USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 73:sc= 0.301 USER MOD Set 2.1: A 61 GLN : amide:sc= 0.328 K(o=-5.7,f=-8.2) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -6.02! C(o=-5.7!,f=-8.5!) USER MOD Set 3.1: A 45 LYS NZ :NH3+ 178:sc= -1.14! (180deg=-1.03) USER MOD Set 3.2: A 49 GLN : amide:sc= -0.847! C(o=-2!,f=-13!) USER MOD Set 4.1: A 18 LYS NZ :NH3+ -131:sc= -3.89! (180deg=-7.28!) USER MOD Set 4.2: A 33 TYR OH : rot -11:sc= -0.767! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -2.05! (180deg=-2.21!) USER MOD Single : A 2 GLN : amide:sc= -4.1 K(o=-4.1,f=-2.7) USER MOD Single : A 3 THR OG1 : rot 176:sc= 0.948 USER MOD Single : A 9 SER OG : rot -100:sc= -1.54! USER MOD Single : A 23 LYS NZ :NH3+ -121:sc= -1.21! (180deg=-3.84!) USER MOD Single : A 25 SER OG : rot -68:sc= 0.817 USER MOD Single : A 26 ASN : amide:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 32 GLN : amide:sc= -0.508! C(o=-0.51!,f=-2.4!) USER MOD Single : A 34 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.66) USER MOD Single : A 35 TYR OH : rot 30:sc= 0.933 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 50 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.01) USER MOD Single : A 51 LYS NZ :NH3+ 143:sc= -2.59! (180deg=-6.6!) USER MOD Single : A 54 LYS NZ :NH3+ -118:sc= -1.07! (180deg=-4.87!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 66 GLN : 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 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -110:sc= -1.05! (180deg=-6.23!) USER MOD Single : A 82 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.337 -3.644 7.870 1.00 2.10 N ATOM 2 CA MET A 1 -8.147 -3.271 6.437 1.00 1.40 C ATOM 3 C MET A 1 -6.876 -3.969 5.946 1.00 1.15 C ATOM 4 O MET A 1 -6.009 -4.261 6.751 1.00 1.37 O ATOM 5 CB MET A 1 -7.967 -1.744 6.307 1.00 1.54 C ATOM 6 CG MET A 1 -8.118 -1.289 4.847 1.00 2.07 C ATOM 7 SD MET A 1 -9.776 -1.373 4.122 1.00 2.37 S ATOM 8 CE MET A 1 -10.387 0.213 4.745 1.00 1.47 C ATOM 0 H1 MET A 1 -9.288 -3.359 8.180 1.00 2.10 H new ATOM 0 H2 MET A 1 -8.232 -4.673 7.978 1.00 2.10 H new ATOM 0 H3 MET A 1 -7.624 -3.160 8.452 1.00 2.10 H new ATOM 0 HA MET A 1 -9.015 -3.571 5.850 1.00 1.40 H new ATOM 0 HB2 MET A 1 -8.704 -1.234 6.928 1.00 1.54 H new ATOM 0 HB3 MET A 1 -6.984 -1.458 6.680 1.00 1.54 H new ATOM 0 HG2 MET A 1 -7.770 -0.258 4.776 1.00 2.07 H new ATOM 0 HG3 MET A 1 -7.450 -1.894 4.234 1.00 2.07 H new ATOM 0 HE1 MET A 1 -11.413 0.365 4.409 1.00 1.47 H new ATOM 0 HE2 MET A 1 -10.359 0.211 5.835 1.00 1.47 H new ATOM 0 HE3 MET A 1 -9.758 1.019 4.367 1.00 1.47 H new ATOM 18 N GLN A 2 -6.783 -4.203 4.651 1.00 0.98 N ATOM 19 CA GLN A 2 -5.587 -4.884 4.075 1.00 0.88 C ATOM 20 C GLN A 2 -5.070 -4.110 2.849 1.00 0.81 C ATOM 21 O GLN A 2 -5.844 -3.762 1.991 1.00 1.22 O ATOM 22 CB GLN A 2 -5.982 -6.294 3.612 1.00 1.00 C ATOM 23 CG GLN A 2 -6.133 -7.251 4.806 1.00 1.65 C ATOM 24 CD GLN A 2 -7.371 -6.919 5.654 1.00 3.14 C ATOM 25 OE1 GLN A 2 -7.425 -7.230 6.824 1.00 4.06 O ATOM 26 NE2 GLN A 2 -8.403 -6.331 5.120 1.00 4.29 N ATOM 0 H GLN A 2 -7.496 -3.945 3.969 1.00 0.98 H new ATOM 0 HA GLN A 2 -4.811 -4.928 4.839 1.00 0.88 H new ATOM 0 HB2 GLN A 2 -6.920 -6.248 3.059 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -5.227 -6.679 2.927 1.00 1.00 H new ATOM 0 HG2 GLN A 2 -6.206 -8.276 4.443 1.00 1.65 H new ATOM 0 HG3 GLN A 2 -5.241 -7.197 5.430 1.00 1.65 H new ATOM 0 HE21 GLN A 2 -8.383 -6.059 4.137 1.00 4.29 H new ATOM 0 HE22 GLN A 2 -9.231 -6.142 5.685 1.00 4.29 H new ATOM 35 N THR A 3 -3.789 -3.868 2.763 1.00 0.50 N ATOM 36 CA THR A 3 -3.248 -3.138 1.561 1.00 0.48 C ATOM 37 C THR A 3 -2.195 -3.983 0.835 1.00 0.51 C ATOM 38 O THR A 3 -1.414 -4.659 1.469 1.00 0.62 O ATOM 39 CB THR A 3 -2.585 -1.838 2.016 1.00 0.58 C ATOM 40 OG1 THR A 3 -3.575 -1.172 2.773 1.00 0.60 O ATOM 41 CG2 THR A 3 -2.304 -0.902 0.835 1.00 0.74 C ATOM 0 H THR A 3 -3.095 -4.137 3.460 1.00 0.50 H new ATOM 0 HA THR A 3 -4.078 -2.936 0.884 1.00 0.48 H new ATOM 0 HB THR A 3 -1.655 -2.064 2.537 1.00 0.58 H new ATOM 0 HG1 THR A 3 -3.200 -0.349 3.150 1.00 0.60 H new ATOM 0 HG21 THR A 3 -1.833 0.011 1.199 1.00 0.74 H new ATOM 0 HG22 THR A 3 -1.638 -1.398 0.128 1.00 0.74 H new ATOM 0 HG23 THR A 3 -3.241 -0.653 0.337 1.00 0.74 H new ATOM 49 N VAL A 4 -2.187 -3.911 -0.481 1.00 0.50 N ATOM 50 CA VAL A 4 -1.178 -4.680 -1.293 1.00 0.58 C ATOM 51 C VAL A 4 -0.340 -3.680 -2.097 1.00 0.53 C ATOM 52 O VAL A 4 -0.892 -2.817 -2.775 1.00 0.54 O ATOM 53 CB VAL A 4 -1.898 -5.641 -2.257 1.00 0.71 C ATOM 54 CG1 VAL A 4 -0.859 -6.399 -3.101 1.00 1.02 C ATOM 55 CG2 VAL A 4 -2.724 -6.661 -1.457 1.00 0.70 C ATOM 0 H VAL A 4 -2.839 -3.350 -1.030 1.00 0.50 H new ATOM 0 HA VAL A 4 -0.538 -5.264 -0.631 1.00 0.58 H new ATOM 0 HB VAL A 4 -2.556 -5.063 -2.906 1.00 0.71 H new ATOM 0 HG11 VAL A 4 -1.370 -7.079 -3.783 1.00 1.02 H new ATOM 0 HG12 VAL A 4 -0.267 -5.686 -3.675 1.00 1.02 H new ATOM 0 HG13 VAL A 4 -0.203 -6.970 -2.444 1.00 1.02 H new ATOM 0 HG21 VAL A 4 -3.231 -7.338 -2.145 1.00 0.70 H new ATOM 0 HG22 VAL A 4 -2.064 -7.233 -0.805 1.00 0.70 H new ATOM 0 HG23 VAL A 4 -3.464 -6.136 -0.853 1.00 0.70 H new ATOM 65 N ILE A 5 0.957 -3.807 -1.958 1.00 0.49 N ATOM 66 CA ILE A 5 1.898 -2.906 -2.677 1.00 0.43 C ATOM 67 C ILE A 5 2.747 -3.748 -3.629 1.00 0.39 C ATOM 68 O ILE A 5 3.570 -4.523 -3.183 1.00 0.47 O ATOM 69 CB ILE A 5 2.817 -2.220 -1.645 1.00 0.46 C ATOM 70 CG1 ILE A 5 1.994 -1.672 -0.460 1.00 0.59 C ATOM 71 CG2 ILE A 5 3.605 -1.077 -2.315 1.00 0.46 C ATOM 72 CD1 ILE A 5 0.972 -0.633 -0.933 1.00 1.81 C ATOM 0 H ILE A 5 1.405 -4.508 -1.368 1.00 0.49 H new ATOM 0 HA ILE A 5 1.348 -2.151 -3.238 1.00 0.43 H new ATOM 0 HB ILE A 5 3.519 -2.961 -1.263 1.00 0.46 H new ATOM 0 HG12 ILE A 5 1.479 -2.492 0.039 1.00 0.59 H new ATOM 0 HG13 ILE A 5 2.662 -1.222 0.274 1.00 0.59 H new ATOM 0 HG21 ILE A 5 4.251 -0.599 -1.578 1.00 0.46 H new ATOM 0 HG22 ILE A 5 4.214 -1.480 -3.124 1.00 0.46 H new ATOM 0 HG23 ILE A 5 2.908 -0.342 -2.718 1.00 0.46 H new ATOM 0 HD11 ILE A 5 0.406 -0.264 -0.078 1.00 1.81 H new ATOM 0 HD12 ILE A 5 1.492 0.198 -1.410 1.00 1.81 H new ATOM 0 HD13 ILE A 5 0.290 -1.093 -1.648 1.00 1.81 H new ATOM 84 N PHE A 6 2.507 -3.600 -4.902 1.00 0.38 N ATOM 85 CA PHE A 6 3.286 -4.365 -5.923 1.00 0.39 C ATOM 86 C PHE A 6 4.544 -3.555 -6.269 1.00 0.43 C ATOM 87 O PHE A 6 4.443 -2.611 -7.022 1.00 0.56 O ATOM 88 CB PHE A 6 2.440 -4.509 -7.201 1.00 0.49 C ATOM 89 CG PHE A 6 1.166 -5.336 -6.977 1.00 0.58 C ATOM 90 CD1 PHE A 6 1.198 -6.711 -7.098 1.00 0.61 C ATOM 91 CD2 PHE A 6 -0.048 -4.714 -6.739 1.00 1.12 C ATOM 92 CE1 PHE A 6 0.038 -7.453 -6.992 1.00 0.71 C ATOM 93 CE2 PHE A 6 -1.210 -5.456 -6.634 1.00 1.35 C ATOM 94 CZ PHE A 6 -1.167 -6.826 -6.761 1.00 1.01 C ATOM 0 H PHE A 6 1.797 -2.976 -5.285 1.00 0.38 H new ATOM 0 HA PHE A 6 3.548 -5.349 -5.535 1.00 0.39 H new ATOM 0 HB2 PHE A 6 2.166 -3.518 -7.564 1.00 0.49 H new ATOM 0 HB3 PHE A 6 3.041 -4.979 -7.979 1.00 0.49 H new ATOM 0 HD1 PHE A 6 2.139 -7.211 -7.277 1.00 0.61 H new ATOM 0 HD2 PHE A 6 -0.088 -3.640 -6.634 1.00 1.12 H new ATOM 0 HE1 PHE A 6 0.076 -8.528 -7.090 1.00 0.71 H new ATOM 0 HE2 PHE A 6 -2.152 -4.960 -6.452 1.00 1.35 H new ATOM 0 HZ PHE A 6 -2.074 -7.407 -6.680 1.00 1.01 H new ATOM 104 N GLY A 7 5.669 -3.908 -5.704 1.00 0.52 N ATOM 105 CA GLY A 7 6.933 -3.151 -5.992 1.00 0.61 C ATOM 106 C GLY A 7 7.947 -4.096 -6.630 1.00 0.80 C ATOM 107 O GLY A 7 7.580 -5.178 -7.046 1.00 0.99 O ATOM 0 H GLY A 7 5.772 -4.688 -5.054 1.00 0.52 H new ATOM 0 HA2 GLY A 7 6.726 -2.315 -6.660 1.00 0.61 H new ATOM 0 HA3 GLY A 7 7.338 -2.731 -5.071 1.00 0.61 H new ATOM 111 N ARG A 8 9.198 -3.694 -6.716 1.00 0.96 N ATOM 112 CA ARG A 8 10.207 -4.628 -7.335 1.00 1.36 C ATOM 113 C ARG A 8 11.331 -5.003 -6.349 1.00 1.78 C ATOM 114 O ARG A 8 12.483 -5.119 -6.737 1.00 2.99 O ATOM 115 CB ARG A 8 10.791 -4.015 -8.632 1.00 1.52 C ATOM 116 CG ARG A 8 11.307 -2.591 -8.397 1.00 2.13 C ATOM 117 CD ARG A 8 11.951 -2.051 -9.685 1.00 2.93 C ATOM 118 NE ARG A 8 13.336 -2.616 -9.843 1.00 3.32 N ATOM 119 CZ ARG A 8 14.296 -1.870 -10.306 1.00 4.66 C ATOM 120 NH1 ARG A 8 14.413 -1.753 -11.591 1.00 5.61 N ATOM 121 NH2 ARG A 8 15.097 -1.269 -9.476 1.00 5.54 N ATOM 0 H ARG A 8 9.557 -2.794 -6.398 1.00 0.96 H new ATOM 0 HA ARG A 8 9.685 -5.550 -7.589 1.00 1.36 H new ATOM 0 HB2 ARG A 8 11.604 -4.642 -8.998 1.00 1.52 H new ATOM 0 HB3 ARG A 8 10.025 -4.002 -9.407 1.00 1.52 H new ATOM 0 HG2 ARG A 8 10.486 -1.943 -8.091 1.00 2.13 H new ATOM 0 HG3 ARG A 8 12.035 -2.588 -7.586 1.00 2.13 H new ATOM 0 HD2 ARG A 8 11.340 -2.318 -10.547 1.00 2.93 H new ATOM 0 HD3 ARG A 8 11.995 -0.962 -9.651 1.00 2.93 H new ATOM 0 HE ARG A 8 13.523 -3.585 -9.587 1.00 3.32 H new ATOM 0 HH11 ARG A 8 13.763 -2.239 -12.209 1.00 5.61 H new ATOM 0 HH12 ARG A 8 15.156 -1.175 -11.985 1.00 5.61 H new ATOM 0 HH21 ARG A 8 14.970 -1.384 -8.471 1.00 5.54 H new ATOM 0 HH22 ARG A 8 15.852 -0.682 -9.831 1.00 5.54 H new ATOM 135 N SER A 9 10.934 -5.163 -5.098 1.00 1.92 N ATOM 136 CA SER A 9 11.853 -5.583 -3.968 1.00 2.44 C ATOM 137 C SER A 9 12.671 -4.455 -3.303 1.00 2.57 C ATOM 138 O SER A 9 13.867 -4.592 -3.130 1.00 2.98 O ATOM 139 CB SER A 9 12.822 -6.687 -4.434 1.00 2.75 C ATOM 140 OG SER A 9 11.990 -7.771 -4.851 1.00 3.53 O ATOM 0 H SER A 9 9.970 -5.013 -4.801 1.00 1.92 H new ATOM 0 HA SER A 9 11.167 -5.945 -3.202 1.00 2.44 H new ATOM 0 HB2 SER A 9 13.451 -6.337 -5.252 1.00 2.75 H new ATOM 0 HB3 SER A 9 13.488 -6.991 -3.627 1.00 2.75 H new ATOM 0 HG SER A 9 11.950 -8.445 -4.141 1.00 3.53 H new ATOM 146 N GLY A 10 12.030 -3.392 -2.885 1.00 3.09 N ATOM 147 CA GLY A 10 12.799 -2.300 -2.192 1.00 3.78 C ATOM 148 C GLY A 10 13.492 -1.323 -3.144 1.00 3.16 C ATOM 149 O GLY A 10 14.706 -1.260 -3.189 1.00 3.68 O ATOM 0 H GLY A 10 11.028 -3.230 -2.988 1.00 3.09 H new ATOM 0 HA2 GLY A 10 12.118 -1.743 -1.549 1.00 3.78 H new ATOM 0 HA3 GLY A 10 13.549 -2.753 -1.544 1.00 3.78 H new ATOM 153 N CYS A 11 12.726 -0.556 -3.864 1.00 2.38 N ATOM 154 CA CYS A 11 13.349 0.428 -4.804 1.00 2.09 C ATOM 155 C CYS A 11 13.097 1.857 -4.306 1.00 1.84 C ATOM 156 O CYS A 11 12.180 2.089 -3.544 1.00 2.16 O ATOM 157 CB CYS A 11 12.704 0.225 -6.173 1.00 1.78 C ATOM 158 SG CYS A 11 11.241 -0.838 -6.211 1.00 1.53 S ATOM 0 H CYS A 11 11.706 -0.563 -3.847 1.00 2.38 H new ATOM 0 HA CYS A 11 14.427 0.276 -4.864 1.00 2.09 H new ATOM 0 HB2 CYS A 11 12.429 1.202 -6.572 1.00 1.78 H new ATOM 0 HB3 CYS A 11 13.451 -0.195 -6.846 1.00 1.78 H new ATOM 163 N PRO A 12 13.903 2.806 -4.748 1.00 1.79 N ATOM 164 CA PRO A 12 13.490 4.226 -4.758 1.00 1.97 C ATOM 165 C PRO A 12 12.029 4.343 -5.193 1.00 2.10 C ATOM 166 O PRO A 12 11.592 3.590 -6.039 1.00 3.66 O ATOM 167 CB PRO A 12 14.455 4.865 -5.754 1.00 2.59 C ATOM 168 CG PRO A 12 15.733 4.000 -5.689 1.00 2.56 C ATOM 169 CD PRO A 12 15.265 2.581 -5.299 1.00 2.34 C ATOM 0 HA PRO A 12 13.536 4.713 -3.784 1.00 1.97 H new ATOM 0 HB2 PRO A 12 14.035 4.873 -6.760 1.00 2.59 H new ATOM 0 HB3 PRO A 12 14.666 5.901 -5.489 1.00 2.59 H new ATOM 0 HG2 PRO A 12 16.248 3.991 -6.650 1.00 2.56 H new ATOM 0 HG3 PRO A 12 16.435 4.395 -4.955 1.00 2.56 H new ATOM 0 HD2 PRO A 12 15.245 1.914 -6.161 1.00 2.34 H new ATOM 0 HD3 PRO A 12 15.927 2.128 -4.561 1.00 2.34 H new ATOM 177 N TYR A 13 11.317 5.276 -4.619 1.00 1.59 N ATOM 178 CA TYR A 13 9.861 5.456 -4.958 1.00 1.51 C ATOM 179 C TYR A 13 9.077 4.353 -4.234 1.00 1.30 C ATOM 180 O TYR A 13 8.258 4.625 -3.378 1.00 1.47 O ATOM 181 CB TYR A 13 9.626 5.346 -6.482 1.00 1.67 C ATOM 182 CG TYR A 13 8.418 6.192 -6.935 1.00 1.47 C ATOM 183 CD1 TYR A 13 7.166 6.049 -6.355 1.00 1.63 C ATOM 184 CD2 TYR A 13 8.565 7.090 -7.974 1.00 2.29 C ATOM 185 CE1 TYR A 13 6.089 6.790 -6.815 1.00 2.09 C ATOM 186 CE2 TYR A 13 7.491 7.831 -8.426 1.00 2.76 C ATOM 187 CZ TYR A 13 6.246 7.689 -7.855 1.00 2.50 C ATOM 188 OH TYR A 13 5.184 8.443 -8.323 1.00 3.27 O ATOM 0 H TYR A 13 11.678 5.929 -3.924 1.00 1.59 H new ATOM 0 HA TYR A 13 9.530 6.446 -4.644 1.00 1.51 H new ATOM 0 HB2 TYR A 13 10.520 5.674 -7.013 1.00 1.67 H new ATOM 0 HB3 TYR A 13 9.461 4.303 -6.751 1.00 1.67 H new ATOM 0 HD1 TYR A 13 7.030 5.355 -5.539 1.00 1.63 H new ATOM 0 HD2 TYR A 13 9.532 7.214 -8.439 1.00 2.29 H new ATOM 0 HE1 TYR A 13 5.119 6.665 -6.358 1.00 2.09 H new ATOM 0 HE2 TYR A 13 7.629 8.530 -9.237 1.00 2.76 H new ATOM 0 HH TYR A 13 5.489 9.018 -9.056 1.00 3.27 H new ATOM 198 N CYS A 14 9.417 3.120 -4.547 1.00 1.10 N ATOM 199 CA CYS A 14 8.732 1.954 -3.919 1.00 0.98 C ATOM 200 C CYS A 14 8.786 2.072 -2.407 1.00 0.92 C ATOM 201 O CYS A 14 7.795 1.845 -1.749 1.00 0.89 O ATOM 202 CB CYS A 14 9.410 0.657 -4.361 1.00 1.01 C ATOM 203 SG CYS A 14 9.670 0.420 -6.132 1.00 1.73 S ATOM 0 H CYS A 14 10.147 2.877 -5.217 1.00 1.10 H new ATOM 0 HA CYS A 14 7.689 1.941 -4.237 1.00 0.98 H new ATOM 0 HB2 CYS A 14 10.380 0.598 -3.867 1.00 1.01 H new ATOM 0 HB3 CYS A 14 8.813 -0.178 -3.993 1.00 1.01 H new ATOM 208 N VAL A 15 9.951 2.372 -1.876 1.00 0.97 N ATOM 209 CA VAL A 15 10.048 2.533 -0.392 1.00 1.05 C ATOM 210 C VAL A 15 8.923 3.461 0.057 1.00 0.93 C ATOM 211 O VAL A 15 8.287 3.214 1.068 1.00 0.99 O ATOM 212 CB VAL A 15 11.404 3.135 0.012 1.00 1.36 C ATOM 213 CG1 VAL A 15 11.441 3.339 1.536 1.00 1.57 C ATOM 214 CG2 VAL A 15 12.520 2.157 -0.367 1.00 1.61 C ATOM 0 H VAL A 15 10.819 2.509 -2.394 1.00 0.97 H new ATOM 0 HA VAL A 15 9.961 1.556 0.084 1.00 1.05 H new ATOM 0 HB VAL A 15 11.541 4.088 -0.499 1.00 1.36 H new ATOM 0 HG11 VAL A 15 12.402 3.766 1.823 1.00 1.57 H new ATOM 0 HG12 VAL A 15 10.640 4.017 1.832 1.00 1.57 H new ATOM 0 HG13 VAL A 15 11.307 2.379 2.035 1.00 1.57 H new ATOM 0 HG21 VAL A 15 13.485 2.578 -0.083 1.00 1.61 H new ATOM 0 HG22 VAL A 15 12.369 1.212 0.155 1.00 1.61 H new ATOM 0 HG23 VAL A 15 12.502 1.984 -1.443 1.00 1.61 H new ATOM 224 N ARG A 16 8.698 4.503 -0.720 1.00 0.89 N ATOM 225 CA ARG A 16 7.619 5.473 -0.376 1.00 1.01 C ATOM 226 C ARG A 16 6.289 4.816 -0.699 1.00 1.31 C ATOM 227 O ARG A 16 5.717 4.999 -1.749 1.00 3.16 O ATOM 228 CB ARG A 16 7.756 6.783 -1.161 1.00 1.07 C ATOM 229 CG ARG A 16 8.923 7.625 -0.605 1.00 1.32 C ATOM 230 CD ARG A 16 8.655 8.011 0.864 1.00 1.78 C ATOM 231 NE ARG A 16 9.313 7.021 1.774 1.00 2.18 N ATOM 232 CZ ARG A 16 10.160 7.440 2.667 1.00 3.19 C ATOM 233 NH1 ARG A 16 11.359 7.771 2.284 1.00 4.41 N ATOM 234 NH2 ARG A 16 9.768 7.523 3.901 1.00 3.79 N ATOM 0 H ARG A 16 9.217 4.716 -1.572 1.00 0.89 H new ATOM 0 HA ARG A 16 7.689 5.726 0.682 1.00 1.01 H new ATOM 0 HB2 ARG A 16 7.926 6.566 -2.216 1.00 1.07 H new ATOM 0 HB3 ARG A 16 6.828 7.351 -1.098 1.00 1.07 H new ATOM 0 HG2 ARG A 16 9.853 7.061 -0.676 1.00 1.32 H new ATOM 0 HG3 ARG A 16 9.050 8.525 -1.207 1.00 1.32 H new ATOM 0 HD2 ARG A 16 9.038 9.012 1.063 1.00 1.78 H new ATOM 0 HD3 ARG A 16 7.582 8.036 1.053 1.00 1.78 H new ATOM 0 HE ARG A 16 9.099 6.027 1.694 1.00 2.18 H new ATOM 0 HH11 ARG A 16 11.618 7.699 1.300 1.00 4.41 H new ATOM 0 HH12 ARG A 16 12.040 8.102 2.968 1.00 4.41 H new ATOM 0 HH21 ARG A 16 8.814 7.262 4.152 1.00 3.79 H new ATOM 0 HH22 ARG A 16 10.414 7.849 4.620 1.00 3.79 H new ATOM 248 N ALA A 17 5.885 4.041 0.246 1.00 1.01 N ATOM 249 CA ALA A 17 4.618 3.261 0.189 1.00 0.76 C ATOM 250 C ALA A 17 4.632 2.375 1.422 1.00 0.75 C ATOM 251 O ALA A 17 3.725 2.414 2.224 1.00 0.76 O ATOM 252 CB ALA A 17 4.553 2.381 -1.071 1.00 0.78 C ATOM 0 H ALA A 17 6.408 3.903 1.111 1.00 1.01 H new ATOM 0 HA ALA A 17 3.756 3.927 0.156 1.00 0.76 H new ATOM 0 HB1 ALA A 17 3.615 1.826 -1.079 1.00 0.78 H new ATOM 0 HB2 ALA A 17 4.610 3.011 -1.958 1.00 0.78 H new ATOM 0 HB3 ALA A 17 5.389 1.681 -1.069 1.00 0.78 H new ATOM 258 N LYS A 18 5.713 1.656 1.580 1.00 0.80 N ATOM 259 CA LYS A 18 5.850 0.761 2.745 1.00 0.83 C ATOM 260 C LYS A 18 5.993 1.652 3.977 1.00 0.83 C ATOM 261 O LYS A 18 5.316 1.457 4.968 1.00 0.96 O ATOM 262 CB LYS A 18 7.099 -0.107 2.518 1.00 0.83 C ATOM 263 CG LYS A 18 7.275 -1.115 3.667 1.00 0.93 C ATOM 264 CD LYS A 18 7.934 -0.411 4.858 1.00 1.61 C ATOM 265 CE LYS A 18 8.490 -1.441 5.859 1.00 1.73 C ATOM 266 NZ LYS A 18 7.416 -2.166 6.612 1.00 2.72 N ATOM 0 H LYS A 18 6.508 1.657 0.941 1.00 0.80 H new ATOM 0 HA LYS A 18 4.993 0.102 2.883 1.00 0.83 H new ATOM 0 HB2 LYS A 18 7.011 -0.639 1.571 1.00 0.83 H new ATOM 0 HB3 LYS A 18 7.982 0.528 2.446 1.00 0.83 H new ATOM 0 HG2 LYS A 18 6.308 -1.523 3.960 1.00 0.93 H new ATOM 0 HG3 LYS A 18 7.889 -1.954 3.340 1.00 0.93 H new ATOM 0 HD2 LYS A 18 8.740 0.233 4.506 1.00 1.61 H new ATOM 0 HD3 LYS A 18 7.207 0.231 5.355 1.00 1.61 H new ATOM 0 HE2 LYS A 18 9.103 -2.166 5.323 1.00 1.73 H new ATOM 0 HE3 LYS A 18 9.144 -0.934 6.568 1.00 1.73 H new ATOM 0 HZ1 LYS A 18 7.633 -2.149 7.629 1.00 2.72 H new ATOM 0 HZ2 LYS A 18 6.501 -1.701 6.445 1.00 2.72 H new ATOM 0 HZ3 LYS A 18 7.368 -3.152 6.285 1.00 2.72 H new ATOM 280 N ASP A 19 6.850 2.639 3.878 1.00 0.75 N ATOM 281 CA ASP A 19 7.051 3.569 5.028 1.00 0.82 C ATOM 282 C ASP A 19 5.700 4.160 5.424 1.00 0.86 C ATOM 283 O ASP A 19 5.443 4.428 6.589 1.00 1.18 O ATOM 284 CB ASP A 19 7.990 4.696 4.607 1.00 0.84 C ATOM 285 CG ASP A 19 7.254 5.607 3.625 1.00 2.18 C ATOM 286 OD1 ASP A 19 6.850 5.087 2.607 1.00 3.17 O ATOM 287 OD2 ASP A 19 7.113 6.763 3.971 1.00 3.41 O ATOM 0 H ASP A 19 7.416 2.839 3.053 1.00 0.75 H new ATOM 0 HA ASP A 19 7.484 3.031 5.871 1.00 0.82 H new ATOM 0 HB2 ASP A 19 8.313 5.264 5.479 1.00 0.84 H new ATOM 0 HB3 ASP A 19 8.887 4.287 4.143 1.00 0.84 H new ATOM 292 N LEU A 20 4.883 4.430 4.438 1.00 0.67 N ATOM 293 CA LEU A 20 3.542 4.985 4.765 1.00 0.71 C ATOM 294 C LEU A 20 2.709 3.887 5.427 1.00 0.73 C ATOM 295 O LEU A 20 2.296 4.056 6.557 1.00 0.84 O ATOM 296 CB LEU A 20 2.845 5.495 3.493 1.00 0.72 C ATOM 297 CG LEU A 20 1.532 6.226 3.841 1.00 0.91 C ATOM 298 CD1 LEU A 20 1.776 7.354 4.864 1.00 1.18 C ATOM 299 CD2 LEU A 20 0.949 6.843 2.561 1.00 0.89 C ATOM 0 H LEU A 20 5.081 4.294 3.447 1.00 0.67 H new ATOM 0 HA LEU A 20 3.649 5.828 5.447 1.00 0.71 H new ATOM 0 HB2 LEU A 20 3.510 6.170 2.955 1.00 0.72 H new ATOM 0 HB3 LEU A 20 2.635 4.657 2.828 1.00 0.72 H new ATOM 0 HG LEU A 20 0.841 5.503 4.275 1.00 0.91 H new ATOM 0 HD11 LEU A 20 0.832 7.851 5.090 1.00 1.18 H new ATOM 0 HD12 LEU A 20 2.192 6.932 5.779 1.00 1.18 H new ATOM 0 HD13 LEU A 20 2.477 8.078 4.447 1.00 1.18 H new ATOM 0 HD21 LEU A 20 0.020 7.362 2.798 1.00 0.89 H new ATOM 0 HD22 LEU A 20 1.663 7.551 2.140 1.00 0.89 H new ATOM 0 HD23 LEU A 20 0.749 6.055 1.835 1.00 0.89 H new ATOM 311 N ALA A 21 2.499 2.779 4.745 1.00 0.68 N ATOM 312 CA ALA A 21 1.693 1.672 5.362 1.00 0.76 C ATOM 313 C ALA A 21 2.039 1.505 6.850 1.00 0.92 C ATOM 314 O ALA A 21 1.161 1.569 7.686 1.00 1.02 O ATOM 315 CB ALA A 21 1.952 0.344 4.624 1.00 0.93 C ATOM 0 H ALA A 21 2.845 2.596 3.803 1.00 0.68 H new ATOM 0 HA ALA A 21 0.639 1.936 5.273 1.00 0.76 H new ATOM 0 HB1 ALA A 21 1.361 -0.449 5.083 1.00 0.93 H new ATOM 0 HB2 ALA A 21 1.668 0.448 3.577 1.00 0.93 H new ATOM 0 HB3 ALA A 21 3.010 0.092 4.690 1.00 0.93 H new ATOM 321 N GLU A 22 3.313 1.323 7.138 1.00 1.06 N ATOM 322 CA GLU A 22 3.776 1.143 8.547 1.00 1.28 C ATOM 323 C GLU A 22 3.028 2.044 9.536 1.00 1.25 C ATOM 324 O GLU A 22 2.662 1.639 10.623 1.00 1.26 O ATOM 325 CB GLU A 22 5.255 1.508 8.585 1.00 1.66 C ATOM 326 CG GLU A 22 6.093 0.497 7.790 1.00 1.51 C ATOM 327 CD GLU A 22 6.761 -0.491 8.752 1.00 1.40 C ATOM 328 OE1 GLU A 22 6.017 -1.171 9.432 1.00 2.81 O ATOM 329 OE2 GLU A 22 7.977 -0.567 8.699 1.00 1.70 O ATOM 0 H GLU A 22 4.057 1.292 6.441 1.00 1.06 H new ATOM 0 HA GLU A 22 3.588 0.111 8.844 1.00 1.28 H new ATOM 0 HB2 GLU A 22 5.397 2.507 8.173 1.00 1.66 H new ATOM 0 HB3 GLU A 22 5.599 1.538 9.619 1.00 1.66 H new ATOM 0 HG2 GLU A 22 5.459 -0.040 7.084 1.00 1.51 H new ATOM 0 HG3 GLU A 22 6.851 1.018 7.205 1.00 1.51 H new ATOM 336 N LYS A 23 2.824 3.262 9.125 1.00 1.37 N ATOM 337 CA LYS A 23 2.142 4.249 9.990 1.00 1.54 C ATOM 338 C LYS A 23 0.672 3.884 10.115 1.00 1.38 C ATOM 339 O LYS A 23 0.152 3.710 11.195 1.00 1.62 O ATOM 340 CB LYS A 23 2.310 5.597 9.293 1.00 1.63 C ATOM 341 CG LYS A 23 2.780 6.682 10.277 1.00 1.55 C ATOM 342 CD LYS A 23 4.060 6.259 11.038 1.00 2.52 C ATOM 343 CE LYS A 23 5.058 5.488 10.143 1.00 3.83 C ATOM 344 NZ LYS A 23 5.199 6.125 8.796 1.00 4.62 N ATOM 0 H LYS A 23 3.107 3.617 8.211 1.00 1.37 H new ATOM 0 HA LYS A 23 2.558 4.275 10.997 1.00 1.54 H new ATOM 0 HB2 LYS A 23 3.032 5.502 8.482 1.00 1.63 H new ATOM 0 HB3 LYS A 23 1.363 5.897 8.843 1.00 1.63 H new ATOM 0 HG2 LYS A 23 2.971 7.607 9.733 1.00 1.55 H new ATOM 0 HG3 LYS A 23 1.985 6.891 10.993 1.00 1.55 H new ATOM 0 HD2 LYS A 23 4.549 7.146 11.440 1.00 2.52 H new ATOM 0 HD3 LYS A 23 3.783 5.635 11.888 1.00 2.52 H new ATOM 0 HE2 LYS A 23 6.032 5.451 10.632 1.00 3.83 H new ATOM 0 HE3 LYS A 23 4.721 4.458 10.025 1.00 3.83 H new ATOM 0 HZ1 LYS A 23 4.935 5.441 8.059 1.00 4.62 H new ATOM 0 HZ2 LYS A 23 4.575 6.955 8.737 1.00 4.62 H new ATOM 0 HZ3 LYS A 23 6.185 6.423 8.654 1.00 4.62 H new ATOM 358 N LEU A 24 0.053 3.752 8.986 1.00 1.08 N ATOM 359 CA LEU A 24 -1.387 3.388 8.973 1.00 1.05 C ATOM 360 C LEU A 24 -1.580 2.165 9.884 1.00 1.00 C ATOM 361 O LEU A 24 -2.463 2.150 10.724 1.00 1.23 O ATOM 362 CB LEU A 24 -1.784 3.071 7.532 1.00 0.81 C ATOM 363 CG LEU A 24 -1.362 4.215 6.587 1.00 0.90 C ATOM 364 CD1 LEU A 24 -1.800 3.857 5.169 1.00 0.99 C ATOM 365 CD2 LEU A 24 -1.993 5.552 7.004 1.00 1.36 C ATOM 0 H LEU A 24 0.479 3.880 8.068 1.00 1.08 H new ATOM 0 HA LEU A 24 -2.014 4.201 9.340 1.00 1.05 H new ATOM 0 HB2 LEU A 24 -1.314 2.140 7.216 1.00 0.81 H new ATOM 0 HB3 LEU A 24 -2.862 2.921 7.471 1.00 0.81 H new ATOM 0 HG LEU A 24 -0.280 4.333 6.637 1.00 0.90 H new ATOM 0 HD11 LEU A 24 -1.510 4.655 4.486 1.00 0.99 H new ATOM 0 HD12 LEU A 24 -1.321 2.927 4.864 1.00 0.99 H new ATOM 0 HD13 LEU A 24 -2.883 3.733 5.143 1.00 0.99 H new ATOM 0 HD21 LEU A 24 -1.674 6.335 6.316 1.00 1.36 H new ATOM 0 HD22 LEU A 24 -3.079 5.466 6.977 1.00 1.36 H new ATOM 0 HD23 LEU A 24 -1.674 5.805 8.015 1.00 1.36 H new ATOM 377 N SER A 25 -0.708 1.200 9.712 1.00 0.73 N ATOM 378 CA SER A 25 -0.756 -0.050 10.544 1.00 0.68 C ATOM 379 C SER A 25 -0.647 0.236 12.048 1.00 0.92 C ATOM 380 O SER A 25 -1.135 -0.529 12.849 1.00 1.05 O ATOM 381 CB SER A 25 0.428 -0.952 10.176 1.00 0.74 C ATOM 382 OG SER A 25 0.309 -1.158 8.781 1.00 1.35 O ATOM 0 H SER A 25 0.044 1.223 9.023 1.00 0.73 H new ATOM 0 HA SER A 25 -1.717 -0.522 10.340 1.00 0.68 H new ATOM 0 HB2 SER A 25 1.378 -0.479 10.426 1.00 0.74 H new ATOM 0 HB3 SER A 25 0.389 -1.896 10.720 1.00 0.74 H new ATOM 0 HG SER A 25 -0.482 -1.707 8.598 1.00 1.35 H new ATOM 388 N ASN A 26 0.015 1.300 12.398 1.00 1.10 N ATOM 389 CA ASN A 26 0.197 1.633 13.846 1.00 1.38 C ATOM 390 C ASN A 26 -0.753 2.742 14.296 1.00 1.56 C ATOM 391 O ASN A 26 -0.954 2.935 15.473 1.00 2.00 O ATOM 392 CB ASN A 26 1.639 2.105 14.044 1.00 1.56 C ATOM 393 CG ASN A 26 1.947 2.233 15.537 1.00 2.65 C ATOM 394 OD1 ASN A 26 2.191 1.258 16.213 1.00 2.81 O ATOM 395 ND2 ASN A 26 1.965 3.408 16.090 1.00 4.14 N ATOM 0 H ASN A 26 0.441 1.959 11.746 1.00 1.10 H new ATOM 0 HA ASN A 26 -0.021 0.745 14.440 1.00 1.38 H new ATOM 0 HB2 ASN A 26 2.328 1.399 13.581 1.00 1.56 H new ATOM 0 HB3 ASN A 26 1.787 3.065 13.550 1.00 1.56 H new ATOM 0 HD21 ASN A 26 2.183 3.501 17.082 1.00 4.14 H new ATOM 0 HD22 ASN A 26 1.761 4.237 15.532 1.00 4.14 H new ATOM 402 N GLU A 27 -1.295 3.452 13.350 1.00 1.51 N ATOM 403 CA GLU A 27 -2.226 4.567 13.687 1.00 1.75 C ATOM 404 C GLU A 27 -3.657 4.051 13.810 1.00 1.80 C ATOM 405 O GLU A 27 -4.362 4.399 14.733 1.00 2.19 O ATOM 406 CB GLU A 27 -2.208 5.613 12.562 1.00 2.05 C ATOM 407 CG GLU A 27 -0.903 6.414 12.541 1.00 2.18 C ATOM 408 CD GLU A 27 -0.888 7.251 11.258 1.00 2.45 C ATOM 409 OE1 GLU A 27 -1.520 8.302 11.287 1.00 3.13 O ATOM 410 OE2 GLU A 27 -0.343 6.752 10.284 1.00 2.89 O ATOM 0 H GLU A 27 -1.134 3.309 12.353 1.00 1.51 H new ATOM 0 HA GLU A 27 -1.901 5.003 14.632 1.00 1.75 H new ATOM 0 HB2 GLU A 27 -2.342 5.115 11.602 1.00 2.05 H new ATOM 0 HB3 GLU A 27 -3.049 6.295 12.688 1.00 2.05 H new ATOM 0 HG2 GLU A 27 -0.836 7.058 13.418 1.00 2.18 H new ATOM 0 HG3 GLU A 27 -0.043 5.745 12.570 1.00 2.18 H new ATOM 417 N ARG A 28 -4.046 3.238 12.867 1.00 1.61 N ATOM 418 CA ARG A 28 -5.438 2.700 12.877 1.00 1.71 C ATOM 419 C ARG A 28 -5.471 1.239 13.331 1.00 1.59 C ATOM 420 O ARG A 28 -6.530 0.734 13.657 1.00 2.91 O ATOM 421 CB ARG A 28 -6.016 2.807 11.455 1.00 1.81 C ATOM 422 CG ARG A 28 -6.223 4.288 11.062 1.00 1.72 C ATOM 423 CD ARG A 28 -4.986 4.865 10.357 1.00 1.86 C ATOM 424 NE ARG A 28 -5.192 6.340 10.207 1.00 2.83 N ATOM 425 CZ ARG A 28 -4.216 7.166 10.396 1.00 4.08 C ATOM 426 NH1 ARG A 28 -3.197 7.105 9.606 1.00 5.55 N ATOM 427 NH2 ARG A 28 -4.308 8.013 11.366 1.00 4.69 N ATOM 0 H ARG A 28 -3.463 2.923 12.092 1.00 1.61 H new ATOM 0 HA ARG A 28 -6.032 3.282 13.581 1.00 1.71 H new ATOM 0 HB2 ARG A 28 -5.342 2.328 10.745 1.00 1.81 H new ATOM 0 HB3 ARG A 28 -6.966 2.275 11.402 1.00 1.81 H new ATOM 0 HG2 ARG A 28 -7.089 4.373 10.406 1.00 1.72 H new ATOM 0 HG3 ARG A 28 -6.440 4.875 11.954 1.00 1.72 H new ATOM 0 HD2 ARG A 28 -4.086 4.662 10.937 1.00 1.86 H new ATOM 0 HD3 ARG A 28 -4.849 4.397 9.382 1.00 1.86 H new ATOM 0 HE ARG A 28 -6.113 6.697 9.953 1.00 2.83 H new ATOM 0 HH11 ARG A 28 -3.175 6.416 8.854 1.00 5.55 H new ATOM 0 HH12 ARG A 28 -2.414 7.746 9.734 1.00 5.55 H new ATOM 0 HH21 ARG A 28 -5.137 8.019 11.961 1.00 4.69 H new ATOM 0 HH22 ARG A 28 -3.552 8.676 11.537 1.00 4.69 H new ATOM 441 N ASP A 29 -4.322 0.599 13.296 1.00 1.98 N ATOM 442 CA ASP A 29 -4.194 -0.849 13.712 1.00 2.52 C ATOM 443 C ASP A 29 -4.880 -1.803 12.723 1.00 2.07 C ATOM 444 O ASP A 29 -4.275 -2.756 12.271 1.00 2.61 O ATOM 445 CB ASP A 29 -4.764 -1.075 15.118 1.00 3.35 C ATOM 446 CG ASP A 29 -3.822 -0.457 16.153 1.00 4.69 C ATOM 447 OD1 ASP A 29 -3.637 0.744 16.062 1.00 5.06 O ATOM 448 OD2 ASP A 29 -3.332 -1.223 16.965 1.00 5.90 O ATOM 0 H ASP A 29 -3.447 1.025 12.991 1.00 1.98 H new ATOM 0 HA ASP A 29 -3.127 -1.073 13.715 1.00 2.52 H new ATOM 0 HB2 ASP A 29 -5.754 -0.626 15.197 1.00 3.35 H new ATOM 0 HB3 ASP A 29 -4.881 -2.142 15.308 1.00 3.35 H new ATOM 453 N ASP A 30 -6.122 -1.546 12.396 1.00 1.52 N ATOM 454 CA ASP A 30 -6.846 -2.430 11.428 1.00 1.24 C ATOM 455 C ASP A 30 -6.363 -2.101 10.006 1.00 0.99 C ATOM 456 O ASP A 30 -7.126 -1.780 9.117 1.00 1.62 O ATOM 457 CB ASP A 30 -8.361 -2.180 11.560 1.00 1.53 C ATOM 458 CG ASP A 30 -9.110 -2.968 10.477 1.00 2.44 C ATOM 459 OD1 ASP A 30 -8.879 -4.160 10.407 1.00 3.43 O ATOM 460 OD2 ASP A 30 -9.827 -2.336 9.721 1.00 3.03 O ATOM 0 H ASP A 30 -6.667 -0.763 12.757 1.00 1.52 H new ATOM 0 HA ASP A 30 -6.644 -3.480 11.638 1.00 1.24 H new ATOM 0 HB2 ASP A 30 -8.705 -2.484 12.549 1.00 1.53 H new ATOM 0 HB3 ASP A 30 -8.574 -1.115 11.462 1.00 1.53 H new ATOM 465 N PHE A 31 -5.082 -2.168 9.825 1.00 1.17 N ATOM 466 CA PHE A 31 -4.498 -1.862 8.498 1.00 0.89 C ATOM 467 C PHE A 31 -3.266 -2.740 8.260 1.00 0.94 C ATOM 468 O PHE A 31 -2.142 -2.328 8.496 1.00 1.28 O ATOM 469 CB PHE A 31 -4.155 -0.361 8.464 1.00 0.75 C ATOM 470 CG PHE A 31 -3.508 0.003 7.122 1.00 0.59 C ATOM 471 CD1 PHE A 31 -4.280 0.355 6.033 1.00 0.74 C ATOM 472 CD2 PHE A 31 -2.140 -0.062 6.971 1.00 0.52 C ATOM 473 CE1 PHE A 31 -3.685 0.629 4.818 1.00 0.72 C ATOM 474 CE2 PHE A 31 -1.549 0.205 5.765 1.00 0.58 C ATOM 475 CZ PHE A 31 -2.316 0.551 4.685 1.00 0.62 C ATOM 0 H PHE A 31 -4.407 -2.424 10.546 1.00 1.17 H new ATOM 0 HA PHE A 31 -5.204 -2.079 7.697 1.00 0.89 H new ATOM 0 HB2 PHE A 31 -5.059 0.230 8.613 1.00 0.75 H new ATOM 0 HB3 PHE A 31 -3.477 -0.117 9.281 1.00 0.75 H new ATOM 0 HD1 PHE A 31 -5.354 0.416 6.132 1.00 0.74 H new ATOM 0 HD2 PHE A 31 -1.524 -0.328 7.817 1.00 0.52 H new ATOM 0 HE1 PHE A 31 -4.294 0.905 3.970 1.00 0.72 H new ATOM 0 HE2 PHE A 31 -0.475 0.143 5.666 1.00 0.58 H new ATOM 0 HZ PHE A 31 -1.850 0.762 3.734 1.00 0.62 H new ATOM 485 N GLN A 32 -3.503 -3.942 7.832 1.00 0.92 N ATOM 486 CA GLN A 32 -2.367 -4.860 7.560 1.00 0.94 C ATOM 487 C GLN A 32 -1.974 -4.642 6.103 1.00 0.83 C ATOM 488 O GLN A 32 -2.820 -4.407 5.271 1.00 1.23 O ATOM 489 CB GLN A 32 -2.821 -6.321 7.753 1.00 1.16 C ATOM 490 CG GLN A 32 -2.977 -6.677 9.244 1.00 1.67 C ATOM 491 CD GLN A 32 -3.886 -5.675 9.955 1.00 2.03 C ATOM 492 OE1 GLN A 32 -5.010 -5.436 9.548 1.00 2.90 O ATOM 493 NE2 GLN A 32 -3.419 -5.069 11.008 1.00 3.19 N ATOM 0 H GLN A 32 -4.430 -4.330 7.659 1.00 0.92 H new ATOM 0 HA GLN A 32 -1.533 -4.666 8.234 1.00 0.94 H new ATOM 0 HB2 GLN A 32 -3.770 -6.478 7.240 1.00 1.16 H new ATOM 0 HB3 GLN A 32 -2.095 -6.991 7.293 1.00 1.16 H new ATOM 0 HG2 GLN A 32 -3.391 -7.681 9.340 1.00 1.67 H new ATOM 0 HG3 GLN A 32 -1.998 -6.689 9.723 1.00 1.67 H new ATOM 0 HE21 GLN A 32 -2.477 -5.276 11.340 1.00 3.19 H new ATOM 0 HE22 GLN A 32 -3.995 -4.387 11.501 1.00 3.19 H new ATOM 502 N TYR A 33 -0.710 -4.676 5.810 1.00 0.76 N ATOM 503 CA TYR A 33 -0.284 -4.484 4.394 1.00 0.69 C ATOM 504 C TYR A 33 0.670 -5.610 4.015 1.00 0.76 C ATOM 505 O TYR A 33 1.366 -6.122 4.871 1.00 0.92 O ATOM 506 CB TYR A 33 0.406 -3.119 4.230 1.00 0.70 C ATOM 507 CG TYR A 33 1.662 -3.014 5.106 1.00 0.54 C ATOM 508 CD1 TYR A 33 1.571 -2.709 6.452 1.00 0.56 C ATOM 509 CD2 TYR A 33 2.910 -3.180 4.544 1.00 0.75 C ATOM 510 CE1 TYR A 33 2.713 -2.562 7.215 1.00 0.78 C ATOM 511 CE2 TYR A 33 4.050 -3.040 5.305 1.00 0.91 C ATOM 512 CZ TYR A 33 3.966 -2.724 6.642 1.00 0.92 C ATOM 513 OH TYR A 33 5.130 -2.566 7.371 1.00 1.26 O ATOM 0 H TYR A 33 0.045 -4.827 6.480 1.00 0.76 H new ATOM 0 HA TYR A 33 -1.154 -4.506 3.738 1.00 0.69 H new ATOM 0 HB2 TYR A 33 0.677 -2.970 3.185 1.00 0.70 H new ATOM 0 HB3 TYR A 33 -0.291 -2.324 4.495 1.00 0.70 H new ATOM 0 HD1 TYR A 33 0.601 -2.585 6.909 1.00 0.56 H new ATOM 0 HD2 TYR A 33 2.995 -3.423 3.495 1.00 0.75 H new ATOM 0 HE1 TYR A 33 2.630 -2.319 8.264 1.00 0.78 H new ATOM 0 HE2 TYR A 33 5.019 -3.180 4.848 1.00 0.91 H new ATOM 0 HH TYR A 33 4.919 -2.167 8.241 1.00 1.26 H new ATOM 523 N GLN A 34 0.677 -5.969 2.760 1.00 0.69 N ATOM 524 CA GLN A 34 1.589 -7.057 2.295 1.00 0.76 C ATOM 525 C GLN A 34 2.582 -6.473 1.290 1.00 0.66 C ATOM 526 O GLN A 34 2.192 -5.706 0.418 1.00 0.74 O ATOM 527 CB GLN A 34 0.751 -8.161 1.617 1.00 0.95 C ATOM 528 CG GLN A 34 1.653 -9.304 1.106 1.00 1.25 C ATOM 529 CD GLN A 34 0.795 -10.349 0.372 1.00 2.71 C ATOM 530 OE1 GLN A 34 -0.336 -10.595 0.727 1.00 3.79 O ATOM 531 NE2 GLN A 34 1.288 -10.997 -0.643 1.00 3.72 N ATOM 0 H GLN A 34 0.090 -5.556 2.035 1.00 0.69 H new ATOM 0 HA GLN A 34 2.131 -7.482 3.140 1.00 0.76 H new ATOM 0 HB2 GLN A 34 0.023 -8.556 2.325 1.00 0.95 H new ATOM 0 HB3 GLN A 34 0.189 -7.737 0.785 1.00 0.95 H new ATOM 0 HG2 GLN A 34 2.415 -8.907 0.435 1.00 1.25 H new ATOM 0 HG3 GLN A 34 2.176 -9.770 1.941 1.00 1.25 H new ATOM 0 HE21 GLN A 34 2.239 -10.805 -0.958 1.00 3.72 H new ATOM 0 HE22 GLN A 34 0.724 -11.697 -1.124 1.00 3.72 H new ATOM 540 N TYR A 35 3.836 -6.839 1.417 1.00 0.58 N ATOM 541 CA TYR A 35 4.836 -6.313 0.449 1.00 0.62 C ATOM 542 C TYR A 35 4.971 -7.371 -0.634 1.00 0.60 C ATOM 543 O TYR A 35 5.405 -8.484 -0.380 1.00 0.87 O ATOM 544 CB TYR A 35 6.206 -6.073 1.109 1.00 0.70 C ATOM 545 CG TYR A 35 7.083 -5.261 0.134 1.00 0.76 C ATOM 546 CD1 TYR A 35 6.929 -3.890 0.025 1.00 0.87 C ATOM 547 CD2 TYR A 35 7.985 -5.894 -0.702 1.00 0.96 C ATOM 548 CE1 TYR A 35 7.651 -3.169 -0.910 1.00 1.02 C ATOM 549 CE2 TYR A 35 8.707 -5.172 -1.634 1.00 1.09 C ATOM 550 CZ TYR A 35 8.543 -3.806 -1.752 1.00 1.05 C ATOM 551 OH TYR A 35 9.226 -3.104 -2.735 1.00 1.22 O ATOM 0 H TYR A 35 4.200 -7.466 2.135 1.00 0.58 H new ATOM 0 HA TYR A 35 4.506 -5.352 0.054 1.00 0.62 H new ATOM 0 HB2 TYR A 35 6.085 -5.534 2.048 1.00 0.70 H new ATOM 0 HB3 TYR A 35 6.684 -7.023 1.347 1.00 0.70 H new ATOM 0 HD1 TYR A 35 6.238 -3.377 0.677 1.00 0.87 H new ATOM 0 HD2 TYR A 35 8.127 -6.962 -0.626 1.00 0.96 H new ATOM 0 HE1 TYR A 35 7.516 -2.100 -0.982 1.00 1.02 H new ATOM 0 HE2 TYR A 35 9.408 -5.683 -2.278 1.00 1.09 H new ATOM 0 HH TYR A 35 9.363 -2.179 -2.441 1.00 1.22 H new ATOM 561 N VAL A 36 4.570 -6.998 -1.813 1.00 0.43 N ATOM 562 CA VAL A 36 4.618 -7.930 -2.958 1.00 0.42 C ATOM 563 C VAL A 36 5.657 -7.441 -3.966 1.00 0.47 C ATOM 564 O VAL A 36 5.709 -6.272 -4.276 1.00 0.60 O ATOM 565 CB VAL A 36 3.195 -7.955 -3.553 1.00 0.39 C ATOM 566 CG1 VAL A 36 3.210 -8.334 -5.041 1.00 0.41 C ATOM 567 CG2 VAL A 36 2.375 -8.990 -2.776 1.00 0.44 C ATOM 0 H VAL A 36 4.206 -6.071 -2.031 1.00 0.43 H new ATOM 0 HA VAL A 36 4.914 -8.938 -2.667 1.00 0.42 H new ATOM 0 HB VAL A 36 2.759 -6.960 -3.469 1.00 0.39 H new ATOM 0 HG11 VAL A 36 2.190 -8.341 -5.425 1.00 0.41 H new ATOM 0 HG12 VAL A 36 3.802 -7.606 -5.596 1.00 0.41 H new ATOM 0 HG13 VAL A 36 3.649 -9.324 -5.160 1.00 0.41 H new ATOM 0 HG21 VAL A 36 1.362 -9.028 -3.178 1.00 0.44 H new ATOM 0 HG22 VAL A 36 2.841 -9.971 -2.873 1.00 0.44 H new ATOM 0 HG23 VAL A 36 2.338 -8.709 -1.724 1.00 0.44 H new ATOM 577 N ASP A 37 6.463 -8.345 -4.438 1.00 0.43 N ATOM 578 CA ASP A 37 7.514 -7.992 -5.432 1.00 0.53 C ATOM 579 C ASP A 37 7.171 -8.667 -6.762 1.00 0.57 C ATOM 580 O ASP A 37 6.899 -9.860 -6.803 1.00 0.92 O ATOM 581 CB ASP A 37 8.871 -8.495 -4.920 1.00 0.60 C ATOM 582 CG ASP A 37 9.830 -8.677 -6.090 1.00 1.02 C ATOM 583 OD1 ASP A 37 9.868 -7.778 -6.913 1.00 1.68 O ATOM 584 OD2 ASP A 37 10.499 -9.687 -6.088 1.00 2.17 O ATOM 0 H ASP A 37 6.439 -9.330 -4.174 1.00 0.43 H new ATOM 0 HA ASP A 37 7.563 -6.912 -5.574 1.00 0.53 H new ATOM 0 HB2 ASP A 37 9.286 -7.785 -4.205 1.00 0.60 H new ATOM 0 HB3 ASP A 37 8.743 -9.440 -4.393 1.00 0.60 H new ATOM 589 N ILE A 38 7.232 -7.912 -7.824 1.00 0.69 N ATOM 590 CA ILE A 38 6.894 -8.507 -9.142 1.00 0.77 C ATOM 591 C ILE A 38 7.830 -9.664 -9.501 1.00 0.82 C ATOM 592 O ILE A 38 7.389 -10.575 -10.168 1.00 0.98 O ATOM 593 CB ILE A 38 6.912 -7.442 -10.249 1.00 0.95 C ATOM 594 CG1 ILE A 38 8.305 -6.823 -10.354 1.00 1.18 C ATOM 595 CG2 ILE A 38 5.881 -6.348 -9.921 1.00 0.96 C ATOM 596 CD1 ILE A 38 8.416 -6.032 -11.665 1.00 1.35 C ATOM 0 H ILE A 38 7.496 -6.927 -7.836 1.00 0.69 H new ATOM 0 HA ILE A 38 5.884 -8.909 -9.062 1.00 0.77 H new ATOM 0 HB ILE A 38 6.659 -7.908 -11.201 1.00 0.95 H new ATOM 0 HG12 ILE A 38 8.488 -6.166 -9.504 1.00 1.18 H new ATOM 0 HG13 ILE A 38 9.065 -7.604 -10.322 1.00 1.18 H new ATOM 0 HG21 ILE A 38 5.892 -5.591 -10.705 1.00 0.96 H new ATOM 0 HG22 ILE A 38 4.887 -6.792 -9.859 1.00 0.96 H new ATOM 0 HG23 ILE A 38 6.132 -5.885 -8.967 1.00 0.96 H new ATOM 0 HD11 ILE A 38 9.410 -5.590 -11.740 1.00 1.35 H new ATOM 0 HD12 ILE A 38 8.252 -6.702 -12.509 1.00 1.35 H new ATOM 0 HD13 ILE A 38 7.666 -5.242 -11.678 1.00 1.35 H new ATOM 608 N ARG A 39 9.063 -9.646 -9.044 1.00 0.82 N ATOM 609 CA ARG A 39 9.968 -10.787 -9.411 1.00 0.96 C ATOM 610 C ARG A 39 9.644 -12.023 -8.570 1.00 0.91 C ATOM 611 O ARG A 39 9.816 -13.133 -9.027 1.00 1.25 O ATOM 612 CB ARG A 39 11.439 -10.435 -9.164 1.00 1.16 C ATOM 613 CG ARG A 39 11.815 -9.140 -9.899 1.00 1.98 C ATOM 614 CD ARG A 39 13.355 -8.975 -9.935 1.00 2.73 C ATOM 615 NE ARG A 39 13.961 -8.859 -8.553 1.00 3.38 N ATOM 616 CZ ARG A 39 13.199 -8.728 -7.510 1.00 3.83 C ATOM 617 NH1 ARG A 39 12.448 -7.689 -7.423 1.00 4.80 N ATOM 618 NH2 ARG A 39 13.184 -9.653 -6.597 1.00 4.20 N ATOM 0 H ARG A 39 9.471 -8.920 -8.455 1.00 0.82 H new ATOM 0 HA ARG A 39 9.807 -10.988 -10.470 1.00 0.96 H new ATOM 0 HB2 ARG A 39 11.616 -10.317 -8.095 1.00 1.16 H new ATOM 0 HB3 ARG A 39 12.076 -11.251 -9.505 1.00 1.16 H new ATOM 0 HG2 ARG A 39 11.420 -9.162 -10.915 1.00 1.98 H new ATOM 0 HG3 ARG A 39 11.362 -8.284 -9.399 1.00 1.98 H new ATOM 0 HD2 ARG A 39 13.796 -9.828 -10.450 1.00 2.73 H new ATOM 0 HD3 ARG A 39 13.608 -8.087 -10.514 1.00 2.73 H new ATOM 0 HE ARG A 39 14.974 -8.884 -8.440 1.00 3.38 H new ATOM 0 HH11 ARG A 39 12.459 -6.988 -8.164 1.00 4.80 H new ATOM 0 HH12 ARG A 39 11.841 -7.565 -6.613 1.00 4.80 H new ATOM 0 HH21 ARG A 39 13.771 -10.481 -6.700 1.00 4.20 H new ATOM 0 HH22 ARG A 39 12.586 -9.551 -5.777 1.00 4.20 H new ATOM 632 N ALA A 40 9.252 -11.811 -7.341 1.00 0.86 N ATOM 633 CA ALA A 40 8.925 -12.971 -6.459 1.00 0.92 C ATOM 634 C ALA A 40 7.672 -13.705 -6.948 1.00 0.96 C ATOM 635 O ALA A 40 7.670 -14.924 -7.016 1.00 1.10 O ATOM 636 CB ALA A 40 8.694 -12.472 -5.028 1.00 0.94 C ATOM 0 H ALA A 40 9.145 -10.892 -6.912 1.00 0.86 H new ATOM 0 HA ALA A 40 9.763 -13.668 -6.486 1.00 0.92 H new ATOM 0 HB1 ALA A 40 8.455 -13.317 -4.382 1.00 0.94 H new ATOM 0 HB2 ALA A 40 9.596 -11.981 -4.664 1.00 0.94 H new ATOM 0 HB3 ALA A 40 7.866 -11.763 -5.019 1.00 0.94 H new ATOM 642 N GLU A 41 6.641 -12.957 -7.270 1.00 0.88 N ATOM 643 CA GLU A 41 5.378 -13.613 -7.753 1.00 1.02 C ATOM 644 C GLU A 41 5.438 -13.892 -9.271 1.00 1.07 C ATOM 645 O GLU A 41 4.899 -14.883 -9.725 1.00 1.32 O ATOM 646 CB GLU A 41 4.160 -12.720 -7.397 1.00 1.04 C ATOM 647 CG GLU A 41 3.653 -13.075 -5.974 1.00 1.53 C ATOM 648 CD GLU A 41 2.482 -12.162 -5.545 1.00 1.69 C ATOM 649 OE1 GLU A 41 1.528 -12.101 -6.305 1.00 2.53 O ATOM 650 OE2 GLU A 41 2.590 -11.612 -4.461 1.00 2.48 O ATOM 0 H GLU A 41 6.616 -11.938 -7.221 1.00 0.88 H new ATOM 0 HA GLU A 41 5.269 -14.575 -7.253 1.00 1.02 H new ATOM 0 HB2 GLU A 41 4.442 -11.668 -7.442 1.00 1.04 H new ATOM 0 HB3 GLU A 41 3.363 -12.868 -8.125 1.00 1.04 H new ATOM 0 HG2 GLU A 41 3.331 -14.116 -5.951 1.00 1.53 H new ATOM 0 HG3 GLU A 41 4.471 -12.978 -5.261 1.00 1.53 H new ATOM 657 N GLY A 42 6.078 -13.030 -10.025 1.00 1.02 N ATOM 658 CA GLY A 42 6.176 -13.260 -11.509 1.00 1.14 C ATOM 659 C GLY A 42 5.156 -12.388 -12.232 1.00 1.17 C ATOM 660 O GLY A 42 4.423 -12.857 -13.084 1.00 1.33 O ATOM 0 H GLY A 42 6.534 -12.184 -9.685 1.00 1.02 H new ATOM 0 HA2 GLY A 42 7.182 -13.025 -11.858 1.00 1.14 H new ATOM 0 HA3 GLY A 42 5.997 -14.311 -11.737 1.00 1.14 H new ATOM 664 N ILE A 43 5.208 -11.122 -11.929 1.00 1.06 N ATOM 665 CA ILE A 43 4.231 -10.170 -12.536 1.00 1.16 C ATOM 666 C ILE A 43 4.895 -9.332 -13.629 1.00 1.23 C ATOM 667 O ILE A 43 6.098 -9.130 -13.624 1.00 1.22 O ATOM 668 CB ILE A 43 3.696 -9.273 -11.403 1.00 1.11 C ATOM 669 CG1 ILE A 43 3.097 -10.188 -10.316 1.00 1.17 C ATOM 670 CG2 ILE A 43 2.601 -8.331 -11.934 1.00 1.29 C ATOM 671 CD1 ILE A 43 2.796 -9.401 -9.038 1.00 1.49 C ATOM 0 H ILE A 43 5.883 -10.703 -11.289 1.00 1.06 H new ATOM 0 HA ILE A 43 3.412 -10.714 -13.007 1.00 1.16 H new ATOM 0 HB ILE A 43 4.506 -8.666 -10.999 1.00 1.11 H new ATOM 0 HG12 ILE A 43 2.181 -10.648 -10.688 1.00 1.17 H new ATOM 0 HG13 ILE A 43 3.793 -10.997 -10.093 1.00 1.17 H new ATOM 0 HG21 ILE A 43 2.234 -7.705 -11.121 1.00 1.29 H new ATOM 0 HG22 ILE A 43 3.014 -7.699 -12.720 1.00 1.29 H new ATOM 0 HG23 ILE A 43 1.778 -8.921 -12.337 1.00 1.29 H new ATOM 0 HD11 ILE A 43 2.375 -10.071 -8.289 1.00 1.49 H new ATOM 0 HD12 ILE A 43 3.718 -8.962 -8.655 1.00 1.49 H new ATOM 0 HD13 ILE A 43 2.081 -8.608 -9.259 1.00 1.49 H new ATOM 683 N THR A 44 4.081 -8.849 -14.531 1.00 1.41 N ATOM 684 CA THR A 44 4.597 -8.021 -15.658 1.00 1.58 C ATOM 685 C THR A 44 3.991 -6.609 -15.615 1.00 1.68 C ATOM 686 O THR A 44 2.983 -6.384 -14.959 1.00 2.32 O ATOM 687 CB THR A 44 4.204 -8.721 -16.966 1.00 1.85 C ATOM 688 OG1 THR A 44 2.787 -8.913 -16.891 1.00 2.05 O ATOM 689 CG2 THR A 44 4.810 -10.131 -17.015 1.00 1.89 C ATOM 0 H THR A 44 3.072 -8.995 -14.534 1.00 1.41 H new ATOM 0 HA THR A 44 5.680 -7.920 -15.584 1.00 1.58 H new ATOM 0 HB THR A 44 4.537 -8.135 -17.823 1.00 1.85 H new ATOM 0 HG1 THR A 44 2.474 -9.358 -17.706 1.00 2.05 H new ATOM 0 HG21 THR A 44 4.524 -10.618 -17.948 1.00 1.89 H new ATOM 0 HG22 THR A 44 5.896 -10.062 -16.960 1.00 1.89 H new ATOM 0 HG23 THR A 44 4.440 -10.715 -16.173 1.00 1.89 H new ATOM 697 N LYS A 45 4.615 -5.672 -16.297 1.00 1.64 N ATOM 698 CA LYS A 45 4.043 -4.288 -16.306 1.00 1.79 C ATOM 699 C LYS A 45 2.608 -4.411 -16.802 1.00 1.90 C ATOM 700 O LYS A 45 1.712 -3.768 -16.310 1.00 2.23 O ATOM 701 CB LYS A 45 4.826 -3.375 -17.262 1.00 2.07 C ATOM 702 CG LYS A 45 4.319 -1.931 -17.089 1.00 2.78 C ATOM 703 CD LYS A 45 4.881 -1.006 -18.186 1.00 3.38 C ATOM 704 CE LYS A 45 4.326 -1.381 -19.570 1.00 4.00 C ATOM 705 NZ LYS A 45 2.834 -1.486 -19.552 1.00 4.53 N ATOM 0 H LYS A 45 5.473 -5.802 -16.834 1.00 1.64 H new ATOM 0 HA LYS A 45 4.096 -3.853 -15.308 1.00 1.79 H new ATOM 0 HB2 LYS A 45 5.893 -3.429 -17.047 1.00 2.07 H new ATOM 0 HB3 LYS A 45 4.691 -3.702 -18.293 1.00 2.07 H new ATOM 0 HG2 LYS A 45 3.230 -1.919 -17.123 1.00 2.78 H new ATOM 0 HG3 LYS A 45 4.611 -1.555 -16.108 1.00 2.78 H new ATOM 0 HD2 LYS A 45 4.626 0.029 -17.958 1.00 3.38 H new ATOM 0 HD3 LYS A 45 5.969 -1.071 -18.198 1.00 3.38 H new ATOM 0 HE2 LYS A 45 4.630 -0.631 -20.301 1.00 4.00 H new ATOM 0 HE3 LYS A 45 4.755 -2.331 -19.890 1.00 4.00 H new ATOM 0 HZ1 LYS A 45 2.490 -1.707 -20.508 1.00 4.53 H new ATOM 0 HZ2 LYS A 45 2.547 -2.242 -18.898 1.00 4.53 H new ATOM 0 HZ3 LYS A 45 2.426 -0.582 -19.238 1.00 4.53 H new ATOM 719 N GLU A 46 2.459 -5.219 -17.812 1.00 1.85 N ATOM 720 CA GLU A 46 1.118 -5.471 -18.396 1.00 2.00 C ATOM 721 C GLU A 46 0.135 -5.866 -17.282 1.00 1.88 C ATOM 722 O GLU A 46 -0.876 -5.217 -17.107 1.00 1.98 O ATOM 723 CB GLU A 46 1.256 -6.598 -19.434 1.00 2.19 C ATOM 724 CG GLU A 46 1.992 -6.094 -20.700 1.00 2.37 C ATOM 725 CD GLU A 46 3.238 -5.288 -20.328 1.00 2.74 C ATOM 726 OE1 GLU A 46 4.205 -5.920 -19.940 1.00 3.06 O ATOM 727 OE2 GLU A 46 3.132 -4.076 -20.383 1.00 3.72 O ATOM 0 H GLU A 46 3.223 -5.722 -18.263 1.00 1.85 H new ATOM 0 HA GLU A 46 0.731 -4.575 -18.881 1.00 2.00 H new ATOM 0 HB2 GLU A 46 1.803 -7.434 -18.999 1.00 2.19 H new ATOM 0 HB3 GLU A 46 0.268 -6.970 -19.706 1.00 2.19 H new ATOM 0 HG2 GLU A 46 2.276 -6.943 -21.321 1.00 2.37 H new ATOM 0 HG3 GLU A 46 1.319 -5.476 -21.294 1.00 2.37 H new ATOM 734 N ASP A 47 0.453 -6.910 -16.539 1.00 1.75 N ATOM 735 CA ASP A 47 -0.465 -7.338 -15.430 1.00 1.75 C ATOM 736 C ASP A 47 -0.905 -6.139 -14.583 1.00 1.64 C ATOM 737 O ASP A 47 -2.083 -5.950 -14.338 1.00 1.72 O ATOM 738 CB ASP A 47 0.249 -8.334 -14.508 1.00 1.75 C ATOM 739 CG ASP A 47 -0.712 -8.740 -13.384 1.00 2.64 C ATOM 740 OD1 ASP A 47 -0.737 -8.020 -12.397 1.00 3.62 O ATOM 741 OD2 ASP A 47 -1.452 -9.686 -13.610 1.00 3.11 O ATOM 0 H ASP A 47 1.295 -7.474 -16.652 1.00 1.75 H new ATOM 0 HA ASP A 47 -1.339 -7.800 -15.890 1.00 1.75 H new ATOM 0 HB2 ASP A 47 0.563 -9.212 -15.072 1.00 1.75 H new ATOM 0 HB3 ASP A 47 1.150 -7.884 -14.091 1.00 1.75 H new ATOM 746 N LEU A 48 0.065 -5.378 -14.144 1.00 1.52 N ATOM 747 CA LEU A 48 -0.235 -4.186 -13.296 1.00 1.52 C ATOM 748 C LEU A 48 -1.057 -3.159 -14.086 1.00 1.69 C ATOM 749 O LEU A 48 -2.123 -2.755 -13.661 1.00 1.76 O ATOM 750 CB LEU A 48 1.099 -3.585 -12.821 1.00 1.48 C ATOM 751 CG LEU A 48 1.835 -4.618 -11.938 1.00 1.27 C ATOM 752 CD1 LEU A 48 3.283 -4.170 -11.702 1.00 1.38 C ATOM 753 CD2 LEU A 48 1.135 -4.732 -10.575 1.00 1.32 C ATOM 0 H LEU A 48 1.055 -5.532 -14.337 1.00 1.52 H new ATOM 0 HA LEU A 48 -0.830 -4.479 -12.431 1.00 1.52 H new ATOM 0 HB2 LEU A 48 1.716 -3.316 -13.678 1.00 1.48 H new ATOM 0 HB3 LEU A 48 0.919 -2.669 -12.258 1.00 1.48 H new ATOM 0 HG LEU A 48 1.822 -5.581 -12.448 1.00 1.27 H new ATOM 0 HD11 LEU A 48 3.794 -4.904 -11.079 1.00 1.38 H new ATOM 0 HD12 LEU A 48 3.798 -4.085 -12.659 1.00 1.38 H new ATOM 0 HD13 LEU A 48 3.287 -3.202 -11.200 1.00 1.38 H new ATOM 0 HD21 LEU A 48 1.658 -5.462 -9.957 1.00 1.32 H new ATOM 0 HD22 LEU A 48 1.145 -3.762 -10.078 1.00 1.32 H new ATOM 0 HD23 LEU A 48 0.104 -5.054 -10.721 1.00 1.32 H new ATOM 765 N GLN A 49 -0.578 -2.806 -15.240 1.00 1.85 N ATOM 766 CA GLN A 49 -1.313 -1.819 -16.076 1.00 2.11 C ATOM 767 C GLN A 49 -2.768 -2.286 -16.265 1.00 2.14 C ATOM 768 O GLN A 49 -3.675 -1.478 -16.271 1.00 2.32 O ATOM 769 CB GLN A 49 -0.593 -1.690 -17.422 1.00 2.46 C ATOM 770 CG GLN A 49 -1.203 -0.528 -18.213 1.00 2.48 C ATOM 771 CD GLN A 49 -0.494 -0.391 -19.559 1.00 3.32 C ATOM 772 OE1 GLN A 49 0.709 -0.214 -19.628 1.00 4.20 O ATOM 773 NE2 GLN A 49 -1.193 -0.457 -20.649 1.00 3.94 N ATOM 0 H GLN A 49 0.291 -3.157 -15.643 1.00 1.85 H new ATOM 0 HA GLN A 49 -1.334 -0.843 -15.590 1.00 2.11 H new ATOM 0 HB2 GLN A 49 0.471 -1.518 -17.263 1.00 2.46 H new ATOM 0 HB3 GLN A 49 -0.685 -2.618 -17.987 1.00 2.46 H new ATOM 0 HG2 GLN A 49 -2.268 -0.701 -18.368 1.00 2.48 H new ATOM 0 HG3 GLN A 49 -1.110 0.398 -17.646 1.00 2.48 H new ATOM 0 HE21 GLN A 49 -2.201 -0.605 -20.600 1.00 3.94 H new ATOM 0 HE22 GLN A 49 -0.735 -0.361 -21.555 1.00 3.94 H new ATOM 782 N GLN A 50 -2.944 -3.581 -16.448 1.00 2.09 N ATOM 783 CA GLN A 50 -4.316 -4.150 -16.616 1.00 2.23 C ATOM 784 C GLN A 50 -5.014 -4.209 -15.250 1.00 2.01 C ATOM 785 O GLN A 50 -6.216 -4.085 -15.164 1.00 2.03 O ATOM 786 CB GLN A 50 -4.247 -5.583 -17.187 1.00 2.35 C ATOM 787 CG GLN A 50 -3.682 -5.582 -18.622 1.00 3.72 C ATOM 788 CD GLN A 50 -3.891 -6.958 -19.296 1.00 4.30 C ATOM 789 OE1 GLN A 50 -3.493 -7.181 -20.421 1.00 5.45 O ATOM 790 NE2 GLN A 50 -4.515 -7.914 -18.660 1.00 4.47 N ATOM 0 H GLN A 50 -2.189 -4.265 -16.487 1.00 2.09 H new ATOM 0 HA GLN A 50 -4.869 -3.512 -17.305 1.00 2.23 H new ATOM 0 HB2 GLN A 50 -3.620 -6.203 -16.546 1.00 2.35 H new ATOM 0 HB3 GLN A 50 -5.242 -6.027 -17.185 1.00 2.35 H new ATOM 0 HG2 GLN A 50 -4.172 -4.806 -19.210 1.00 3.72 H new ATOM 0 HG3 GLN A 50 -2.619 -5.341 -18.599 1.00 3.72 H new ATOM 0 HE21 GLN A 50 -4.861 -7.756 -17.713 1.00 4.47 H new ATOM 0 HE22 GLN A 50 -4.656 -8.818 -19.110 1.00 4.47 H new ATOM 799 N LYS A 51 -4.251 -4.451 -14.219 1.00 1.84 N ATOM 800 CA LYS A 51 -4.826 -4.516 -12.854 1.00 1.74 C ATOM 801 C LYS A 51 -5.415 -3.150 -12.482 1.00 1.60 C ATOM 802 O LYS A 51 -6.412 -3.069 -11.788 1.00 1.69 O ATOM 803 CB LYS A 51 -3.688 -4.889 -11.900 1.00 1.98 C ATOM 804 CG LYS A 51 -4.255 -5.568 -10.656 1.00 2.76 C ATOM 805 CD LYS A 51 -3.675 -6.985 -10.491 1.00 2.23 C ATOM 806 CE LYS A 51 -4.161 -7.896 -11.629 1.00 2.80 C ATOM 807 NZ LYS A 51 -3.262 -7.817 -12.812 1.00 3.92 N ATOM 0 H LYS A 51 -3.244 -4.607 -14.269 1.00 1.84 H new ATOM 0 HA LYS A 51 -5.625 -5.255 -12.795 1.00 1.74 H new ATOM 0 HB2 LYS A 51 -2.986 -5.556 -12.401 1.00 1.98 H new ATOM 0 HB3 LYS A 51 -3.132 -3.995 -11.616 1.00 1.98 H new ATOM 0 HG2 LYS A 51 -4.024 -4.971 -9.774 1.00 2.76 H new ATOM 0 HG3 LYS A 51 -5.341 -5.622 -10.729 1.00 2.76 H new ATOM 0 HD2 LYS A 51 -2.586 -6.942 -10.491 1.00 2.23 H new ATOM 0 HD3 LYS A 51 -3.978 -7.400 -9.530 1.00 2.23 H new ATOM 0 HE2 LYS A 51 -4.210 -8.926 -11.276 1.00 2.80 H new ATOM 0 HE3 LYS A 51 -5.172 -7.610 -11.919 1.00 2.80 H new ATOM 0 HZ1 LYS A 51 -3.181 -8.757 -13.250 1.00 3.92 H new ATOM 0 HZ2 LYS A 51 -3.655 -7.146 -13.503 1.00 3.92 H new ATOM 0 HZ3 LYS A 51 -2.321 -7.493 -12.512 1.00 3.92 H new ATOM 821 N ALA A 52 -4.737 -2.114 -12.919 1.00 1.64 N ATOM 822 CA ALA A 52 -5.196 -0.713 -12.655 1.00 1.72 C ATOM 823 C ALA A 52 -5.796 -0.134 -13.946 1.00 2.01 C ATOM 824 O ALA A 52 -6.995 -0.211 -14.140 1.00 2.34 O ATOM 825 CB ALA A 52 -3.991 0.121 -12.204 1.00 1.74 C ATOM 0 H ALA A 52 -3.872 -2.182 -13.455 1.00 1.64 H new ATOM 0 HA ALA A 52 -5.956 -0.697 -11.873 1.00 1.72 H new ATOM 0 HB1 ALA A 52 -4.310 1.145 -12.008 1.00 1.74 H new ATOM 0 HB2 ALA A 52 -3.571 -0.309 -11.295 1.00 1.74 H new ATOM 0 HB3 ALA A 52 -3.234 0.121 -12.989 1.00 1.74 H new ATOM 831 N GLY A 53 -4.976 0.464 -14.780 1.00 2.61 N ATOM 832 CA GLY A 53 -5.512 0.997 -16.073 1.00 3.04 C ATOM 833 C GLY A 53 -5.508 2.521 -16.162 1.00 2.99 C ATOM 834 O GLY A 53 -6.456 3.093 -16.667 1.00 3.11 O ATOM 0 H GLY A 53 -3.978 0.604 -14.625 1.00 2.61 H new ATOM 0 HA2 GLY A 53 -4.920 0.593 -16.894 1.00 3.04 H new ATOM 0 HA3 GLY A 53 -6.532 0.637 -16.208 1.00 3.04 H new ATOM 838 N LYS A 54 -4.466 3.157 -15.701 1.00 3.14 N ATOM 839 CA LYS A 54 -4.425 4.648 -15.795 1.00 3.34 C ATOM 840 C LYS A 54 -3.197 5.069 -16.619 1.00 3.68 C ATOM 841 O LYS A 54 -2.391 5.873 -16.200 1.00 4.81 O ATOM 842 CB LYS A 54 -4.418 5.294 -14.381 1.00 3.74 C ATOM 843 CG LYS A 54 -3.188 4.893 -13.541 1.00 4.07 C ATOM 844 CD LYS A 54 -3.155 5.738 -12.247 1.00 4.76 C ATOM 845 CE LYS A 54 -1.733 5.748 -11.648 1.00 5.52 C ATOM 846 NZ LYS A 54 -1.657 6.596 -10.410 1.00 6.17 N ATOM 0 H LYS A 54 -3.652 2.719 -15.269 1.00 3.14 H new ATOM 0 HA LYS A 54 -5.323 5.005 -16.300 1.00 3.34 H new ATOM 0 HB2 LYS A 54 -4.443 6.379 -14.483 1.00 3.74 H new ATOM 0 HB3 LYS A 54 -5.324 5.003 -13.850 1.00 3.74 H new ATOM 0 HG2 LYS A 54 -3.232 3.832 -13.295 1.00 4.07 H new ATOM 0 HG3 LYS A 54 -2.275 5.050 -14.115 1.00 4.07 H new ATOM 0 HD2 LYS A 54 -3.473 6.758 -12.463 1.00 4.76 H new ATOM 0 HD3 LYS A 54 -3.859 5.331 -11.521 1.00 4.76 H new ATOM 0 HE2 LYS A 54 -1.432 4.728 -11.409 1.00 5.52 H new ATOM 0 HE3 LYS A 54 -1.028 6.123 -12.390 1.00 5.52 H new ATOM 0 HZ1 LYS A 54 -0.993 7.381 -10.567 1.00 6.17 H new ATOM 0 HZ2 LYS A 54 -2.600 6.978 -10.193 1.00 6.17 H new ATOM 0 HZ3 LYS A 54 -1.326 6.017 -9.612 1.00 6.17 H new ATOM 860 N PRO A 55 -3.158 4.571 -17.837 1.00 3.33 N ATOM 861 CA PRO A 55 -2.229 3.484 -18.272 1.00 2.96 C ATOM 862 C PRO A 55 -0.763 3.942 -18.450 1.00 2.91 C ATOM 863 O PRO A 55 -0.073 3.509 -19.362 1.00 3.67 O ATOM 864 CB PRO A 55 -2.824 3.006 -19.609 1.00 3.97 C ATOM 865 CG PRO A 55 -4.208 3.685 -19.739 1.00 4.42 C ATOM 866 CD PRO A 55 -4.143 4.944 -18.867 1.00 4.14 C ATOM 0 HA PRO A 55 -2.163 2.704 -17.514 1.00 2.96 H new ATOM 0 HB2 PRO A 55 -2.177 3.280 -20.442 1.00 3.97 H new ATOM 0 HB3 PRO A 55 -2.921 1.920 -19.625 1.00 3.97 H new ATOM 0 HG2 PRO A 55 -4.422 3.940 -20.777 1.00 4.42 H new ATOM 0 HG3 PRO A 55 -5.003 3.019 -19.404 1.00 4.42 H new ATOM 0 HD2 PRO A 55 -3.823 5.816 -19.437 1.00 4.14 H new ATOM 0 HD3 PRO A 55 -5.113 5.186 -18.432 1.00 4.14 H new ATOM 874 N VAL A 56 -0.328 4.791 -17.570 1.00 3.00 N ATOM 875 CA VAL A 56 1.064 5.300 -17.606 1.00 3.40 C ATOM 876 C VAL A 56 1.634 5.232 -16.179 1.00 3.07 C ATOM 877 O VAL A 56 2.382 6.091 -15.748 1.00 4.32 O ATOM 878 CB VAL A 56 1.054 6.742 -18.148 1.00 4.77 C ATOM 879 CG1 VAL A 56 0.633 6.715 -19.625 1.00 5.56 C ATOM 880 CG2 VAL A 56 0.060 7.620 -17.370 1.00 5.45 C ATOM 0 H VAL A 56 -0.894 5.163 -16.807 1.00 3.00 H new ATOM 0 HA VAL A 56 1.693 4.700 -18.263 1.00 3.40 H new ATOM 0 HB VAL A 56 2.054 7.161 -18.035 1.00 4.77 H new ATOM 0 HG11 VAL A 56 0.623 7.731 -20.019 1.00 5.56 H new ATOM 0 HG12 VAL A 56 1.341 6.112 -20.194 1.00 5.56 H new ATOM 0 HG13 VAL A 56 -0.364 6.282 -19.711 1.00 5.56 H new ATOM 0 HG21 VAL A 56 0.075 8.632 -17.775 1.00 5.45 H new ATOM 0 HG22 VAL A 56 -0.944 7.205 -17.465 1.00 5.45 H new ATOM 0 HG23 VAL A 56 0.343 7.646 -16.318 1.00 5.45 H new ATOM 890 N GLU A 57 1.270 4.177 -15.493 1.00 2.31 N ATOM 891 CA GLU A 57 1.733 3.965 -14.098 1.00 2.95 C ATOM 892 C GLU A 57 2.834 2.889 -14.040 1.00 2.37 C ATOM 893 O GLU A 57 2.924 2.022 -14.898 1.00 2.68 O ATOM 894 CB GLU A 57 0.518 3.534 -13.244 1.00 4.32 C ATOM 895 CG GLU A 57 -0.101 2.213 -13.757 1.00 4.72 C ATOM 896 CD GLU A 57 -1.325 2.484 -14.644 1.00 4.98 C ATOM 897 OE1 GLU A 57 -1.173 3.253 -15.571 1.00 5.00 O ATOM 898 OE2 GLU A 57 -2.347 1.890 -14.355 1.00 5.92 O ATOM 0 H GLU A 57 0.660 3.443 -15.853 1.00 2.31 H new ATOM 0 HA GLU A 57 2.158 4.891 -13.710 1.00 2.95 H new ATOM 0 HB2 GLU A 57 0.828 3.412 -12.206 1.00 4.32 H new ATOM 0 HB3 GLU A 57 -0.237 4.320 -13.261 1.00 4.32 H new ATOM 0 HG2 GLU A 57 0.645 1.654 -14.322 1.00 4.72 H new ATOM 0 HG3 GLU A 57 -0.392 1.591 -12.910 1.00 4.72 H new ATOM 905 N THR A 58 3.649 3.000 -13.025 1.00 2.45 N ATOM 906 CA THR A 58 4.770 2.036 -12.815 1.00 2.83 C ATOM 907 C THR A 58 4.633 1.456 -11.395 1.00 2.40 C ATOM 908 O THR A 58 3.552 1.480 -10.823 1.00 2.33 O ATOM 909 CB THR A 58 6.102 2.803 -13.006 1.00 3.99 C ATOM 910 OG1 THR A 58 7.156 1.851 -12.832 1.00 5.32 O ATOM 911 CG2 THR A 58 6.326 3.855 -11.910 1.00 4.70 C ATOM 0 H THR A 58 3.584 3.733 -12.318 1.00 2.45 H new ATOM 0 HA THR A 58 4.748 1.210 -13.526 1.00 2.83 H new ATOM 0 HB THR A 58 6.079 3.287 -13.982 1.00 3.99 H new ATOM 0 HG1 THR A 58 8.021 2.296 -12.947 1.00 5.32 H new ATOM 0 HG21 THR A 58 7.272 4.367 -12.085 1.00 4.70 H new ATOM 0 HG22 THR A 58 5.512 4.580 -11.929 1.00 4.70 H new ATOM 0 HG23 THR A 58 6.353 3.366 -10.936 1.00 4.70 H new ATOM 919 N VAL A 59 5.716 0.987 -10.839 1.00 2.51 N ATOM 920 CA VAL A 59 5.660 0.408 -9.461 1.00 2.25 C ATOM 921 C VAL A 59 6.271 1.409 -8.474 1.00 2.25 C ATOM 922 O VAL A 59 7.210 2.104 -8.812 1.00 2.80 O ATOM 923 CB VAL A 59 6.447 -0.918 -9.413 1.00 2.79 C ATOM 924 CG1 VAL A 59 5.594 -2.027 -10.031 1.00 3.41 C ATOM 925 CG2 VAL A 59 7.748 -0.788 -10.211 1.00 2.73 C ATOM 0 H VAL A 59 6.638 0.978 -11.276 1.00 2.51 H new ATOM 0 HA VAL A 59 4.623 0.210 -9.191 1.00 2.25 H new ATOM 0 HB VAL A 59 6.684 -1.156 -8.376 1.00 2.79 H new ATOM 0 HG11 VAL A 59 6.143 -2.968 -10.001 1.00 3.41 H new ATOM 0 HG12 VAL A 59 4.667 -2.130 -9.467 1.00 3.41 H new ATOM 0 HG13 VAL A 59 5.363 -1.775 -11.066 1.00 3.41 H new ATOM 0 HG21 VAL A 59 8.295 -1.730 -10.170 1.00 2.73 H new ATOM 0 HG22 VAL A 59 7.516 -0.548 -11.249 1.00 2.73 H new ATOM 0 HG23 VAL A 59 8.360 0.006 -9.783 1.00 2.73 H new ATOM 935 N PRO A 60 5.729 1.451 -7.275 1.00 1.89 N ATOM 936 CA PRO A 60 4.841 0.394 -6.723 1.00 1.77 C ATOM 937 C PRO A 60 3.360 0.636 -7.065 1.00 1.39 C ATOM 938 O PRO A 60 2.913 1.769 -7.128 1.00 1.58 O ATOM 939 CB PRO A 60 5.057 0.547 -5.220 1.00 1.93 C ATOM 940 CG PRO A 60 5.247 2.067 -5.038 1.00 1.96 C ATOM 941 CD PRO A 60 6.019 2.529 -6.293 1.00 1.89 C ATOM 0 HA PRO A 60 5.069 -0.594 -7.122 1.00 1.77 H new ATOM 0 HB2 PRO A 60 4.203 0.178 -4.652 1.00 1.93 H new ATOM 0 HB3 PRO A 60 5.930 -0.010 -4.881 1.00 1.93 H new ATOM 0 HG2 PRO A 60 4.287 2.577 -4.956 1.00 1.96 H new ATOM 0 HG3 PRO A 60 5.805 2.288 -4.128 1.00 1.96 H new ATOM 0 HD2 PRO A 60 5.673 3.501 -6.645 1.00 1.89 H new ATOM 0 HD3 PRO A 60 7.088 2.622 -6.099 1.00 1.89 H new ATOM 949 N GLN A 61 2.624 -0.418 -7.274 1.00 0.96 N ATOM 950 CA GLN A 61 1.176 -0.229 -7.571 1.00 0.67 C ATOM 951 C GLN A 61 0.433 -0.555 -6.299 1.00 0.53 C ATOM 952 O GLN A 61 0.823 -1.467 -5.588 1.00 0.64 O ATOM 953 CB GLN A 61 0.694 -1.162 -8.701 1.00 0.81 C ATOM 954 CG GLN A 61 0.434 -0.370 -9.995 1.00 1.08 C ATOM 955 CD GLN A 61 -0.288 0.952 -9.692 1.00 2.39 C ATOM 956 OE1 GLN A 61 -1.355 0.991 -9.105 1.00 3.86 O ATOM 957 NE2 GLN A 61 0.281 2.059 -10.048 1.00 3.06 N ATOM 0 H GLN A 61 2.952 -1.384 -7.253 1.00 0.96 H new ATOM 0 HA GLN A 61 0.996 0.793 -7.905 1.00 0.67 H new ATOM 0 HB2 GLN A 61 1.443 -1.932 -8.886 1.00 0.81 H new ATOM 0 HB3 GLN A 61 -0.219 -1.672 -8.392 1.00 0.81 H new ATOM 0 HG2 GLN A 61 1.379 -0.166 -10.498 1.00 1.08 H new ATOM 0 HG3 GLN A 61 -0.167 -0.969 -10.678 1.00 1.08 H new ATOM 0 HE21 GLN A 61 1.174 2.038 -10.540 1.00 3.06 H new ATOM 0 HE22 GLN A 61 -0.164 2.952 -9.837 1.00 3.06 H new ATOM 966 N ILE A 62 -0.626 0.159 -6.049 1.00 0.52 N ATOM 967 CA ILE A 62 -1.352 -0.100 -4.785 1.00 0.60 C ATOM 968 C ILE A 62 -2.833 -0.348 -4.993 1.00 0.65 C ATOM 969 O ILE A 62 -3.510 0.280 -5.802 1.00 0.66 O ATOM 970 CB ILE A 62 -1.137 1.092 -3.858 1.00 0.61 C ATOM 971 CG1 ILE A 62 0.385 1.264 -3.708 1.00 0.85 C ATOM 972 CG2 ILE A 62 -1.807 0.812 -2.497 1.00 0.71 C ATOM 973 CD1 ILE A 62 0.711 2.347 -2.688 1.00 1.50 C ATOM 0 H ILE A 62 -1.010 0.890 -6.648 1.00 0.52 H new ATOM 0 HA ILE A 62 -0.954 -1.014 -4.343 1.00 0.60 H new ATOM 0 HB ILE A 62 -1.580 2.004 -4.257 1.00 0.61 H new ATOM 0 HG12 ILE A 62 0.833 0.320 -3.398 1.00 0.85 H new ATOM 0 HG13 ILE A 62 0.823 1.523 -4.672 1.00 0.85 H new ATOM 0 HG21 ILE A 62 -1.654 1.663 -1.834 1.00 0.71 H new ATOM 0 HG22 ILE A 62 -2.875 0.654 -2.643 1.00 0.71 H new ATOM 0 HG23 ILE A 62 -1.366 -0.079 -2.051 1.00 0.71 H new ATOM 0 HD11 ILE A 62 1.793 2.450 -2.600 1.00 1.50 H new ATOM 0 HD12 ILE A 62 0.282 3.295 -3.014 1.00 1.50 H new ATOM 0 HD13 ILE A 62 0.292 2.073 -1.720 1.00 1.50 H new ATOM 985 N PHE A 63 -3.260 -1.288 -4.211 1.00 0.71 N ATOM 986 CA PHE A 63 -4.670 -1.738 -4.190 1.00 0.79 C ATOM 987 C PHE A 63 -5.091 -1.897 -2.726 1.00 0.69 C ATOM 988 O PHE A 63 -4.322 -2.431 -1.931 1.00 0.68 O ATOM 989 CB PHE A 63 -4.770 -3.103 -4.888 1.00 0.99 C ATOM 990 CG PHE A 63 -4.542 -2.951 -6.398 1.00 1.02 C ATOM 991 CD1 PHE A 63 -3.292 -2.624 -6.901 1.00 1.11 C ATOM 992 CD2 PHE A 63 -5.592 -3.112 -7.281 1.00 1.11 C ATOM 993 CE1 PHE A 63 -3.108 -2.451 -8.257 1.00 1.25 C ATOM 994 CE2 PHE A 63 -5.401 -2.947 -8.636 1.00 1.23 C ATOM 995 CZ PHE A 63 -4.164 -2.608 -9.120 1.00 1.28 C ATOM 0 H PHE A 63 -2.659 -1.786 -3.554 1.00 0.71 H new ATOM 0 HA PHE A 63 -5.311 -1.018 -4.700 1.00 0.79 H new ATOM 0 HB2 PHE A 63 -4.032 -3.787 -4.470 1.00 0.99 H new ATOM 0 HB3 PHE A 63 -5.751 -3.541 -4.704 1.00 0.99 H new ATOM 0 HD1 PHE A 63 -2.457 -2.504 -6.227 1.00 1.11 H new ATOM 0 HD2 PHE A 63 -6.572 -3.370 -6.906 1.00 1.11 H new ATOM 0 HE1 PHE A 63 -2.132 -2.192 -8.640 1.00 1.25 H new ATOM 0 HE2 PHE A 63 -6.227 -3.085 -9.318 1.00 1.23 H new ATOM 0 HZ PHE A 63 -4.020 -2.464 -10.181 1.00 1.28 H new ATOM 1005 N VAL A 64 -6.258 -1.423 -2.383 1.00 0.69 N ATOM 1006 CA VAL A 64 -6.734 -1.587 -0.971 1.00 0.70 C ATOM 1007 C VAL A 64 -7.755 -2.729 -0.977 1.00 0.79 C ATOM 1008 O VAL A 64 -8.757 -2.671 -1.675 1.00 1.08 O ATOM 1009 CB VAL A 64 -7.368 -0.277 -0.473 1.00 0.86 C ATOM 1010 CG1 VAL A 64 -7.851 -0.446 0.969 1.00 0.82 C ATOM 1011 CG2 VAL A 64 -6.298 0.815 -0.465 1.00 1.00 C ATOM 0 H VAL A 64 -6.899 -0.934 -3.008 1.00 0.69 H new ATOM 0 HA VAL A 64 -5.910 -1.820 -0.297 1.00 0.70 H new ATOM 0 HB VAL A 64 -8.201 -0.018 -1.126 1.00 0.86 H new ATOM 0 HG11 VAL A 64 -8.299 0.486 1.314 1.00 0.82 H new ATOM 0 HG12 VAL A 64 -8.593 -1.243 1.013 1.00 0.82 H new ATOM 0 HG13 VAL A 64 -7.006 -0.701 1.608 1.00 0.82 H new ATOM 0 HG21 VAL A 64 -6.735 1.750 -0.114 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -5.485 0.522 0.199 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -5.911 0.952 -1.475 1.00 1.00 H new ATOM 1021 N ASP A 65 -7.455 -3.741 -0.202 1.00 0.90 N ATOM 1022 CA ASP A 65 -8.309 -4.960 -0.105 1.00 1.18 C ATOM 1023 C ASP A 65 -8.584 -5.556 -1.490 1.00 1.26 C ATOM 1024 O ASP A 65 -7.932 -6.503 -1.899 1.00 1.89 O ATOM 1025 CB ASP A 65 -9.616 -4.624 0.634 1.00 1.45 C ATOM 1026 CG ASP A 65 -9.309 -4.555 2.140 1.00 1.61 C ATOM 1027 OD1 ASP A 65 -8.648 -3.612 2.519 1.00 2.34 O ATOM 1028 OD2 ASP A 65 -9.700 -5.479 2.826 1.00 2.60 O ATOM 0 H ASP A 65 -6.623 -3.770 0.387 1.00 0.90 H new ATOM 0 HA ASP A 65 -7.774 -5.718 0.467 1.00 1.18 H new ATOM 0 HB2 ASP A 65 -10.018 -3.673 0.283 1.00 1.45 H new ATOM 0 HB3 ASP A 65 -10.372 -5.383 0.434 1.00 1.45 H new ATOM 1033 N GLN A 66 -9.526 -5.004 -2.191 1.00 1.24 N ATOM 1034 CA GLN A 66 -9.839 -5.545 -3.548 1.00 1.40 C ATOM 1035 C GLN A 66 -10.007 -4.424 -4.579 1.00 1.13 C ATOM 1036 O GLN A 66 -10.299 -4.688 -5.727 1.00 1.48 O ATOM 1037 CB GLN A 66 -11.125 -6.384 -3.470 1.00 1.87 C ATOM 1038 CG GLN A 66 -10.939 -7.524 -2.454 1.00 2.89 C ATOM 1039 CD GLN A 66 -12.038 -8.567 -2.654 1.00 3.77 C ATOM 1040 OE1 GLN A 66 -13.211 -8.270 -2.603 1.00 4.04 O ATOM 1041 NE2 GLN A 66 -11.709 -9.801 -2.895 1.00 4.92 N ATOM 0 H GLN A 66 -10.092 -4.209 -1.893 1.00 1.24 H new ATOM 0 HA GLN A 66 -9.004 -6.166 -3.872 1.00 1.40 H new ATOM 0 HB2 GLN A 66 -11.964 -5.754 -3.175 1.00 1.87 H new ATOM 0 HB3 GLN A 66 -11.364 -6.794 -4.451 1.00 1.87 H new ATOM 0 HG2 GLN A 66 -9.959 -7.983 -2.582 1.00 2.89 H new ATOM 0 HG3 GLN A 66 -10.977 -7.130 -1.438 1.00 2.89 H new ATOM 0 HE21 GLN A 66 -10.725 -10.067 -2.941 1.00 4.92 H new ATOM 0 HE22 GLN A 66 -12.434 -10.504 -3.038 1.00 4.92 H new ATOM 1050 N GLN A 67 -9.795 -3.213 -4.163 1.00 0.83 N ATOM 1051 CA GLN A 67 -9.943 -2.069 -5.057 1.00 0.94 C ATOM 1052 C GLN A 67 -8.566 -1.524 -5.461 1.00 0.79 C ATOM 1053 O GLN A 67 -7.603 -1.653 -4.726 1.00 0.66 O ATOM 1054 CB GLN A 67 -10.710 -1.036 -4.242 1.00 1.30 C ATOM 1055 CG GLN A 67 -10.988 0.166 -5.106 1.00 1.89 C ATOM 1056 CD GLN A 67 -11.701 1.225 -4.272 1.00 3.09 C ATOM 1057 OE1 GLN A 67 -12.784 1.023 -3.769 1.00 3.50 O ATOM 1058 NE2 GLN A 67 -11.120 2.366 -4.098 1.00 4.62 N ATOM 0 H GLN A 67 -9.518 -2.975 -3.211 1.00 0.83 H new ATOM 0 HA GLN A 67 -10.460 -2.329 -5.981 1.00 0.94 H new ATOM 0 HB2 GLN A 67 -11.645 -1.462 -3.879 1.00 1.30 H new ATOM 0 HB3 GLN A 67 -10.132 -0.743 -3.366 1.00 1.30 H new ATOM 0 HG2 GLN A 67 -10.056 0.566 -5.505 1.00 1.89 H new ATOM 0 HG3 GLN A 67 -11.604 -0.118 -5.959 1.00 1.89 H new ATOM 0 HE21 GLN A 67 -10.208 2.543 -4.519 1.00 4.62 H new ATOM 0 HE22 GLN A 67 -11.574 3.089 -3.540 1.00 4.62 H new ATOM 1067 N HIS A 68 -8.528 -0.871 -6.591 1.00 1.00 N ATOM 1068 CA HIS A 68 -7.247 -0.287 -7.084 1.00 0.92 C ATOM 1069 C HIS A 68 -7.181 1.153 -6.587 1.00 0.79 C ATOM 1070 O HIS A 68 -8.217 1.766 -6.404 1.00 0.96 O ATOM 1071 CB HIS A 68 -7.253 -0.297 -8.616 1.00 1.13 C ATOM 1072 CG HIS A 68 -6.210 0.629 -9.217 1.00 1.31 C ATOM 1073 ND1 HIS A 68 -6.568 1.614 -9.983 1.00 1.59 N ATOM 1074 CD2 HIS A 68 -4.851 0.707 -9.071 1.00 1.41 C ATOM 1075 CE1 HIS A 68 -5.501 2.299 -10.314 1.00 1.77 C ATOM 1076 NE2 HIS A 68 -4.454 1.739 -9.753 1.00 1.67 N ATOM 0 H HIS A 68 -9.334 -0.716 -7.197 1.00 1.00 H new ATOM 0 HA HIS A 68 -6.391 -0.858 -6.725 1.00 0.92 H new ATOM 0 HB2 HIS A 68 -7.076 -1.313 -8.968 1.00 1.13 H new ATOM 0 HB3 HIS A 68 -8.240 -0.004 -8.972 1.00 1.13 H new ATOM 0 HD1 HIS A 68 -7.522 1.821 -10.278 1.00 1.59 H new ATOM 0 HD2 HIS A 68 -4.227 0.037 -8.498 1.00 1.41 H new ATOM 0 HE1 HIS A 68 -5.485 3.177 -10.943 1.00 1.77 H new ATOM 1084 N ILE A 69 -6.005 1.668 -6.338 1.00 0.68 N ATOM 1085 CA ILE A 69 -5.959 3.080 -5.847 1.00 0.70 C ATOM 1086 C ILE A 69 -5.198 3.947 -6.845 1.00 0.89 C ATOM 1087 O ILE A 69 -5.570 5.078 -7.085 1.00 1.06 O ATOM 1088 CB ILE A 69 -5.311 3.126 -4.450 1.00 0.70 C ATOM 1089 CG1 ILE A 69 -5.660 1.853 -3.671 1.00 0.75 C ATOM 1090 CG2 ILE A 69 -5.880 4.325 -3.668 1.00 0.78 C ATOM 1091 CD1 ILE A 69 -7.164 1.833 -3.326 1.00 0.82 C ATOM 0 H ILE A 69 -5.107 1.196 -6.447 1.00 0.68 H new ATOM 0 HA ILE A 69 -6.972 3.474 -5.761 1.00 0.70 H new ATOM 0 HB ILE A 69 -4.231 3.213 -4.566 1.00 0.70 H new ATOM 0 HG12 ILE A 69 -5.404 0.974 -4.263 1.00 0.75 H new ATOM 0 HG13 ILE A 69 -5.069 1.805 -2.756 1.00 0.75 H new ATOM 0 HG21 ILE A 69 -5.425 4.363 -2.678 1.00 0.78 H new ATOM 0 HG22 ILE A 69 -5.659 5.248 -4.205 1.00 0.78 H new ATOM 0 HG23 ILE A 69 -6.960 4.214 -3.567 1.00 0.78 H new ATOM 0 HD11 ILE A 69 -7.398 0.924 -2.773 1.00 0.82 H new ATOM 0 HD12 ILE A 69 -7.409 2.702 -2.716 1.00 0.82 H new ATOM 0 HD13 ILE A 69 -7.749 1.859 -4.246 1.00 0.82 H new ATOM 1103 N GLY A 70 -4.148 3.414 -7.411 1.00 0.98 N ATOM 1104 CA GLY A 70 -3.375 4.221 -8.414 1.00 1.30 C ATOM 1105 C GLY A 70 -1.866 4.103 -8.218 1.00 0.98 C ATOM 1106 O GLY A 70 -1.119 4.284 -9.164 1.00 2.39 O ATOM 0 H GLY A 70 -3.793 2.475 -7.231 1.00 0.98 H new ATOM 0 HA2 GLY A 70 -3.635 3.891 -9.420 1.00 1.30 H new ATOM 0 HA3 GLY A 70 -3.668 5.268 -8.337 1.00 1.30 H new ATOM 1110 N GLY A 71 -1.443 3.829 -7.016 1.00 1.48 N ATOM 1111 CA GLY A 71 0.027 3.701 -6.741 1.00 1.64 C ATOM 1112 C GLY A 71 0.356 4.536 -5.511 1.00 1.32 C ATOM 1113 O GLY A 71 -0.542 5.085 -4.915 1.00 1.61 O ATOM 0 H GLY A 71 -2.048 3.687 -6.207 1.00 1.48 H new ATOM 0 HA2 GLY A 71 0.293 2.657 -6.574 1.00 1.64 H new ATOM 0 HA3 GLY A 71 0.605 4.044 -7.599 1.00 1.64 H new ATOM 1117 N TYR A 72 1.615 4.658 -5.175 1.00 1.63 N ATOM 1118 CA TYR A 72 1.966 5.465 -3.960 1.00 1.30 C ATOM 1119 C TYR A 72 1.323 6.856 -4.001 1.00 1.14 C ATOM 1120 O TYR A 72 0.585 7.211 -3.115 1.00 1.11 O ATOM 1121 CB TYR A 72 3.487 5.648 -3.854 1.00 1.42 C ATOM 1122 CG TYR A 72 3.763 6.722 -2.788 1.00 0.94 C ATOM 1123 CD1 TYR A 72 3.367 6.533 -1.476 1.00 0.85 C ATOM 1124 CD2 TYR A 72 4.330 7.929 -3.145 1.00 1.26 C ATOM 1125 CE1 TYR A 72 3.528 7.536 -0.540 1.00 1.10 C ATOM 1126 CE2 TYR A 72 4.485 8.931 -2.212 1.00 1.43 C ATOM 1127 CZ TYR A 72 4.085 8.743 -0.903 1.00 1.36 C ATOM 1128 OH TYR A 72 4.231 9.753 0.019 1.00 2.00 O ATOM 0 H TYR A 72 2.402 4.245 -5.675 1.00 1.63 H new ATOM 0 HA TYR A 72 1.587 4.916 -3.098 1.00 1.30 H new ATOM 0 HB2 TYR A 72 3.966 4.708 -3.581 1.00 1.42 H new ATOM 0 HB3 TYR A 72 3.903 5.950 -4.815 1.00 1.42 H new ATOM 0 HD1 TYR A 72 2.928 5.592 -1.181 1.00 0.85 H new ATOM 0 HD2 TYR A 72 4.654 8.089 -4.163 1.00 1.26 H new ATOM 0 HE1 TYR A 72 3.216 7.373 0.481 1.00 1.10 H new ATOM 0 HE2 TYR A 72 4.924 9.873 -2.507 1.00 1.43 H new ATOM 0 HH TYR A 72 4.643 10.531 -0.411 1.00 2.00 H new ATOM 1138 N THR A 73 1.633 7.616 -5.007 1.00 1.35 N ATOM 1139 CA THR A 73 1.059 8.987 -5.107 1.00 1.43 C ATOM 1140 C THR A 73 -0.463 9.013 -4.919 1.00 1.23 C ATOM 1141 O THR A 73 -0.972 9.814 -4.164 1.00 1.33 O ATOM 1142 CB THR A 73 1.442 9.549 -6.486 1.00 1.83 C ATOM 1143 OG1 THR A 73 1.500 8.407 -7.355 1.00 2.07 O ATOM 1144 CG2 THR A 73 2.870 10.105 -6.479 1.00 1.95 C ATOM 0 H THR A 73 2.259 7.350 -5.767 1.00 1.35 H new ATOM 0 HA THR A 73 1.466 9.599 -4.302 1.00 1.43 H new ATOM 0 HB THR A 73 0.736 10.328 -6.775 1.00 1.83 H new ATOM 0 HG1 THR A 73 0.591 8.091 -7.541 1.00 2.07 H new ATOM 0 HG21 THR A 73 3.113 10.495 -7.467 1.00 1.95 H new ATOM 0 HG22 THR A 73 2.945 10.906 -5.744 1.00 1.95 H new ATOM 0 HG23 THR A 73 3.569 9.309 -6.221 1.00 1.95 H new ATOM 1152 N ASP A 74 -1.160 8.117 -5.559 1.00 1.15 N ATOM 1153 CA ASP A 74 -2.652 8.111 -5.440 1.00 0.93 C ATOM 1154 C ASP A 74 -3.071 7.556 -4.078 1.00 0.75 C ATOM 1155 O ASP A 74 -3.861 8.160 -3.379 1.00 0.80 O ATOM 1156 CB ASP A 74 -3.226 7.241 -6.562 1.00 0.94 C ATOM 1157 CG ASP A 74 -2.537 7.578 -7.892 1.00 1.60 C ATOM 1158 OD1 ASP A 74 -1.344 7.283 -7.984 1.00 2.53 O ATOM 1159 OD2 ASP A 74 -3.222 8.082 -8.763 1.00 2.56 O ATOM 0 H ASP A 74 -0.768 7.390 -6.158 1.00 1.15 H new ATOM 0 HA ASP A 74 -3.034 9.128 -5.526 1.00 0.93 H new ATOM 0 HB2 ASP A 74 -3.083 6.187 -6.326 1.00 0.94 H new ATOM 0 HB3 ASP A 74 -4.300 7.405 -6.647 1.00 0.94 H new ATOM 1164 N PHE A 75 -2.551 6.404 -3.750 1.00 0.70 N ATOM 1165 CA PHE A 75 -2.866 5.787 -2.437 1.00 0.66 C ATOM 1166 C PHE A 75 -2.609 6.839 -1.363 1.00 0.63 C ATOM 1167 O PHE A 75 -3.385 6.995 -0.469 1.00 0.65 O ATOM 1168 CB PHE A 75 -1.964 4.561 -2.245 1.00 0.77 C ATOM 1169 CG PHE A 75 -2.155 3.946 -0.854 1.00 0.73 C ATOM 1170 CD1 PHE A 75 -3.289 3.222 -0.548 1.00 0.80 C ATOM 1171 CD2 PHE A 75 -1.155 4.059 0.093 1.00 0.86 C ATOM 1172 CE1 PHE A 75 -3.417 2.616 0.682 1.00 0.78 C ATOM 1173 CE2 PHE A 75 -1.282 3.452 1.321 1.00 0.97 C ATOM 1174 CZ PHE A 75 -2.413 2.730 1.613 1.00 0.83 C ATOM 0 H PHE A 75 -1.919 5.864 -4.341 1.00 0.70 H new ATOM 0 HA PHE A 75 -3.904 5.459 -2.378 1.00 0.66 H new ATOM 0 HB2 PHE A 75 -2.190 3.817 -3.009 1.00 0.77 H new ATOM 0 HB3 PHE A 75 -0.921 4.849 -2.378 1.00 0.77 H new ATOM 0 HD1 PHE A 75 -4.081 3.130 -1.277 1.00 0.80 H new ATOM 0 HD2 PHE A 75 -0.266 4.629 -0.133 1.00 0.86 H new ATOM 0 HE1 PHE A 75 -4.307 2.051 0.915 1.00 0.78 H new ATOM 0 HE2 PHE A 75 -0.494 3.543 2.054 1.00 0.97 H new ATOM 0 HZ PHE A 75 -2.513 2.251 2.576 1.00 0.83 H new ATOM 1184 N ALA A 76 -1.517 7.541 -1.494 1.00 0.68 N ATOM 1185 CA ALA A 76 -1.187 8.612 -0.516 1.00 0.76 C ATOM 1186 C ALA A 76 -2.392 9.548 -0.375 1.00 0.84 C ATOM 1187 O ALA A 76 -2.956 9.678 0.696 1.00 0.88 O ATOM 1188 CB ALA A 76 0.033 9.385 -1.043 1.00 0.90 C ATOM 0 H ALA A 76 -0.835 7.416 -2.243 1.00 0.68 H new ATOM 0 HA ALA A 76 -0.956 8.188 0.461 1.00 0.76 H new ATOM 0 HB1 ALA A 76 0.293 10.177 -0.341 1.00 0.90 H new ATOM 0 HB2 ALA A 76 0.877 8.703 -1.151 1.00 0.90 H new ATOM 0 HB3 ALA A 76 -0.205 9.824 -2.012 1.00 0.90 H new ATOM 1194 N ALA A 77 -2.769 10.163 -1.471 1.00 0.93 N ATOM 1195 CA ALA A 77 -3.940 11.094 -1.439 1.00 1.08 C ATOM 1196 C ALA A 77 -5.185 10.406 -0.856 1.00 1.00 C ATOM 1197 O ALA A 77 -5.796 10.912 0.059 1.00 1.18 O ATOM 1198 CB ALA A 77 -4.239 11.567 -2.863 1.00 1.21 C ATOM 0 H ALA A 77 -2.319 10.061 -2.381 1.00 0.93 H new ATOM 0 HA ALA A 77 -3.692 11.942 -0.800 1.00 1.08 H new ATOM 0 HB1 ALA A 77 -5.091 12.246 -2.849 1.00 1.21 H new ATOM 0 HB2 ALA A 77 -3.368 12.085 -3.265 1.00 1.21 H new ATOM 0 HB3 ALA A 77 -4.471 10.707 -3.491 1.00 1.21 H new ATOM 1204 N TRP A 78 -5.555 9.283 -1.406 1.00 0.84 N ATOM 1205 CA TRP A 78 -6.763 8.561 -0.872 1.00 0.86 C ATOM 1206 C TRP A 78 -6.605 8.309 0.626 1.00 0.83 C ATOM 1207 O TRP A 78 -7.492 8.620 1.398 1.00 0.99 O ATOM 1208 CB TRP A 78 -6.901 7.207 -1.597 1.00 0.96 C ATOM 1209 CG TRP A 78 -8.044 6.299 -1.128 1.00 1.10 C ATOM 1210 CD1 TRP A 78 -9.305 6.249 -1.651 1.00 1.30 C ATOM 1211 CD2 TRP A 78 -8.088 5.431 -0.059 1.00 1.12 C ATOM 1212 NE1 TRP A 78 -10.049 5.439 -0.959 1.00 1.43 N ATOM 1213 CE2 TRP A 78 -9.367 4.903 0.031 1.00 1.33 C ATOM 1214 CE3 TRP A 78 -7.097 5.059 0.832 1.00 1.04 C ATOM 1215 CZ2 TRP A 78 -9.687 4.004 1.013 1.00 1.42 C ATOM 1216 CZ3 TRP A 78 -7.434 4.149 1.826 1.00 1.16 C ATOM 1217 CH2 TRP A 78 -8.717 3.627 1.915 1.00 1.33 C ATOM 0 H TRP A 78 -5.086 8.832 -2.192 1.00 0.84 H new ATOM 0 HA TRP A 78 -7.649 9.173 -1.041 1.00 0.86 H new ATOM 0 HB2 TRP A 78 -7.033 7.401 -2.662 1.00 0.96 H new ATOM 0 HB3 TRP A 78 -5.964 6.662 -1.486 1.00 0.96 H new ATOM 0 HD1 TRP A 78 -9.636 6.804 -2.516 1.00 1.30 H new ATOM 0 HE1 TRP A 78 -11.031 5.244 -1.157 1.00 1.43 H new ATOM 0 HE3 TRP A 78 -6.098 5.462 0.757 1.00 1.04 H new ATOM 0 HZ2 TRP A 78 -10.685 3.597 1.079 1.00 1.42 H new ATOM 0 HZ3 TRP A 78 -6.685 3.843 2.541 1.00 1.16 H new ATOM 0 HH2 TRP A 78 -8.956 2.921 2.696 1.00 1.33 H new ATOM 1228 N VAL A 79 -5.499 7.707 0.974 1.00 0.72 N ATOM 1229 CA VAL A 79 -5.198 7.405 2.396 1.00 0.74 C ATOM 1230 C VAL A 79 -5.481 8.627 3.227 1.00 0.89 C ATOM 1231 O VAL A 79 -6.315 8.614 4.111 1.00 1.05 O ATOM 1232 CB VAL A 79 -3.700 7.045 2.525 1.00 0.78 C ATOM 1233 CG1 VAL A 79 -3.131 7.503 3.885 1.00 1.10 C ATOM 1234 CG2 VAL A 79 -3.520 5.534 2.388 1.00 0.64 C ATOM 0 H VAL A 79 -4.780 7.408 0.316 1.00 0.72 H new ATOM 0 HA VAL A 79 -5.813 6.573 2.739 1.00 0.74 H new ATOM 0 HB VAL A 79 -3.159 7.560 1.731 1.00 0.78 H new ATOM 0 HG11 VAL A 79 -2.076 7.236 3.946 1.00 1.10 H new ATOM 0 HG12 VAL A 79 -3.238 8.584 3.979 1.00 1.10 H new ATOM 0 HG13 VAL A 79 -3.677 7.013 4.691 1.00 1.10 H new ATOM 0 HG21 VAL A 79 -2.463 5.284 2.479 1.00 0.64 H new ATOM 0 HG22 VAL A 79 -4.082 5.028 3.173 1.00 0.64 H new ATOM 0 HG23 VAL A 79 -3.886 5.211 1.414 1.00 0.64 H new ATOM 1244 N LYS A 80 -4.733 9.645 2.915 1.00 1.04 N ATOM 1245 CA LYS A 80 -4.832 10.928 3.620 1.00 1.40 C ATOM 1246 C LYS A 80 -6.260 11.268 4.063 1.00 1.53 C ATOM 1247 O LYS A 80 -6.471 11.605 5.208 1.00 2.23 O ATOM 1248 CB LYS A 80 -4.271 11.987 2.666 1.00 1.46 C ATOM 1249 CG LYS A 80 -4.644 13.378 3.145 1.00 1.95 C ATOM 1250 CD LYS A 80 -4.016 13.705 4.510 1.00 2.47 C ATOM 1251 CE LYS A 80 -4.803 14.851 5.173 1.00 2.75 C ATOM 1252 NZ LYS A 80 -6.083 14.362 5.759 1.00 2.92 N ATOM 0 H LYS A 80 -4.035 9.629 2.171 1.00 1.04 H new ATOM 0 HA LYS A 80 -4.264 10.884 4.549 1.00 1.40 H new ATOM 0 HB2 LYS A 80 -3.187 11.894 2.606 1.00 1.46 H new ATOM 0 HB3 LYS A 80 -4.661 11.824 1.661 1.00 1.46 H new ATOM 0 HG2 LYS A 80 -4.318 14.114 2.410 1.00 1.95 H new ATOM 0 HG3 LYS A 80 -5.729 13.458 3.216 1.00 1.95 H new ATOM 0 HD2 LYS A 80 -4.029 12.822 5.150 1.00 2.47 H new ATOM 0 HD3 LYS A 80 -2.972 13.992 4.383 1.00 2.47 H new ATOM 0 HE2 LYS A 80 -4.195 15.309 5.953 1.00 2.75 H new ATOM 0 HE3 LYS A 80 -5.011 15.626 4.435 1.00 2.75 H new ATOM 0 HZ1 LYS A 80 -6.882 14.726 5.201 1.00 2.92 H new ATOM 0 HZ2 LYS A 80 -6.096 13.322 5.745 1.00 2.92 H new ATOM 0 HZ3 LYS A 80 -6.166 14.696 6.740 1.00 2.92 H new ATOM 1266 N GLU A 81 -7.206 11.164 3.172 1.00 1.26 N ATOM 1267 CA GLU A 81 -8.594 11.536 3.547 1.00 1.75 C ATOM 1268 C GLU A 81 -9.543 10.381 3.772 1.00 1.62 C ATOM 1269 O GLU A 81 -10.746 10.580 3.729 1.00 1.73 O ATOM 1270 CB GLU A 81 -9.107 12.410 2.397 1.00 2.24 C ATOM 1271 CG GLU A 81 -9.822 13.639 2.972 1.00 3.34 C ATOM 1272 CD GLU A 81 -8.892 14.464 3.889 1.00 5.09 C ATOM 1273 OE1 GLU A 81 -7.695 14.398 3.666 1.00 5.54 O ATOM 1274 OE2 GLU A 81 -9.420 15.106 4.777 1.00 6.42 O ATOM 0 H GLU A 81 -7.079 10.842 2.213 1.00 1.26 H new ATOM 0 HA GLU A 81 -8.562 12.039 4.514 1.00 1.75 H new ATOM 0 HB2 GLU A 81 -8.276 12.722 1.764 1.00 2.24 H new ATOM 0 HB3 GLU A 81 -9.790 11.839 1.768 1.00 2.24 H new ATOM 0 HG2 GLU A 81 -10.179 14.267 2.156 1.00 3.34 H new ATOM 0 HG3 GLU A 81 -10.699 13.320 3.535 1.00 3.34 H new ATOM 1281 N ASN A 82 -9.030 9.222 4.016 1.00 1.63 N ATOM 1282 CA ASN A 82 -9.960 8.099 4.273 1.00 1.56 C ATOM 1283 C ASN A 82 -9.548 7.337 5.495 1.00 1.47 C ATOM 1284 O ASN A 82 -10.374 6.725 6.142 1.00 1.60 O ATOM 1285 CB ASN A 82 -10.058 7.162 3.056 1.00 1.45 C ATOM 1286 CG ASN A 82 -10.905 7.827 1.971 1.00 1.74 C ATOM 1287 OD1 ASN A 82 -12.097 7.644 1.885 1.00 2.20 O ATOM 1288 ND2 ASN A 82 -10.324 8.631 1.141 1.00 1.95 N ATOM 0 H ASN A 82 -8.035 9.002 4.049 1.00 1.63 H new ATOM 0 HA ASN A 82 -10.949 8.522 4.448 1.00 1.56 H new ATOM 0 HB2 ASN A 82 -9.062 6.942 2.672 1.00 1.45 H new ATOM 0 HB3 ASN A 82 -10.504 6.212 3.350 1.00 1.45 H new ATOM 0 HD21 ASN A 82 -10.871 9.104 0.422 1.00 1.95 H new ATOM 0 HD22 ASN A 82 -9.319 8.792 1.206 1.00 1.95 H new ATOM 1295 N LEU A 83 -8.290 7.384 5.788 1.00 1.38 N ATOM 1296 CA LEU A 83 -7.827 6.686 6.992 1.00 1.53 C ATOM 1297 C LEU A 83 -7.645 7.725 8.092 1.00 1.88 C ATOM 1298 O LEU A 83 -6.607 7.774 8.715 1.00 2.75 O ATOM 1299 CB LEU A 83 -6.502 5.973 6.703 1.00 1.43 C ATOM 1300 CG LEU A 83 -6.651 4.992 5.529 1.00 1.11 C ATOM 1301 CD1 LEU A 83 -5.350 4.203 5.403 1.00 1.24 C ATOM 1302 CD2 LEU A 83 -7.813 4.017 5.783 1.00 1.10 C ATOM 0 H LEU A 83 -7.573 7.871 5.250 1.00 1.38 H new ATOM 0 HA LEU A 83 -8.552 5.935 7.304 1.00 1.53 H new ATOM 0 HB2 LEU A 83 -5.732 6.709 6.472 1.00 1.43 H new ATOM 0 HB3 LEU A 83 -6.173 5.435 7.592 1.00 1.43 H new ATOM 0 HG LEU A 83 -6.860 5.546 4.614 1.00 1.11 H new ATOM 0 HD11 LEU A 83 -5.430 3.498 4.575 1.00 1.24 H new ATOM 0 HD12 LEU A 83 -4.525 4.890 5.216 1.00 1.24 H new ATOM 0 HD13 LEU A 83 -5.165 3.657 6.328 1.00 1.24 H new ATOM 0 HD21 LEU A 83 -7.903 3.331 4.941 1.00 1.10 H new ATOM 0 HD22 LEU A 83 -7.620 3.451 6.694 1.00 1.10 H new ATOM 0 HD23 LEU A 83 -8.741 4.578 5.894 1.00 1.10 H new ATOM 1314 N ASP A 84 -8.630 8.601 8.223 1.00 1.85 N ATOM 1315 CA ASP A 84 -8.592 9.635 9.294 1.00 2.17 C ATOM 1316 C ASP A 84 -7.208 10.256 9.381 1.00 3.98 C ATOM 1317 O ASP A 84 -6.708 10.572 10.449 1.00 5.03 O ATOM 1318 CB ASP A 84 -8.985 8.988 10.642 1.00 3.99 C ATOM 1319 CG ASP A 84 -8.136 7.741 10.970 1.00 4.86 C ATOM 1320 OD1 ASP A 84 -8.534 6.675 10.522 1.00 5.66 O ATOM 1321 OD2 ASP A 84 -7.134 7.905 11.657 1.00 5.37 O ATOM 0 H ASP A 84 -9.456 8.633 7.625 1.00 1.85 H new ATOM 0 HA ASP A 84 -9.302 10.427 9.058 1.00 2.17 H new ATOM 0 HB2 ASP A 84 -8.871 9.721 11.440 1.00 3.99 H new ATOM 0 HB3 ASP A 84 -10.038 8.709 10.614 1.00 3.99 H new ATOM 1326 N ALA A 85 -6.642 10.458 8.230 1.00 4.83 N ATOM 1327 CA ALA A 85 -5.272 11.058 8.211 1.00 7.30 C ATOM 1328 C ALA A 85 -5.343 12.521 7.762 1.00 7.76 C ATOM 1329 O ALA A 85 -4.299 13.059 7.431 1.00 9.04 O ATOM 1330 CB ALA A 85 -4.401 10.234 7.261 1.00 8.75 C ATOM 0 H ALA A 85 -7.049 10.243 7.320 1.00 4.83 H new ATOM 0 HA ALA A 85 -4.837 11.041 9.210 1.00 7.30 H new ATOM 0 HB1 ALA A 85 -3.396 10.655 7.232 1.00 8.75 H new ATOM 0 HB2 ALA A 85 -4.353 9.203 7.613 1.00 8.75 H new ATOM 0 HB3 ALA A 85 -4.833 10.256 6.260 1.00 8.75 H new TER 1336 ALA A 85