.266 1.00 0.75 O ATOM 1096 CB GLU A 70 18.185 6.587 -1.991 1.00 1.13 C ATOM 1097 CG GLU A 70 19.397 6.696 -1.060 1.00 1.41 C ATOM 1098 CD GLU A 70 20.712 6.907 -1.793 1.00 1.90 C ATOM 1099 OE1 GLU A 70 20.995 8.058 -2.186 1.00 2.42 O ATOM 1100 OE2 GLU A 70 21.458 5.920 -1.969 1.00 2.41 O ATOM 0 H GLU A 70 19.442 6.186 -4.152 1.00 0.66 H new ATOM 0 HA GLU A 70 18.383 4.446 -2.139 1.00 0.77 H new ATOM 0 HB2 GLU A 70 18.203 7.424 -2.689 1.00 1.13 H new ATOM 0 HB3 GLU A 70 17.277 6.687 -1.397 1.00 1.13 H new ATOM 0 HG2 GLU A 70 19.240 7.524 -0.368 1.00 1.41 H new ATOM 0 HG3 GLU A 70 19.467 5.788 -0.461 1.00 1.41 H new ATOM 1107 N LEU A 71 15.946 4.152 -2.612 1.00 0.57 N ATOM 1108 CA LEU A 71 14.560 3.826 -2.959 1.00 0.51 C ATOM 1109 C LEU A 71 13.588 4.771 -2.230 1.00 0.51 C ATOM 1110 O LEU A 71 13.233 4.530 -1.072 1.00 0.53 O ATOM 1111 CB LEU A 71 14.242 2.352 -2.601 1.00 0.53 C ATOM 1112 CG LEU A 71 14.760 1.269 -3.582 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.291 1.187 -3.588 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.152 -0.096 -3.236 1.00 0.74 C ATOM 0 H LEU A 71 16.303 3.636 -1.808 1.00 0.57 H new ATOM 0 HA LEU A 71 14.435 3.957 -4.034 1.00 0.51 H new ATOM 0 HB2 LEU A 71 14.657 2.144 -1.615 1.00 0.53 H new ATOM 0 HB3 LEU A 71 13.160 2.248 -2.520 1.00 0.53 H new ATOM 0 HG LEU A 71 14.445 1.556 -4.585 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.611 0.416 -4.289 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.706 2.148 -3.892 1.00 0.95 H new ATOM 0 HD13 LEU A 71 16.646 0.938 -2.588 1.00 0.95 H new ATOM 0 HD21 LEU A 71 14.524 -0.847 -3.933 1.00 0.74 H new ATOM 0 HD22 LEU A 71 14.433 -0.373 -2.220 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.066 -0.040 -3.309 1.00 0.74 H new ATOM 1126 N LYS A 72 13.171 5.861 -2.910 1.00 0.53 N ATOM 1127 CA LYS A 72 12.215 6.832 -2.330 1.00 0.56 C ATOM 1128 C LYS A 72 10.852 6.145 -2.150 1.00 0.50 C ATOM 1129 O LYS A 72 10.596 5.148 -2.820 1.00 0.48 O ATOM 1130 CB LYS A 72 12.093 8.081 -3.235 1.00 0.63 C ATOM 1131 CG LYS A 72 11.655 9.355 -2.509 1.00 0.86 C ATOM 1132 CD LYS A 72 11.660 10.563 -3.443 1.00 1.00 C ATOM 1133 CE LYS A 72 11.247 11.845 -2.729 1.00 1.43 C ATOM 1134 NZ LYS A 72 11.176 13.007 -3.662 1.00 1.89 N ATOM 0 H LYS A 72 13.478 6.091 -3.855 1.00 0.53 H new ATOM 0 HA LYS A 72 12.577 7.166 -1.358 1.00 0.56 H new ATOM 0 HB2 LYS A 72 13.056 8.263 -3.712 1.00 0.63 H new ATOM 0 HB3 LYS A 72 11.379 7.868 -4.031 1.00 0.63 H new ATOM 0 HG2 LYS A 72 10.655 9.215 -2.099 1.00 0.86 H new ATOM 0 HG3 LYS A 72 12.321 9.542 -1.667 1.00 0.86 H new ATOM 0 HD2 LYS A 72 12.657 10.689 -3.865 1.00 1.00 H new ATOM 0 HD3 LYS A 72 10.982 10.379 -4.276 1.00 1.00 H new ATOM 0 HE2 LYS A 72 10.276 11.700 -2.256 1.00 1.43 H new ATOM 0 HE3 LYS A 72 11.959 12.062 -1.933 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 10.892 13.858 -3.136 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 12.109 13.163 -4.094 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 10.478 12.812 -4.407 1.00 1.89 H new ATOM 1148 N PHE A 73 9.978 6.662 -1.261 1.00 0.53 N ATOM 1149 CA PHE A 73 8.657 6.026 -1.031 1.00 0.50 C ATOM 1150 C PHE A 73 7.814 5.922 -2.324 1.00 0.47 C ATOM 1151 O PHE A 73 6.977 5.019 -2.437 1.00 0.47 O ATOM 1152 CB PHE A 73 7.862 6.721 0.096 1.00 0.56 C ATOM 1153 CG PHE A 73 7.195 5.732 1.040 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.964 5.167 0.727 1.00 0.89 C ATOM 1155 CD2 PHE A 73 7.812 5.351 2.229 1.00 0.87 C ATOM 1156 CE1 PHE A 73 5.367 4.254 1.574 1.00 1.12 C ATOM 1157 CE2 PHE A 73 7.213 4.439 3.080 1.00 1.11 C ATOM 1158 CZ PHE A 73 5.990 3.890 2.751 1.00 1.20 C ATOM 0 H PHE A 73 10.153 7.497 -0.702 1.00 0.53 H new ATOM 0 HA PHE A 73 8.870 5.008 -0.704 1.00 0.50 H new ATOM 0 HB2 PHE A 73 8.533 7.364 0.665 1.00 0.56 H new ATOM 0 HB3 PHE A 73 7.102 7.365 -0.345 1.00 0.56 H new ATOM 0 HD1 PHE A 73 5.468 5.446 -0.191 1.00 0.89 H new ATOM 0 HD2 PHE A 73 8.771 5.773 2.490 1.00 0.87 H new ATOM 0 HE1 PHE A 73 4.411 3.824 1.315 1.00 1.12 H new ATOM 0 HE2 PHE A 73 7.702 4.157 4.001 1.00 1.11 H new ATOM 0 HZ PHE A 73 5.521 3.177 3.413 1.00 1.20 H new ATOM 1168 N ASN A 74 8.028 6.845 -3.291 1.00 0.49 N ATOM 1169 CA ASN A 74 7.324 6.793 -4.589 1.00 0.51 C ATOM 1170 C ASN A 74 7.833 5.588 -5.412 1.00 0.49 C ATOM 1171 O ASN A 74 7.063 4.976 -6.153 1.00 0.53 O ATOM 1172 CB ASN A 74 7.508 8.111 -5.370 1.00 0.57 C ATOM 1173 CG ASN A 74 6.768 8.142 -6.709 1.00 0.65 C ATOM 1174 OD1 ASN A 74 7.392 8.092 -7.769 1.00 0.98 O ATOM 1175 ND2 ASN A 74 5.434 8.210 -6.673 1.00 0.91 N ATOM 0 H ASN A 74 8.677 7.627 -3.196 1.00 0.49 H new ATOM 0 HA ASN A 74 6.257 6.667 -4.404 1.00 0.51 H new ATOM 0 HB2 ASN A 74 7.160 8.940 -4.753 1.00 0.57 H new ATOM 0 HB3 ASN A 74 8.571 8.271 -5.549 1.00 0.57 H new ATOM 0 HD21 ASN A 74 4.900 8.222 -7.542 1.00 0.91 H new ATOM 0 HD22 ASN A 74 4.949 8.250 -5.776 1.00 0.91 H new ATOM 1182 N GLU A 75 9.140 5.269 -5.272 1.00 0.46 N ATOM 1183 CA GLU A 75 9.765 4.115 -5.949 1.00 0.47 C ATOM 1184 C GLU A 75 9.511 2.822 -5.145 1.00 0.43 C ATOM 1185 O GLU A 75 9.312 1.755 -5.731 1.00 0.44 O ATOM 1186 CB GLU A 75 11.284 4.345 -6.129 1.00 0.53 C ATOM 1187 CG GLU A 75 11.662 5.110 -7.401 1.00 0.61 C ATOM 1188 CD GLU A 75 11.366 6.600 -7.329 1.00 0.78 C ATOM 1189 OE1 GLU A 75 10.206 6.987 -7.580 1.00 1.03 O ATOM 1190 OE2 GLU A 75 12.300 7.375 -7.037 1.00 0.98 O ATOM 0 H GLU A 75 9.786 5.802 -4.690 1.00 0.46 H new ATOM 0 HA GLU A 75 9.314 4.009 -6.936 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.661 4.892 -5.265 1.00 0.53 H new ATOM 0 HB3 GLU A 75 11.787 3.378 -6.138 1.00 0.53 H new ATOM 0 HG2 GLU A 75 12.725 4.969 -7.597 1.00 0.61 H new ATOM 0 HG3 GLU A 75 11.122 4.682 -8.246 1.00 0.61 H new ATOM 1197 N TYR A 76 9.512 2.936 -3.795 1.00 0.42 N ATOM 1198 CA TYR A 76 9.268 1.801 -2.878 1.00 0.41 C ATOM 1199 C TYR A 76 7.791 1.318 -2.930 1.00 0.39 C ATOM 1200 O TYR A 76 7.475 0.242 -2.414 1.00 0.52 O ATOM 1201 CB TYR A 76 9.658 2.206 -1.433 1.00 0.44 C ATOM 1202 CG TYR A 76 9.820 1.048 -0.445 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.797 0.070 -0.631 1.00 0.52 C ATOM 1204 CD2 TYR A 76 9.004 0.944 0.680 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.948 -0.969 0.268 1.00 0.59 C ATOM 1206 CE2 TYR A 76 9.155 -0.093 1.582 1.00 0.57 C ATOM 1207 CZ TYR A 76 10.128 -1.047 1.371 1.00 0.59 C ATOM 1208 OH TYR A 76 10.286 -2.082 2.272 1.00 0.69 O ATOM 0 H TYR A 76 9.682 3.819 -3.313 1.00 0.42 H new ATOM 0 HA TYR A 76 9.889 0.966 -3.202 1.00 0.41 H new ATOM 0 HB2 TYR A 76 10.595 2.762 -1.471 1.00 0.44 H new ATOM 0 HB3 TYR A 76 8.898 2.886 -1.047 1.00 0.44 H new ATOM 0 HD1 TYR A 76 11.447 0.126 -1.492 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.239 1.687 0.850 1.00 0.51 H new ATOM 0 HE1 TYR A 76 11.708 -1.719 0.105 1.00 0.59 H new ATOM 0 HE2 TYR A 76 8.513 -0.156 2.448 1.00 0.57 H new ATOM 0 HH TYR A 76 9.630 -1.990 2.994 1.00 0.69 H new ATOM 1218 N TRP A 77 6.896 2.129 -3.552 1.00 0.40 N ATOM 1219 CA TRP A 77 5.459 1.801 -3.705 1.00 0.42 C ATOM 1220 C TRP A 77 5.222 0.424 -4.395 1.00 0.37 C ATOM 1221 O TRP A 77 4.170 -0.181 -4.183 1.00 0.39 O ATOM 1222 CB TRP A 77 4.737 2.994 -4.427 1.00 0.58 C ATOM 1223 CG TRP A 77 3.666 2.652 -5.441 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.380 2.268 -5.183 1.00 0.53 C ATOM 1225 CD2 TRP A 77 3.791 2.698 -6.874 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.706 2.058 -6.362 1.00 0.77 N ATOM 1227 CE2 TRP A 77 2.548 2.317 -7.415 1.00 0.97 C ATOM 1228 CE3 TRP A 77 4.832 3.021 -7.754 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 2.321 2.252 -8.789 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 4.603 2.955 -9.116 1.00 1.45 C ATOM 1231 CH2 TRP A 77 3.356 2.573 -9.622 1.00 1.62 C ATOM 0 H TRP A 77 7.153 3.028 -3.960 1.00 0.40 H new ATOM 0 HA TRP A 77 5.016 1.680 -2.716 1.00 0.42 H new ATOM 0 HB2 TRP A 77 4.286 3.627 -3.662 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.497 3.593 -4.929 1.00 0.58 H new ATOM 0 HD1 TRP A 77 1.956 2.147 -4.197 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.735 1.757 -6.442 1.00 0.77 H new ATOM 0 HE3 TRP A 77 5.799 3.317 -7.374 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 1.359 1.958 -9.182 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 5.400 3.203 -9.801 1.00 1.45 H new ATOM 0 HH2 TRP A 77 3.208 2.531 -10.691 1.00 1.62 H new ATOM 1242 N ARG A 78 6.197 -0.073 -5.199 1.00 0.39 N ATOM 1243 CA ARG A 78 6.065 -1.392 -5.874 1.00 0.42 C ATOM 1244 C ARG A 78 6.163 -2.567 -4.864 1.00 0.40 C ATOM 1245 O ARG A 78 5.603 -3.636 -5.112 1.00 0.45 O ATOM 1246 CB ARG A 78 7.128 -1.567 -6.989 1.00 0.49 C ATOM 1247 CG ARG A 78 7.102 -0.491 -8.084 1.00 0.64 C ATOM 1248 CD ARG A 78 6.130 -0.816 -9.229 1.00 0.82 C ATOM 1249 NE ARG A 78 6.824 -1.232 -10.464 1.00 1.11 N ATOM 1250 CZ ARG A 78 7.492 -0.408 -11.310 1.00 1.57 C ATOM 1251 NH1 ARG A 78 7.600 0.909 -11.071 1.00 1.96 N ATOM 1252 NH2 ARG A 78 8.069 -0.913 -12.407 1.00 1.93 N ATOM 0 H ARG A 78 7.073 0.412 -5.395 1.00 0.39 H new ATOM 0 HA ARG A 78 5.075 -1.412 -6.329 1.00 0.42 H new ATOM 0 HB2 ARG A 78 8.117 -1.573 -6.530 1.00 0.49 H new ATOM 0 HB3 ARG A 78 6.987 -2.542 -7.455 1.00 0.49 H new ATOM 0 HG2 ARG A 78 6.823 0.464 -7.639 1.00 0.64 H new ATOM 0 HG3 ARG A 78 8.106 -0.372 -8.491 1.00 0.64 H new ATOM 0 HD2 ARG A 78 5.454 -1.610 -8.912 1.00 0.82 H new ATOM 0 HD3 ARG A 78 5.517 0.060 -9.439 1.00 0.82 H new ATOM 0 HE ARG A 78 6.799 -2.224 -10.702 1.00 1.11 H new ATOM 0 HH11 ARG A 78 7.174 1.313 -10.237 1.00 1.96 H new ATOM 0 HH12 ARG A 78 8.108 1.506 -11.724 1.00 1.96 H new ATOM 0 HH21 ARG A 78 8.005 -1.912 -12.603 1.00 1.93 H new ATOM 0 HH22 ARG A 78 8.573 -0.299 -13.047 1.00 1.93 H new ATOM 1266 N LEU A 79 6.870 -2.355 -3.724 1.00 0.37 N ATOM 1267 CA LEU A 79 7.038 -3.387 -2.676 1.00 0.37 C ATOM 1268 C LEU A 79 5.961 -3.228 -1.590 1.00 0.36 C ATOM 1269 O LEU A 79 5.544 -4.221 -0.995 1.00 0.39 O ATOM 1270 CB LEU A 79 8.452 -3.325 -2.039 1.00 0.40 C ATOM 1271 CG LEU A 79 8.943 -4.611 -1.325 1.00 0.44 C ATOM 1272 CD1 LEU A 79 9.258 -5.721 -2.329 1.00 0.49 C ATOM 1273 CD2 LEU A 79 10.170 -4.320 -0.452 1.00 0.53 C ATOM 0 H LEU A 79 7.334 -1.472 -3.510 1.00 0.37 H new ATOM 0 HA LEU A 79 6.925 -4.362 -3.150 1.00 0.37 H new ATOM 0 HB2 LEU A 79 9.168 -3.074 -2.821 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.467 -2.507 -1.318 1.00 0.40 H new ATOM 0 HG LEU A 79 8.133 -4.956 -0.682 1.00 0.44 H new ATOM 0 HD11 LEU A 79 9.599 -6.608 -1.795 1.00 0.49 H new ATOM 0 HD12 LEU A 79 8.360 -5.963 -2.898 1.00 0.49 H new ATOM 0 HD13 LEU A 79 10.039 -5.384 -3.010 1.00 0.49 H new ATOM 0 HD21 LEU A 79 10.494 -5.238 0.038 1.00 0.53 H new ATOM 0 HD22 LEU A 79 10.978 -3.937 -1.076 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.911 -3.578 0.303 1.00 0.53 H new ATOM 1285 N ILE A 80 5.529 -1.964 -1.323 1.00 0.38 N ATOM 1286 CA ILE A 80 4.459 -1.677 -0.337 1.00 0.41 C ATOM 1287 C ILE A 80 3.179 -2.453 -0.722 1.00 0.40 C ATOM 1288 O ILE A 80 2.468 -2.954 0.156 1.00 0.43 O ATOM 1289 CB ILE A 80 4.167 -0.132 -0.220 1.00 0.49 C ATOM 1290 CG1 ILE A 80 5.403 0.630 0.330 1.00 0.53 C ATOM 1291 CG2 ILE A 80 2.920 0.167 0.640 1.00 0.59 C ATOM 1292 CD1 ILE A 80 5.770 0.313 1.775 1.00 0.61 C ATOM 0 H ILE A 80 5.907 -1.133 -1.778 1.00 0.38 H new ATOM 0 HA ILE A 80 4.800 -2.009 0.644 1.00 0.41 H new ATOM 0 HB ILE A 80 3.958 0.224 -1.229 1.00 0.49 H new ATOM 0 HG12 ILE A 80 6.261 0.404 -0.304 1.00 0.53 H new ATOM 0 HG13 ILE A 80 5.217 1.701 0.246 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.762 1.244 0.690 1.00 0.59 H new ATOM 0 HG22 ILE A 80 2.047 -0.308 0.192 1.00 0.59 H new ATOM 0 HG23 ILE A 80 3.070 -0.224 1.646 1.00 0.59 H new ATOM 0 HD11 ILE A 80 6.645 0.895 2.064 1.00 0.61 H new ATOM 0 HD12 ILE A 80 4.934 0.567 2.427 1.00 0.61 H new ATOM 0 HD13 ILE A 80 5.994 -0.750 1.869 1.00 0.61 H new ATOM 1304 N GLY A 81 2.898 -2.535 -2.045 1.00 0.40 N ATOM 1305 CA GLY A 81 1.755 -3.303 -2.540 1.00 0.44 C ATOM 1306 C GLY A 81 1.966 -4.801 -2.352 1.00 0.41 C ATOM 1307 O GLY A 81 1.031 -5.516 -1.984 1.00 0.47 O ATOM 0 H GLY A 81 3.448 -2.080 -2.774 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.852 -2.993 -2.015 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.600 -3.086 -3.597 1.00 0.44 H new ATOM 1311 N GLU A 82 3.210 -5.272 -2.608 1.00 0.38 N ATOM 1312 CA GLU A 82 3.583 -6.691 -2.434 1.00 0.38 C ATOM 1313 C GLU A 82 3.514 -7.112 -0.951 1.00 0.36 C ATOM 1314 O GLU A 82 3.181 -8.261 -0.659 1.00 0.42 O ATOM 1315 CB GLU A 82 4.997 -6.965 -2.998 1.00 0.43 C ATOM 1316 CG GLU A 82 5.084 -6.959 -4.528 1.00 0.51 C ATOM 1317 CD GLU A 82 4.431 -8.176 -5.175 1.00 0.62 C ATOM 1318 OE1 GLU A 82 5.000 -9.283 -5.066 1.00 0.83 O ATOM 1319 OE2 GLU A 82 3.356 -8.017 -5.791 1.00 0.86 O ATOM 0 H GLU A 82 3.975 -4.683 -2.938 1.00 0.38 H new ATOM 0 HA GLU A 82 2.862 -7.287 -2.993 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.683 -6.214 -2.605 1.00 0.43 H new ATOM 0 HB3 GLU A 82 5.339 -7.933 -2.631 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.608 -6.055 -4.908 1.00 0.51 H new ATOM 0 HG3 GLU A 82 6.132 -6.917 -4.825 1.00 0.51 H new ATOM 1326 N LEU A 83 3.842 -6.184 -0.017 1.00 0.36 N ATOM 1327 CA LEU A 83 3.770 -6.462 1.437 1.00 0.39 C ATOM 1328 C LEU A 83 2.306 -6.711 1.857 1.00 0.40 C ATOM 1329 O LEU A 83 2.019 -7.640 2.617 1.00 0.49 O ATOM 1330 CB LEU A 83 4.362 -5.290 2.273 1.00 0.44 C ATOM 1331 CG LEU A 83 5.834 -5.443 2.719 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.797 -5.396 1.533 1.00 0.67 C ATOM 1333 CD2 LEU A 83 6.201 -4.371 3.753 1.00 0.61 C ATOM 0 H LEU A 83 4.157 -5.241 -0.245 1.00 0.36 H new ATOM 0 HA LEU A 83 4.365 -7.354 1.634 1.00 0.39 H new ATOM 0 HB2 LEU A 83 4.275 -4.374 1.688 1.00 0.44 H new ATOM 0 HB3 LEU A 83 3.746 -5.159 3.163 1.00 0.44 H new ATOM 0 HG LEU A 83 5.932 -6.425 3.182 1.00 0.49 H new ATOM 0 HD11 LEU A 83 7.821 -5.507 1.891 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.564 -6.207 0.843 1.00 0.67 H new ATOM 0 HD13 LEU A 83 6.694 -4.441 1.019 1.00 0.67 H new ATOM 0 HD21 LEU A 83 7.241 -4.497 4.054 1.00 0.61 H new ATOM 0 HD22 LEU A 83 6.067 -3.382 3.315 1.00 0.61 H new ATOM 0 HD23 LEU A 83 5.556 -4.472 4.626 1.00 0.61 H new ATOM 1345 N ALA A 84 1.389 -5.871 1.336 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.048 -5.979 1.630 1.00 0.45 C ATOM 1347 C ALA A 84 -0.716 -7.147 0.874 1.00 0.45 C ATOM 1348 O ALA A 84 -1.665 -7.738 1.389 1.00 0.55 O ATOM 1349 CB ALA A 84 -0.748 -4.663 1.291 1.00 0.54 C ATOM 0 H ALA A 84 1.625 -5.105 0.705 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.149 -6.186 2.695 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -1.812 -4.750 1.511 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -0.318 -3.858 1.888 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -0.613 -4.441 0.232 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.211 -7.482 -0.336 1.00 0.42 N ATOM 1356 CA LYS A 85 -0.784 -8.565 -1.166 1.00 0.46 C ATOM 1357 C LYS A 85 -0.266 -9.968 -0.774 1.00 0.47 C ATOM 1358 O LYS A 85 -1.033 -10.936 -0.821 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.493 -8.311 -2.661 1.00 0.49 C ATOM 1360 CG LYS A 85 -1.297 -9.200 -3.623 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.722 -9.212 -5.043 1.00 0.64 C ATOM 1362 CE LYS A 85 -0.987 -7.911 -5.815 1.00 0.69 C ATOM 1363 NZ LYS A 85 0.208 -7.017 -5.855 1.00 0.96 N ATOM 0 H LYS A 85 0.593 -7.017 -0.759 1.00 0.42 H new ATOM 0 HA LYS A 85 -1.859 -8.552 -0.984 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.705 -7.266 -2.888 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.570 -8.467 -2.844 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -1.318 -10.219 -3.236 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -2.329 -8.850 -3.657 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.353 -9.383 -4.991 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -1.152 -10.048 -5.595 1.00 0.64 H new ATOM 0 HE2 LYS A 85 -1.291 -8.152 -6.834 1.00 0.69 H new ATOM 0 HE3 LYS A 85 -1.819 -7.380 -5.352 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 0.134 -6.374 -6.669 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 0.255 -6.460 -4.978 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 1.069 -7.593 -5.946 1.00 0.96 H new ATOM 1377 N GLU A 86 1.022 -10.082 -0.387 1.00 0.42 N ATOM 1378 CA GLU A 86 1.630 -11.387 -0.029 1.00 0.46 C ATOM 1379 C GLU A 86 1.452 -11.751 1.469 1.00 0.52 C ATOM 1380 O GLU A 86 2.315 -12.418 2.050 1.00 0.92 O ATOM 1381 CB GLU A 86 3.131 -11.395 -0.420 1.00 0.49 C ATOM 1382 CG GLU A 86 3.403 -11.183 -1.913 1.00 0.55 C ATOM 1383 CD GLU A 86 2.911 -12.331 -2.785 1.00 1.03 C ATOM 1384 OE1 GLU A 86 3.680 -13.294 -2.995 1.00 1.52 O ATOM 1385 OE2 GLU A 86 1.754 -12.265 -3.252 1.00 1.65 O ATOM 0 H GLU A 86 1.661 -9.291 -0.314 1.00 0.42 H new ATOM 0 HA GLU A 86 1.099 -12.153 -0.594 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.644 -10.615 0.143 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.567 -12.347 -0.116 1.00 0.49 H new ATOM 0 HG2 GLU A 86 2.922 -10.259 -2.235 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.475 -11.054 -2.065 1.00 0.55 H new ATOM 1392 N ILE A 87 0.312 -11.356 2.080 1.00 0.44 N ATOM 1393 CA ILE A 87 0.028 -11.648 3.498 1.00 0.47 C ATOM 1394 C ILE A 87 -0.975 -12.820 3.637 1.00 0.51 C ATOM 1395 O ILE A 87 -0.825 -13.649 4.539 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.467 -10.348 4.252 1.00 0.51 C ATOM 1397 CG1 ILE A 87 -0.288 -10.452 5.799 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -1.904 -9.944 3.877 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -1.201 -11.426 6.533 1.00 0.66 C ATOM 0 H ILE A 87 -0.426 -10.833 1.609 1.00 0.44 H new ATOM 0 HA ILE A 87 0.955 -11.965 3.975 1.00 0.47 H new ATOM 0 HB ILE A 87 0.183 -9.545 3.904 1.00 0.51 H new ATOM 0 HG12 ILE A 87 0.745 -10.735 6.003 1.00 0.59 H new ATOM 0 HG13 ILE A 87 -0.437 -9.460 6.225 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -2.185 -9.046 4.427 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -1.959 -9.746 2.807 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.588 -10.754 4.131 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -0.975 -11.403 7.599 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -2.241 -11.139 6.376 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -1.041 -12.434 6.150 1.00 0.66 H new ATOM 1411 N ARG A 88 -1.966 -12.911 2.716 1.00 0.54 N ATOM 1412 CA ARG A 88 -2.993 -13.971 2.770 1.00 0.68 C ATOM 1413 C ARG A 88 -2.916 -14.947 1.578 1.00 0.68 C ATOM 1414 O ARG A 88 -3.137 -16.149 1.767 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.417 -13.362 2.902 1.00 0.83 C ATOM 1416 CG ARG A 88 -5.015 -12.709 1.638 1.00 0.91 C ATOM 1417 CD ARG A 88 -4.595 -11.252 1.466 1.00 1.05 C ATOM 1418 NE ARG A 88 -4.623 -10.809 0.061 1.00 1.18 N ATOM 1419 CZ ARG A 88 -4.335 -9.562 -0.356 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -4.074 -8.585 0.517 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -4.329 -9.288 -1.658 1.00 1.73 N ATOM 0 H ARG A 88 -2.072 -12.266 1.933 1.00 0.54 H new ATOM 0 HA ARG A 88 -2.782 -14.559 3.663 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.094 -14.150 3.230 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.394 -12.612 3.693 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -4.705 -13.277 0.761 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -6.102 -12.765 1.686 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -5.256 -10.617 2.055 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -3.589 -11.120 1.863 1.00 1.05 H new ATOM 0 HE ARG A 88 -4.879 -11.497 -0.647 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -4.091 -8.778 1.518 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -3.858 -7.646 0.182 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -4.542 -10.021 -2.334 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -4.111 -8.345 -1.980 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.611 -14.444 0.357 1.00 0.58 N ATOM 1436 CA LYS A 89 -2.539 -15.305 -0.839 1.00 0.64 C ATOM 1437 C LYS A 89 -1.139 -15.297 -1.493 1.00 0.58 C ATOM 1438 O LYS A 89 -1.008 -15.173 -2.717 1.00 0.69 O ATOM 1439 CB LYS A 89 -3.659 -14.929 -1.843 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.549 -13.545 -2.493 1.00 0.77 C ATOM 1441 CD LYS A 89 -4.580 -13.373 -3.610 1.00 1.00 C ATOM 1442 CE LYS A 89 -4.355 -12.103 -4.422 1.00 1.22 C ATOM 1443 NZ LYS A 89 -5.116 -12.113 -5.703 1.00 1.52 N ATOM 0 H LYS A 89 -2.414 -13.459 0.180 1.00 0.58 H new ATOM 0 HA LYS A 89 -2.706 -16.333 -0.517 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -3.676 -15.679 -2.634 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -4.617 -14.990 -1.326 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -3.696 -12.773 -1.737 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -2.546 -13.409 -2.897 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -4.539 -14.237 -4.274 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -5.580 -13.351 -3.177 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -4.654 -11.238 -3.830 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -3.291 -11.993 -4.634 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -4.933 -11.231 -6.222 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -4.813 -12.923 -6.280 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -6.133 -12.192 -5.502 1.00 1.52 H new ATOM 1457 N LYS A 90 -0.085 -15.461 -0.663 1.00 0.56 N ATOM 1458 CA LYS A 90 1.311 -15.515 -1.158 1.00 0.55 C ATOM 1459 C LYS A 90 1.557 -16.809 -1.972 1.00 0.55 C ATOM 1460 O LYS A 90 2.304 -16.792 -2.955 1.00 0.60 O ATOM 1461 CB LYS A 90 2.334 -15.389 0.003 1.00 0.61 C ATOM 1462 CG LYS A 90 2.181 -16.426 1.136 1.00 0.71 C ATOM 1463 CD LYS A 90 2.233 -15.793 2.534 1.00 0.97 C ATOM 1464 CE LYS A 90 3.665 -15.604 3.042 1.00 1.39 C ATOM 1465 NZ LYS A 90 4.272 -16.881 3.533 1.00 1.87 N ATOM 0 H LYS A 90 -0.172 -15.558 0.349 1.00 0.56 H new ATOM 0 HA LYS A 90 1.459 -14.661 -1.819 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.339 -15.473 -0.410 1.00 0.61 H new ATOM 0 HB3 LYS A 90 2.249 -14.391 0.433 1.00 0.61 H new ATOM 0 HG2 LYS A 90 1.234 -16.952 1.015 1.00 0.71 H new ATOM 0 HG3 LYS A 90 2.972 -17.171 1.050 1.00 0.71 H new ATOM 0 HD2 LYS A 90 1.729 -14.827 2.510 1.00 0.97 H new ATOM 0 HD3 LYS A 90 1.683 -16.422 3.234 1.00 0.97 H new ATOM 0 HE2 LYS A 90 4.281 -15.198 2.240 1.00 1.39 H new ATOM 0 HE3 LYS A 90 3.667 -14.871 3.848 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 4.920 -16.677 4.321 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 3.519 -17.520 3.860 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 4.799 -17.335 2.760 1.00 1.87 H new ATOM 1479 N LYS A 91 0.926 -17.925 -1.536 1.00 0.57 N ATOM 1480 CA LYS A 91 1.023 -19.231 -2.218 1.00 0.64 C ATOM 1481 C LYS A 91 -0.399 -19.782 -2.493 1.00 0.69 C ATOM 1482 O LYS A 91 -0.700 -20.935 -2.169 1.00 0.71 O ATOM 1483 CB LYS A 91 1.827 -20.229 -1.356 1.00 0.72 C ATOM 1484 CG LYS A 91 3.303 -19.878 -1.166 1.00 0.85 C ATOM 1485 CD LYS A 91 4.000 -20.900 -0.262 1.00 0.97 C ATOM 1486 CE LYS A 91 5.460 -20.545 0.020 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.357 -20.877 -1.125 1.00 1.53 N ATOM 0 H LYS A 91 0.337 -17.942 -0.703 1.00 0.57 H new ATOM 0 HA LYS A 91 1.544 -19.099 -3.166 1.00 0.64 H new ATOM 0 HB2 LYS A 91 1.357 -20.299 -0.375 1.00 0.72 H new ATOM 0 HB3 LYS A 91 1.760 -21.216 -1.813 1.00 0.72 H new ATOM 0 HG2 LYS A 91 3.800 -19.846 -2.135 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.390 -18.883 -0.730 1.00 0.85 H new ATOM 0 HD2 LYS A 91 3.460 -20.971 0.682 1.00 0.97 H new ATOM 0 HD3 LYS A 91 3.954 -21.883 -0.730 1.00 0.97 H new ATOM 0 HE2 LYS A 91 5.536 -19.480 0.241 1.00 1.29 H new ATOM 0 HE3 LYS A 91 5.796 -21.080 0.908 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.335 -20.618 -0.886 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 6.307 -21.897 -1.321 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 6.055 -20.347 -1.968 1.00 1.53 H new ATOM 1501 N ASP A 92 -1.264 -18.947 -3.118 1.00 0.78 N ATOM 1502 CA ASP A 92 -2.682 -19.313 -3.429 1.00 0.87 C ATOM 1503 C ASP A 92 -2.851 -20.691 -4.110 1.00 1.03 C ATOM 1504 O ASP A 92 -3.856 -21.371 -3.875 1.00 1.81 O ATOM 1505 CB ASP A 92 -3.367 -18.222 -4.288 1.00 0.89 C ATOM 1506 CG ASP A 92 -2.579 -17.830 -5.537 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -2.790 -18.457 -6.597 1.00 1.18 O ATOM 1508 OD2 ASP A 92 -1.756 -16.894 -5.449 1.00 1.01 O ATOM 0 H ASP A 92 -1.009 -18.007 -3.422 1.00 0.78 H new ATOM 0 HA ASP A 92 -3.170 -19.385 -2.457 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -4.353 -18.577 -4.589 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -3.521 -17.334 -3.674 1.00 0.89 H new ATOM 1513 N LEU A 93 -1.880 -21.097 -4.948 1.00 0.67 N ATOM 1514 CA LEU A 93 -1.942 -22.395 -5.652 1.00 0.70 C ATOM 1515 C LEU A 93 -1.553 -23.567 -4.721 1.00 0.70 C ATOM 1516 O LEU A 93 -2.186 -24.626 -4.766 1.00 0.79 O ATOM 1517 CB LEU A 93 -1.030 -22.373 -6.903 1.00 0.77 C ATOM 1518 CG LEU A 93 -1.336 -23.435 -7.989 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -2.551 -23.029 -8.833 1.00 1.24 C ATOM 1520 CD2 LEU A 93 -0.109 -23.674 -8.876 1.00 1.15 C ATOM 0 H LEU A 93 -1.045 -20.549 -5.155 1.00 0.67 H new ATOM 0 HA LEU A 93 -2.973 -22.552 -5.968 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -1.098 -21.386 -7.360 1.00 0.77 H new ATOM 0 HB3 LEU A 93 0.002 -22.503 -6.577 1.00 0.77 H new ATOM 0 HG LEU A 93 -1.579 -24.370 -7.485 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -2.742 -23.793 -9.587 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -3.424 -22.929 -8.189 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -2.351 -22.077 -9.324 1.00 1.24 H new ATOM 0 HD21 LEU A 93 -0.346 -24.423 -9.631 1.00 1.15 H new ATOM 0 HD22 LEU A 93 0.173 -22.742 -9.366 1.00 1.15 H new ATOM 0 HD23 LEU A 93 0.720 -24.027 -8.263 1.00 1.15 H new ATOM 1532 N LYS A 94 -0.516 -23.366 -3.872 1.00 0.70 N ATOM 1533 CA LYS A 94 -0.036 -24.408 -2.939 1.00 0.77 C ATOM 1534 C LYS A 94 -0.919 -24.471 -1.668 1.00 0.71 C ATOM 1535 O LYS A 94 -1.602 -25.476 -1.450 1.00 0.77 O ATOM 1536 CB LYS A 94 1.449 -24.155 -2.577 1.00 0.92 C ATOM 1537 CG LYS A 94 2.157 -25.313 -1.858 1.00 1.09 C ATOM 1538 CD LYS A 94 2.597 -26.419 -2.821 1.00 1.23 C ATOM 1539 CE LYS A 94 3.403 -27.517 -2.123 1.00 1.57 C ATOM 1540 NZ LYS A 94 2.575 -28.342 -1.188 1.00 1.73 N ATOM 0 H LYS A 94 0.003 -22.490 -3.816 1.00 0.70 H new ATOM 0 HA LYS A 94 -0.111 -25.376 -3.434 1.00 0.77 H new ATOM 0 HB2 LYS A 94 1.996 -23.930 -3.493 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.506 -23.268 -1.946 1.00 0.92 H new ATOM 0 HG2 LYS A 94 3.029 -24.929 -1.328 1.00 1.09 H new ATOM 0 HG3 LYS A 94 1.488 -25.734 -1.108 1.00 1.09 H new ATOM 0 HD2 LYS A 94 1.717 -26.860 -3.289 1.00 1.23 H new ATOM 0 HD3 LYS A 94 3.198 -25.983 -3.619 1.00 1.23 H new ATOM 0 HE2 LYS A 94 3.849 -28.167 -2.875 1.00 1.57 H new ATOM 0 HE3 LYS A 94 4.223 -27.062 -1.568 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 3.172 -29.069 -0.744 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 2.170 -27.730 -0.451 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 1.807 -28.801 -1.718 1.00 1.73 H new ATOM 1554 N ILE A 95 -0.898 -23.396 -0.841 1.00 0.68 N ATOM 1555 CA ILE A 95 -1.701 -23.327 0.397 1.00 0.67 C ATOM 1556 C ILE A 95 -2.646 -22.106 0.365 1.00 0.67 C ATOM 1557 O ILE A 95 -2.212 -20.994 0.048 1.00 0.77 O ATOM 1558 CB ILE A 95 -0.806 -23.309 1.690 1.00 0.75 C ATOM 1559 CG1 ILE A 95 0.176 -22.098 1.716 1.00 0.87 C ATOM 1560 CG2 ILE A 95 -0.043 -24.635 1.812 1.00 0.85 C ATOM 1561 CD1 ILE A 95 0.925 -21.909 3.028 1.00 1.06 C ATOM 0 H ILE A 95 -0.331 -22.566 -1.013 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.303 -24.235 0.441 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.466 -23.192 2.549 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.903 -22.221 0.914 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.385 -21.189 1.501 1.00 0.87 H new ATOM 0 HG21 ILE A 95 0.576 -24.618 2.709 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -0.754 -25.459 1.877 1.00 0.85 H new ATOM 0 HG23 ILE A 95 0.592 -24.771 0.936 1.00 0.85 H new ATOM 0 HD11 ILE A 95 1.583 -21.043 2.950 1.00 1.06 H new ATOM 0 HD12 ILE A 95 0.210 -21.750 3.835 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.519 -22.798 3.239 1.00 1.06 H new ATOM 1573 N ARG A 96 -3.943 -22.326 0.673 1.00 0.71 N ATOM 1574 CA ARG A 96 -4.954 -21.246 0.661 1.00 0.77 C ATOM 1575 C ARG A 96 -5.807 -21.213 1.955 1.00 0.77 C ATOM 1576 O ARG A 96 -7.029 -21.017 1.896 1.00 0.93 O ATOM 1577 CB ARG A 96 -5.845 -21.365 -0.602 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.606 -22.695 -0.749 1.00 1.05 C ATOM 1579 CD ARG A 96 -7.632 -22.657 -1.890 1.00 1.26 C ATOM 1580 NE ARG A 96 -8.746 -21.718 -1.630 1.00 1.40 N ATOM 1581 CZ ARG A 96 -9.746 -21.432 -2.493 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -9.818 -22.004 -3.703 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -10.695 -20.567 -2.130 1.00 2.18 N ATOM 0 H ARG A 96 -4.314 -23.240 0.933 1.00 0.71 H new ATOM 0 HA ARG A 96 -4.420 -20.296 0.627 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -6.569 -20.550 -0.593 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.218 -21.225 -1.483 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -5.894 -23.500 -0.931 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -7.115 -22.925 0.187 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -7.130 -22.371 -2.814 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -8.035 -23.658 -2.043 1.00 1.26 H new ATOM 0 HE ARG A 96 -8.760 -21.248 -0.725 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -9.106 -22.675 -3.993 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -10.585 -21.769 -4.333 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -10.661 -20.129 -1.209 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -11.454 -20.344 -2.773 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.161 -21.390 3.127 1.00 0.72 N ATOM 1598 CA LYS A 97 -5.856 -21.342 4.433 1.00 0.75 C ATOM 1599 C LYS A 97 -4.868 -20.984 5.562 1.00 0.74 C ATOM 1600 O LYS A 97 -4.109 -21.838 6.029 1.00 0.95 O ATOM 1601 CB LYS A 97 -6.611 -22.665 4.746 1.00 0.87 C ATOM 1602 CG LYS A 97 -5.824 -23.952 4.473 1.00 0.94 C ATOM 1603 CD LYS A 97 -6.614 -25.204 4.874 1.00 1.10 C ATOM 1604 CE LYS A 97 -5.919 -26.494 4.434 1.00 1.36 C ATOM 1605 NZ LYS A 97 -4.635 -26.740 5.161 1.00 1.74 N ATOM 0 H LYS A 97 -4.159 -21.568 3.196 1.00 0.72 H new ATOM 0 HA LYS A 97 -6.609 -20.557 4.372 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -6.906 -22.655 5.795 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -7.528 -22.688 4.157 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -5.573 -24.006 3.414 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -4.883 -23.925 5.023 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -6.747 -25.216 5.956 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -7.609 -25.161 4.431 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -6.591 -27.337 4.598 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -5.721 -26.447 3.363 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -4.209 -27.626 4.823 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -3.980 -25.952 4.985 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -4.822 -26.813 6.181 1.00 1.74 H new ATOM 1619 N LYS A 98 -4.876 -19.701 5.987 1.00 0.69 N ATOM 1620 CA LYS A 98 -3.981 -19.217 7.056 1.00 0.72 C ATOM 1621 C LYS A 98 -4.694 -18.174 7.925 1.00 0.76 C ATOM 1622 O LYS A 98 -5.624 -18.501 8.665 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.682 -18.647 6.441 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.506 -18.544 7.421 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.164 -18.413 6.692 1.00 1.35 C ATOM 1626 CE LYS A 98 1.026 -18.353 7.653 1.00 1.61 C ATOM 1627 NZ LYS A 98 1.217 -19.624 8.422 1.00 1.71 N ATOM 0 H LYS A 98 -5.493 -18.984 5.605 1.00 0.69 H new ATOM 0 HA LYS A 98 -3.713 -20.054 7.701 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -2.385 -19.277 5.602 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -2.890 -17.656 6.038 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -1.651 -17.682 8.072 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -1.487 -19.427 8.060 1.00 1.04 H new ATOM 0 HD2 LYS A 98 -0.038 -19.259 6.016 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -0.175 -17.513 6.077 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.933 -18.136 7.088 1.00 1.61 H new ATOM 0 HE3 LYS A 98 0.881 -17.529 8.352 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 2.093 -19.564 8.980 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 0.409 -19.768 9.061 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 1.282 -20.424 7.760 1.00 1.71 H new ATOM 1642 N MET B 1 -5.851 -17.904 2.638 1.00 0.85 N ATOM 1643 CA MET B 1 -6.793 -16.929 2.080 1.00 0.86 C ATOM 1644 C MET B 1 -7.133 -15.795 3.071 1.00 0.76 C ATOM 1645 O MET B 1 -7.427 -14.677 2.643 1.00 0.93 O ATOM 1646 CB MET B 1 -8.077 -17.639 1.604 1.00 1.04 C ATOM 1647 CG MET B 1 -8.842 -18.392 2.699 1.00 1.09 C ATOM 1648 SD MET B 1 -10.274 -19.295 2.070 1.00 1.44 S ATOM 1649 CE MET B 1 -11.006 -19.883 3.596 1.00 1.75 C ATOM 0 H1 MET B 1 -5.618 -18.614 1.915 1.00 0.85 H new ATOM 0 H2 MET B 1 -4.983 -17.416 2.937 1.00 0.85 H new ATOM 0 H3 MET B 1 -6.283 -18.374 3.459 1.00 0.85 H new ATOM 0 HA MET B 1 -6.303 -16.462 1.226 1.00 0.86 H new ATOM 0 HB2 MET B 1 -8.742 -16.898 1.161 1.00 1.04 H new ATOM 0 HB3 MET B 1 -7.814 -18.343 0.815 1.00 1.04 H new ATOM 0 HG2 MET B 1 -8.166 -19.092 3.190 1.00 1.09 H new ATOM 0 HG3 MET B 1 -9.172 -17.682 3.457 1.00 1.09 H new ATOM 0 HE1 MET B 1 -11.903 -20.460 3.371 1.00 1.75 H new ATOM 0 HE2 MET B 1 -10.291 -20.515 4.123 1.00 1.75 H new ATOM 0 HE3 MET B 1 -11.270 -19.032 4.224 1.00 1.75 H new ATOM 1659 N ALA B 2 -7.102 -16.091 4.390 1.00 0.73 N ATOM 1660 CA ALA B 2 -7.409 -15.098 5.434 1.00 0.67 C ATOM 1661 C ALA B 2 -6.121 -14.517 6.044 1.00 0.60 C ATOM 1662 O ALA B 2 -5.110 -15.220 6.153 1.00 0.68 O ATOM 1663 CB ALA B 2 -8.287 -15.730 6.516 1.00 0.78 C ATOM 0 H ALA B 2 -6.866 -17.014 4.754 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.956 -14.274 4.976 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -8.509 -14.989 7.284 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -9.218 -16.081 6.070 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -7.761 -16.572 6.966 1.00 0.78 H new ATOM 1669 N ALA B 3 -6.172 -13.228 6.443 1.00 0.57 N ATOM 1670 CA ALA B 3 -5.009 -12.539 7.044 1.00 0.57 C ATOM 1671 C ALA B 3 -4.823 -12.954 8.513 1.00 0.58 C ATOM 1672 O ALA B 3 -5.810 -13.228 9.206 1.00 0.69 O ATOM 1673 CB ALA B 3 -5.162 -11.021 6.922 1.00 0.64 C ATOM 0 H ALA B 3 -7.004 -12.644 6.360 1.00 0.57 H new ATOM 0 HA ALA B 3 -4.116 -12.838 6.496 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -4.297 -10.531 7.369 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -5.231 -10.746 5.870 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -6.067 -10.704 7.440 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.559 -12.994 8.988 1.00 0.56 N ATOM 1680 CA GLU B 4 -3.246 -13.405 10.371 1.00 0.59 C ATOM 1681 C GLU B 4 -2.263 -12.415 11.046 1.00 0.56 C ATOM 1682 O GLU B 4 -1.306 -11.978 10.398 1.00 0.54 O ATOM 1683 CB GLU B 4 -2.647 -14.828 10.343 1.00 0.66 C ATOM 1684 CG GLU B 4 -2.691 -15.568 11.680 1.00 0.79 C ATOM 1685 CD GLU B 4 -2.093 -16.962 11.596 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -2.778 -17.871 11.079 1.00 1.10 O ATOM 1687 OE2 GLU B 4 -0.941 -17.145 12.043 1.00 1.00 O ATOM 0 H GLU B 4 -2.740 -12.746 8.433 1.00 0.56 H new ATOM 0 HA GLU B 4 -4.164 -13.400 10.959 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -3.183 -15.418 9.599 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -1.610 -14.764 10.013 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -2.151 -14.989 12.429 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -3.725 -15.640 12.017 1.00 0.79 H new ATOM 1694 N PRO B 5 -2.468 -12.042 12.361 1.00 0.62 N ATOM 1695 CA PRO B 5 -1.565 -11.107 13.079 1.00 0.65 C ATOM 1696 C PRO B 5 -0.136 -11.672 13.254 1.00 0.59 C ATOM 1697 O PRO B 5 0.058 -12.672 13.953 1.00 0.68 O ATOM 1698 CB PRO B 5 -2.250 -10.900 14.449 1.00 0.83 C ATOM 1699 CG PRO B 5 -3.650 -11.370 14.259 1.00 0.80 C ATOM 1700 CD PRO B 5 -3.586 -12.469 13.238 1.00 0.73 C ATOM 0 HA PRO B 5 -1.428 -10.179 12.523 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -1.746 -11.468 15.231 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -2.223 -9.852 14.749 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -4.070 -11.734 15.197 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -4.291 -10.557 13.917 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -3.391 -13.437 13.699 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -4.521 -12.562 12.685 1.00 0.73 H new ATOM 1708 N LEU B 6 0.852 -11.026 12.600 1.00 0.61 N ATOM 1709 CA LEU B 6 2.269 -11.448 12.661 1.00 0.70 C ATOM 1710 C LEU B 6 3.121 -10.373 13.396 1.00 0.73 C ATOM 1711 O LEU B 6 2.585 -9.660 14.251 1.00 1.24 O ATOM 1712 CB LEU B 6 2.762 -11.718 11.218 1.00 0.87 C ATOM 1713 CG LEU B 6 2.013 -12.832 10.451 1.00 0.95 C ATOM 1714 CD1 LEU B 6 2.297 -12.743 8.952 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.386 -14.218 10.986 1.00 1.08 C ATOM 0 H LEU B 6 0.693 -10.203 12.019 1.00 0.61 H new ATOM 0 HA LEU B 6 2.374 -12.368 13.236 1.00 0.70 H new ATOM 0 HB2 LEU B 6 2.682 -10.793 10.647 1.00 0.87 H new ATOM 0 HB3 LEU B 6 3.820 -11.978 11.258 1.00 0.87 H new ATOM 0 HG LEU B 6 0.945 -12.685 10.609 1.00 0.95 H new ATOM 0 HD11 LEU B 6 1.760 -13.536 8.432 1.00 1.18 H new ATOM 0 HD12 LEU B 6 1.967 -11.775 8.576 1.00 1.18 H new ATOM 0 HD13 LEU B 6 3.367 -12.855 8.777 1.00 1.18 H new ATOM 0 HD21 LEU B 6 1.844 -14.981 10.428 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.458 -14.376 10.870 1.00 1.08 H new ATOM 0 HD23 LEU B 6 2.121 -14.284 12.041 1.00 1.08 H new ATOM 1727 N THR B 7 4.448 -10.271 13.096 1.00 0.52 N ATOM 1728 CA THR B 7 5.344 -9.274 13.740 1.00 0.50 C ATOM 1729 C THR B 7 4.881 -7.825 13.446 1.00 0.48 C ATOM 1730 O THR B 7 4.123 -7.608 12.506 1.00 0.53 O ATOM 1731 CB THR B 7 6.824 -9.472 13.279 1.00 0.53 C ATOM 1732 OG1 THR B 7 7.117 -10.871 13.158 1.00 0.92 O ATOM 1733 CG2 THR B 7 7.826 -8.849 14.255 1.00 1.06 C ATOM 0 H THR B 7 4.916 -10.867 12.414 1.00 0.52 H new ATOM 0 HA THR B 7 5.290 -9.436 14.817 1.00 0.50 H new ATOM 0 HB THR B 7 6.924 -8.971 12.316 1.00 0.53 H new ATOM 0 HG1 THR B 7 6.948 -11.162 12.238 1.00 0.92 H new ATOM 0 HG21 THR B 7 8.840 -9.014 13.890 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.638 -7.778 14.335 1.00 1.06 H new ATOM 0 HG23 THR B 7 7.714 -9.311 15.236 1.00 1.06 H new ATOM 1741 N GLU B 8 5.347 -6.852 14.263 1.00 0.49 N ATOM 1742 CA GLU B 8 4.979 -5.412 14.148 1.00 0.49 C ATOM 1743 C GLU B 8 4.834 -4.885 12.690 1.00 0.44 C ATOM 1744 O GLU B 8 3.759 -4.395 12.332 1.00 0.47 O ATOM 1745 CB GLU B 8 5.984 -4.544 14.941 1.00 0.54 C ATOM 1746 CG GLU B 8 5.463 -3.153 15.305 1.00 0.95 C ATOM 1747 CD GLU B 8 6.413 -2.387 16.208 1.00 1.01 C ATOM 1748 OE1 GLU B 8 6.464 -2.695 17.418 1.00 1.51 O ATOM 1749 OE2 GLU B 8 7.105 -1.479 15.704 1.00 1.29 O ATOM 0 H GLU B 8 5.994 -7.041 15.028 1.00 0.49 H new ATOM 0 HA GLU B 8 3.981 -5.330 14.578 1.00 0.49 H new ATOM 0 HB2 GLU B 8 6.256 -5.069 15.857 1.00 0.54 H new ATOM 0 HB3 GLU B 8 6.896 -4.436 14.353 1.00 0.54 H new ATOM 0 HG2 GLU B 8 5.297 -2.582 14.392 1.00 0.95 H new ATOM 0 HG3 GLU B 8 4.497 -3.250 15.800 1.00 0.95 H new ATOM 1756 N LEU B 9 5.898 -4.985 11.855 1.00 0.42 N ATOM 1757 CA LEU B 9 5.840 -4.490 10.446 1.00 0.39 C ATOM 1758 C LEU B 9 4.930 -5.360 9.559 1.00 0.38 C ATOM 1759 O LEU B 9 4.350 -4.862 8.588 1.00 0.39 O ATOM 1760 CB LEU B 9 7.246 -4.401 9.809 1.00 0.41 C ATOM 1761 CG LEU B 9 8.269 -3.485 10.523 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.664 -3.671 9.924 1.00 0.63 C ATOM 1763 CD2 LEU B 9 7.849 -2.010 10.451 1.00 0.65 C ATOM 0 H LEU B 9 6.793 -5.395 12.121 1.00 0.42 H new ATOM 0 HA LEU B 9 5.413 -3.488 10.500 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.663 -5.407 9.761 1.00 0.41 H new ATOM 0 HB3 LEU B 9 7.134 -4.053 8.782 1.00 0.41 H new ATOM 0 HG LEU B 9 8.295 -3.774 11.574 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.371 -3.019 10.438 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.975 -4.709 10.042 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.642 -3.418 8.864 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.590 -1.395 10.962 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.780 -1.702 9.408 1.00 0.65 H new ATOM 0 HD23 LEU B 9 6.879 -1.884 10.932 1.00 0.65 H new ATOM 1775 N GLU B 10 4.823 -6.661 9.888 1.00 0.39 N ATOM 1776 CA GLU B 10 3.970 -7.603 9.139 1.00 0.41 C ATOM 1777 C GLU B 10 2.487 -7.451 9.548 1.00 0.42 C ATOM 1778 O GLU B 10 1.590 -7.738 8.751 1.00 0.47 O ATOM 1779 CB GLU B 10 4.438 -9.055 9.365 1.00 0.46 C ATOM 1780 CG GLU B 10 5.905 -9.305 8.996 1.00 0.50 C ATOM 1781 CD GLU B 10 6.354 -10.729 9.274 1.00 0.56 C ATOM 1782 OE1 GLU B 10 6.480 -11.094 10.461 1.00 0.95 O ATOM 1783 OE2 GLU B 10 6.581 -11.477 8.305 1.00 0.95 O ATOM 0 H GLU B 10 5.319 -7.085 10.672 1.00 0.39 H new ATOM 0 HA GLU B 10 4.060 -7.367 8.079 1.00 0.41 H new ATOM 0 HB2 GLU B 10 4.289 -9.314 10.413 1.00 0.46 H new ATOM 0 HB3 GLU B 10 3.808 -9.724 8.779 1.00 0.46 H new ATOM 0 HG2 GLU B 10 6.050 -9.084 7.939 1.00 0.50 H new ATOM 0 HG3 GLU B 10 6.537 -8.615 9.555 1.00 0.50 H new ATOM 1790 N GLU B 11 2.248 -7.001 10.803 1.00 0.42 N ATOM 1791 CA GLU B 11 0.895 -6.784 11.345 1.00 0.45 C ATOM 1792 C GLU B 11 0.340 -5.395 10.942 1.00 0.43 C ATOM 1793 O GLU B 11 -0.881 -5.216 10.896 1.00 0.45 O ATOM 1794 CB GLU B 11 0.902 -6.925 12.886 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.483 -7.106 13.509 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.434 -7.312 15.012 1.00 0.70 C ATOM 1797 OE1 GLU B 11 -0.102 -8.433 15.449 1.00 0.82 O ATOM 1798 OE2 GLU B 11 -0.727 -6.351 15.755 1.00 0.85 O ATOM 0 H GLU B 11 2.992 -6.780 11.465 1.00 0.42 H new ATOM 0 HA GLU B 11 0.242 -7.546 10.919 1.00 0.45 H new ATOM 0 HB2 GLU B 11 1.524 -7.778 13.158 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.369 -6.040 13.318 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -1.092 -6.230 13.287 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -0.975 -7.962 13.046 1.00 0.62 H new ATOM 1805 N SER B 12 1.237 -4.412 10.668 1.00 0.43 N ATOM 1806 CA SER B 12 0.823 -3.046 10.261 1.00 0.44 C ATOM 1807 C SER B 12 0.029 -3.080 8.941 1.00 0.42 C ATOM 1808 O SER B 12 -1.040 -2.473 8.846 1.00 0.47 O ATOM 1809 CB SER B 12 2.047 -2.115 10.128 1.00 0.48 C ATOM 1810 OG SER B 12 2.695 -1.935 11.379 1.00 0.56 O ATOM 0 H SER B 12 2.247 -4.541 10.722 1.00 0.43 H new ATOM 0 HA SER B 12 0.173 -2.650 11.042 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.750 -2.535 9.409 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.731 -1.148 9.737 1.00 0.48 H new ATOM 0 HG SER B 12 3.052 -2.793 11.689 1.00 0.56 H new ATOM 1816 N ILE B 13 0.561 -3.801 7.930 1.00 0.40 N ATOM 1817 CA ILE B 13 -0.116 -3.955 6.620 1.00 0.41 C ATOM 1818 C ILE B 13 -1.286 -4.971 6.705 1.00 0.41 C ATOM 1819 O ILE B 13 -2.189 -4.947 5.863 1.00 0.48 O ATOM 1820 CB ILE B 13 0.877 -4.354 5.463 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.687 -5.654 5.771 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.833 -3.195 5.162 1.00 0.53 C ATOM 1823 CD1 ILE B 13 0.928 -6.952 5.539 1.00 0.45 C ATOM 0 H ILE B 13 1.456 -4.286 7.994 1.00 0.40 H new ATOM 0 HA ILE B 13 -0.522 -2.975 6.371 1.00 0.41 H new ATOM 0 HB ILE B 13 0.266 -4.566 4.586 1.00 0.46 H new ATOM 0 HG12 ILE B 13 2.585 -5.660 5.153 1.00 0.45 H new ATOM 0 HG13 ILE B 13 2.015 -5.623 6.810 1.00 0.45 H new ATOM 0 HG21 ILE B 13 2.514 -3.483 4.361 1.00 0.53 H new ATOM 0 HG22 ILE B 13 1.259 -2.321 4.854 1.00 0.53 H new ATOM 0 HG23 ILE B 13 2.407 -2.955 6.057 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.572 -7.798 5.780 1.00 0.45 H new ATOM 0 HD12 ILE B 13 0.044 -6.976 6.177 1.00 0.45 H new ATOM 0 HD13 ILE B 13 0.623 -7.014 4.494 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.254 -5.862 7.726 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.312 -6.875 7.951 1.00 0.43 C ATOM 1837 C GLU B 14 -3.610 -6.227 8.485 1.00 0.45 C ATOM 1838 O GLU B 14 -4.706 -6.690 8.156 1.00 0.48 O ATOM 1839 CB GLU B 14 -1.798 -7.966 8.926 1.00 0.46 C ATOM 1840 CG GLU B 14 -2.813 -9.066 9.297 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.520 -8.849 10.636 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -3.438 -7.732 11.201 1.00 1.00 O ATOM 1843 OE2 GLU B 14 -4.163 -9.804 11.120 1.00 0.92 O ATOM 0 H GLU B 14 -0.500 -5.898 8.412 1.00 0.40 H new ATOM 0 HA GLU B 14 -2.551 -7.339 6.994 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -0.923 -8.440 8.482 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.466 -7.480 9.843 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -3.564 -9.130 8.510 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -2.297 -10.026 9.324 1.00 0.57 H new ATOM 1850 N THR B 15 -3.478 -5.156 9.306 1.00 0.45 N ATOM 1851 CA THR B 15 -4.643 -4.434 9.879 1.00 0.49 C ATOM 1852 C THR B 15 -5.609 -3.922 8.773 1.00 0.47 C ATOM 1853 O THR B 15 -6.819 -3.828 9.006 1.00 0.50 O ATOM 1854 CB THR B 15 -4.184 -3.248 10.783 1.00 0.54 C ATOM 1855 OG1 THR B 15 -3.210 -3.708 11.735 1.00 0.75 O ATOM 1856 CG2 THR B 15 -5.357 -2.611 11.540 1.00 0.88 C ATOM 0 H THR B 15 -2.576 -4.772 9.587 1.00 0.45 H new ATOM 0 HA THR B 15 -5.187 -5.151 10.494 1.00 0.49 H new ATOM 0 HB THR B 15 -3.751 -2.492 10.128 1.00 0.54 H new ATOM 0 HG1 THR B 15 -2.426 -4.055 11.260 1.00 0.75 H new ATOM 0 HG21 THR B 15 -4.990 -1.790 12.156 1.00 0.88 H new ATOM 0 HG22 THR B 15 -6.087 -2.230 10.826 1.00 0.88 H new ATOM 0 HG23 THR B 15 -5.829 -3.360 12.177 1.00 0.88 H new ATOM 1864 N VAL B 16 -5.062 -3.591 7.579 1.00 0.45 N ATOM 1865 CA VAL B 16 -5.867 -3.121 6.427 1.00 0.47 C ATOM 1866 C VAL B 16 -6.672 -4.293 5.800 1.00 0.47 C ATOM 1867 O VAL B 16 -7.746 -4.069 5.233 1.00 0.52 O ATOM 1868 CB VAL B 16 -4.961 -2.430 5.343 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.755 -2.000 4.099 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -4.226 -1.222 5.937 1.00 0.53 C ATOM 0 H VAL B 16 -4.061 -3.641 7.389 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.574 -2.378 6.798 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.232 -3.176 5.026 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -5.082 -1.529 3.383 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.217 -2.875 3.642 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.530 -1.291 4.389 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.606 -0.760 5.169 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -4.953 -0.496 6.301 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.596 -1.550 6.764 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.145 -5.537 5.916 1.00 0.46 N ATOM 1881 CA VAL B 17 -6.806 -6.748 5.379 1.00 0.50 C ATOM 1882 C VAL B 17 -7.555 -7.519 6.512 1.00 0.57 C ATOM 1883 O VAL B 17 -7.616 -8.756 6.503 1.00 0.97 O ATOM 1884 CB VAL B 17 -5.772 -7.705 4.673 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -6.469 -8.756 3.793 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -4.749 -6.925 3.835 1.00 0.55 C ATOM 0 H VAL B 17 -5.257 -5.726 6.381 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.531 -6.419 4.634 1.00 0.50 H new ATOM 0 HB VAL B 17 -5.242 -8.221 5.474 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -5.719 -9.394 3.326 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -7.131 -9.365 4.409 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -7.052 -8.255 3.020 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -4.055 -7.623 3.366 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -5.268 -6.356 3.064 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -4.196 -6.242 4.480 1.00 0.55 H new ATOM 1896 N THR B 18 -8.137 -6.778 7.481 1.00 0.50 N ATOM 1897 CA THR B 18 -8.888 -7.384 8.601 1.00 0.52 C ATOM 1898 C THR B 18 -10.058 -6.487 9.058 1.00 0.54 C ATOM 1899 O THR B 18 -11.179 -6.976 9.224 1.00 0.67 O ATOM 1900 CB THR B 18 -7.983 -7.696 9.835 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.261 -6.521 10.230 1.00 0.58 O ATOM 1902 CG2 THR B 18 -6.990 -8.831 9.561 1.00 0.62 C ATOM 0 H THR B 18 -8.100 -5.759 7.509 1.00 0.50 H new ATOM 0 HA THR B 18 -9.279 -8.324 8.211 1.00 0.52 H new ATOM 0 HB THR B 18 -8.645 -8.018 10.638 1.00 0.56 H new ATOM 0 HG1 THR B 18 -7.306 -5.853 9.514 1.00 0.58 H new ATOM 0 HG21 THR B 18 -6.385 -9.008 10.450 1.00 0.62 H new ATOM 0 HG22 THR B 18 -7.537 -9.739 9.307 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.341 -8.554 8.730 1.00 0.62 H new ATOM 1910 N THR B 19 -9.791 -5.176 9.261 1.00 0.53 N ATOM 1911 CA THR B 19 -10.820 -4.215 9.711 1.00 0.57 C ATOM 1912 C THR B 19 -11.878 -3.954 8.615 1.00 0.57 C ATOM 1913 O THR B 19 -13.080 -3.998 8.900 1.00 0.66 O ATOM 1914 CB THR B 19 -10.177 -2.865 10.166 1.00 0.60 C ATOM 1915 OG1 THR B 19 -9.017 -3.128 10.968 1.00 0.61 O ATOM 1916 CG2 THR B 19 -11.150 -2.001 10.976 1.00 0.69 C ATOM 0 H THR B 19 -8.870 -4.761 9.120 1.00 0.53 H new ATOM 0 HA THR B 19 -11.321 -4.668 10.567 1.00 0.57 H new ATOM 0 HB THR B 19 -9.908 -2.317 9.263 1.00 0.60 H new ATOM 0 HG1 THR B 19 -8.264 -3.364 10.387 1.00 0.61 H new ATOM 0 HG21 THR B 19 -10.656 -1.074 11.269 1.00 0.69 H new ATOM 0 HG22 THR B 19 -12.024 -1.770 10.368 1.00 0.69 H new ATOM 0 HG23 THR B 19 -11.462 -2.544 11.868 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.426 -3.692 7.368 1.00 0.56 N ATOM 1925 CA PHE B 20 -12.337 -3.415 6.236 1.00 0.60 C ATOM 1926 C PHE B 20 -12.552 -4.635 5.304 1.00 0.60 C ATOM 1927 O PHE B 20 -13.447 -4.589 4.454 1.00 0.94 O ATOM 1928 CB PHE B 20 -11.821 -2.204 5.424 1.00 0.68 C ATOM 1929 CG PHE B 20 -12.842 -1.631 4.454 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -13.986 -0.995 4.924 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -12.668 -1.748 3.078 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -14.926 -0.486 4.048 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -13.610 -1.242 2.202 1.00 0.90 C ATOM 1934 CZ PHE B 20 -14.738 -0.611 2.689 1.00 0.97 C ATOM 0 H PHE B 20 -10.437 -3.667 7.121 1.00 0.56 H new ATOM 0 HA PHE B 20 -13.310 -3.185 6.669 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -11.512 -1.420 6.116 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -10.934 -2.505 4.867 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -14.142 -0.898 5.988 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -11.788 -2.239 2.691 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -15.807 0.009 4.428 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -13.464 -1.340 1.136 1.00 0.90 H new ATOM 0 HZ PHE B 20 -15.473 -0.215 2.004 1.00 0.97 H new ATOM 1944 N PHE B 21 -11.757 -5.722 5.451 1.00 0.71 N ATOM 1945 CA PHE B 21 -11.912 -6.929 4.596 1.00 0.72 C ATOM 1946 C PHE B 21 -13.317 -7.568 4.739 1.00 0.68 C ATOM 1947 O PHE B 21 -13.825 -8.159 3.782 1.00 0.71 O ATOM 1948 CB PHE B 21 -10.814 -7.972 4.901 1.00 1.01 C ATOM 1949 CG PHE B 21 -10.654 -9.034 3.826 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -9.816 -8.820 2.737 1.00 1.93 C ATOM 1951 CD2 PHE B 21 -11.345 -10.239 3.904 1.00 2.26 C ATOM 1952 CE1 PHE B 21 -9.670 -9.781 1.757 1.00 2.67 C ATOM 1953 CE2 PHE B 21 -11.202 -11.201 2.922 1.00 2.92 C ATOM 1954 CZ PHE B 21 -10.363 -10.973 1.850 1.00 3.08 C ATOM 0 H PHE B 21 -11.011 -5.791 6.143 1.00 0.71 H new ATOM 0 HA PHE B 21 -11.803 -6.599 3.563 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -9.863 -7.456 5.031 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -11.044 -8.460 5.848 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -9.273 -7.890 2.657 1.00 1.93 H new ATOM 0 HD2 PHE B 21 -12.001 -10.425 4.742 1.00 2.26 H new ATOM 0 HE1 PHE B 21 -9.014 -9.601 0.918 1.00 2.67 H new ATOM 0 HE2 PHE B 21 -11.747 -12.131 2.993 1.00 2.92 H new ATOM 0 HZ PHE B 21 -10.248 -11.726 1.084 1.00 3.08 H new ATOM 1964 N THR B 22 -13.932 -7.444 5.938 1.00 0.76 N ATOM 1965 CA THR B 22 -15.279 -7.992 6.207 1.00 0.91 C ATOM 1966 C THR B 22 -16.357 -7.292 5.338 1.00 0.84 C ATOM 1967 O THR B 22 -17.294 -7.946 4.873 1.00 1.01 O ATOM 1968 CB THR B 22 -15.645 -7.861 7.719 1.00 1.10 C ATOM 1969 OG1 THR B 22 -14.575 -8.371 8.539 1.00 1.23 O ATOM 1970 CG2 THR B 22 -16.943 -8.596 8.072 1.00 1.37 C ATOM 0 H THR B 22 -13.513 -6.967 6.737 1.00 0.76 H new ATOM 0 HA THR B 22 -15.258 -9.049 5.943 1.00 0.91 H new ATOM 0 HB THR B 22 -15.795 -6.799 7.915 1.00 1.10 H new ATOM 0 HG1 THR B 22 -14.816 -8.281 9.485 1.00 1.23 H new ATOM 0 HG21 THR B 22 -17.153 -8.474 9.135 1.00 1.37 H new ATOM 0 HG22 THR B 22 -17.766 -8.181 7.490 1.00 1.37 H new ATOM 0 HG23 THR B 22 -16.835 -9.656 7.843 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.209 -5.967 5.130 1.00 0.69 N ATOM 1979 CA PHE B 23 -17.150 -5.176 4.306 1.00 0.75 C ATOM 1980 C PHE B 23 -16.786 -5.261 2.808 1.00 0.70 C ATOM 1981 O PHE B 23 -17.673 -5.191 1.952 1.00 0.83 O ATOM 1982 CB PHE B 23 -17.153 -3.699 4.758 1.00 0.84 C ATOM 1983 CG PHE B 23 -17.755 -3.470 6.130 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -17.007 -3.690 7.280 1.00 1.03 C ATOM 1985 CD2 PHE B 23 -19.068 -3.039 6.269 1.00 1.32 C ATOM 1986 CE1 PHE B 23 -17.554 -3.487 8.529 1.00 1.27 C ATOM 1987 CE2 PHE B 23 -19.618 -2.837 7.518 1.00 1.54 C ATOM 1988 CZ PHE B 23 -18.861 -3.061 8.649 1.00 1.48 C ATOM 0 H PHE B 23 -15.443 -5.419 5.523 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.146 -5.596 4.444 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -16.128 -3.328 4.757 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -17.706 -3.108 4.028 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -15.984 -4.024 7.194 1.00 1.03 H new ATOM 0 HD2 PHE B 23 -19.666 -2.860 5.388 1.00 1.32 H new ATOM 0 HE1 PHE B 23 -16.960 -3.661 9.414 1.00 1.27 H new ATOM 0 HE2 PHE B 23 -20.641 -2.504 7.610 1.00 1.54 H new ATOM 0 HZ PHE B 23 -19.291 -2.903 9.627 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.477 -5.411 2.501 1.00 0.61 N ATOM 1999 CA ALA B 24 -14.985 -5.505 1.110 1.00 0.67 C ATOM 2000 C ALA B 24 -15.431 -6.809 0.410 1.00 0.65 C ATOM 2001 O ALA B 24 -15.645 -6.809 -0.807 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.461 -5.376 1.082 1.00 0.77 C ATOM 0 H ALA B 24 -14.740 -5.470 3.204 1.00 0.61 H new ATOM 0 HA ALA B 24 -15.430 -4.680 0.553 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -13.109 -5.447 0.053 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -13.170 -4.412 1.500 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -13.017 -6.177 1.673 1.00 0.77 H new ATOM 2008 N ARG B 25 -15.574 -7.914 1.179 1.00 0.62 N ATOM 2009 CA ARG B 25 -15.997 -9.223 0.623 1.00 0.68 C ATOM 2010 C ARG B 25 -17.523 -9.303 0.353 1.00 0.70 C ATOM 2011 O ARG B 25 -17.974 -10.246 -0.306 1.00 0.87 O ATOM 2012 CB ARG B 25 -15.558 -10.388 1.546 1.00 0.77 C ATOM 2013 CG ARG B 25 -16.214 -10.402 2.933 1.00 0.80 C ATOM 2014 CD ARG B 25 -15.692 -11.541 3.809 1.00 1.01 C ATOM 2015 NE ARG B 25 -16.422 -11.645 5.087 1.00 1.10 N ATOM 2016 CZ ARG B 25 -16.000 -12.331 6.169 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -14.871 -13.053 6.148 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -16.728 -12.299 7.287 1.00 1.48 N ATOM 0 H ARG B 25 -15.403 -7.926 2.185 1.00 0.62 H new ATOM 0 HA ARG B 25 -15.495 -9.318 -0.340 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -15.781 -11.331 1.046 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -14.476 -10.343 1.673 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -16.029 -9.450 3.430 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -17.294 -10.498 2.821 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -15.778 -12.482 3.266 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -14.632 -11.385 4.010 1.00 1.01 H new ATOM 0 HE ARG B 25 -17.316 -11.160 5.158 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -14.307 -13.093 5.299 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -14.576 -13.562 6.981 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -17.593 -11.760 7.317 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -16.419 -12.814 8.112 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.312 -8.320 0.857 1.00 0.71 N ATOM 2033 CA GLN B 26 -19.781 -8.298 0.656 1.00 0.79 C ATOM 2034 C GLN B 26 -20.154 -8.284 -0.847 1.00 0.73 C ATOM 2035 O GLN B 26 -21.179 -8.851 -1.237 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.418 -7.085 1.381 1.00 0.90 C ATOM 2037 CG GLN B 26 -21.917 -7.233 1.653 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.499 -6.069 2.448 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -22.962 -5.084 1.872 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -22.482 -6.170 3.778 1.00 1.68 N ATOM 0 H GLN B 26 -17.956 -7.536 1.403 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.181 -9.215 1.089 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -19.902 -6.930 2.328 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.256 -6.190 0.780 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.446 -7.317 0.704 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -22.091 -8.161 2.198 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -22.090 -7.001 4.221 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -22.861 -5.416 4.352 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.314 -7.629 -1.677 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.523 -7.555 -3.137 1.00 0.71 C ATOM 2051 C GLU B 27 -18.673 -8.638 -3.852 1.00 0.88 C ATOM 2052 O GLU B 27 -18.107 -9.514 -3.186 1.00 1.45 O ATOM 2053 CB GLU B 27 -19.166 -6.133 -3.639 1.00 0.83 C ATOM 2054 CG GLU B 27 -20.032 -5.013 -3.055 1.00 0.93 C ATOM 2055 CD GLU B 27 -21.461 -5.016 -3.588 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -21.659 -4.636 -4.761 1.00 1.23 O ATOM 2057 OE2 GLU B 27 -22.376 -5.405 -2.831 1.00 1.16 O ATOM 0 H GLU B 27 -18.478 -7.140 -1.356 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.570 -7.748 -3.369 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -18.122 -5.929 -3.400 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -19.254 -6.113 -4.725 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -20.056 -5.110 -1.970 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -19.570 -4.051 -3.279 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.593 -8.586 -5.205 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.818 -9.564 -5.979 1.00 0.86 C ATOM 2066 C GLY B 28 -16.336 -9.635 -5.593 1.00 0.69 C ATOM 2067 O GLY B 28 -15.735 -8.613 -5.260 1.00 0.66 O ATOM 0 H GLY B 28 -19.057 -7.877 -5.773 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -18.264 -10.550 -5.849 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -17.895 -9.317 -7.038 1.00 0.86 H new ATOM 2071 N ARG B 29 -15.759 -10.862 -5.646 1.00 0.68 N ATOM 2072 CA ARG B 29 -14.343 -11.135 -5.294 1.00 0.65 C ATOM 2073 C ARG B 29 -14.060 -10.889 -3.797 1.00 0.62 C ATOM 2074 O ARG B 29 -14.575 -9.937 -3.203 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.340 -10.334 -6.174 1.00 0.66 C ATOM 2076 CG ARG B 29 -13.014 -10.984 -7.524 1.00 0.84 C ATOM 2077 CD ARG B 29 -14.093 -10.732 -8.581 1.00 1.28 C ATOM 2078 NE ARG B 29 -13.880 -11.543 -9.797 1.00 1.44 N ATOM 2079 CZ ARG B 29 -14.449 -11.309 -11.000 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -15.265 -10.263 -11.197 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -14.197 -12.137 -12.018 1.00 2.09 N ATOM 0 H ARG B 29 -16.268 -11.697 -5.937 1.00 0.68 H new ATOM 0 HA ARG B 29 -14.187 -12.194 -5.501 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.749 -9.340 -6.354 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.413 -10.202 -5.616 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -12.061 -10.600 -7.886 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -12.892 -12.058 -7.385 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -15.072 -10.961 -8.160 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -14.099 -9.675 -8.847 1.00 1.28 H new ATOM 0 HE ARG B 29 -13.253 -12.344 -9.723 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -15.468 -9.623 -10.429 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -15.682 -10.108 -12.115 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -13.580 -12.938 -11.883 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -14.622 -11.968 -12.930 1.00 2.09 H new ATOM 2095 N LYS B 30 -13.225 -11.763 -3.201 1.00 0.64 N ATOM 2096 CA LYS B 30 -12.860 -11.673 -1.773 1.00 0.65 C ATOM 2097 C LYS B 30 -11.851 -10.537 -1.519 1.00 0.63 C ATOM 2098 O LYS B 30 -12.093 -9.673 -0.670 1.00 0.67 O ATOM 2099 CB LYS B 30 -12.282 -13.022 -1.284 1.00 0.73 C ATOM 2100 CG LYS B 30 -13.308 -14.161 -1.215 1.00 0.79 C ATOM 2101 CD LYS B 30 -14.157 -14.105 0.060 1.00 0.87 C ATOM 2102 CE LYS B 30 -15.216 -15.210 0.104 1.00 1.01 C ATOM 2103 NZ LYS B 30 -16.292 -15.018 -0.916 1.00 1.11 N ATOM 0 H LYS B 30 -12.788 -12.544 -3.690 1.00 0.64 H new ATOM 0 HA LYS B 30 -13.765 -11.446 -1.210 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -11.471 -13.319 -1.949 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -11.847 -12.880 -0.295 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -13.961 -14.111 -2.086 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -12.788 -15.118 -1.261 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -13.507 -14.193 0.930 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -14.647 -13.133 0.125 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -14.735 -16.175 -0.058 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -15.664 -15.239 1.097 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -17.009 -15.764 -0.809 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -16.738 -14.088 -0.780 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -15.879 -15.068 -1.869 1.00 1.11 H new ATOM 2117 N ASP B 31 -10.729 -10.543 -2.268 1.00 0.65 N ATOM 2118 CA ASP B 31 -9.676 -9.518 -2.133 1.00 0.69 C ATOM 2119 C ASP B 31 -9.914 -8.365 -3.133 1.00 0.64 C ATOM 2120 O ASP B 31 -9.049 -8.056 -3.963 1.00 0.88 O ATOM 2121 CB ASP B 31 -8.287 -10.151 -2.359 1.00 0.83 C ATOM 2122 CG ASP B 31 -7.991 -11.284 -1.390 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -8.408 -12.430 -1.666 1.00 1.24 O ATOM 2124 OD2 ASP B 31 -7.347 -11.024 -0.357 1.00 1.36 O ATOM 0 H ASP B 31 -10.529 -11.250 -2.975 1.00 0.65 H new ATOM 0 HA ASP B 31 -9.713 -9.109 -1.123 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -8.226 -10.527 -3.380 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -7.521 -9.382 -2.256 1.00 0.83 H new ATOM 2129 N SER B 32 -11.102 -7.727 -3.043 1.00 0.65 N ATOM 2130 CA SER B 32 -11.468 -6.625 -3.945 1.00 0.59 C ATOM 2131 C SER B 32 -12.430 -5.633 -3.268 1.00 0.57 C ATOM 2132 O SER B 32 -13.531 -6.011 -2.848 1.00 0.64 O ATOM 2133 CB SER B 32 -12.103 -7.186 -5.230 1.00 0.59 C ATOM 2134 OG SER B 32 -12.364 -6.164 -6.178 1.00 1.13 O ATOM 0 H SER B 32 -11.818 -7.959 -2.355 1.00 0.65 H new ATOM 0 HA SER B 32 -10.557 -6.083 -4.198 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.437 -7.929 -5.670 1.00 0.59 H new ATOM 0 HB3 SER B 32 -13.033 -7.698 -4.982 1.00 0.59 H new ATOM 0 HG SER B 32 -12.765 -6.557 -6.981 1.00 1.13 H new ATOM 2140 N LEU B 33 -11.998 -4.364 -3.174 1.00 0.55 N ATOM 2141 CA LEU B 33 -12.800 -3.285 -2.574 1.00 0.56 C ATOM 2142 C LEU B 33 -13.673 -2.635 -3.660 1.00 0.55 C ATOM 2143 O LEU B 33 -13.159 -2.267 -4.718 1.00 0.72 O ATOM 2144 CB LEU B 33 -11.881 -2.225 -1.917 1.00 0.59 C ATOM 2145 CG LEU B 33 -11.200 -2.634 -0.583 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -10.156 -3.739 -0.788 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -10.561 -1.413 0.089 1.00 0.75 C ATOM 0 H LEU B 33 -11.085 -4.058 -3.511 1.00 0.55 H new ATOM 0 HA LEU B 33 -13.441 -3.705 -1.799 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -11.102 -1.959 -2.631 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -12.470 -1.326 -1.738 1.00 0.59 H new ATOM 0 HG LEU B 33 -11.976 -3.034 0.070 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -9.704 -3.995 0.170 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -10.638 -4.621 -1.209 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -9.383 -3.387 -1.471 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -10.088 -1.717 1.023 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -9.810 -0.984 -0.575 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -11.329 -0.669 0.297 1.00 0.75 H new ATOM 2159 N SER B 34 -14.990 -2.495 -3.399 1.00 0.52 N ATOM 2160 CA SER B 34 -15.929 -1.901 -4.380 1.00 0.53 C ATOM 2161 C SER B 34 -15.641 -0.406 -4.618 1.00 0.50 C ATOM 2162 O SER B 34 -15.109 0.275 -3.737 1.00 0.52 O ATOM 2163 CB SER B 34 -17.382 -2.097 -3.914 1.00 0.62 C ATOM 2164 OG SER B 34 -18.310 -1.659 -4.898 1.00 0.69 O ATOM 0 H SER B 34 -15.427 -2.783 -2.523 1.00 0.52 H new ATOM 0 HA SER B 34 -15.784 -2.418 -5.328 1.00 0.53 H new ATOM 0 HB2 SER B 34 -17.555 -3.150 -3.693 1.00 0.62 H new ATOM 0 HB3 SER B 34 -17.545 -1.546 -2.988 1.00 0.62 H new ATOM 0 HG SER B 34 -19.223 -1.799 -4.572 1.00 0.69 H new ATOM 2170 N VAL B 35 -16.006 0.096 -5.823 1.00 0.52 N ATOM 2171 CA VAL B 35 -15.790 1.516 -6.200 1.00 0.53 C ATOM 2172 C VAL B 35 -16.589 2.497 -5.301 1.00 0.48 C ATOM 2173 O VAL B 35 -16.157 3.635 -5.096 1.00 0.52 O ATOM 2174 CB VAL B 35 -16.110 1.769 -7.720 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -17.602 1.601 -8.040 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -15.599 3.144 -8.182 1.00 0.71 C ATOM 0 H VAL B 35 -16.452 -0.462 -6.552 1.00 0.52 H new ATOM 0 HA VAL B 35 -14.731 1.716 -6.037 1.00 0.53 H new ATOM 0 HB VAL B 35 -15.574 1.003 -8.281 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -17.770 1.786 -9.101 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -17.915 0.586 -7.795 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -18.183 2.311 -7.451 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -15.837 3.285 -9.236 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -16.078 3.927 -7.594 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -14.519 3.196 -8.044 1.00 0.71 H new ATOM 2186 N ASN B 36 -17.741 2.047 -4.766 1.00 0.47 N ATOM 2187 CA ASN B 36 -18.587 2.885 -3.897 1.00 0.48 C ATOM 2188 C ASN B 36 -18.236 2.697 -2.404 1.00 0.46 C ATOM 2189 O ASN B 36 -18.317 3.656 -1.628 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.075 2.565 -4.146 1.00 0.55 C ATOM 2191 CG ASN B 36 -21.014 3.677 -3.681 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -21.409 4.535 -4.472 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -21.370 3.677 -2.394 1.00 0.79 N ATOM 0 H ASN B 36 -18.106 1.107 -4.921 1.00 0.47 H new ATOM 0 HA ASN B 36 -18.397 3.929 -4.147 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -20.229 2.389 -5.211 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -20.333 1.640 -3.630 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -21.989 4.404 -2.036 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -21.023 2.950 -1.769 1.00 0.79 H new ATOM 2200 N GLU B 37 -17.850 1.463 -2.005 1.00 0.46 N ATOM 2201 CA GLU B 37 -17.496 1.160 -0.597 1.00 0.50 C ATOM 2202 C GLU B 37 -16.188 1.846 -0.153 1.00 0.45 C ATOM 2203 O GLU B 37 -16.057 2.210 1.022 1.00 0.46 O ATOM 2204 CB GLU B 37 -17.399 -0.362 -0.365 1.00 0.62 C ATOM 2205 CG GLU B 37 -18.731 -1.099 -0.506 1.00 0.69 C ATOM 2206 CD GLU B 37 -18.623 -2.577 -0.171 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -18.114 -3.341 -1.017 1.00 1.28 O ATOM 2208 OE2 GLU B 37 -19.048 -2.966 0.937 1.00 1.61 O ATOM 0 H GLU B 37 -17.776 0.664 -2.634 1.00 0.46 H new ATOM 0 HA GLU B 37 -18.302 1.565 0.016 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -16.686 -0.782 -1.074 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -17.000 -0.542 0.633 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -19.469 -0.635 0.149 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -19.096 -0.988 -1.527 1.00 0.69 H new ATOM 2215 N PHE B 38 -15.215 2.013 -1.079 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.936 2.682 -0.750 1.00 0.43 C ATOM 2217 C PHE B 38 -14.126 4.214 -0.628 1.00 0.39 C ATOM 2218 O PHE B 38 -13.426 4.861 0.153 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.810 2.305 -1.764 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.541 3.306 -2.882 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -11.610 4.333 -2.711 1.00 0.55 C ATOM 2222 CD2 PHE B 38 -13.212 3.220 -4.094 1.00 0.52 C ATOM 2223 CE1 PHE B 38 -11.363 5.242 -3.721 1.00 0.65 C ATOM 2224 CE2 PHE B 38 -12.966 4.130 -5.107 1.00 0.61 C ATOM 2225 CZ PHE B 38 -12.041 5.140 -4.920 1.00 0.66 C ATOM 0 H PHE B 38 -15.289 1.698 -2.046 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.610 2.318 0.224 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.884 2.158 -1.207 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -13.065 1.347 -2.217 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -11.076 4.417 -1.776 1.00 0.55 H new ATOM 0 HD2 PHE B 38 -13.935 2.433 -4.248 1.00 0.52 H new ATOM 0 HE1 PHE B 38 -10.641 6.031 -3.574 1.00 0.65 H new ATOM 0 HE2 PHE B 38 -13.497 4.051 -6.044 1.00 0.61 H new ATOM 0 HZ PHE B 38 -11.848 5.849 -5.711 1.00 0.66 H new ATOM 2235 N LYS B 39 -15.074 4.788 -1.408 1.00 0.37 N ATOM 2236 CA LYS B 39 -15.361 6.240 -1.368 1.00 0.38 C ATOM 2237 C LYS B 39 -15.917 6.650 0.014 1.00 0.36 C ATOM 2238 O LYS B 39 -15.570 7.714 0.538 1.00 0.39 O ATOM 2239 CB LYS B 39 -16.348 6.638 -2.486 1.00 0.43 C ATOM 2240 CG LYS B 39 -16.398 8.142 -2.758 1.00 0.50 C ATOM 2241 CD LYS B 39 -17.311 8.492 -3.931 1.00 0.60 C ATOM 2242 CE LYS B 39 -17.330 9.995 -4.208 1.00 0.70 C ATOM 2243 NZ LYS B 39 -16.065 10.476 -4.846 1.00 0.81 N ATOM 0 H LYS B 39 -15.650 4.268 -2.070 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.424 6.772 -1.534 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -16.070 6.121 -3.404 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -17.346 6.294 -2.216 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -16.746 8.659 -1.864 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -15.391 8.505 -2.964 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -16.976 7.962 -4.823 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -18.324 8.149 -3.718 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -18.173 10.231 -4.857 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -17.488 10.532 -3.273 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -16.128 11.501 -5.013 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -15.261 10.277 -4.217 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -15.925 9.985 -5.752 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.781 5.789 0.589 1.00 0.35 N ATOM 2258 CA GLU B 40 -17.370 6.013 1.925 1.00 0.38 C ATOM 2259 C GLU B 40 -16.302 5.837 3.026 1.00 0.38 C ATOM 2260 O GLU B 40 -16.375 6.484 4.072 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.549 5.045 2.164 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.729 5.265 1.219 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.876 4.299 1.469 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -20.827 3.167 0.936 1.00 0.63 O ATOM 2265 OE2 GLU B 40 -21.826 4.675 2.188 1.00 0.69 O ATOM 0 H GLU B 40 -17.089 4.924 0.144 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.745 7.036 1.967 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -18.194 4.020 2.054 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.894 5.154 3.192 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -20.091 6.287 1.330 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.388 5.157 0.189 1.00 0.47 H new ATOM 2272 N LEU B 41 -15.311 4.949 2.768 1.00 0.37 N ATOM 2273 CA LEU B 41 -14.198 4.686 3.706 1.00 0.40 C ATOM 2274 C LEU B 41 -13.276 5.920 3.848 1.00 0.38 C ATOM 2275 O LEU B 41 -12.755 6.181 4.936 1.00 0.40 O ATOM 2276 CB LEU B 41 -13.392 3.452 3.226 1.00 0.44 C ATOM 2277 CG LEU B 41 -12.305 2.910 4.187 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -12.925 2.350 5.471 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -11.451 1.848 3.484 1.00 0.64 C ATOM 0 H LEU B 41 -15.263 4.400 1.910 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.618 4.479 4.690 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -14.096 2.646 3.020 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.913 3.706 2.280 1.00 0.44 H new ATOM 0 HG LEU B 41 -11.660 3.742 4.470 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -12.136 1.978 6.124 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -13.477 3.139 5.982 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -13.604 1.535 5.222 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -10.692 1.477 4.173 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -12.087 1.022 3.166 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.966 2.289 2.613 1.00 0.64 H new ATOM 2291 N VAL B 42 -13.077 6.672 2.739 1.00 0.37 N ATOM 2292 CA VAL B 42 -12.228 7.885 2.741 1.00 0.38 C ATOM 2293 C VAL B 42 -12.949 9.074 3.418 1.00 0.39 C ATOM 2294 O VAL B 42 -12.295 9.890 4.069 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.777 8.284 1.289 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -10.928 9.567 1.275 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -11.004 7.139 0.628 1.00 0.47 C ATOM 0 H VAL B 42 -13.493 6.459 1.833 1.00 0.37 H new ATOM 0 HA VAL B 42 -11.336 7.644 3.319 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.685 8.482 0.719 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.641 9.802 0.250 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.509 10.392 1.687 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -10.032 9.417 1.878 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.701 7.436 -0.376 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -10.119 6.908 1.220 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.641 6.257 0.569 1.00 0.47 H new ATOM 2307 N THR B 43 -14.289 9.162 3.269 1.00 0.38 N ATOM 2308 CA THR B 43 -15.079 10.262 3.864 1.00 0.42 C ATOM 2309 C THR B 43 -15.756 9.839 5.194 1.00 0.48 C ATOM 2310 O THR B 43 -16.895 10.240 5.468 1.00 0.83 O ATOM 2311 CB THR B 43 -16.169 10.771 2.861 1.00 0.44 C ATOM 2312 OG1 THR B 43 -15.662 10.756 1.513 1.00 0.46 O ATOM 2313 CG2 THR B 43 -16.657 12.191 3.206 1.00 0.49 C ATOM 0 H THR B 43 -14.844 8.487 2.744 1.00 0.38 H new ATOM 0 HA THR B 43 -14.380 11.070 4.080 1.00 0.42 H new ATOM 0 HB THR B 43 -17.017 10.091 2.944 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.637 9.833 1.183 1.00 0.46 H new ATOM 0 HG21 THR B 43 -17.412 12.502 2.484 1.00 0.49 H new ATOM 0 HG22 THR B 43 -17.089 12.194 4.207 1.00 0.49 H new ATOM 0 HG23 THR B 43 -15.816 12.883 3.172 1.00 0.49 H new ATOM 2321 N GLN B 44 -15.047 9.057 6.040 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.619 8.594 7.323 1.00 0.44 C ATOM 2323 C GLN B 44 -14.534 8.074 8.287 1.00 0.44 C ATOM 2324 O GLN B 44 -14.440 8.554 9.419 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.689 7.499 7.070 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.603 7.217 8.264 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.894 6.507 7.866 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.894 7.155 7.561 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -18.887 5.170 7.868 1.00 0.98 N ATOM 0 H GLN B 44 -14.095 8.738 5.861 1.00 0.42 H new ATOM 0 HA GLN B 44 -16.091 9.453 7.800 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -17.303 7.799 6.221 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -16.185 6.575 6.788 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -17.067 6.606 8.990 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -17.848 8.157 8.758 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -18.039 4.665 8.126 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -19.729 4.655 7.611 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.724 7.099 7.826 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.658 6.494 8.649 1.00 0.43 C ATOM 2340 C GLN B 45 -11.242 6.965 8.239 1.00 0.41 C ATOM 2341 O GLN B 45 -10.290 6.769 9.004 1.00 0.46 O ATOM 2342 CB GLN B 45 -12.756 4.953 8.577 1.00 0.47 C ATOM 2343 CG GLN B 45 -12.175 4.232 9.797 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.611 2.771 9.913 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.789 2.076 8.909 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.799 2.294 11.147 1.00 0.73 N ATOM 0 H GLN B 45 -13.789 6.713 6.884 1.00 0.42 H new ATOM 0 HA GLN B 45 -12.811 6.828 9.675 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -13.803 4.671 8.466 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -12.237 4.608 7.683 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -11.087 4.274 9.749 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -12.475 4.764 10.700 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -12.643 2.896 11.956 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -13.099 1.328 11.280 1.00 0.73 H new ATOM 2355 N LEU B 46 -11.099 7.577 7.039 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.792 8.065 6.551 1.00 0.38 C ATOM 2357 C LEU B 46 -9.891 9.493 5.930 1.00 0.38 C ATOM 2358 O LEU B 46 -9.290 9.742 4.876 1.00 0.41 O ATOM 2359 CB LEU B 46 -9.244 7.055 5.509 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.710 7.063 5.303 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -7.015 6.182 6.346 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.345 6.618 3.883 1.00 0.62 C ATOM 0 H LEU B 46 -11.872 7.743 6.395 1.00 0.39 H new ATOM 0 HA LEU B 46 -9.111 8.141 7.399 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.546 6.052 5.810 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.721 7.257 4.550 1.00 0.40 H new ATOM 0 HG LEU B 46 -7.358 8.086 5.436 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -5.938 6.204 6.181 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -7.237 6.557 7.345 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.376 5.157 6.255 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.262 6.632 3.764 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.715 5.607 3.712 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.798 7.297 3.161 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.623 10.474 6.564 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.758 11.838 6.002 1.00 0.42 C ATOM 2376 C PRO B 47 -9.564 12.778 6.284 1.00 0.42 C ATOM 2377 O PRO B 47 -9.259 13.644 5.456 1.00 0.46 O ATOM 2378 CB PRO B 47 -12.035 12.346 6.681 1.00 0.48 C ATOM 2379 CG PRO B 47 -12.028 11.703 8.027 1.00 0.48 C ATOM 2380 CD PRO B 47 -11.385 10.349 7.843 1.00 0.44 C ATOM 0 HA PRO B 47 -10.791 11.818 4.913 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -12.036 13.433 6.761 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -12.923 12.068 6.114 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -11.469 12.305 8.743 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -13.041 11.603 8.416 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.726 10.105 8.676 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -12.133 9.558 7.785 1.00 0.44 H new ATOM 2388 N HIS B 48 -8.899 12.606 7.445 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.754 13.460 7.837 1.00 0.44 C ATOM 2390 C HIS B 48 -6.467 13.133 7.049 1.00 0.43 C ATOM 2391 O HIS B 48 -5.670 14.038 6.786 1.00 0.49 O ATOM 2392 CB HIS B 48 -7.492 13.355 9.356 1.00 0.49 C ATOM 2393 CG HIS B 48 -8.651 13.820 10.204 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -9.615 12.964 10.701 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -9.005 15.060 10.627 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -10.506 13.654 11.391 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -10.160 14.927 11.361 1.00 0.81 N ATOM 0 H HIS B 48 -9.133 11.885 8.128 1.00 0.42 H new ATOM 0 HA HIS B 48 -8.029 14.485 7.588 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -7.263 12.319 9.606 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -6.610 13.945 9.606 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -8.477 15.980 10.425 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -11.370 13.246 11.894 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -10.668 15.689 11.810 1.00 0.81 H new ATOM 2406 N LEU B 49 -6.269 11.847 6.676 1.00 0.41 N ATOM 2407 CA LEU B 49 -5.070 11.418 5.918 1.00 0.42 C ATOM 2408 C LEU B 49 -5.104 11.941 4.469 1.00 0.40 C ATOM 2409 O LEU B 49 -4.157 12.603 4.034 1.00 0.48 O ATOM 2410 CB LEU B 49 -4.941 9.877 5.943 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.641 9.272 5.361 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.411 9.722 6.147 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.724 7.747 5.342 1.00 0.62 C ATOM 0 H LEU B 49 -6.921 11.091 6.886 1.00 0.41 H new ATOM 0 HA LEU B 49 -4.193 11.849 6.402 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -5.036 9.546 6.977 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.785 9.457 5.395 1.00 0.43 H new ATOM 0 HG LEU B 49 -3.537 9.636 4.339 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.517 9.277 5.710 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.332 10.808 6.109 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -2.505 9.402 7.185 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -2.802 7.338 4.930 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -3.863 7.377 6.358 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -4.567 7.436 4.725 1.00 0.62 H new ATOM 2425 N LEU B 50 -6.193 11.638 3.729 1.00 0.38 N ATOM 2426 CA LEU B 50 -6.351 12.106 2.342 1.00 0.41 C ATOM 2427 C LEU B 50 -7.046 13.479 2.331 1.00 0.45 C ATOM 2428 O LEU B 50 -8.238 13.574 2.642 1.00 0.52 O ATOM 2429 CB LEU B 50 -7.157 11.089 1.489 1.00 0.44 C ATOM 2430 CG LEU B 50 -6.454 9.748 1.147 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -7.364 8.875 0.276 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -5.106 9.980 0.446 1.00 0.70 C ATOM 0 H LEU B 50 -6.971 11.073 4.071 1.00 0.38 H new ATOM 0 HA LEU B 50 -5.359 12.199 1.899 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -8.083 10.862 2.017 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -7.434 11.575 0.554 1.00 0.44 H new ATOM 0 HG LEU B 50 -6.256 9.229 2.085 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -6.857 7.938 0.045 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -8.289 8.664 0.813 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -7.595 9.401 -0.650 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -4.642 9.019 0.222 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -5.268 10.530 -0.481 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -4.450 10.555 1.100 1.00 0.70 H new ATOM 2444 N LYS B 51 -6.287 14.546 1.987 1.00 0.50 N ATOM 2445 CA LYS B 51 -6.824 15.933 1.941 1.00 0.58 C ATOM 2446 C LYS B 51 -8.064 16.069 1.026 1.00 0.53 C ATOM 2447 O LYS B 51 -8.971 16.851 1.331 1.00 0.61 O ATOM 2448 CB LYS B 51 -5.735 16.946 1.509 1.00 0.68 C ATOM 2449 CG LYS B 51 -5.021 16.617 0.191 1.00 0.72 C ATOM 2450 CD LYS B 51 -3.989 17.685 -0.178 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.155 17.294 -1.399 1.00 1.03 C ATOM 2452 NZ LYS B 51 -3.924 17.405 -2.676 1.00 1.23 N ATOM 0 H LYS B 51 -5.301 14.476 1.737 1.00 0.50 H new ATOM 0 HA LYS B 51 -7.142 16.163 2.958 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -6.193 17.931 1.419 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -4.989 17.012 2.301 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -4.527 15.649 0.277 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -5.756 16.530 -0.609 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -4.500 18.627 -0.377 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -3.327 17.855 0.671 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -2.273 17.933 -1.453 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -2.800 16.270 -1.280 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -3.357 17.018 -3.457 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -4.812 16.870 -2.594 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -4.139 18.405 -2.866 1.00 1.23 H new ATOM 2466 N ASP B 52 -8.093 15.313 -0.093 1.00 0.48 N ATOM 2467 CA ASP B 52 -9.221 15.348 -1.039 1.00 0.54 C ATOM 2468 C ASP B 52 -10.205 14.200 -0.745 1.00 0.48 C ATOM 2469 O ASP B 52 -10.028 13.078 -1.240 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.726 15.262 -2.504 1.00 0.69 C ATOM 2471 CG ASP B 52 -7.825 16.421 -2.916 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -8.264 17.588 -2.808 1.00 1.78 O ATOM 2473 OD2 ASP B 52 -6.685 16.159 -3.357 1.00 1.94 O ATOM 0 H ASP B 52 -7.346 14.672 -0.360 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.737 16.300 -0.909 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -8.184 14.326 -2.641 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -9.589 15.231 -3.169 1.00 0.69 H new ATOM 2478 N VAL B 53 -11.235 14.485 0.081 1.00 0.44 N ATOM 2479 CA VAL B 53 -12.260 13.480 0.440 1.00 0.45 C ATOM 2480 C VAL B 53 -13.413 13.463 -0.590 1.00 0.46 C ATOM 2481 O VAL B 53 -13.871 12.386 -0.985 1.00 0.57 O ATOM 2482 CB VAL B 53 -12.825 13.674 1.896 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -11.729 13.451 2.939 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -13.489 15.045 2.104 1.00 0.58 C ATOM 0 H VAL B 53 -11.379 15.399 0.510 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.757 12.513 0.420 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.603 12.922 2.026 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -12.143 13.591 3.938 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.339 12.437 2.846 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -10.922 14.166 2.778 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -13.859 15.119 3.127 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -12.759 15.834 1.924 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -14.321 15.156 1.409 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.870 14.663 -1.013 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.947 14.789 -2.001 1.00 0.51 C ATOM 2496 C GLY B 54 -14.444 14.858 -3.446 1.00 0.51 C ATOM 2497 O GLY B 54 -15.228 14.645 -4.376 1.00 0.67 O ATOM 0 H GLY B 54 -13.504 15.555 -0.680 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.623 13.940 -1.900 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -15.527 15.686 -1.783 1.00 0.51 H new ATOM 2501 N SER B 55 -13.138 15.165 -3.637 1.00 0.51 N ATOM 2502 CA SER B 55 -12.530 15.258 -4.976 1.00 0.57 C ATOM 2503 C SER B 55 -11.649 14.026 -5.273 1.00 0.52 C ATOM 2504 O SER B 55 -10.541 14.158 -5.810 1.00 0.63 O ATOM 2505 CB SER B 55 -11.711 16.563 -5.087 1.00 0.74 C ATOM 2506 OG SER B 55 -11.292 16.800 -6.421 1.00 0.92 O ATOM 0 H SER B 55 -12.488 15.352 -2.874 1.00 0.51 H new ATOM 0 HA SER B 55 -13.326 15.277 -5.721 1.00 0.57 H new ATOM 0 HB2 SER B 55 -12.313 17.402 -4.739 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.839 16.504 -4.435 1.00 0.74 H new ATOM 0 HG SER B 55 -10.747 16.047 -6.731 1.00 0.92 H new ATOM 2512 N LEU B 56 -12.156 12.817 -4.937 1.00 0.47 N ATOM 2513 CA LEU B 56 -11.423 11.561 -5.180 1.00 0.47 C ATOM 2514 C LEU B 56 -11.783 11.015 -6.581 1.00 0.48 C ATOM 2515 O LEU B 56 -12.459 9.987 -6.717 1.00 0.81 O ATOM 2516 CB LEU B 56 -11.729 10.521 -4.057 1.00 0.58 C ATOM 2517 CG LEU B 56 -10.635 9.457 -3.755 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -10.322 8.593 -4.978 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -9.359 10.108 -3.207 1.00 1.24 C ATOM 0 H LEU B 56 -13.068 12.689 -4.498 1.00 0.47 H new ATOM 0 HA LEU B 56 -10.351 11.755 -5.155 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -11.931 11.068 -3.136 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -12.646 9.996 -4.324 1.00 0.58 H new ATOM 0 HG LEU B 56 -11.038 8.799 -2.985 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -9.553 7.864 -4.721 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -11.225 8.071 -5.296 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -9.965 9.227 -5.790 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -8.615 9.337 -3.006 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -8.965 10.811 -3.941 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -9.589 10.639 -2.283 1.00 1.24 H new ATOM 2531 N ASP B 57 -11.336 11.745 -7.624 1.00 0.48 N ATOM 2532 CA ASP B 57 -11.576 11.370 -9.035 1.00 0.49 C ATOM 2533 C ASP B 57 -10.245 11.156 -9.780 1.00 0.44 C ATOM 2534 O ASP B 57 -10.128 10.210 -10.565 1.00 0.46 O ATOM 2535 CB ASP B 57 -12.459 12.419 -9.752 1.00 0.60 C ATOM 2536 CG ASP B 57 -11.945 13.849 -9.639 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -11.100 14.247 -10.468 1.00 0.69 O ATOM 2538 OD2 ASP B 57 -12.385 14.568 -8.714 1.00 0.73 O ATOM 0 H ASP B 57 -10.801 12.607 -7.514 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.119 10.425 -9.043 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -12.535 12.154 -10.807 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -13.467 12.373 -9.339 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.243 12.038 -9.534 1.00 0.45 N ATOM 2544 CA GLU B 58 -7.909 11.917 -10.166 1.00 0.50 C ATOM 2545 C GLU B 58 -7.230 10.588 -9.756 1.00 0.47 C ATOM 2546 O GLU B 58 -6.559 9.959 -10.579 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.014 13.127 -9.803 1.00 0.59 C ATOM 2548 CG GLU B 58 -5.749 13.249 -10.661 1.00 0.73 C ATOM 2549 CD GLU B 58 -4.958 14.516 -10.386 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -4.285 14.580 -9.336 1.00 1.06 O ATOM 2551 OE2 GLU B 58 -5.004 15.439 -11.226 1.00 1.10 O ATOM 0 H GLU B 58 -9.335 12.836 -8.905 1.00 0.45 H new ATOM 0 HA GLU B 58 -8.045 11.912 -11.248 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -7.599 14.041 -9.905 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -6.724 13.049 -8.755 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.111 12.384 -10.481 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -6.029 13.225 -11.714 1.00 0.73 H new ATOM 2558 N LYS B 59 -7.425 10.169 -8.482 1.00 0.43 N ATOM 2559 CA LYS B 59 -6.865 8.901 -7.968 1.00 0.48 C ATOM 2560 C LYS B 59 -7.766 7.705 -8.354 1.00 0.54 C ATOM 2561 O LYS B 59 -7.254 6.616 -8.606 1.00 0.91 O ATOM 2562 CB LYS B 59 -6.674 8.941 -6.428 1.00 0.52 C ATOM 2563 CG LYS B 59 -5.534 9.854 -5.936 1.00 0.59 C ATOM 2564 CD LYS B 59 -6.011 11.271 -5.593 1.00 0.79 C ATOM 2565 CE LYS B 59 -4.870 12.154 -5.085 1.00 1.19 C ATOM 2566 NZ LYS B 59 -5.294 13.576 -4.904 1.00 1.47 N ATOM 0 H LYS B 59 -7.966 10.693 -7.794 1.00 0.43 H new ATOM 0 HA LYS B 59 -5.886 8.772 -8.429 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -7.607 9.271 -5.970 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -6.486 7.927 -6.074 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.073 9.408 -5.055 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -4.764 9.911 -6.705 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -6.456 11.727 -6.477 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -6.792 11.217 -4.835 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -4.504 11.762 -4.136 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -4.039 12.111 -5.789 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -4.489 14.137 -4.559 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -5.619 13.960 -5.814 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -6.070 13.622 -4.213 1.00 1.47 H new ATOM 2580 N MET B 60 -9.108 7.917 -8.402 1.00 0.40 N ATOM 2581 CA MET B 60 -10.076 6.848 -8.761 1.00 0.43 C ATOM 2582 C MET B 60 -9.869 6.336 -10.206 1.00 0.45 C ATOM 2583 O MET B 60 -10.013 5.136 -10.460 1.00 0.49 O ATOM 2584 CB MET B 60 -11.528 7.341 -8.563 1.00 0.47 C ATOM 2585 CG MET B 60 -12.585 6.233 -8.591 1.00 0.55 C ATOM 2586 SD MET B 60 -14.229 6.818 -8.114 1.00 0.67 S ATOM 2587 CE MET B 60 -14.710 7.753 -9.566 1.00 0.81 C ATOM 0 H MET B 60 -9.542 8.817 -8.197 1.00 0.40 H new ATOM 0 HA MET B 60 -9.893 6.008 -8.091 1.00 0.43 H new ATOM 0 HB2 MET B 60 -11.594 7.864 -7.609 1.00 0.47 H new ATOM 0 HB3 MET B 60 -11.761 8.067 -9.342 1.00 0.47 H new ATOM 0 HG2 MET B 60 -12.633 5.808 -9.594 1.00 0.55 H new ATOM 0 HG3 MET B 60 -12.281 5.430 -7.919 1.00 0.55 H new ATOM 0 HE1 MET B 60 -15.719 8.143 -9.430 1.00 0.81 H new ATOM 0 HE2 MET B 60 -14.017 8.581 -9.711 1.00 0.81 H new ATOM 0 HE3 MET B 60 -14.688 7.103 -10.441 1.00 0.81 H new ATOM 2597 N LYS B 61 -9.538 7.250 -11.147 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.283 6.873 -12.557 1.00 0.53 C ATOM 2599 C LYS B 61 -7.951 6.111 -12.683 1.00 0.48 C ATOM 2600 O LYS B 61 -7.851 5.167 -13.474 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.276 8.114 -13.475 1.00 0.63 C ATOM 2602 CG LYS B 61 -10.643 8.803 -13.631 1.00 0.78 C ATOM 2603 CD LYS B 61 -11.700 7.932 -14.340 1.00 1.13 C ATOM 2604 CE LYS B 61 -11.336 7.582 -15.788 1.00 1.87 C ATOM 2605 NZ LYS B 61 -11.228 8.784 -16.668 1.00 2.39 N ATOM 0 H LYS B 61 -9.442 8.248 -10.957 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.094 6.218 -12.877 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -8.562 8.837 -13.081 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -8.918 7.818 -14.461 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.015 9.079 -12.644 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -10.512 9.728 -14.192 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -11.837 7.010 -13.775 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -12.656 8.456 -14.331 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -10.388 7.044 -15.799 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -12.090 6.908 -16.194 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -11.030 8.483 -17.644 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -12.123 9.314 -16.643 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -10.456 9.393 -16.330 1.00 2.39 H new ATOM 2619 N SER B 62 -6.930 6.536 -11.906 1.00 0.46 N ATOM 2620 CA SER B 62 -5.615 5.862 -11.889 1.00 0.47 C ATOM 2621 C SER B 62 -5.711 4.502 -11.159 1.00 0.44 C ATOM 2622 O SER B 62 -4.930 3.587 -11.435 1.00 0.50 O ATOM 2623 CB SER B 62 -4.558 6.748 -11.211 1.00 0.54 C ATOM 2624 OG SER B 62 -4.409 7.977 -11.900 1.00 0.63 O ATOM 0 H SER B 62 -6.992 7.342 -11.284 1.00 0.46 H new ATOM 0 HA SER B 62 -5.313 5.687 -12.921 1.00 0.47 H new ATOM 0 HB2 SER B 62 -4.847 6.939 -10.177 1.00 0.54 H new ATOM 0 HB3 SER B 62 -3.603 6.224 -11.183 1.00 0.54 H new ATOM 0 HG SER B 62 -5.044 8.632 -11.542 1.00 0.63 H new ATOM 2630 N LEU B 63 -6.689 4.392 -10.226 1.00 0.41 N ATOM 2631 CA LEU B 63 -6.936 3.169 -9.444 1.00 0.44 C ATOM 2632 C LEU B 63 -7.508 2.045 -10.327 1.00 0.47 C ATOM 2633 O LEU B 63 -6.859 1.011 -10.505 1.00 0.57 O ATOM 2634 CB LEU B 63 -7.915 3.470 -8.277 1.00 0.45 C ATOM 2635 CG LEU B 63 -7.281 4.027 -6.984 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.329 4.738 -6.116 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -6.602 2.910 -6.201 1.00 0.69 C ATOM 0 H LEU B 63 -7.327 5.155 -9.999 1.00 0.41 H new ATOM 0 HA LEU B 63 -5.981 2.832 -9.040 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -8.659 4.184 -8.629 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -8.447 2.551 -8.030 1.00 0.45 H new ATOM 0 HG LEU B 63 -6.527 4.762 -7.266 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -7.854 5.120 -5.212 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -8.764 5.566 -6.676 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -9.114 4.033 -5.843 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -6.160 3.319 -5.292 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -7.339 2.151 -5.936 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.821 2.459 -6.813 1.00 0.69 H new ATOM 2649 N ASP B 64 -8.721 2.266 -10.889 1.00 0.47 N ATOM 2650 CA ASP B 64 -9.388 1.269 -11.746 1.00 0.55 C ATOM 2651 C ASP B 64 -8.783 1.292 -13.168 1.00 0.53 C ATOM 2652 O ASP B 64 -9.365 1.862 -14.102 1.00 0.60 O ATOM 2653 CB ASP B 64 -10.923 1.510 -11.771 1.00 0.66 C ATOM 2654 CG ASP B 64 -11.720 0.230 -11.980 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -12.061 -0.427 -10.974 1.00 1.32 O ATOM 2656 OD2 ASP B 64 -11.997 -0.116 -13.145 1.00 1.27 O ATOM 0 H ASP B 64 -9.253 3.127 -10.761 1.00 0.47 H new ATOM 0 HA ASP B 64 -9.219 0.276 -11.330 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -11.228 1.973 -10.833 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.162 2.215 -12.567 1.00 0.66 H new ATOM 2661 N VAL B 65 -7.589 0.681 -13.313 1.00 0.53 N ATOM 2662 CA VAL B 65 -6.876 0.616 -14.603 1.00 0.56 C ATOM 2663 C VAL B 65 -7.364 -0.580 -15.461 1.00 0.56 C ATOM 2664 O VAL B 65 -7.373 -0.491 -16.692 1.00 0.61 O ATOM 2665 CB VAL B 65 -5.315 0.581 -14.399 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -4.831 -0.701 -13.705 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -4.568 0.806 -15.722 1.00 0.72 C ATOM 0 H VAL B 65 -7.097 0.223 -12.546 1.00 0.53 H new ATOM 0 HA VAL B 65 -7.111 1.528 -15.151 1.00 0.56 H new ATOM 0 HB VAL B 65 -5.079 1.408 -13.729 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -3.747 -0.667 -13.592 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -5.296 -0.780 -12.722 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.106 -1.567 -14.307 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -3.493 0.775 -15.543 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -4.840 0.024 -16.431 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -4.840 1.779 -16.132 1.00 0.72 H new ATOM 2677 N ASN B 66 -7.782 -1.687 -14.802 1.00 0.56 N ATOM 2678 CA ASN B 66 -8.274 -2.894 -15.507 1.00 0.60 C ATOM 2679 C ASN B 66 -9.655 -2.652 -16.169 1.00 0.61 C ATOM 2680 O ASN B 66 -9.977 -3.304 -17.168 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.346 -4.091 -14.531 1.00 0.65 C ATOM 2682 CG ASN B 66 -8.229 -5.446 -15.223 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -7.123 -5.955 -15.414 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -9.363 -6.045 -15.597 1.00 1.32 N ATOM 0 H ASN B 66 -7.788 -1.769 -13.785 1.00 0.56 H new ATOM 0 HA ASN B 66 -7.566 -3.124 -16.303 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -7.548 -3.998 -13.794 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -9.289 -4.050 -13.986 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -9.331 -6.955 -16.057 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -10.260 -5.593 -15.422 1.00 1.32 H new ATOM 2691 N GLN B 67 -10.468 -1.725 -15.596 1.00 0.59 N ATOM 2692 CA GLN B 67 -11.808 -1.370 -16.124 1.00 0.64 C ATOM 2693 C GLN B 67 -12.772 -2.584 -16.101 1.00 0.64 C ATOM 2694 O GLN B 67 -13.007 -3.224 -17.133 1.00 0.77 O ATOM 2695 CB GLN B 67 -11.708 -0.749 -17.548 1.00 0.75 C ATOM 2696 CG GLN B 67 -10.790 0.487 -17.655 1.00 0.96 C ATOM 2697 CD GLN B 67 -11.537 1.818 -17.800 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -12.624 1.998 -17.246 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -10.957 2.764 -18.546 1.00 1.87 N ATOM 0 H GLN B 67 -10.211 -1.205 -14.757 1.00 0.59 H new ATOM 0 HA GLN B 67 -12.228 -0.612 -15.463 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -11.347 -1.513 -18.237 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -12.709 -0.470 -17.878 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -10.158 0.533 -16.768 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -10.128 0.360 -18.512 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -10.057 2.583 -18.991 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -11.414 3.667 -18.670 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.309 -2.903 -14.898 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.247 -4.029 -14.713 1.00 0.72 C ATOM 2710 C ASP B 68 -15.515 -3.563 -13.959 1.00 0.79 C ATOM 2711 O ASP B 68 -16.587 -3.481 -14.563 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.537 -5.197 -13.978 1.00 0.76 C ATOM 2713 CG ASP B 68 -14.408 -6.441 -13.818 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -14.523 -7.218 -14.791 1.00 1.16 O ATOM 2715 OD2 ASP B 68 -14.963 -6.642 -12.716 1.00 1.25 O ATOM 0 H ASP B 68 -13.105 -2.391 -14.040 1.00 0.65 H new ATOM 0 HA ASP B 68 -14.566 -4.392 -15.690 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.634 -5.465 -14.527 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -13.221 -4.856 -12.992 1.00 0.76 H new ATOM 2720 N SER B 69 -15.381 -3.255 -12.643 1.00 0.66 N ATOM 2721 CA SER B 69 -16.513 -2.794 -11.797 1.00 0.71 C ATOM 2722 C SER B 69 -16.043 -2.461 -10.366 1.00 0.71 C ATOM 2723 O SER B 69 -16.352 -1.383 -9.847 1.00 1.26 O ATOM 2724 CB SER B 69 -17.652 -3.839 -11.739 1.00 0.86 C ATOM 2725 OG SER B 69 -18.756 -3.357 -10.986 1.00 1.35 O ATOM 0 H SER B 69 -14.494 -3.318 -12.142 1.00 0.66 H new ATOM 0 HA SER B 69 -16.901 -1.888 -12.263 1.00 0.71 H new ATOM 0 HB2 SER B 69 -17.977 -4.082 -12.751 1.00 0.86 H new ATOM 0 HB3 SER B 69 -17.280 -4.762 -11.293 1.00 0.86 H new ATOM 0 HG SER B 69 -19.461 -4.037 -10.967 1.00 1.35 H new ATOM 2731 N GLU B 70 -15.303 -3.400 -9.731 1.00 0.69 N ATOM 2732 CA GLU B 70 -14.778 -3.215 -8.364 1.00 0.75 C ATOM 2733 C GLU B 70 -13.244 -3.135 -8.383 1.00 0.62 C ATOM 2734 O GLU B 70 -12.595 -3.769 -9.223 1.00 0.78 O ATOM 2735 CB GLU B 70 -15.229 -4.370 -7.447 1.00 1.11 C ATOM 2736 CG GLU B 70 -16.742 -4.451 -7.230 1.00 1.39 C ATOM 2737 CD GLU B 70 -17.169 -5.731 -6.537 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -16.668 -6.004 -5.424 1.00 2.40 O ATOM 2739 OE2 GLU B 70 -18.010 -6.461 -7.104 1.00 2.37 O ATOM 0 H GLU B 70 -15.057 -4.297 -10.149 1.00 0.69 H new ATOM 0 HA GLU B 70 -15.177 -2.279 -7.973 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -14.884 -5.312 -7.873 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -14.741 -4.261 -6.479 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -17.065 -3.596 -6.636 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -17.247 -4.379 -8.193 1.00 1.39 H new ATOM 2746 N LEU B 71 -12.667 -2.357 -7.447 1.00 0.54 N ATOM 2747 CA LEU B 71 -11.206 -2.190 -7.356 1.00 0.51 C ATOM 2748 C LEU B 71 -10.545 -3.402 -6.679 1.00 0.50 C ATOM 2749 O LEU B 71 -10.618 -3.553 -5.455 1.00 0.52 O ATOM 2750 CB LEU B 71 -10.824 -0.901 -6.580 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.016 0.444 -7.322 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -12.491 0.700 -7.654 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -10.447 1.592 -6.483 1.00 0.92 C ATOM 0 H LEU B 71 -13.191 -1.835 -6.744 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.838 -2.107 -8.379 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.412 -0.870 -5.663 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -9.778 -0.980 -6.285 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.473 0.388 -8.266 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -12.587 1.653 -8.174 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -12.865 -0.101 -8.292 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.072 0.730 -6.732 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -10.587 2.534 -7.013 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -10.965 1.634 -5.525 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -9.383 1.426 -6.313 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.909 -4.272 -7.486 1.00 0.52 N ATOM 2766 CA LYS B 72 -9.189 -5.453 -6.964 1.00 0.54 C ATOM 2767 C LYS B 72 -7.966 -4.977 -6.149 1.00 0.48 C ATOM 2768 O LYS B 72 -7.594 -3.809 -6.259 1.00 0.46 O ATOM 2769 CB LYS B 72 -8.749 -6.366 -8.137 1.00 0.60 C ATOM 2770 CG LYS B 72 -8.586 -7.837 -7.760 1.00 0.78 C ATOM 2771 CD LYS B 72 -8.124 -8.689 -8.943 1.00 0.91 C ATOM 2772 CE LYS B 72 -8.130 -10.184 -8.614 1.00 1.29 C ATOM 2773 NZ LYS B 72 -7.199 -10.540 -7.498 1.00 1.81 N ATOM 0 H LYS B 72 -9.878 -4.181 -8.501 1.00 0.52 H new ATOM 0 HA LYS B 72 -9.846 -6.031 -6.314 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -9.483 -6.287 -8.939 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -7.803 -5.998 -8.534 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -7.864 -7.924 -6.948 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -9.535 -8.222 -7.386 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -8.774 -8.504 -9.798 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -7.118 -8.387 -9.236 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -9.142 -10.488 -8.346 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -7.853 -10.748 -9.505 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -7.246 -11.564 -7.320 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -6.227 -10.278 -7.760 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -7.476 -10.026 -6.637 1.00 1.81 H new ATOM 2787 N PHE B 73 -7.341 -5.853 -5.330 1.00 0.51 N ATOM 2788 CA PHE B 73 -6.157 -5.440 -4.533 1.00 0.49 C ATOM 2789 C PHE B 73 -4.985 -4.987 -5.441 1.00 0.46 C ATOM 2790 O PHE B 73 -4.168 -4.160 -5.026 1.00 0.46 O ATOM 2791 CB PHE B 73 -5.704 -6.546 -3.550 1.00 0.55 C ATOM 2792 CG PHE B 73 -5.282 -6.002 -2.199 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -4.049 -5.382 -2.037 1.00 0.89 C ATOM 2794 CD2 PHE B 73 -6.126 -6.096 -1.098 1.00 0.90 C ATOM 2795 CE1 PHE B 73 -3.672 -4.872 -0.814 1.00 1.14 C ATOM 2796 CE2 PHE B 73 -5.747 -5.588 0.128 1.00 1.15 C ATOM 2797 CZ PHE B 73 -4.520 -4.974 0.272 1.00 1.23 C ATOM 0 H PHE B 73 -7.624 -6.825 -5.203 1.00 0.51 H new ATOM 0 HA PHE B 73 -6.466 -4.582 -3.936 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -6.519 -7.257 -3.411 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -4.872 -7.097 -3.990 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -3.378 -5.299 -2.880 1.00 0.89 H new ATOM 0 HD2 PHE B 73 -7.090 -6.572 -1.203 1.00 0.90 H new ATOM 0 HE1 PHE B 73 -2.711 -4.391 -0.704 1.00 1.14 H new ATOM 0 HE2 PHE B 73 -6.411 -5.671 0.975 1.00 1.15 H new ATOM 0 HZ PHE B 73 -4.223 -4.574 1.230 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.920 -5.527 -6.683 1.00 0.47 N ATOM 2808 CA ASN B 74 -3.890 -5.137 -7.667 1.00 0.50 C ATOM 2809 C ASN B 74 -4.185 -3.712 -8.196 1.00 0.48 C ATOM 2810 O ASN B 74 -3.260 -2.935 -8.439 1.00 0.54 O ATOM 2811 CB ASN B 74 -3.841 -6.152 -8.830 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.738 -5.864 -9.852 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -2.978 -5.205 -10.867 1.00 0.99 O ATOM 2814 ND2 ASN B 74 -1.524 -6.352 -9.593 1.00 0.93 N ATOM 0 H ASN B 74 -5.571 -6.234 -7.023 1.00 0.47 H new ATOM 0 HA ASN B 74 -2.915 -5.136 -7.179 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -3.694 -7.152 -8.422 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.805 -6.154 -9.339 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -0.757 -6.184 -10.245 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -1.362 -6.893 -8.743 1.00 0.93 H new ATOM 2821 N GLU B 75 -5.486 -3.388 -8.385 1.00 0.44 N ATOM 2822 CA GLU B 75 -5.919 -2.051 -8.846 1.00 0.47 C ATOM 2823 C GLU B 75 -5.920 -1.033 -7.681 1.00 0.41 C ATOM 2824 O GLU B 75 -5.634 0.147 -7.897 1.00 0.42 O ATOM 2825 CB GLU B 75 -7.326 -2.105 -9.492 1.00 0.54 C ATOM 2826 CG GLU B 75 -7.362 -2.660 -10.921 1.00 0.64 C ATOM 2827 CD GLU B 75 -7.317 -4.180 -10.978 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -6.201 -4.743 -10.967 1.00 0.93 O ATOM 2829 OE2 GLU B 75 -8.399 -4.805 -11.035 1.00 0.91 O ATOM 0 H GLU B 75 -6.255 -4.038 -8.224 1.00 0.44 H new ATOM 0 HA GLU B 75 -5.202 -1.724 -9.599 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -7.974 -2.717 -8.864 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -7.745 -1.099 -9.498 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -8.269 -2.312 -11.416 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -6.518 -2.257 -11.481 1.00 0.64 H new ATOM 2836 N TYR B 76 -6.235 -1.501 -6.446 1.00 0.41 N ATOM 2837 CA TYR B 76 -6.267 -0.635 -5.246 1.00 0.39 C ATOM 2838 C TYR B 76 -4.844 -0.341 -4.704 1.00 0.36 C ATOM 2839 O TYR B 76 -4.678 0.522 -3.833 1.00 0.43 O ATOM 2840 CB TYR B 76 -7.164 -1.267 -4.151 1.00 0.43 C ATOM 2841 CG TYR B 76 -7.483 -0.342 -2.974 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.272 0.796 -3.145 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.992 -0.600 -1.696 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -8.559 1.636 -2.087 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -7.276 0.237 -0.634 1.00 0.59 C ATOM 2846 CZ TYR B 76 -8.060 1.355 -0.833 1.00 0.59 C ATOM 2847 OH TYR B 76 -8.349 2.189 0.229 1.00 0.71 O ATOM 0 H TYR B 76 -6.470 -2.476 -6.258 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.697 0.323 -5.538 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -8.100 -1.588 -4.608 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -6.672 -2.162 -3.769 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -8.666 1.025 -4.124 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -6.377 -1.472 -1.532 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -9.173 2.511 -2.242 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -6.886 0.017 0.349 1.00 0.59 H new ATOM 0 HH TYR B 76 -7.920 1.846 1.041 1.00 0.71 H new ATOM 2857 N TRP B 77 -3.820 -1.049 -5.240 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.402 -0.862 -4.851 1.00 0.40 C ATOM 2859 C TRP B 77 -1.936 0.615 -5.039 1.00 0.35 C ATOM 2860 O TRP B 77 -1.005 1.057 -4.357 1.00 0.37 O ATOM 2861 CB TRP B 77 -1.536 -1.903 -5.640 1.00 0.58 C ATOM 2862 CG TRP B 77 -0.120 -1.522 -6.003 1.00 0.48 C ATOM 2863 CD1 TRP B 77 0.866 -1.082 -5.168 1.00 0.56 C ATOM 2864 CD2 TRP B 77 0.475 -1.598 -7.310 1.00 0.74 C ATOM 2865 NE1 TRP B 77 2.018 -0.852 -5.878 1.00 0.79 N ATOM 2866 CE2 TRP B 77 1.801 -1.163 -7.192 1.00 0.94 C ATOM 2867 CE3 TRP B 77 0.002 -1.983 -8.569 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 2.664 -1.097 -8.284 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 0.861 -1.923 -9.649 1.00 1.37 C ATOM 2870 CH2 TRP B 77 2.179 -1.481 -9.502 1.00 1.54 C ATOM 0 H TRP B 77 -3.955 -1.765 -5.954 1.00 0.39 H new ATOM 0 HA TRP B 77 -2.275 -1.050 -3.785 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -1.494 -2.818 -5.049 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -2.063 -2.144 -6.563 1.00 0.58 H new ATOM 0 HD1 TRP B 77 0.756 -0.936 -4.104 1.00 0.56 H new ATOM 0 HE1 TRP B 77 2.895 -0.505 -5.488 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -1.016 -2.321 -8.694 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 3.682 -0.754 -8.171 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 0.508 -2.223 -10.625 1.00 1.37 H new ATOM 0 HH2 TRP B 77 2.825 -1.442 -10.367 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.605 1.371 -5.945 1.00 0.37 N ATOM 2882 CA ARG B 78 -2.287 2.798 -6.196 1.00 0.41 C ATOM 2883 C ARG B 78 -2.568 3.681 -4.961 1.00 0.38 C ATOM 2884 O ARG B 78 -1.761 4.556 -4.640 1.00 0.45 O ATOM 2885 CB ARG B 78 -3.097 3.345 -7.396 1.00 0.49 C ATOM 2886 CG ARG B 78 -2.760 2.721 -8.752 1.00 0.68 C ATOM 2887 CD ARG B 78 -1.505 3.326 -9.385 1.00 0.88 C ATOM 2888 NE ARG B 78 -1.449 3.090 -10.840 1.00 1.17 N ATOM 2889 CZ ARG B 78 -0.977 1.977 -11.445 1.00 1.72 C ATOM 2890 NH1 ARG B 78 -0.510 0.937 -10.740 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -0.974 1.908 -12.776 1.00 2.15 N ATOM 0 H ARG B 78 -3.371 1.013 -6.516 1.00 0.37 H new ATOM 0 HA ARG B 78 -1.221 2.840 -6.420 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -4.158 3.191 -7.197 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -2.938 4.421 -7.460 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -2.618 1.647 -8.628 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -3.604 2.855 -9.429 1.00 0.68 H new ATOM 0 HD2 ARG B 78 -1.482 4.398 -9.191 1.00 0.88 H new ATOM 0 HD3 ARG B 78 -0.620 2.898 -8.914 1.00 0.88 H new ATOM 0 HE ARG B 78 -1.798 3.834 -11.444 1.00 1.17 H new ATOM 0 HH11 ARG B 78 -0.505 0.973 -9.721 1.00 2.14 H new ATOM 0 HH12 ARG B 78 -0.160 0.110 -11.223 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -1.326 2.690 -13.328 1.00 2.15 H new ATOM 0 HH22 ARG B 78 -0.620 1.073 -13.243 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.709 3.442 -4.266 1.00 0.33 N ATOM 2906 CA LEU B 79 -4.086 4.245 -3.077 1.00 0.34 C ATOM 2907 C LEU B 79 -3.245 3.862 -1.851 1.00 0.32 C ATOM 2908 O LEU B 79 -3.001 4.710 -0.995 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.599 4.129 -2.735 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.260 5.418 -2.175 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.344 6.518 -3.241 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.650 5.124 -1.602 1.00 0.48 C ATOM 0 H LEU B 79 -4.376 2.709 -4.505 1.00 0.33 H new ATOM 0 HA LEU B 79 -3.881 5.283 -3.337 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -6.135 3.829 -3.635 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.728 3.329 -2.006 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.624 5.779 -1.367 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -6.812 7.405 -2.813 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -5.341 6.768 -3.586 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -6.939 6.164 -4.083 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -8.087 6.045 -1.218 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.289 4.719 -2.387 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.564 4.398 -0.793 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.817 2.580 -1.766 1.00 0.34 N ATOM 2925 CA ILE B 80 -1.968 2.095 -0.650 1.00 0.37 C ATOM 2926 C ILE B 80 -0.656 2.912 -0.601 1.00 0.36 C ATOM 2927 O ILE B 80 -0.165 3.224 0.487 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.651 0.557 -0.771 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -2.956 -0.286 -0.871 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -0.766 0.055 0.388 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -3.840 -0.285 0.372 1.00 0.56 C ATOM 0 H ILE B 80 -3.045 1.864 -2.455 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.523 2.236 0.277 1.00 0.37 H new ATOM 0 HB ILE B 80 -1.088 0.425 -1.695 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -3.542 0.084 -1.712 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -2.685 -1.316 -1.101 1.00 0.47 H new ATOM 0 HG21 ILE B 80 -0.573 -1.011 0.263 1.00 0.54 H new ATOM 0 HG22 ILE B 80 0.179 0.598 0.385 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -1.278 0.223 1.336 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -4.720 -0.902 0.193 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -3.281 -0.687 1.217 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -4.152 0.735 0.596 1.00 0.56 H new ATOM 2943 N GLY B 81 -0.102 3.249 -1.796 1.00 0.36 N ATOM 2944 CA GLY B 81 1.113 4.062 -1.886 1.00 0.39 C ATOM 2945 C GLY B 81 0.833 5.544 -1.624 1.00 0.37 C ATOM 2946 O GLY B 81 1.677 6.239 -1.051 1.00 0.42 O ATOM 0 H GLY B 81 -0.484 2.966 -2.698 1.00 0.36 H new ATOM 0 HA2 GLY B 81 1.846 3.699 -1.166 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.554 3.946 -2.876 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.360 6.023 -2.052 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.792 7.420 -1.833 1.00 0.36 C ATOM 2952 C GLU B 82 -1.127 7.654 -0.344 1.00 0.33 C ATOM 2953 O GLU B 82 -0.947 8.762 0.167 1.00 0.40 O ATOM 2954 CB GLU B 82 -2.030 7.751 -2.697 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.793 7.700 -4.211 1.00 0.49 C ATOM 2956 CD GLU B 82 -1.184 8.977 -4.774 1.00 0.61 C ATOM 2957 OE1 GLU B 82 -1.839 10.037 -4.688 1.00 0.91 O ATOM 2958 OE2 GLU B 82 -0.058 8.914 -5.310 1.00 0.79 O ATOM 0 H GLU B 82 -1.043 5.456 -2.554 1.00 0.34 H new ATOM 0 HA GLU B 82 0.029 8.075 -2.124 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.828 7.053 -2.445 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -2.384 8.748 -2.433 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -1.135 6.862 -4.440 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.741 7.507 -4.713 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.623 6.588 0.339 1.00 0.33 N ATOM 2966 CA LEU B 83 -1.973 6.633 1.775 1.00 0.35 C ATOM 2967 C LEU B 83 -0.737 6.987 2.627 1.00 0.37 C ATOM 2968 O LEU B 83 -0.803 7.881 3.477 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.588 5.276 2.235 1.00 0.42 C ATOM 2970 CG LEU B 83 -4.099 5.296 2.576 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -4.962 5.486 1.326 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -4.506 4.020 3.320 1.00 0.63 C ATOM 0 H LEU B 83 -1.789 5.679 -0.093 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.721 7.413 1.919 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -2.423 4.540 1.448 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -2.042 4.932 3.113 1.00 0.42 H new ATOM 0 HG LEU B 83 -4.272 6.151 3.229 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -6.015 5.494 1.608 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.707 6.432 0.848 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.780 4.667 0.630 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -5.571 4.056 3.549 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -4.299 3.152 2.694 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -3.938 3.942 4.247 1.00 0.63 H new ATOM 2984 N ALA B 84 0.388 6.284 2.378 1.00 0.38 N ATOM 2985 CA ALA B 84 1.652 6.527 3.099 1.00 0.44 C ATOM 2986 C ALA B 84 2.369 7.800 2.599 1.00 0.45 C ATOM 2987 O ALA B 84 3.158 8.392 3.341 1.00 0.55 O ATOM 2988 CB ALA B 84 2.574 5.316 2.981 1.00 0.55 C ATOM 0 H ALA B 84 0.445 5.542 1.681 1.00 0.38 H new ATOM 0 HA ALA B 84 1.403 6.685 4.148 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.502 5.512 3.518 1.00 0.55 H new ATOM 0 HB2 ALA B 84 2.084 4.442 3.410 1.00 0.55 H new ATOM 0 HB3 ALA B 84 2.796 5.128 1.930 1.00 0.55 H new ATOM 2994 N LYS B 85 2.096 8.214 1.339 1.00 0.41 N ATOM 2995 CA LYS B 85 2.703 9.426 0.754 1.00 0.45 C ATOM 2996 C LYS B 85 2.088 10.714 1.349 1.00 0.47 C ATOM 2997 O LYS B 85 2.798 11.708 1.531 1.00 0.57 O ATOM 2998 CB LYS B 85 2.543 9.425 -0.785 1.00 0.49 C ATOM 2999 CG LYS B 85 3.373 10.493 -1.513 1.00 0.57 C ATOM 3000 CD LYS B 85 2.995 10.648 -2.995 1.00 0.66 C ATOM 3001 CE LYS B 85 3.511 9.504 -3.876 1.00 0.79 C ATOM 3002 NZ LYS B 85 2.480 8.450 -4.113 1.00 1.10 N ATOM 0 H LYS B 85 1.459 7.724 0.711 1.00 0.41 H new ATOM 0 HA LYS B 85 3.764 9.413 1.002 1.00 0.45 H new ATOM 0 HB2 LYS B 85 2.823 8.443 -1.166 1.00 0.49 H new ATOM 0 HB3 LYS B 85 1.491 9.573 -1.028 1.00 0.49 H new ATOM 0 HG2 LYS B 85 3.243 11.451 -1.009 1.00 0.57 H new ATOM 0 HG3 LYS B 85 4.430 10.235 -1.439 1.00 0.57 H new ATOM 0 HD2 LYS B 85 1.910 10.703 -3.082 1.00 0.66 H new ATOM 0 HD3 LYS B 85 3.393 11.592 -3.367 1.00 0.66 H new ATOM 0 HE2 LYS B 85 3.839 9.908 -4.834 1.00 0.79 H new ATOM 0 HE3 LYS B 85 4.384 9.053 -3.405 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 2.870 7.718 -4.741 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 2.209 8.019 -3.206 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 1.642 8.877 -4.557 1.00 1.10 H new ATOM 3016 N GLU B 86 0.769 10.687 1.655 1.00 0.42 N ATOM 3017 CA GLU B 86 0.052 11.852 2.212 1.00 0.46 C ATOM 3018 C GLU B 86 -0.132 11.745 3.750 1.00 0.50 C ATOM 3019 O GLU B 86 -1.164 12.161 4.288 1.00 0.81 O ATOM 3020 CB GLU B 86 -1.313 12.012 1.490 1.00 0.52 C ATOM 3021 CG GLU B 86 -1.204 12.596 0.077 1.00 0.59 C ATOM 3022 CD GLU B 86 -2.507 12.510 -0.703 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -2.755 11.458 -1.331 1.00 1.48 O ATOM 3024 OE2 GLU B 86 -3.276 13.497 -0.691 1.00 1.68 O ATOM 0 H GLU B 86 0.180 9.865 1.523 1.00 0.42 H new ATOM 0 HA GLU B 86 0.656 12.742 2.037 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.799 11.038 1.433 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -1.957 12.655 2.090 1.00 0.52 H new ATOM 0 HG2 GLU B 86 -0.895 13.639 0.144 1.00 0.59 H new ATOM 0 HG3 GLU B 86 -0.424 12.067 -0.470 1.00 0.59 H new ATOM 3031 N ILE B 87 0.888 11.204 4.456 1.00 0.48 N ATOM 3032 CA ILE B 87 0.860 11.066 5.930 1.00 0.51 C ATOM 3033 C ILE B 87 1.713 12.181 6.585 1.00 0.53 C ATOM 3034 O ILE B 87 1.319 12.747 7.609 1.00 0.58 O ATOM 3035 CB ILE B 87 1.325 9.620 6.382 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.739 9.209 7.769 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.852 9.441 6.357 1.00 0.62 C ATOM 3038 CD1 ILE B 87 1.127 10.090 8.947 1.00 0.63 C ATOM 0 H ILE B 87 1.744 10.855 4.026 1.00 0.48 H new ATOM 0 HA ILE B 87 -0.168 11.185 6.272 1.00 0.51 H new ATOM 0 HB ILE B 87 0.912 8.942 5.635 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.348 9.198 7.692 1.00 0.61 H new ATOM 0 HG13 ILE B 87 1.054 8.188 7.986 1.00 0.61 H new ATOM 0 HG21 ILE B 87 3.105 8.430 6.677 1.00 0.62 H new ATOM 0 HG22 ILE B 87 3.221 9.604 5.344 1.00 0.62 H new ATOM 0 HG23 ILE B 87 3.314 10.162 7.032 1.00 0.62 H new ATOM 0 HD11 ILE B 87 0.662 9.708 9.856 1.00 0.63 H new ATOM 0 HD12 ILE B 87 2.211 10.084 9.064 1.00 0.63 H new ATOM 0 HD13 ILE B 87 0.787 11.110 8.766 1.00 0.63 H new ATOM 3050 N ARG B 88 2.872 12.496 5.973 1.00 0.57 N ATOM 3051 CA ARG B 88 3.777 13.539 6.477 1.00 0.67 C ATOM 3052 C ARG B 88 3.887 14.734 5.506 1.00 0.67 C ATOM 3053 O ARG B 88 3.982 15.879 5.957 1.00 0.84 O ATOM 3054 CB ARG B 88 5.174 12.942 6.772 1.00 0.75 C ATOM 3055 CG ARG B 88 5.960 12.440 5.546 1.00 0.82 C ATOM 3056 CD ARG B 88 6.350 10.970 5.655 1.00 1.05 C ATOM 3057 NE ARG B 88 6.887 10.460 4.381 1.00 1.17 N ATOM 3058 CZ ARG B 88 6.680 9.225 3.880 1.00 1.26 C ATOM 3059 NH1 ARG B 88 6.026 8.280 4.570 1.00 1.64 N ATOM 3060 NH2 ARG B 88 7.156 8.928 2.674 1.00 1.55 N ATOM 0 H ARG B 88 3.202 12.037 5.124 1.00 0.57 H new ATOM 0 HA ARG B 88 3.351 13.921 7.405 1.00 0.67 H new ATOM 0 HB2 ARG B 88 5.772 13.699 7.279 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.054 12.112 7.468 1.00 0.75 H new ATOM 0 HG2 ARG B 88 5.358 12.586 4.649 1.00 0.82 H new ATOM 0 HG3 ARG B 88 6.861 13.042 5.426 1.00 0.82 H new ATOM 0 HD2 ARG B 88 7.095 10.847 6.441 1.00 1.05 H new ATOM 0 HD3 ARG B 88 5.480 10.382 5.946 1.00 1.05 H new ATOM 0 HE ARG B 88 7.465 11.096 3.831 1.00 1.17 H new ATOM 0 HH11 ARG B 88 5.668 8.485 5.503 1.00 1.64 H new ATOM 0 HH12 ARG B 88 5.886 7.356 4.162 1.00 1.64 H new ATOM 0 HH21 ARG B 88 7.670 9.630 2.141 1.00 1.55 H new ATOM 0 HH22 ARG B 88 7.007 7.998 2.282 1.00 1.55 H new ATOM 3074 N LYS B 89 3.861 14.468 4.178 1.00 0.60 N ATOM 3075 CA LYS B 89 3.984 15.523 3.161 1.00 0.67 C ATOM 3076 C LYS B 89 2.750 15.587 2.235 1.00 0.63 C ATOM 3077 O LYS B 89 2.867 15.458 1.010 1.00 0.76 O ATOM 3078 CB LYS B 89 5.299 15.358 2.354 1.00 0.76 C ATOM 3079 CG LYS B 89 5.501 13.996 1.667 1.00 0.78 C ATOM 3080 CD LYS B 89 6.535 14.080 0.536 1.00 1.06 C ATOM 3081 CE LYS B 89 6.674 12.763 -0.229 1.00 1.32 C ATOM 3082 NZ LYS B 89 7.541 12.902 -1.437 1.00 1.65 N ATOM 0 H LYS B 89 3.756 13.529 3.793 1.00 0.60 H new ATOM 0 HA LYS B 89 4.027 16.478 3.684 1.00 0.67 H new ATOM 0 HB2 LYS B 89 5.334 16.136 1.592 1.00 0.76 H new ATOM 0 HB3 LYS B 89 6.139 15.532 3.026 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.826 13.261 2.404 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.550 13.646 1.266 1.00 0.78 H new ATOM 0 HD2 LYS B 89 6.247 14.870 -0.157 1.00 1.06 H new ATOM 0 HD3 LYS B 89 7.503 14.358 0.953 1.00 1.06 H new ATOM 0 HE2 LYS B 89 7.093 12.004 0.431 1.00 1.32 H new ATOM 0 HE3 LYS B 89 5.686 12.414 -0.531 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 7.607 11.986 -1.924 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 7.129 13.608 -2.081 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 8.492 13.210 -1.149 1.00 1.65 H new ATOM 3096 N LYS B 90 1.559 15.800 2.837 1.00 0.58 N ATOM 3097 CA LYS B 90 0.301 15.935 2.068 1.00 0.56 C ATOM 3098 C LYS B 90 0.203 17.365 1.496 1.00 0.54 C ATOM 3099 O LYS B 90 -0.324 17.566 0.398 1.00 0.58 O ATOM 3100 CB LYS B 90 -0.957 15.579 2.917 1.00 0.59 C ATOM 3101 CG LYS B 90 -1.057 16.259 4.296 1.00 0.66 C ATOM 3102 CD LYS B 90 -0.585 15.351 5.448 1.00 0.96 C ATOM 3103 CE LYS B 90 -1.730 14.563 6.093 1.00 1.48 C ATOM 3104 NZ LYS B 90 -2.543 15.400 7.025 1.00 2.03 N ATOM 0 H LYS B 90 1.442 15.882 3.847 1.00 0.58 H new ATOM 0 HA LYS B 90 0.326 15.217 1.248 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -1.845 15.839 2.341 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -0.978 14.499 3.064 1.00 0.59 H new ATOM 0 HG2 LYS B 90 -0.459 17.170 4.290 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -2.090 16.557 4.475 1.00 0.66 H new ATOM 0 HD2 LYS B 90 0.163 14.653 5.071 1.00 0.96 H new ATOM 0 HD3 LYS B 90 -0.097 15.961 6.208 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -2.376 14.161 5.312 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -1.320 13.712 6.637 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -3.530 15.073 7.014 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 -2.162 15.316 7.989 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -2.504 16.394 6.722 1.00 2.03 H new ATOM 3118 N LYS B 91 0.724 18.344 2.267 1.00 0.55 N ATOM 3119 CA LYS B 91 0.761 19.756 1.874 1.00 0.59 C ATOM 3120 C LYS B 91 2.140 20.345 2.269 1.00 0.62 C ATOM 3121 O LYS B 91 2.226 21.247 3.104 1.00 0.69 O ATOM 3122 CB LYS B 91 -0.395 20.532 2.551 1.00 0.64 C ATOM 3123 CG LYS B 91 -1.798 20.036 2.183 1.00 0.74 C ATOM 3124 CD LYS B 91 -2.889 20.885 2.844 1.00 0.84 C ATOM 3125 CE LYS B 91 -4.297 20.486 2.401 1.00 1.14 C ATOM 3126 NZ LYS B 91 -4.604 20.923 1.003 1.00 1.36 N ATOM 0 H LYS B 91 1.132 18.168 3.185 1.00 0.55 H new ATOM 0 HA LYS B 91 0.629 19.848 0.796 1.00 0.59 H new ATOM 0 HB2 LYS B 91 -0.273 20.468 3.632 1.00 0.64 H new ATOM 0 HB3 LYS B 91 -0.314 21.585 2.283 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -1.921 20.063 1.100 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -1.909 18.996 2.491 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.812 20.789 3.927 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -2.721 21.935 2.605 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -4.403 19.403 2.471 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -5.026 20.923 3.083 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -5.528 20.542 0.715 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -4.630 21.962 0.962 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -3.868 20.569 0.359 1.00 1.36 H new ATOM 3140 N ASP B 92 3.225 19.805 1.655 1.00 0.66 N ATOM 3141 CA ASP B 92 4.623 20.230 1.951 1.00 0.74 C ATOM 3142 C ASP B 92 4.878 21.734 1.686 1.00 0.92 C ATOM 3143 O ASP B 92 5.689 22.352 2.385 1.00 1.72 O ATOM 3144 CB ASP B 92 5.649 19.368 1.169 1.00 0.75 C ATOM 3145 CG ASP B 92 5.500 19.451 -0.348 1.00 0.88 C ATOM 3146 OD1 ASP B 92 4.668 18.703 -0.904 1.00 0.93 O ATOM 3147 OD2 ASP B 92 6.218 20.261 -0.974 1.00 1.15 O ATOM 0 H ASP B 92 3.160 19.072 0.949 1.00 0.66 H new ATOM 0 HA ASP B 92 4.760 20.070 3.020 1.00 0.74 H new ATOM 0 HB2 ASP B 92 6.656 19.682 1.443 1.00 0.75 H new ATOM 0 HB3 ASP B 92 5.545 18.328 1.478 1.00 0.75 H new ATOM 3152 N LEU B 93 4.192 22.306 0.680 1.00 0.63 N ATOM 3153 CA LEU B 93 4.350 23.732 0.323 1.00 0.66 C ATOM 3154 C LEU B 93 3.664 24.668 1.345 1.00 0.69 C ATOM 3155 O LEU B 93 4.186 25.748 1.643 1.00 0.82 O ATOM 3156 CB LEU B 93 3.775 23.988 -1.088 1.00 0.71 C ATOM 3157 CG LEU B 93 4.305 25.240 -1.823 1.00 0.97 C ATOM 3158 CD1 LEU B 93 5.648 24.947 -2.503 1.00 1.27 C ATOM 3159 CD2 LEU B 93 3.273 25.744 -2.840 1.00 1.18 C ATOM 0 H LEU B 93 3.522 21.804 0.098 1.00 0.63 H new ATOM 0 HA LEU B 93 5.417 23.956 0.336 1.00 0.66 H new ATOM 0 HB2 LEU B 93 3.982 23.114 -1.706 1.00 0.71 H new ATOM 0 HB3 LEU B 93 2.691 24.071 -1.007 1.00 0.71 H new ATOM 0 HG LEU B 93 4.469 26.026 -1.086 1.00 0.97 H new ATOM 0 HD11 LEU B 93 6.000 25.843 -3.014 1.00 1.27 H new ATOM 0 HD12 LEU B 93 6.378 24.646 -1.752 1.00 1.27 H new ATOM 0 HD13 LEU B 93 5.521 24.143 -3.228 1.00 1.27 H new ATOM 0 HD21 LEU B 93 3.663 26.626 -3.348 1.00 1.18 H new ATOM 0 HD22 LEU B 93 3.072 24.962 -3.573 1.00 1.18 H new ATOM 0 HD23 LEU B 93 2.349 26.002 -2.323 1.00 1.18 H new ATOM 3171 N LYS B 94 2.499 24.243 1.872 1.00 0.66 N ATOM 3172 CA LYS B 94 1.727 25.037 2.846 1.00 0.74 C ATOM 3173 C LYS B 94 2.230 24.830 4.291 1.00 0.70 C ATOM 3174 O LYS B 94 2.326 25.795 5.056 1.00 0.79 O ATOM 3175 CB LYS B 94 0.226 24.661 2.740 1.00 0.84 C ATOM 3176 CG LYS B 94 -0.727 25.512 3.590 1.00 1.00 C ATOM 3177 CD LYS B 94 -0.871 26.949 3.063 1.00 1.15 C ATOM 3178 CE LYS B 94 -1.049 27.966 4.190 1.00 1.45 C ATOM 3179 NZ LYS B 94 0.199 28.150 4.997 1.00 1.61 N ATOM 0 H LYS B 94 2.070 23.348 1.637 1.00 0.66 H new ATOM 0 HA LYS B 94 1.864 26.092 2.607 1.00 0.74 H new ATOM 0 HB2 LYS B 94 -0.078 24.739 1.696 1.00 0.84 H new ATOM 0 HB3 LYS B 94 0.109 23.617 3.029 1.00 0.84 H new ATOM 0 HG2 LYS B 94 -1.708 25.038 3.613 1.00 1.00 H new ATOM 0 HG3 LYS B 94 -0.363 25.541 4.617 1.00 1.00 H new ATOM 0 HD2 LYS B 94 0.011 27.209 2.478 1.00 1.15 H new ATOM 0 HD3 LYS B 94 -1.727 27.003 2.390 1.00 1.15 H new ATOM 0 HE2 LYS B 94 -1.349 28.925 3.766 1.00 1.45 H new ATOM 0 HE3 LYS B 94 -1.857 27.640 4.845 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 -0.049 28.250 6.002 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 0.817 27.323 4.874 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 0.697 29.005 4.676 1.00 1.61 H new ATOM 3193 N ILE B 95 2.539 23.568 4.658 1.00 0.65 N ATOM 3194 CA ILE B 95 3.008 23.221 6.017 1.00 0.66 C ATOM 3195 C ILE B 95 4.206 22.251 5.968 1.00 0.68 C ATOM 3196 O ILE B 95 4.395 21.541 4.977 1.00 0.78 O ATOM 3197 CB ILE B 95 1.846 22.607 6.875 1.00 0.74 C ATOM 3198 CG1 ILE B 95 1.113 21.467 6.110 1.00 0.83 C ATOM 3199 CG2 ILE B 95 0.857 23.711 7.284 1.00 0.84 C ATOM 3200 CD1 ILE B 95 0.134 20.661 6.949 1.00 1.04 C ATOM 0 H ILE B 95 2.472 22.768 4.028 1.00 0.65 H new ATOM 0 HA ILE B 95 3.338 24.145 6.492 1.00 0.66 H new ATOM 0 HB ILE B 95 2.281 22.169 7.773 1.00 0.74 H new ATOM 0 HG12 ILE B 95 0.575 21.902 5.267 1.00 0.83 H new ATOM 0 HG13 ILE B 95 1.859 20.789 5.696 1.00 0.83 H new ATOM 0 HG21 ILE B 95 0.053 23.277 7.879 1.00 0.84 H new ATOM 0 HG22 ILE B 95 1.378 24.466 7.873 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.438 24.173 6.390 1.00 0.84 H new ATOM 0 HD11 ILE B 95 -0.327 19.891 6.331 1.00 1.04 H new ATOM 0 HD12 ILE B 95 0.665 20.192 7.777 1.00 1.04 H new ATOM 0 HD13 ILE B 95 -0.639 21.322 7.342 1.00 1.04 H new ATOM 3212 N ARG B 96 5.016 22.224 7.053 1.00 0.70 N ATOM 3213 CA ARG B 96 6.202 21.346 7.122 1.00 0.79 C ATOM 3214 C ARG B 96 6.516 20.870 8.564 1.00 0.79 C ATOM 3215 O ARG B 96 7.682 20.860 8.975 1.00 1.02 O ATOM 3216 CB ARG B 96 7.430 22.057 6.491 1.00 0.99 C ATOM 3217 CG ARG B 96 7.800 23.409 7.124 1.00 1.12 C ATOM 3218 CD ARG B 96 9.244 23.815 6.813 1.00 1.41 C ATOM 3219 NE ARG B 96 10.228 22.968 7.522 1.00 1.59 N ATOM 3220 CZ ARG B 96 11.441 22.594 7.053 1.00 2.01 C ATOM 3221 NH1 ARG B 96 11.895 22.993 5.856 1.00 2.42 N ATOM 3222 NH2 ARG B 96 12.215 21.812 7.811 1.00 2.37 N ATOM 0 H ARG B 96 4.869 22.796 7.885 1.00 0.70 H new ATOM 0 HA ARG B 96 5.973 20.448 6.548 1.00 0.79 H new ATOM 0 HB2 ARG B 96 8.291 21.392 6.563 1.00 0.99 H new ATOM 0 HB3 ARG B 96 7.234 22.212 5.430 1.00 0.99 H new ATOM 0 HG2 ARG B 96 7.121 24.178 6.757 1.00 1.12 H new ATOM 0 HG3 ARG B 96 7.664 23.352 8.204 1.00 1.12 H new ATOM 0 HD2 ARG B 96 9.415 23.746 5.739 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.395 24.857 7.094 1.00 1.41 H new ATOM 0 HE ARG B 96 9.968 22.635 8.450 1.00 1.59 H new ATOM 0 HH11 ARG B 96 11.321 23.597 5.268 1.00 2.42 H new ATOM 0 HH12 ARG B 96 12.815 22.692 5.533 1.00 2.42 H new ATOM 0 HH21 ARG B 96 11.889 21.506 8.728 1.00 2.37 H new ATOM 0 HH22 ARG B 96 13.132 21.521 7.473 1.00 2.37 H new ATOM 3236 N LYS B 97 5.471 20.486 9.336 1.00 0.72 N ATOM 3237 CA LYS B 97 5.653 19.976 10.721 1.00 0.76 C ATOM 3238 C LYS B 97 4.316 19.542 11.349 1.00 0.76 C ATOM 3239 O LYS B 97 3.419 20.369 11.557 1.00 1.04 O ATOM 3240 CB LYS B 97 6.382 20.990 11.648 1.00 0.89 C ATOM 3241 CG LYS B 97 5.859 22.432 11.599 1.00 0.94 C ATOM 3242 CD LYS B 97 6.803 23.393 12.331 1.00 1.16 C ATOM 3243 CE LYS B 97 6.376 24.853 12.195 1.00 1.49 C ATOM 3244 NZ LYS B 97 5.111 25.152 12.929 1.00 1.86 N ATOM 0 H LYS B 97 4.499 20.518 9.028 1.00 0.72 H new ATOM 0 HA LYS B 97 6.295 19.100 10.632 1.00 0.76 H new ATOM 0 HB2 LYS B 97 6.310 20.632 12.675 1.00 0.89 H new ATOM 0 HB3 LYS B 97 7.440 20.998 11.386 1.00 0.89 H new ATOM 0 HG2 LYS B 97 5.750 22.746 10.561 1.00 0.94 H new ATOM 0 HG3 LYS B 97 4.868 22.477 12.051 1.00 0.94 H new ATOM 0 HD2 LYS B 97 6.840 23.126 13.387 1.00 1.16 H new ATOM 0 HD3 LYS B 97 7.812 23.275 11.937 1.00 1.16 H new ATOM 0 HE2 LYS B 97 7.171 25.497 12.571 1.00 1.49 H new ATOM 0 HE3 LYS B 97 6.245 25.093 11.140 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 4.866 26.155 12.804 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.343 24.559 12.554 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 5.241 24.951 13.941 1.00 1.86 H new ATOM 3258 N LYS B 98 4.189 18.226 11.636 1.00 0.71 N ATOM 3259 CA LYS B 98 2.977 17.660 12.257 1.00 0.74 C ATOM 3260 C LYS B 98 3.328 16.430 13.113 1.00 0.90 C ATOM 3261 O LYS B 98 3.359 16.567 14.355 1.00 1.07 O ATOM 3262 CB LYS B 98 1.926 17.295 11.177 1.00 0.96 C ATOM 3263 CG LYS B 98 0.513 17.070 11.727 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.431 16.469 10.678 1.00 1.52 C ATOM 3265 CE LYS B 98 -1.879 16.387 11.174 1.00 1.69 C ATOM 3266 NZ LYS B 98 -2.578 17.708 11.108 1.00 1.85 N ATOM 3267 OXT LYS B 98 3.576 15.346 12.537 1.00 1.15 O ATOM 0 H LYS B 98 4.916 17.537 11.445 1.00 0.71 H new ATOM 0 HA LYS B 98 2.544 18.417 12.910 1.00 0.74 H new ATOM 0 HB2 LYS B 98 1.892 18.092 10.435 1.00 0.96 H new ATOM 0 HB3 LYS B 98 2.251 16.392 10.660 1.00 0.96 H new ATOM 0 HG2 LYS B 98 0.563 16.406 12.590 1.00 1.08 H new ATOM 0 HG3 LYS B 98 0.106 18.019 12.077 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -0.394 17.073 9.771 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.084 15.471 10.410 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.425 15.659 10.574 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.889 16.024 12.202 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -3.553 17.602 11.453 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -2.074 18.398 11.701 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -2.594 18.044 10.124 1.00 1.85 H new