USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 880 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 44 GLN : amide:sc= 0.386 X(o=-0.62,f=-1) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -1.01 K(o=-0.62,f=-3.7!) USER MOD Set 2.1: B 49 LYS NZ :NH3+ 168:sc= 2.36 (180deg=1.18) USER MOD Set 2.2: B 53 SER OG : rot -118:sc= 0.881 USER MOD Set 3.1: A 64 HIS : no HE2:sc= -1.56 K(o=-1.2,f=-5.8!) USER MOD Set 3.2: B 44 GLN : amide:sc= 0.334 X(o=-1.2,f=-1.6) USER MOD Set 4.1: A 49 LYS NZ :NH3+ 168:sc= 2.28 (180deg=1.16) USER MOD Set 4.2: A 53 SER OG : rot -113:sc= 0.897 USER MOD Single : A -1 SER OG : rot -153:sc= 0.964 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.0216 (180deg=-0.255) USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0.244 (180deg=0.215) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= -0.0498 (180deg=-0.279) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.153 USER MOD Single : A 41 TYR OH : rot -32:sc= 1.18 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.634 (180deg=-1) USER MOD Single : A 46 MET CE :methyl -155:sc= -1.16 (180deg=-2.28) USER MOD Single : A 47 ASN : amide:sc=-0.00964 X(o=-0.0096,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0667 (180deg=-0.343) USER MOD Single : A 52 MET CE :methyl -113:sc= -3.1 (180deg=-4.85!) USER MOD Single : A 54 SER OG : rot -37:sc= 0.0875 USER MOD Single : A 57 ASN : amide:sc= -1.22 K(o=-1.2,f=-8.1!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00148 USER MOD Single : A 74 SER OG : rot 95:sc= -0.325! USER MOD Single : A 78 LYS NZ :NH3+ -134:sc= 0.0705 (180deg=0) USER MOD Single : A 80 MET CE :methyl -149:sc= -0.0416 (180deg=-1.78!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 SER OG : rot -144:sc= 1.04 USER MOD Single : B -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.241) USER MOD Single : B 34 LYS NZ :NH3+ -172:sc= 0.23 (180deg=0.204) USER MOD Single : B 36 LYS NZ :NH3+ -164:sc= -0.0246 (180deg=-0.247) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.144 USER MOD Single : B 41 TYR OH : rot -31:sc= 1.19 USER MOD Single : B 43 MET CE :methyl 161:sc= -0.683 (180deg=-1.08) USER MOD Single : B 46 MET CE :methyl -152:sc= -1.25 (180deg=-2.35!) USER MOD Single : B 47 ASN : amide:sc=-0.00367 X(o=-0.0037,f=0) USER MOD Single : B 50 LYS NZ :NH3+ -164:sc= -0.0774 (180deg=-0.366) USER MOD Single : B 52 MET CE :methyl -107:sc= -3.11! (180deg=-5!) USER MOD Single : B 54 SER OG : rot -43:sc= 0.078 USER MOD Single : B 57 ASN : amide:sc= -1.04 K(o=-1,f=-7.8!) USER MOD Single : B 59 SER OG : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot 105:sc= 0.501 USER MOD Single : B 78 LYS NZ :NH3+ -133:sc= 0.0754 (180deg=0) USER MOD Single : B 80 MET CE :methyl -150:sc= -0.0441 (180deg=-1.78!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -6.665 -5.620 -15.496 1.00 7.36 N ATOM 2 CA GLY A -2 -6.791 -6.640 -14.431 1.00 7.04 C ATOM 3 C GLY A -2 -5.647 -6.565 -13.447 1.00 6.49 C ATOM 4 O GLY A -2 -4.503 -6.864 -13.792 1.00 6.41 O ATOM 0 H1 GLY A -2 -7.468 -5.702 -16.152 1.00 7.36 H new ATOM 0 H2 GLY A -2 -6.662 -4.671 -15.070 1.00 7.36 H new ATOM 0 H3 GLY A -2 -5.777 -5.769 -16.016 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -7.735 -6.501 -13.903 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -6.820 -7.633 -14.880 1.00 7.04 H new ATOM 10 N SER A -1 -5.952 -6.166 -12.224 1.00 6.40 N ATOM 11 CA SER A -1 -4.938 -5.997 -11.199 1.00 6.10 C ATOM 12 C SER A -1 -4.584 -7.337 -10.562 1.00 5.78 C ATOM 13 O SER A -1 -4.933 -7.611 -9.411 1.00 6.08 O ATOM 14 CB SER A -1 -5.439 -5.021 -10.142 1.00 6.39 C ATOM 15 OG SER A -1 -5.928 -3.837 -10.749 1.00 6.63 O ATOM 0 H SER A -1 -6.901 -5.952 -11.916 1.00 6.40 H new ATOM 0 HA SER A -1 -4.035 -5.595 -11.659 1.00 6.10 H new ATOM 0 HB2 SER A -1 -6.229 -5.488 -9.554 1.00 6.39 H new ATOM 0 HB3 SER A -1 -4.631 -4.776 -9.453 1.00 6.39 H new ATOM 0 HG SER A -1 -5.845 -3.089 -10.121 1.00 6.63 H new ATOM 21 N LYS A 32 -3.909 -8.178 -11.326 1.00 5.46 N ATOM 22 CA LYS A 32 -3.494 -9.482 -10.840 1.00 5.30 C ATOM 23 C LYS A 32 -2.002 -9.686 -11.044 1.00 4.83 C ATOM 24 O LYS A 32 -1.479 -10.784 -10.854 1.00 4.65 O ATOM 25 CB LYS A 32 -4.310 -10.595 -11.523 1.00 5.58 C ATOM 26 CG LYS A 32 -4.499 -10.414 -13.029 1.00 6.00 C ATOM 27 CD LYS A 32 -3.210 -10.622 -13.812 1.00 6.38 C ATOM 28 CE LYS A 32 -2.768 -12.077 -13.812 1.00 7.09 C ATOM 29 NZ LYS A 32 -3.734 -12.953 -14.526 1.00 7.47 N ATOM 0 H LYS A 32 -3.636 -7.980 -12.289 1.00 5.46 H new ATOM 0 HA LYS A 32 -3.689 -9.530 -9.769 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -3.817 -11.550 -11.344 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -5.291 -10.650 -11.051 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -5.252 -11.117 -13.384 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -4.881 -9.412 -13.225 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -3.353 -10.287 -14.839 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -2.422 -10.004 -13.382 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -1.788 -12.158 -14.283 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -2.657 -12.422 -12.784 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -3.283 -13.865 -14.741 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -4.568 -13.112 -13.925 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -4.028 -12.495 -15.412 1.00 7.47 H new ATOM 43 N GLU A 33 -1.328 -8.611 -11.407 1.00 4.81 N ATOM 44 CA GLU A 33 0.097 -8.660 -11.696 1.00 4.46 C ATOM 45 C GLU A 33 0.884 -8.050 -10.552 1.00 3.99 C ATOM 46 O GLU A 33 0.897 -6.835 -10.373 1.00 4.06 O ATOM 47 CB GLU A 33 0.416 -7.917 -12.991 1.00 4.70 C ATOM 48 CG GLU A 33 -0.388 -8.395 -14.190 1.00 4.79 C ATOM 49 CD GLU A 33 0.035 -7.724 -15.478 1.00 4.98 C ATOM 50 OE1 GLU A 33 0.916 -8.267 -16.174 1.00 5.29 O ATOM 51 OE2 GLU A 33 -0.506 -6.648 -15.801 1.00 5.18 O ATOM 0 H GLU A 33 -1.746 -7.686 -11.510 1.00 4.81 H new ATOM 0 HA GLU A 33 0.382 -9.705 -11.815 1.00 4.46 H new ATOM 0 HB2 GLU A 33 0.231 -6.853 -12.843 1.00 4.70 H new ATOM 0 HB3 GLU A 33 1.478 -8.029 -13.210 1.00 4.70 H new ATOM 0 HG2 GLU A 33 -0.274 -9.474 -14.292 1.00 4.79 H new ATOM 0 HG3 GLU A 33 -1.446 -8.201 -14.014 1.00 4.79 H new ATOM 58 N LYS A 34 1.545 -8.898 -9.790 1.00 3.73 N ATOM 59 CA LYS A 34 2.289 -8.451 -8.626 1.00 3.43 C ATOM 60 C LYS A 34 3.670 -7.960 -9.038 1.00 3.03 C ATOM 61 O LYS A 34 4.373 -8.631 -9.799 1.00 3.00 O ATOM 62 CB LYS A 34 2.429 -9.574 -7.588 1.00 3.71 C ATOM 63 CG LYS A 34 1.111 -10.038 -6.980 1.00 4.14 C ATOM 64 CD LYS A 34 0.354 -10.975 -7.909 1.00 4.58 C ATOM 65 CE LYS A 34 -0.980 -11.394 -7.317 1.00 5.29 C ATOM 66 NZ LYS A 34 -1.672 -12.391 -8.173 1.00 5.78 N ATOM 0 H LYS A 34 1.583 -9.904 -9.955 1.00 3.73 H new ATOM 0 HA LYS A 34 1.733 -7.631 -8.172 1.00 3.43 H new ATOM 0 HB2 LYS A 34 2.919 -10.427 -8.058 1.00 3.71 H new ATOM 0 HB3 LYS A 34 3.084 -9.232 -6.787 1.00 3.71 H new ATOM 0 HG2 LYS A 34 1.306 -10.544 -6.035 1.00 4.14 H new ATOM 0 HG3 LYS A 34 0.490 -9.171 -6.755 1.00 4.14 H new ATOM 0 HD2 LYS A 34 0.189 -10.482 -8.867 1.00 4.58 H new ATOM 0 HD3 LYS A 34 0.959 -11.860 -8.106 1.00 4.58 H new ATOM 0 HE2 LYS A 34 -0.821 -11.815 -6.324 1.00 5.29 H new ATOM 0 HE3 LYS A 34 -1.615 -10.517 -7.194 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 -2.639 -12.539 -7.821 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 -1.710 -12.042 -9.152 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 -1.152 -13.291 -8.147 1.00 5.78 H new ATOM 80 N PRO A 35 4.065 -6.773 -8.561 1.00 2.87 N ATOM 81 CA PRO A 35 5.393 -6.221 -8.824 1.00 2.61 C ATOM 82 C PRO A 35 6.467 -6.985 -8.062 1.00 2.27 C ATOM 83 O PRO A 35 6.218 -7.481 -6.960 1.00 2.34 O ATOM 84 CB PRO A 35 5.291 -4.785 -8.310 1.00 2.80 C ATOM 85 CG PRO A 35 4.224 -4.827 -7.271 1.00 3.20 C ATOM 86 CD PRO A 35 3.246 -5.875 -7.723 1.00 3.15 C ATOM 0 HA PRO A 35 5.672 -6.283 -9.876 1.00 2.61 H new ATOM 0 HB2 PRO A 35 6.238 -4.447 -7.890 1.00 2.80 H new ATOM 0 HB3 PRO A 35 5.034 -4.095 -9.113 1.00 2.80 H new ATOM 0 HG2 PRO A 35 4.640 -5.077 -6.295 1.00 3.20 H new ATOM 0 HG3 PRO A 35 3.738 -3.857 -7.172 1.00 3.20 H new ATOM 0 HD2 PRO A 35 2.807 -6.405 -6.878 1.00 3.15 H new ATOM 0 HD3 PRO A 35 2.423 -5.438 -8.288 1.00 3.15 H new ATOM 94 N LYS A 36 7.655 -7.087 -8.639 1.00 2.07 N ATOM 95 CA LYS A 36 8.726 -7.823 -7.992 1.00 1.82 C ATOM 96 C LYS A 36 9.399 -6.982 -6.919 1.00 1.56 C ATOM 97 O LYS A 36 9.836 -5.853 -7.172 1.00 1.53 O ATOM 98 CB LYS A 36 9.772 -8.316 -8.993 1.00 1.80 C ATOM 99 CG LYS A 36 10.346 -7.228 -9.884 1.00 2.24 C ATOM 100 CD LYS A 36 11.417 -7.774 -10.811 1.00 2.52 C ATOM 101 CE LYS A 36 11.931 -6.706 -11.762 1.00 3.04 C ATOM 102 NZ LYS A 36 10.864 -6.204 -12.669 1.00 3.62 N ATOM 0 H LYS A 36 7.898 -6.676 -9.540 1.00 2.07 H new ATOM 0 HA LYS A 36 8.267 -8.695 -7.526 1.00 1.82 H new ATOM 0 HB2 LYS A 36 10.587 -8.789 -8.445 1.00 1.80 H new ATOM 0 HB3 LYS A 36 9.322 -9.085 -9.622 1.00 1.80 H new ATOM 0 HG2 LYS A 36 9.546 -6.780 -10.474 1.00 2.24 H new ATOM 0 HG3 LYS A 36 10.768 -6.435 -9.266 1.00 2.24 H new ATOM 0 HD2 LYS A 36 12.245 -8.165 -10.220 1.00 2.52 H new ATOM 0 HD3 LYS A 36 11.012 -8.608 -11.384 1.00 2.52 H new ATOM 0 HE2 LYS A 36 12.338 -5.874 -11.187 1.00 3.04 H new ATOM 0 HE3 LYS A 36 12.749 -7.113 -12.356 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 11.296 -5.678 -13.455 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 10.323 -7.008 -13.046 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 10.227 -5.575 -12.140 1.00 3.62 H new ATOM 116 N PRO A 37 9.456 -7.518 -5.700 1.00 1.50 N ATOM 117 CA PRO A 37 10.162 -6.885 -4.596 1.00 1.33 C ATOM 118 C PRO A 37 11.672 -6.893 -4.809 1.00 1.14 C ATOM 119 O PRO A 37 12.317 -7.942 -4.765 1.00 1.27 O ATOM 120 CB PRO A 37 9.793 -7.743 -3.388 1.00 1.52 C ATOM 121 CG PRO A 37 9.387 -9.057 -3.949 1.00 1.74 C ATOM 122 CD PRO A 37 8.810 -8.778 -5.300 1.00 1.75 C ATOM 0 HA PRO A 37 9.886 -5.836 -4.484 1.00 1.33 H new ATOM 0 HB2 PRO A 37 10.639 -7.850 -2.709 1.00 1.52 H new ATOM 0 HB3 PRO A 37 8.981 -7.291 -2.818 1.00 1.52 H new ATOM 0 HG2 PRO A 37 10.242 -9.729 -4.023 1.00 1.74 H new ATOM 0 HG3 PRO A 37 8.654 -9.544 -3.306 1.00 1.74 H new ATOM 0 HD2 PRO A 37 9.029 -9.582 -6.003 1.00 1.75 H new ATOM 0 HD3 PRO A 37 7.725 -8.677 -5.259 1.00 1.75 H new ATOM 130 N THR A 38 12.221 -5.722 -5.067 1.00 0.97 N ATOM 131 CA THR A 38 13.650 -5.566 -5.256 1.00 0.83 C ATOM 132 C THR A 38 14.186 -4.529 -4.279 1.00 0.72 C ATOM 133 O THR A 38 13.397 -3.826 -3.643 1.00 0.65 O ATOM 134 CB THR A 38 13.966 -5.115 -6.698 1.00 0.79 C ATOM 135 OG1 THR A 38 13.224 -3.925 -7.006 1.00 0.85 O ATOM 136 CG2 THR A 38 13.625 -6.207 -7.702 1.00 0.95 C ATOM 0 H THR A 38 11.691 -4.855 -5.151 1.00 0.97 H new ATOM 0 HA THR A 38 14.127 -6.529 -5.076 1.00 0.83 H new ATOM 0 HB THR A 38 15.035 -4.911 -6.766 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.428 -3.640 -7.921 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.858 -5.861 -8.709 1.00 0.95 H new ATOM 0 HG22 THR A 38 14.209 -7.100 -7.481 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.563 -6.443 -7.636 1.00 0.95 H new ATOM 144 N PRO A 39 15.514 -4.418 -4.118 1.00 0.74 N ATOM 145 CA PRO A 39 16.102 -3.332 -3.338 1.00 0.70 C ATOM 146 C PRO A 39 15.588 -1.976 -3.808 1.00 0.62 C ATOM 147 O PRO A 39 15.183 -1.148 -2.999 1.00 0.56 O ATOM 148 CB PRO A 39 17.595 -3.461 -3.608 1.00 0.78 C ATOM 149 CG PRO A 39 17.795 -4.901 -3.935 1.00 0.87 C ATOM 150 CD PRO A 39 16.537 -5.347 -4.634 1.00 0.83 C ATOM 0 HA PRO A 39 15.852 -3.396 -2.279 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.905 -2.820 -4.433 1.00 0.78 H new ATOM 0 HB3 PRO A 39 18.182 -3.167 -2.738 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.667 -5.038 -4.575 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.968 -5.486 -3.032 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.633 -5.278 -5.718 1.00 0.83 H new ATOM 0 HD3 PRO A 39 16.293 -6.384 -4.401 1.00 0.83 H new ATOM 158 N ASP A 40 15.571 -1.776 -5.127 1.00 0.66 N ATOM 159 CA ASP A 40 15.027 -0.554 -5.725 1.00 0.64 C ATOM 160 C ASP A 40 13.599 -0.322 -5.257 1.00 0.58 C ATOM 161 O ASP A 40 13.217 0.797 -4.914 1.00 0.58 O ATOM 162 CB ASP A 40 15.041 -0.634 -7.254 1.00 0.72 C ATOM 163 CG ASP A 40 16.435 -0.600 -7.838 1.00 1.44 C ATOM 164 OD1 ASP A 40 16.892 0.491 -8.240 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.076 -1.665 -7.910 1.00 2.15 O ATOM 0 H ASP A 40 15.930 -2.448 -5.805 1.00 0.66 H new ATOM 0 HA ASP A 40 15.658 0.275 -5.406 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.544 -1.552 -7.568 1.00 0.72 H new ATOM 0 HB3 ASP A 40 14.463 0.196 -7.660 1.00 0.72 H new ATOM 170 N TYR A 41 12.817 -1.393 -5.240 1.00 0.57 N ATOM 171 CA TYR A 41 11.432 -1.333 -4.800 1.00 0.54 C ATOM 172 C TYR A 41 11.365 -0.899 -3.337 1.00 0.46 C ATOM 173 O TYR A 41 10.466 -0.156 -2.938 1.00 0.43 O ATOM 174 CB TYR A 41 10.776 -2.708 -4.984 1.00 0.61 C ATOM 175 CG TYR A 41 9.271 -2.727 -4.819 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.688 -2.888 -3.568 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.434 -2.596 -5.920 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.313 -2.919 -3.420 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.060 -2.623 -5.779 1.00 0.88 C ATOM 180 CZ TYR A 41 6.505 -2.786 -4.528 1.00 0.73 C ATOM 181 OH TYR A 41 5.137 -2.808 -4.386 1.00 0.81 O ATOM 0 H TYR A 41 13.123 -2.322 -5.529 1.00 0.57 H new ATOM 0 HA TYR A 41 10.893 -0.600 -5.400 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.022 -3.081 -5.978 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.214 -3.402 -4.266 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.319 -2.991 -2.697 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.865 -2.471 -6.903 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.875 -3.047 -2.441 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.424 -2.517 -6.645 1.00 0.88 H new ATOM 0 HH TYR A 41 4.895 -3.394 -3.639 1.00 0.81 H new ATOM 191 N LEU A 42 12.342 -1.338 -2.554 1.00 0.44 N ATOM 192 CA LEU A 42 12.375 -1.034 -1.131 1.00 0.39 C ATOM 193 C LEU A 42 12.931 0.366 -0.872 1.00 0.37 C ATOM 194 O LEU A 42 12.507 1.037 0.066 1.00 0.34 O ATOM 195 CB LEU A 42 13.209 -2.077 -0.381 1.00 0.43 C ATOM 196 CG LEU A 42 13.360 -1.831 1.125 1.00 0.41 C ATOM 197 CD1 LEU A 42 12.005 -1.842 1.811 1.00 0.37 C ATOM 198 CD2 LEU A 42 14.278 -2.869 1.746 1.00 0.48 C ATOM 0 H LEU A 42 13.123 -1.907 -2.882 1.00 0.44 H new ATOM 0 HA LEU A 42 11.350 -1.064 -0.762 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.755 -3.057 -0.529 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.202 -2.115 -0.828 1.00 0.43 H new ATOM 0 HG LEU A 42 13.806 -0.847 1.265 1.00 0.41 H new ATOM 0 HD11 LEU A 42 12.136 -1.666 2.879 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.377 -1.058 1.388 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.528 -2.810 1.659 1.00 0.37 H new ATOM 0 HD21 LEU A 42 14.373 -2.678 2.815 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.860 -3.864 1.591 1.00 0.48 H new ATOM 0 HD23 LEU A 42 15.261 -2.812 1.279 1.00 0.48 H new ATOM 210 N MET A 43 13.846 0.824 -1.720 1.00 0.40 N ATOM 211 CA MET A 43 14.509 2.106 -1.494 1.00 0.40 C ATOM 212 C MET A 43 13.529 3.231 -1.762 1.00 0.37 C ATOM 213 O MET A 43 13.526 4.259 -1.084 1.00 0.36 O ATOM 214 CB MET A 43 15.737 2.277 -2.397 1.00 0.47 C ATOM 215 CG MET A 43 16.828 1.228 -2.215 1.00 0.63 C ATOM 216 SD MET A 43 17.401 1.062 -0.511 1.00 0.85 S ATOM 217 CE MET A 43 16.480 -0.380 0.022 1.00 0.55 C ATOM 0 H MET A 43 14.144 0.333 -2.563 1.00 0.40 H new ATOM 0 HA MET A 43 14.846 2.133 -0.458 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.409 2.260 -3.436 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.168 3.261 -2.215 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.453 0.264 -2.558 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.676 1.485 -2.850 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.954 -0.809 0.905 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.458 -0.090 0.264 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.467 -1.120 -0.778 1.00 0.55 H new ATOM 227 N GLN A 44 12.678 3.005 -2.753 1.00 0.36 N ATOM 228 CA GLN A 44 11.633 3.953 -3.100 1.00 0.35 C ATOM 229 C GLN A 44 10.625 4.042 -1.965 1.00 0.30 C ATOM 230 O GLN A 44 10.168 5.127 -1.605 1.00 0.30 O ATOM 231 CB GLN A 44 10.934 3.526 -4.388 1.00 0.42 C ATOM 232 CG GLN A 44 11.824 3.591 -5.618 1.00 0.52 C ATOM 233 CD GLN A 44 11.192 2.931 -6.826 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.460 3.562 -7.583 1.00 0.91 O ATOM 235 NE2 GLN A 44 11.469 1.652 -7.012 1.00 0.75 N ATOM 0 H GLN A 44 12.693 2.166 -3.334 1.00 0.36 H new ATOM 0 HA GLN A 44 12.083 4.933 -3.259 1.00 0.35 H new ATOM 0 HB2 GLN A 44 10.566 2.507 -4.270 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.064 4.163 -4.547 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.042 4.633 -5.850 1.00 0.52 H new ATOM 0 HG3 GLN A 44 12.776 3.107 -5.400 1.00 0.52 H new ATOM 0 HE21 GLN A 44 12.082 1.163 -6.360 1.00 0.75 H new ATOM 0 HE22 GLN A 44 11.070 1.154 -7.808 1.00 0.75 H new ATOM 244 N LEU A 45 10.306 2.887 -1.390 1.00 0.27 N ATOM 245 CA LEU A 45 9.385 2.811 -0.265 1.00 0.25 C ATOM 246 C LEU A 45 9.920 3.556 0.947 1.00 0.23 C ATOM 247 O LEU A 45 9.149 4.124 1.724 1.00 0.23 O ATOM 248 CB LEU A 45 9.127 1.353 0.109 1.00 0.29 C ATOM 249 CG LEU A 45 8.067 0.644 -0.726 1.00 0.32 C ATOM 250 CD1 LEU A 45 8.004 -0.834 -0.372 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.715 1.296 -0.498 1.00 0.31 C ATOM 0 H LEU A 45 10.676 1.985 -1.689 1.00 0.27 H new ATOM 0 HA LEU A 45 8.452 3.283 -0.573 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.063 0.802 0.022 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.829 1.311 1.157 1.00 0.29 H new ATOM 0 HG LEU A 45 8.335 0.731 -1.779 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.241 -1.321 -0.979 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.972 -1.296 -0.566 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.754 -0.945 0.683 1.00 0.38 H new ATOM 0 HD21 LEU A 45 5.960 0.787 -1.097 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.450 1.225 0.557 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.763 2.345 -0.791 1.00 0.31 H new ATOM 263 N MET A 46 11.240 3.566 1.102 1.00 0.26 N ATOM 264 CA MET A 46 11.857 4.207 2.252 1.00 0.28 C ATOM 265 C MET A 46 11.567 5.695 2.254 1.00 0.27 C ATOM 266 O MET A 46 11.389 6.295 3.313 1.00 0.41 O ATOM 267 CB MET A 46 13.369 4.002 2.282 1.00 0.33 C ATOM 268 CG MET A 46 13.809 2.553 2.395 1.00 0.39 C ATOM 269 SD MET A 46 15.562 2.391 2.802 1.00 0.49 S ATOM 270 CE MET A 46 16.296 3.523 1.622 1.00 0.49 C ATOM 0 H MET A 46 11.897 3.140 0.449 1.00 0.26 H new ATOM 0 HA MET A 46 11.426 3.740 3.137 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.798 4.429 1.375 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.781 4.560 3.123 1.00 0.33 H new ATOM 0 HG2 MET A 46 13.214 2.055 3.161 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.609 2.042 1.453 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.328 3.229 1.429 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.730 3.495 0.691 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.277 4.534 2.028 1.00 0.49 H new ATOM 280 N ASN A 47 11.501 6.297 1.072 1.00 0.24 N ATOM 281 CA ASN A 47 11.269 7.728 0.974 1.00 0.30 C ATOM 282 C ASN A 47 9.786 8.028 1.107 1.00 0.26 C ATOM 283 O ASN A 47 9.403 9.093 1.577 1.00 0.27 O ATOM 284 CB ASN A 47 11.803 8.266 -0.360 1.00 0.42 C ATOM 285 CG ASN A 47 11.473 9.735 -0.586 1.00 0.80 C ATOM 286 OD1 ASN A 47 12.200 10.622 -0.138 1.00 1.61 O ATOM 287 ND2 ASN A 47 10.393 10.002 -1.307 1.00 1.42 N ATOM 0 H ASN A 47 11.604 5.819 0.177 1.00 0.24 H new ATOM 0 HA ASN A 47 11.801 8.224 1.786 1.00 0.30 H new ATOM 0 HB2 ASN A 47 12.884 8.134 -0.392 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.386 7.676 -1.176 1.00 0.42 H new ATOM 0 HD21 ASN A 47 10.140 10.970 -1.508 1.00 1.42 H new ATOM 0 HD22 ASN A 47 9.815 9.240 -1.661 1.00 1.42 H new ATOM 294 N ASP A 48 8.952 7.063 0.740 1.00 0.24 N ATOM 295 CA ASP A 48 7.508 7.257 0.753 1.00 0.24 C ATOM 296 C ASP A 48 6.988 7.262 2.185 1.00 0.25 C ATOM 297 O ASP A 48 6.268 8.177 2.589 1.00 0.30 O ATOM 298 CB ASP A 48 6.793 6.158 -0.045 1.00 0.25 C ATOM 299 CG ASP A 48 6.899 6.323 -1.554 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.178 7.447 -2.028 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.672 5.329 -2.281 1.00 0.74 O ATOM 0 H ASP A 48 9.251 6.138 0.430 1.00 0.24 H new ATOM 0 HA ASP A 48 7.299 8.219 0.285 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.209 5.190 0.235 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.740 6.145 0.236 1.00 0.25 H new ATOM 306 N LYS A 49 7.374 6.245 2.959 1.00 0.22 N ATOM 307 CA LYS A 49 6.944 6.135 4.352 1.00 0.27 C ATOM 308 C LYS A 49 7.508 7.281 5.182 1.00 0.32 C ATOM 309 O LYS A 49 6.943 7.671 6.202 1.00 0.44 O ATOM 310 CB LYS A 49 7.390 4.804 4.964 1.00 0.31 C ATOM 311 CG LYS A 49 6.278 4.076 5.706 1.00 0.59 C ATOM 312 CD LYS A 49 5.518 5.003 6.637 1.00 0.92 C ATOM 313 CE LYS A 49 6.185 5.141 7.993 1.00 1.45 C ATOM 314 NZ LYS A 49 5.427 6.066 8.874 1.00 2.10 N ATOM 0 H LYS A 49 7.982 5.489 2.645 1.00 0.22 H new ATOM 0 HA LYS A 49 5.855 6.182 4.361 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.771 4.159 4.173 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.216 4.987 5.652 1.00 0.31 H new ATOM 0 HG2 LYS A 49 5.587 3.638 4.986 1.00 0.59 H new ATOM 0 HG3 LYS A 49 6.703 3.253 6.281 1.00 0.59 H new ATOM 0 HD2 LYS A 49 5.434 5.987 6.175 1.00 0.92 H new ATOM 0 HD3 LYS A 49 4.504 4.626 6.771 1.00 0.92 H new ATOM 0 HE2 LYS A 49 6.258 4.162 8.466 1.00 1.45 H new ATOM 0 HE3 LYS A 49 7.203 5.509 7.865 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 5.782 5.987 9.848 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 5.550 7.043 8.539 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 4.418 5.817 8.852 1.00 2.10 H new ATOM 328 N LYS A 50 8.604 7.839 4.719 1.00 0.30 N ATOM 329 CA LYS A 50 9.264 8.911 5.438 1.00 0.37 C ATOM 330 C LYS A 50 8.592 10.227 5.085 1.00 0.39 C ATOM 331 O LYS A 50 8.315 11.059 5.952 1.00 0.43 O ATOM 332 CB LYS A 50 10.750 8.953 5.072 1.00 0.42 C ATOM 333 CG LYS A 50 11.565 9.938 5.895 1.00 1.14 C ATOM 334 CD LYS A 50 11.619 9.536 7.361 1.00 1.67 C ATOM 335 CE LYS A 50 12.510 10.470 8.165 1.00 2.35 C ATOM 336 NZ LYS A 50 13.910 10.484 7.661 1.00 3.05 N ATOM 0 H LYS A 50 9.059 7.569 3.847 1.00 0.30 H new ATOM 0 HA LYS A 50 9.183 8.740 6.511 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.172 7.956 5.196 1.00 0.42 H new ATOM 0 HB3 LYS A 50 10.846 9.211 4.017 1.00 0.42 H new ATOM 0 HG2 LYS A 50 12.578 9.996 5.496 1.00 1.14 H new ATOM 0 HG3 LYS A 50 11.130 10.934 5.806 1.00 1.14 H new ATOM 0 HD2 LYS A 50 10.612 9.544 7.778 1.00 1.67 H new ATOM 0 HD3 LYS A 50 11.991 8.515 7.445 1.00 1.67 H new ATOM 0 HE2 LYS A 50 12.102 11.480 8.127 1.00 2.35 H new ATOM 0 HE3 LYS A 50 12.505 10.163 9.211 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.531 10.921 8.372 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 14.224 9.509 7.480 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 13.956 11.032 6.778 1.00 3.05 H new ATOM 350 N LEU A 51 8.317 10.385 3.795 1.00 0.38 N ATOM 351 CA LEU A 51 7.668 11.571 3.268 1.00 0.44 C ATOM 352 C LEU A 51 6.270 11.745 3.847 1.00 0.42 C ATOM 353 O LEU A 51 5.884 12.854 4.214 1.00 0.47 O ATOM 354 CB LEU A 51 7.590 11.474 1.744 1.00 0.48 C ATOM 355 CG LEU A 51 7.141 12.737 1.024 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.118 13.868 1.290 1.00 1.10 C ATOM 357 CD2 LEU A 51 7.019 12.472 -0.467 1.00 1.22 C ATOM 0 H LEU A 51 8.541 9.688 3.085 1.00 0.38 H new ATOM 0 HA LEU A 51 8.260 12.440 3.555 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.573 11.192 1.366 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.905 10.667 1.484 1.00 0.48 H new ATOM 0 HG LEU A 51 6.163 13.033 1.403 1.00 0.70 H new ATOM 0 HD11 LEU A 51 7.786 14.766 0.769 1.00 1.10 H new ATOM 0 HD12 LEU A 51 8.163 14.065 2.361 1.00 1.10 H new ATOM 0 HD13 LEU A 51 9.108 13.586 0.931 1.00 1.10 H new ATOM 0 HD21 LEU A 51 6.697 13.382 -0.973 1.00 1.22 H new ATOM 0 HD22 LEU A 51 7.986 12.160 -0.861 1.00 1.22 H new ATOM 0 HD23 LEU A 51 6.286 11.683 -0.638 1.00 1.22 H new ATOM 369 N MET A 52 5.516 10.653 3.949 1.00 0.39 N ATOM 370 CA MET A 52 4.147 10.727 4.448 1.00 0.37 C ATOM 371 C MET A 52 4.129 11.158 5.912 1.00 0.41 C ATOM 372 O MET A 52 3.195 11.818 6.364 1.00 0.47 O ATOM 373 CB MET A 52 3.421 9.382 4.274 1.00 0.33 C ATOM 374 CG MET A 52 4.023 8.236 5.069 1.00 1.29 C ATOM 375 SD MET A 52 3.169 6.671 4.791 1.00 1.25 S ATOM 376 CE MET A 52 3.436 6.428 3.035 1.00 0.31 C ATOM 0 H MET A 52 5.827 9.715 3.695 1.00 0.39 H new ATOM 0 HA MET A 52 3.617 11.476 3.860 1.00 0.37 H new ATOM 0 HB2 MET A 52 2.379 9.505 4.569 1.00 0.33 H new ATOM 0 HB3 MET A 52 3.424 9.116 3.217 1.00 0.33 H new ATOM 0 HG2 MET A 52 5.073 8.125 4.800 1.00 1.29 H new ATOM 0 HG3 MET A 52 3.990 8.479 6.131 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.485 6.504 2.508 1.00 0.31 H new ATOM 0 HE2 MET A 52 4.119 7.191 2.662 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.867 5.441 2.866 1.00 0.31 H new ATOM 386 N SER A 53 5.178 10.811 6.642 1.00 0.40 N ATOM 387 CA SER A 53 5.295 11.196 8.034 1.00 0.47 C ATOM 388 C SER A 53 5.904 12.594 8.163 1.00 0.50 C ATOM 389 O SER A 53 6.014 13.137 9.262 1.00 0.62 O ATOM 390 CB SER A 53 6.132 10.159 8.779 1.00 0.52 C ATOM 391 OG SER A 53 5.533 8.875 8.687 1.00 1.15 O ATOM 0 H SER A 53 5.961 10.261 6.289 1.00 0.40 H new ATOM 0 HA SER A 53 4.301 11.232 8.480 1.00 0.47 H new ATOM 0 HB2 SER A 53 7.138 10.128 8.361 1.00 0.52 H new ATOM 0 HB3 SER A 53 6.230 10.447 9.826 1.00 0.52 H new ATOM 0 HG SER A 53 5.224 8.594 9.574 1.00 1.15 H new ATOM 397 N SER A 54 6.285 13.178 7.033 1.00 0.49 N ATOM 398 CA SER A 54 6.805 14.539 7.007 1.00 0.53 C ATOM 399 C SER A 54 5.716 15.486 6.501 1.00 0.53 C ATOM 400 O SER A 54 5.867 16.706 6.518 1.00 0.53 O ATOM 401 CB SER A 54 8.047 14.613 6.110 1.00 0.60 C ATOM 402 OG SER A 54 8.725 15.853 6.253 1.00 1.30 O ATOM 0 H SER A 54 6.243 12.727 6.119 1.00 0.49 H new ATOM 0 HA SER A 54 7.096 14.838 8.014 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.725 13.797 6.359 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.753 14.477 5.069 1.00 0.60 H new ATOM 0 HG SER A 54 8.070 16.572 6.371 1.00 1.30 H new ATOM 408 N LEU A 55 4.619 14.895 6.050 1.00 0.54 N ATOM 409 CA LEU A 55 3.469 15.656 5.585 1.00 0.57 C ATOM 410 C LEU A 55 2.433 15.774 6.697 1.00 0.65 C ATOM 411 O LEU A 55 1.891 14.770 7.159 1.00 0.65 O ATOM 412 CB LEU A 55 2.848 14.999 4.347 1.00 0.51 C ATOM 413 CG LEU A 55 3.734 14.980 3.097 1.00 0.53 C ATOM 414 CD1 LEU A 55 3.037 14.250 1.959 1.00 0.56 C ATOM 415 CD2 LEU A 55 4.097 16.396 2.673 1.00 0.64 C ATOM 0 H LEU A 55 4.501 13.883 5.996 1.00 0.54 H new ATOM 0 HA LEU A 55 3.806 16.655 5.309 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.581 13.972 4.597 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.921 15.520 4.107 1.00 0.51 H new ATOM 0 HG LEU A 55 4.653 14.447 3.340 1.00 0.53 H new ATOM 0 HD11 LEU A 55 3.681 14.247 1.080 1.00 0.56 H new ATOM 0 HD12 LEU A 55 2.828 13.223 2.259 1.00 0.56 H new ATOM 0 HD13 LEU A 55 2.101 14.756 1.721 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.726 16.359 1.784 1.00 0.64 H new ATOM 0 HD22 LEU A 55 3.187 16.954 2.451 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.638 16.890 3.480 1.00 0.64 H new ATOM 427 N PRO A 56 2.143 17.005 7.147 1.00 0.81 N ATOM 428 CA PRO A 56 1.215 17.244 8.254 1.00 0.94 C ATOM 429 C PRO A 56 -0.243 17.123 7.823 1.00 0.88 C ATOM 430 O PRO A 56 -1.150 17.096 8.653 1.00 1.19 O ATOM 431 CB PRO A 56 1.537 18.676 8.673 1.00 1.14 C ATOM 432 CG PRO A 56 2.025 19.336 7.428 1.00 1.26 C ATOM 433 CD PRO A 56 2.695 18.263 6.608 1.00 0.98 C ATOM 0 HA PRO A 56 1.332 16.514 9.055 1.00 0.94 H new ATOM 0 HB2 PRO A 56 0.655 19.180 9.069 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.295 18.698 9.456 1.00 1.14 H new ATOM 0 HG2 PRO A 56 1.198 19.785 6.878 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.725 20.138 7.663 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.472 18.374 5.547 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.779 18.300 6.712 1.00 0.98 H new ATOM 441 N ASN A 57 -0.456 17.052 6.521 1.00 0.63 N ATOM 442 CA ASN A 57 -1.796 16.906 5.971 1.00 0.62 C ATOM 443 C ASN A 57 -2.127 15.432 5.756 1.00 0.57 C ATOM 444 O ASN A 57 -3.299 15.051 5.692 1.00 0.59 O ATOM 445 CB ASN A 57 -1.935 17.685 4.654 1.00 0.68 C ATOM 446 CG ASN A 57 -0.804 17.418 3.666 1.00 1.32 C ATOM 447 OD1 ASN A 57 -0.185 16.356 3.674 1.00 2.22 O ATOM 448 ND2 ASN A 57 -0.526 18.388 2.811 1.00 1.73 N ATOM 0 H ASN A 57 0.284 17.093 5.820 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.505 17.321 6.688 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -2.884 17.425 4.186 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -1.970 18.752 4.874 1.00 0.68 H new ATOM 0 HD21 ASN A 57 0.223 18.268 2.129 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -1.061 19.256 2.833 1.00 1.73 H new ATOM 455 N PHE A 58 -1.077 14.619 5.660 1.00 0.62 N ATOM 456 CA PHE A 58 -1.207 13.188 5.396 1.00 0.70 C ATOM 457 C PHE A 58 -2.191 12.516 6.344 1.00 0.90 C ATOM 458 O PHE A 58 -3.018 11.733 5.911 1.00 1.77 O ATOM 459 CB PHE A 58 0.150 12.495 5.491 1.00 0.69 C ATOM 460 CG PHE A 58 0.091 11.018 5.209 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.198 10.557 3.935 1.00 0.89 C ATOM 462 CD2 PHE A 58 0.332 10.094 6.212 1.00 1.13 C ATOM 463 CE1 PHE A 58 -0.244 9.203 3.666 1.00 0.90 C ATOM 464 CE2 PHE A 58 0.284 8.738 5.948 1.00 1.15 C ATOM 465 CZ PHE A 58 -0.003 8.294 4.673 1.00 0.69 C ATOM 0 H PHE A 58 -0.112 14.934 5.763 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.595 13.089 4.382 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.838 12.964 4.788 1.00 0.69 H new ATOM 0 HB3 PHE A 58 0.559 12.650 6.489 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.390 11.265 3.142 1.00 0.89 H new ATOM 0 HD2 PHE A 58 0.560 10.436 7.211 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.469 8.857 2.668 1.00 0.90 H new ATOM 0 HE2 PHE A 58 0.471 8.027 6.739 1.00 1.15 H new ATOM 0 HZ PHE A 58 -0.039 7.235 4.465 1.00 0.69 H new ATOM 475 N SER A 59 -2.081 12.812 7.631 1.00 0.91 N ATOM 476 CA SER A 59 -2.970 12.238 8.638 1.00 1.02 C ATOM 477 C SER A 59 -4.453 12.254 8.231 1.00 1.10 C ATOM 478 O SER A 59 -5.206 11.359 8.616 1.00 1.84 O ATOM 479 CB SER A 59 -2.781 12.977 9.962 1.00 1.21 C ATOM 480 OG SER A 59 -2.827 14.382 9.772 1.00 1.84 O ATOM 0 H SER A 59 -1.380 13.451 8.007 1.00 0.91 H new ATOM 0 HA SER A 59 -2.695 11.188 8.742 1.00 1.02 H new ATOM 0 HB2 SER A 59 -3.558 12.676 10.665 1.00 1.21 H new ATOM 0 HB3 SER A 59 -1.825 12.698 10.405 1.00 1.21 H new ATOM 0 HG SER A 59 -2.705 14.833 10.634 1.00 1.84 H new ATOM 486 N GLY A 60 -4.880 13.255 7.460 1.00 0.91 N ATOM 487 CA GLY A 60 -6.278 13.354 7.086 1.00 0.87 C ATOM 488 C GLY A 60 -6.640 12.565 5.841 1.00 0.66 C ATOM 489 O GLY A 60 -7.757 12.062 5.732 1.00 0.73 O ATOM 0 H GLY A 60 -4.283 13.995 7.091 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.892 13.005 7.916 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.527 14.403 6.925 1.00 0.87 H new ATOM 493 N ILE A 61 -5.713 12.438 4.899 1.00 0.50 N ATOM 494 CA ILE A 61 -6.015 11.733 3.658 1.00 0.54 C ATOM 495 C ILE A 61 -5.246 10.427 3.589 1.00 0.73 C ATOM 496 O ILE A 61 -4.251 10.251 4.279 1.00 1.81 O ATOM 497 CB ILE A 61 -5.733 12.563 2.371 1.00 0.58 C ATOM 498 CG1 ILE A 61 -4.231 12.662 2.035 1.00 0.64 C ATOM 499 CG2 ILE A 61 -6.342 13.954 2.492 1.00 0.79 C ATOM 500 CD1 ILE A 61 -3.480 13.699 2.828 1.00 0.78 C ATOM 0 H ILE A 61 -4.764 12.806 4.967 1.00 0.50 H new ATOM 0 HA ILE A 61 -7.089 11.547 3.684 1.00 0.54 H new ATOM 0 HB ILE A 61 -6.205 12.030 1.545 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.769 11.689 2.204 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -4.123 12.886 0.974 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -6.136 14.522 1.584 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -7.420 13.869 2.630 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -5.906 14.469 3.348 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -2.432 13.699 2.527 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -3.911 14.682 2.642 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -3.552 13.467 3.891 1.00 0.78 H new ATOM 512 N PHE A 62 -5.724 9.509 2.767 1.00 0.58 N ATOM 513 CA PHE A 62 -5.047 8.233 2.557 1.00 0.50 C ATOM 514 C PHE A 62 -5.059 7.409 3.840 1.00 0.51 C ATOM 515 O PHE A 62 -4.049 7.296 4.537 1.00 0.76 O ATOM 516 CB PHE A 62 -3.607 8.450 2.087 1.00 0.50 C ATOM 517 CG PHE A 62 -3.475 9.265 0.834 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.530 9.396 -0.054 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.284 9.893 0.542 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.391 10.136 -1.206 1.00 0.53 C ATOM 521 CE2 PHE A 62 -2.142 10.637 -0.607 1.00 0.68 C ATOM 522 CZ PHE A 62 -3.193 10.757 -1.479 1.00 0.59 C ATOM 0 H PHE A 62 -6.583 9.621 2.229 1.00 0.58 H new ATOM 0 HA PHE A 62 -5.584 7.688 1.781 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.049 8.940 2.884 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -3.142 7.478 1.923 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.472 8.912 0.160 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.451 9.800 1.223 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -5.219 10.229 -1.893 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -1.203 11.126 -0.822 1.00 0.68 H new ATOM 0 HZ PHE A 62 -3.081 11.340 -2.381 1.00 0.59 H new ATOM 532 N THR A 63 -6.206 6.826 4.129 1.00 0.34 N ATOM 533 CA THR A 63 -6.427 6.116 5.375 1.00 0.38 C ATOM 534 C THR A 63 -5.541 4.873 5.487 1.00 0.30 C ATOM 535 O THR A 63 -4.860 4.670 6.491 1.00 0.38 O ATOM 536 CB THR A 63 -7.904 5.699 5.489 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.745 6.806 5.134 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.239 5.232 6.898 1.00 0.66 C ATOM 0 H THR A 63 -7.013 6.831 3.505 1.00 0.34 H new ATOM 0 HA THR A 63 -6.166 6.794 6.187 1.00 0.38 H new ATOM 0 HB THR A 63 -8.077 4.868 4.806 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.685 6.539 5.205 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.289 4.944 6.946 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.616 4.375 7.155 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.052 6.041 7.604 1.00 0.66 H new ATOM 546 N HIS A 64 -5.546 4.056 4.444 1.00 0.26 N ATOM 547 CA HIS A 64 -4.882 2.752 4.492 1.00 0.25 C ATOM 548 C HIS A 64 -3.453 2.804 3.980 1.00 0.25 C ATOM 549 O HIS A 64 -2.685 1.861 4.170 1.00 0.54 O ATOM 550 CB HIS A 64 -5.685 1.719 3.709 1.00 0.33 C ATOM 551 CG HIS A 64 -6.907 1.270 4.438 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.383 -0.017 4.394 1.00 0.86 N ATOM 553 CD2 HIS A 64 -7.735 1.947 5.263 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.447 -0.109 5.164 1.00 0.83 C ATOM 555 NE2 HIS A 64 -8.684 1.066 5.707 1.00 0.68 N ATOM 0 H HIS A 64 -5.999 4.267 3.555 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.835 2.458 5.541 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.975 2.142 2.747 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.053 0.856 3.500 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.977 -0.780 3.852 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -7.662 2.992 5.525 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -9.031 -1.004 5.324 1.00 0.83 H new ATOM 564 N LEU A 65 -3.101 3.907 3.346 1.00 0.32 N ATOM 565 CA LEU A 65 -1.806 4.040 2.684 1.00 0.22 C ATOM 566 C LEU A 65 -0.648 3.904 3.681 1.00 0.20 C ATOM 567 O LEU A 65 0.373 3.291 3.372 1.00 0.24 O ATOM 568 CB LEU A 65 -1.737 5.379 1.935 1.00 0.29 C ATOM 569 CG LEU A 65 -2.554 5.469 0.624 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.071 4.458 -0.396 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.038 5.266 0.873 1.00 0.99 C ATOM 0 H LEU A 65 -3.695 4.733 3.272 1.00 0.32 H new ATOM 0 HA LEU A 65 -1.704 3.229 1.963 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.079 6.166 2.607 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -0.693 5.589 1.704 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.401 6.473 0.229 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.665 4.547 -1.306 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.023 4.647 -0.627 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.177 3.452 0.010 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.578 5.336 -0.071 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.202 4.282 1.313 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.401 6.034 1.557 1.00 0.99 H new ATOM 583 N GLU A 66 -0.824 4.468 4.875 1.00 0.30 N ATOM 584 CA GLU A 66 0.165 4.356 5.954 1.00 0.40 C ATOM 585 C GLU A 66 0.513 2.890 6.239 1.00 0.38 C ATOM 586 O GLU A 66 1.669 2.472 6.110 1.00 0.38 O ATOM 587 CB GLU A 66 -0.394 5.013 7.225 1.00 0.53 C ATOM 588 CG GLU A 66 0.490 4.873 8.458 1.00 0.88 C ATOM 589 CD GLU A 66 1.648 5.852 8.493 1.00 1.12 C ATOM 590 OE1 GLU A 66 1.399 7.063 8.670 1.00 1.75 O ATOM 591 OE2 GLU A 66 2.814 5.414 8.395 1.00 1.75 O ATOM 0 H GLU A 66 -1.650 5.013 5.124 1.00 0.30 H new ATOM 0 HA GLU A 66 1.077 4.864 5.641 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.554 6.073 7.029 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.369 4.578 7.443 1.00 0.53 H new ATOM 0 HG2 GLU A 66 -0.121 5.014 9.350 1.00 0.88 H new ATOM 0 HG3 GLU A 66 0.883 3.857 8.499 1.00 0.88 H new ATOM 598 N ARG A 67 -0.498 2.114 6.614 1.00 0.42 N ATOM 599 CA ARG A 67 -0.300 0.725 7.017 1.00 0.44 C ATOM 600 C ARG A 67 0.200 -0.144 5.863 1.00 0.39 C ATOM 601 O ARG A 67 0.926 -1.113 6.082 1.00 0.40 O ATOM 602 CB ARG A 67 -1.598 0.156 7.605 1.00 0.54 C ATOM 603 CG ARG A 67 -1.538 -1.330 7.919 1.00 0.74 C ATOM 604 CD ARG A 67 -2.501 -1.711 9.035 1.00 0.86 C ATOM 605 NE ARG A 67 -3.887 -1.332 8.748 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.919 -1.647 9.534 1.00 1.45 C ATOM 607 NH1 ARG A 67 -4.728 -2.366 10.632 1.00 1.71 N ATOM 608 NH2 ARG A 67 -6.144 -1.243 9.220 1.00 2.07 N ATOM 0 H ARG A 67 -1.469 2.425 6.648 1.00 0.42 H new ATOM 0 HA ARG A 67 0.475 0.711 7.784 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -1.840 0.700 8.518 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.412 0.335 6.902 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.777 -1.901 7.022 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -0.522 -1.600 8.207 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -2.451 -2.787 9.199 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -2.183 -1.232 9.961 1.00 0.86 H new ATOM 0 HE ARG A 67 -4.074 -0.797 7.900 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -3.790 -2.681 10.879 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -5.519 -2.604 11.230 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -6.298 -0.691 8.377 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -6.931 -1.485 9.822 1.00 2.07 H new ATOM 622 N LEU A 68 -0.152 0.212 4.637 1.00 0.35 N ATOM 623 CA LEU A 68 0.232 -0.599 3.486 1.00 0.34 C ATOM 624 C LEU A 68 1.727 -0.514 3.191 1.00 0.31 C ATOM 625 O LEU A 68 2.268 -1.360 2.487 1.00 0.40 O ATOM 626 CB LEU A 68 -0.592 -0.233 2.253 1.00 0.33 C ATOM 627 CG LEU A 68 -2.041 -0.723 2.291 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.714 -0.493 0.954 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.100 -2.196 2.671 1.00 0.61 C ATOM 0 H LEU A 68 -0.696 1.045 4.412 1.00 0.35 H new ATOM 0 HA LEU A 68 0.016 -1.636 3.744 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.591 0.851 2.139 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.105 -0.646 1.370 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.576 -0.152 3.050 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.744 -0.847 0.999 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.707 0.572 0.721 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -2.177 -1.038 0.178 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.139 -2.525 2.692 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.548 -2.783 1.937 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.655 -2.336 3.656 1.00 0.61 H new ATOM 641 N LEU A 69 2.404 0.478 3.753 1.00 0.27 N ATOM 642 CA LEU A 69 3.859 0.516 3.655 1.00 0.24 C ATOM 643 C LEU A 69 4.442 -0.323 4.782 1.00 0.25 C ATOM 644 O LEU A 69 5.436 -1.045 4.616 1.00 0.26 O ATOM 645 CB LEU A 69 4.425 1.944 3.732 1.00 0.25 C ATOM 646 CG LEU A 69 4.326 2.794 2.456 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.635 3.512 2.189 1.00 0.25 C ATOM 648 CD2 LEU A 69 3.944 1.949 1.256 1.00 0.30 C ATOM 0 H LEU A 69 1.983 1.250 4.270 1.00 0.27 H new ATOM 0 HA LEU A 69 4.139 0.117 2.680 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.909 2.472 4.534 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.475 1.879 4.017 1.00 0.25 H new ATOM 0 HG LEU A 69 3.541 3.534 2.615 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.544 4.108 1.281 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.870 4.164 3.030 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.433 2.780 2.064 1.00 0.25 H new ATOM 0 HD21 LEU A 69 3.883 2.581 0.370 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.698 1.177 1.099 1.00 0.30 H new ATOM 0 HD23 LEU A 69 2.976 1.480 1.434 1.00 0.30 H new ATOM 660 N ASP A 70 3.759 -0.292 5.914 1.00 0.29 N ATOM 661 CA ASP A 70 4.230 -0.986 7.094 1.00 0.35 C ATOM 662 C ASP A 70 4.194 -2.476 6.825 1.00 0.38 C ATOM 663 O ASP A 70 5.080 -3.214 7.251 1.00 0.43 O ATOM 664 CB ASP A 70 3.376 -0.622 8.309 1.00 0.43 C ATOM 665 CG ASP A 70 3.871 -1.263 9.589 1.00 0.91 C ATOM 666 OD1 ASP A 70 4.926 -0.835 10.106 1.00 1.62 O ATOM 667 OD2 ASP A 70 3.197 -2.182 10.102 1.00 1.56 O ATOM 0 H ASP A 70 2.878 0.207 6.038 1.00 0.29 H new ATOM 0 HA ASP A 70 5.254 -0.686 7.317 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.368 0.461 8.430 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.346 -0.930 8.129 1.00 0.43 H new ATOM 672 N GLU A 71 3.175 -2.909 6.090 1.00 0.42 N ATOM 673 CA GLU A 71 3.126 -4.267 5.587 1.00 0.50 C ATOM 674 C GLU A 71 4.148 -4.473 4.473 1.00 0.45 C ATOM 675 O GLU A 71 5.060 -5.269 4.627 1.00 0.48 O ATOM 676 CB GLU A 71 1.730 -4.598 5.056 1.00 0.61 C ATOM 677 CG GLU A 71 0.622 -4.432 6.085 1.00 0.94 C ATOM 678 CD GLU A 71 0.772 -5.383 7.253 1.00 1.47 C ATOM 679 OE1 GLU A 71 0.517 -6.593 7.069 1.00 2.14 O ATOM 680 OE2 GLU A 71 1.146 -4.928 8.351 1.00 2.18 O ATOM 0 H GLU A 71 2.373 -2.334 5.832 1.00 0.42 H new ATOM 0 HA GLU A 71 3.363 -4.933 6.417 1.00 0.50 H new ATOM 0 HB2 GLU A 71 1.516 -3.957 4.200 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.724 -5.626 4.694 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.622 -3.406 6.453 1.00 0.94 H new ATOM 0 HG3 GLU A 71 -0.343 -4.598 5.606 1.00 0.94 H new ATOM 687 N GLU A 72 4.029 -3.707 3.381 1.00 0.43 N ATOM 688 CA GLU A 72 4.794 -3.979 2.154 1.00 0.45 C ATOM 689 C GLU A 72 6.294 -3.828 2.385 1.00 0.42 C ATOM 690 O GLU A 72 7.078 -4.692 2.004 1.00 0.47 O ATOM 691 CB GLU A 72 4.360 -3.043 1.022 1.00 0.46 C ATOM 692 CG GLU A 72 5.124 -3.261 -0.278 1.00 0.57 C ATOM 693 CD GLU A 72 4.717 -4.528 -1.008 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.552 -5.578 -0.351 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.567 -4.477 -2.248 1.00 1.33 O ATOM 0 H GLU A 72 3.413 -2.896 3.320 1.00 0.43 H new ATOM 0 HA GLU A 72 4.586 -5.011 1.870 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.295 -3.182 0.835 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.495 -2.010 1.344 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.964 -2.405 -0.933 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.192 -3.302 -0.062 1.00 0.57 H new ATOM 702 N ILE A 73 6.675 -2.742 3.042 1.00 0.35 N ATOM 703 CA ILE A 73 8.077 -2.474 3.346 1.00 0.34 C ATOM 704 C ILE A 73 8.642 -3.628 4.146 1.00 0.40 C ATOM 705 O ILE A 73 9.780 -4.057 3.947 1.00 0.45 O ATOM 706 CB ILE A 73 8.237 -1.154 4.135 1.00 0.29 C ATOM 707 CG1 ILE A 73 8.095 0.029 3.184 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.564 -1.092 4.882 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.233 1.372 3.856 1.00 0.27 C ATOM 0 H ILE A 73 6.030 -2.027 3.377 1.00 0.35 H new ATOM 0 HA ILE A 73 8.623 -2.370 2.409 1.00 0.34 H new ATOM 0 HB ILE A 73 7.449 -1.111 4.887 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.849 -0.054 2.401 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.122 -0.024 2.696 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.634 -0.148 5.422 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.623 -1.920 5.589 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.386 -1.164 4.170 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.120 2.163 3.115 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.462 1.478 4.620 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.216 1.447 4.320 1.00 0.27 H new ATOM 721 N SER A 74 7.826 -4.144 5.041 1.00 0.41 N ATOM 722 CA SER A 74 8.223 -5.307 5.818 1.00 0.49 C ATOM 723 C SER A 74 8.245 -6.586 4.969 1.00 0.54 C ATOM 724 O SER A 74 9.172 -7.390 5.092 1.00 0.60 O ATOM 725 CB SER A 74 7.312 -5.467 7.023 1.00 0.52 C ATOM 726 OG SER A 74 7.415 -4.330 7.858 1.00 1.34 O ATOM 0 H SER A 74 6.894 -3.785 5.250 1.00 0.41 H new ATOM 0 HA SER A 74 9.242 -5.143 6.167 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.280 -5.596 6.695 1.00 0.52 H new ATOM 0 HB3 SER A 74 7.585 -6.364 7.580 1.00 0.52 H new ATOM 0 HG SER A 74 6.703 -3.695 7.635 1.00 1.34 H new ATOM 732 N ARG A 75 7.245 -6.757 4.100 1.00 0.55 N ATOM 733 CA ARG A 75 7.166 -7.929 3.223 1.00 0.63 C ATOM 734 C ARG A 75 8.425 -8.027 2.389 1.00 0.65 C ATOM 735 O ARG A 75 9.136 -9.026 2.424 1.00 0.72 O ATOM 736 CB ARG A 75 5.984 -7.842 2.246 1.00 0.74 C ATOM 737 CG ARG A 75 4.635 -7.541 2.865 1.00 0.76 C ATOM 738 CD ARG A 75 4.151 -8.658 3.772 1.00 1.25 C ATOM 739 NE ARG A 75 4.549 -8.433 5.160 1.00 1.84 N ATOM 740 CZ ARG A 75 3.714 -7.996 6.103 1.00 2.73 C ATOM 741 NH1 ARG A 75 2.425 -7.842 5.830 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.166 -7.737 7.325 1.00 3.67 N ATOM 0 H ARG A 75 6.476 -6.096 3.985 1.00 0.55 H new ATOM 0 HA ARG A 75 7.038 -8.797 3.869 1.00 0.63 H new ATOM 0 HB2 ARG A 75 6.204 -7.071 1.508 1.00 0.74 H new ATOM 0 HB3 ARG A 75 5.912 -8.787 1.708 1.00 0.74 H new ATOM 0 HG2 ARG A 75 4.699 -6.615 3.436 1.00 0.76 H new ATOM 0 HG3 ARG A 75 3.904 -7.377 2.073 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.065 -8.732 3.711 1.00 1.25 H new ATOM 0 HD3 ARG A 75 4.555 -9.609 3.426 1.00 1.25 H new ATOM 0 HE ARG A 75 5.517 -8.620 5.421 1.00 1.84 H new ATOM 0 HH11 ARG A 75 2.072 -8.058 4.898 1.00 3.05 H new ATOM 0 HH12 ARG A 75 1.787 -7.508 6.552 1.00 3.05 H new ATOM 0 HH21 ARG A 75 5.153 -7.872 7.543 1.00 3.67 H new ATOM 0 HH22 ARG A 75 3.526 -7.403 8.045 1.00 3.67 H new ATOM 756 N VAL A 76 8.688 -6.947 1.670 1.00 0.62 N ATOM 757 CA VAL A 76 9.769 -6.862 0.698 1.00 0.67 C ATOM 758 C VAL A 76 11.126 -7.215 1.308 1.00 0.71 C ATOM 759 O VAL A 76 12.004 -7.729 0.623 1.00 0.84 O ATOM 760 CB VAL A 76 9.808 -5.438 0.098 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.985 -5.250 -0.844 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.499 -5.141 -0.618 1.00 0.58 C ATOM 0 H VAL A 76 8.145 -6.087 1.747 1.00 0.62 H new ATOM 0 HA VAL A 76 9.572 -7.593 -0.086 1.00 0.67 H new ATOM 0 HB VAL A 76 9.938 -4.734 0.920 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.974 -4.236 -1.243 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.916 -5.416 -0.301 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.911 -5.963 -1.665 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.534 -4.136 -1.038 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.351 -5.864 -1.420 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.673 -5.210 0.090 1.00 0.58 H new ATOM 772 N ARG A 77 11.281 -6.972 2.601 1.00 0.65 N ATOM 773 CA ARG A 77 12.554 -7.211 3.269 1.00 0.73 C ATOM 774 C ARG A 77 12.824 -8.706 3.472 1.00 0.86 C ATOM 775 O ARG A 77 13.976 -9.129 3.522 1.00 0.98 O ATOM 776 CB ARG A 77 12.612 -6.448 4.593 1.00 0.75 C ATOM 777 CG ARG A 77 12.823 -4.952 4.396 1.00 0.81 C ATOM 778 CD ARG A 77 12.900 -4.200 5.714 1.00 0.84 C ATOM 779 NE ARG A 77 11.586 -4.011 6.333 1.00 1.39 N ATOM 780 CZ ARG A 77 11.410 -3.463 7.539 1.00 1.71 C ATOM 781 NH1 ARG A 77 12.461 -3.074 8.253 1.00 1.45 N ATOM 782 NH2 ARG A 77 10.185 -3.302 8.035 1.00 2.73 N ATOM 0 H ARG A 77 10.545 -6.611 3.208 1.00 0.65 H new ATOM 0 HA ARG A 77 13.346 -6.836 2.621 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.686 -6.611 5.144 1.00 0.75 H new ATOM 0 HB3 ARG A 77 13.421 -6.848 5.204 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.742 -4.788 3.833 1.00 0.81 H new ATOM 0 HG3 ARG A 77 12.006 -4.548 3.797 1.00 0.81 H new ATOM 0 HD2 ARG A 77 13.546 -4.745 6.402 1.00 0.84 H new ATOM 0 HD3 ARG A 77 13.362 -3.227 5.546 1.00 0.84 H new ATOM 0 HE ARG A 77 10.761 -4.314 5.816 1.00 1.39 H new ATOM 0 HH11 ARG A 77 13.403 -3.194 7.881 1.00 1.45 H new ATOM 0 HH12 ARG A 77 12.326 -2.656 9.173 1.00 1.45 H new ATOM 0 HH21 ARG A 77 9.373 -3.598 7.494 1.00 2.73 H new ATOM 0 HH22 ARG A 77 10.059 -2.883 8.956 1.00 2.73 H new ATOM 796 N LYS A 78 11.768 -9.505 3.588 1.00 0.90 N ATOM 797 CA LYS A 78 11.921 -10.958 3.638 1.00 1.08 C ATOM 798 C LYS A 78 11.783 -11.534 2.242 1.00 1.11 C ATOM 799 O LYS A 78 12.540 -12.412 1.828 1.00 1.32 O ATOM 800 CB LYS A 78 10.867 -11.598 4.540 1.00 1.13 C ATOM 801 CG LYS A 78 11.028 -11.279 6.009 1.00 1.35 C ATOM 802 CD LYS A 78 10.410 -9.940 6.339 1.00 2.01 C ATOM 803 CE LYS A 78 10.830 -9.470 7.721 1.00 2.67 C ATOM 804 NZ LYS A 78 10.212 -8.170 8.082 1.00 3.44 N ATOM 0 H LYS A 78 10.804 -9.176 3.649 1.00 0.90 H new ATOM 0 HA LYS A 78 12.909 -11.176 4.044 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.880 -11.269 4.215 1.00 1.13 H new ATOM 0 HB3 LYS A 78 10.902 -12.680 4.409 1.00 1.13 H new ATOM 0 HG2 LYS A 78 10.558 -12.059 6.609 1.00 1.35 H new ATOM 0 HG3 LYS A 78 12.086 -11.270 6.270 1.00 1.35 H new ATOM 0 HD2 LYS A 78 10.711 -9.204 5.594 1.00 2.01 H new ATOM 0 HD3 LYS A 78 9.324 -10.016 6.292 1.00 2.01 H new ATOM 0 HE2 LYS A 78 10.550 -10.221 8.459 1.00 2.67 H new ATOM 0 HE3 LYS A 78 11.915 -9.377 7.757 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 10.936 -7.542 8.485 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 9.807 -7.730 7.231 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 9.460 -8.326 8.783 1.00 3.44 H new ATOM 818 N ASP A 79 10.796 -11.016 1.537 1.00 1.01 N ATOM 819 CA ASP A 79 10.463 -11.438 0.178 1.00 1.19 C ATOM 820 C ASP A 79 11.460 -10.847 -0.811 1.00 1.41 C ATOM 821 O ASP A 79 11.105 -10.394 -1.892 1.00 1.67 O ATOM 822 CB ASP A 79 9.038 -10.987 -0.161 1.00 1.23 C ATOM 823 CG ASP A 79 8.332 -11.905 -1.141 1.00 1.58 C ATOM 824 OD1 ASP A 79 8.300 -11.598 -2.350 1.00 2.21 O ATOM 825 OD2 ASP A 79 7.759 -12.923 -0.697 1.00 1.94 O ATOM 0 H ASP A 79 10.189 -10.277 1.893 1.00 1.01 H new ATOM 0 HA ASP A 79 10.516 -12.525 0.111 1.00 1.19 H new ATOM 0 HB2 ASP A 79 8.454 -10.931 0.758 1.00 1.23 H new ATOM 0 HB3 ASP A 79 9.073 -9.981 -0.578 1.00 1.23 H new ATOM 830 N MET A 80 12.715 -10.892 -0.422 1.00 1.50 N ATOM 831 CA MET A 80 13.800 -10.332 -1.220 1.00 1.83 C ATOM 832 C MET A 80 14.273 -11.332 -2.261 1.00 2.15 C ATOM 833 O MET A 80 14.554 -10.974 -3.404 1.00 2.62 O ATOM 834 CB MET A 80 14.974 -9.915 -0.336 1.00 2.04 C ATOM 835 CG MET A 80 14.895 -8.472 0.123 1.00 1.57 C ATOM 836 SD MET A 80 15.001 -7.309 -1.253 1.00 1.42 S ATOM 837 CE MET A 80 14.701 -5.760 -0.409 1.00 0.99 C ATOM 0 H MET A 80 13.019 -11.316 0.454 1.00 1.50 H new ATOM 0 HA MET A 80 13.414 -9.448 -1.726 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.011 -10.566 0.538 1.00 2.04 H new ATOM 0 HB3 MET A 80 15.904 -10.064 -0.884 1.00 2.04 H new ATOM 0 HG2 MET A 80 13.959 -8.314 0.658 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.702 -8.272 0.828 1.00 1.57 H new ATOM 0 HE1 MET A 80 14.201 -5.067 -1.086 1.00 0.99 H new ATOM 0 HE2 MET A 80 14.069 -5.936 0.461 1.00 0.99 H new ATOM 0 HE3 MET A 80 15.650 -5.331 -0.087 1.00 0.99 H new ATOM 847 N TYR A 81 14.353 -12.590 -1.864 1.00 2.56 N ATOM 848 CA TYR A 81 14.825 -13.631 -2.757 1.00 3.12 C ATOM 849 C TYR A 81 13.792 -14.740 -2.853 1.00 3.69 C ATOM 850 O TYR A 81 13.076 -14.797 -3.872 1.00 4.24 O ATOM 851 CB TYR A 81 16.166 -14.187 -2.272 1.00 3.70 C ATOM 852 CG TYR A 81 17.221 -13.123 -2.070 1.00 4.11 C ATOM 853 CD1 TYR A 81 17.753 -12.429 -3.150 1.00 4.28 C ATOM 854 CD2 TYR A 81 17.681 -12.810 -0.798 1.00 4.77 C ATOM 855 CE1 TYR A 81 18.714 -11.453 -2.967 1.00 4.93 C ATOM 856 CE2 TYR A 81 18.640 -11.836 -0.607 1.00 5.51 C ATOM 857 CZ TYR A 81 19.154 -11.161 -1.694 1.00 5.52 C ATOM 858 OH TYR A 81 20.107 -10.190 -1.507 1.00 6.40 O ATOM 859 OXT TYR A 81 13.676 -15.534 -1.900 1.00 4.07 O ATOM 0 H TYR A 81 14.098 -12.914 -0.931 1.00 2.56 H new ATOM 0 HA TYR A 81 14.973 -13.202 -3.748 1.00 3.12 H new ATOM 0 HB2 TYR A 81 16.012 -14.718 -1.333 1.00 3.70 H new ATOM 0 HB3 TYR A 81 16.531 -14.917 -2.995 1.00 3.70 H new ATOM 0 HD1 TYR A 81 17.410 -12.656 -4.149 1.00 4.28 H new ATOM 0 HD2 TYR A 81 17.282 -13.337 0.056 1.00 4.77 H new ATOM 0 HE1 TYR A 81 19.118 -10.922 -3.816 1.00 4.93 H new ATOM 0 HE2 TYR A 81 18.986 -11.604 0.389 1.00 5.51 H new ATOM 0 HH TYR A 81 20.306 -10.107 -0.551 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 7.211 -4.487 15.759 1.00 7.36 N ATOM 871 CA GLY B -2 7.433 -5.519 14.722 1.00 7.05 C ATOM 872 C GLY B -2 6.285 -5.590 13.744 1.00 6.50 C ATOM 873 O GLY B -2 5.180 -5.999 14.101 1.00 6.41 O ATOM 0 H1 GLY B -2 8.021 -4.470 16.411 1.00 7.36 H new ATOM 0 H2 GLY B -2 7.111 -3.556 15.306 1.00 7.36 H new ATOM 0 H3 GLY B -2 6.345 -4.709 16.290 1.00 7.36 H new ATOM 0 HA2 GLY B -2 8.355 -5.300 14.184 1.00 7.05 H new ATOM 0 HA3 GLY B -2 7.565 -6.490 15.199 1.00 7.05 H new ATOM 879 N SER B -1 6.543 -5.195 12.511 1.00 6.41 N ATOM 880 CA SER B -1 5.510 -5.155 11.493 1.00 6.10 C ATOM 881 C SER B -1 5.293 -6.540 10.887 1.00 5.79 C ATOM 882 O SER B -1 5.652 -6.802 9.737 1.00 6.09 O ATOM 883 CB SER B -1 5.898 -4.154 10.411 1.00 6.39 C ATOM 884 OG SER B -1 6.269 -2.907 10.984 1.00 6.64 O ATOM 0 H SER B -1 7.464 -4.896 12.189 1.00 6.41 H new ATOM 0 HA SER B -1 4.574 -4.840 11.953 1.00 6.10 H new ATOM 0 HB2 SER B -1 6.727 -4.550 9.824 1.00 6.39 H new ATOM 0 HB3 SER B -1 5.062 -4.010 9.726 1.00 6.39 H new ATOM 0 HG SER B -1 5.971 -2.178 10.401 1.00 6.64 H new ATOM 890 N LYS B 32 4.715 -7.431 11.678 1.00 5.47 N ATOM 891 CA LYS B 32 4.436 -8.784 11.229 1.00 5.31 C ATOM 892 C LYS B 32 2.976 -9.139 11.453 1.00 4.83 C ATOM 893 O LYS B 32 2.570 -10.292 11.295 1.00 4.65 O ATOM 894 CB LYS B 32 5.368 -9.788 11.932 1.00 5.58 C ATOM 895 CG LYS B 32 5.549 -9.550 13.433 1.00 6.01 C ATOM 896 CD LYS B 32 4.293 -9.869 14.234 1.00 6.39 C ATOM 897 CE LYS B 32 4.000 -11.361 14.269 1.00 7.09 C ATOM 898 NZ LYS B 32 5.056 -12.120 14.992 1.00 7.47 N ATOM 0 H LYS B 32 4.429 -7.239 12.638 1.00 5.47 H new ATOM 0 HA LYS B 32 4.628 -8.838 10.157 1.00 5.31 H new ATOM 0 HB2 LYS B 32 4.975 -10.794 11.782 1.00 5.58 H new ATOM 0 HB3 LYS B 32 6.346 -9.753 11.452 1.00 5.58 H new ATOM 0 HG2 LYS B 32 6.373 -10.164 13.797 1.00 6.01 H new ATOM 0 HG3 LYS B 32 5.828 -8.510 13.601 1.00 6.01 H new ATOM 0 HD2 LYS B 32 4.410 -9.499 15.253 1.00 6.39 H new ATOM 0 HD3 LYS B 32 3.443 -9.343 13.799 1.00 6.39 H new ATOM 0 HE2 LYS B 32 3.037 -11.530 14.752 1.00 7.09 H new ATOM 0 HE3 LYS B 32 3.916 -11.738 13.250 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 4.707 -13.074 15.216 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 5.903 -12.193 14.393 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 5.298 -11.624 15.874 1.00 7.47 H new ATOM 912 N GLU B 33 2.192 -8.132 11.794 1.00 4.82 N ATOM 913 CA GLU B 33 0.782 -8.324 12.099 1.00 4.46 C ATOM 914 C GLU B 33 -0.072 -7.829 10.949 1.00 4.00 C ATOM 915 O GLU B 33 -0.214 -6.624 10.740 1.00 4.07 O ATOM 916 CB GLU B 33 0.395 -7.584 13.376 1.00 4.70 C ATOM 917 CG GLU B 33 1.247 -7.944 14.580 1.00 4.79 C ATOM 918 CD GLU B 33 0.752 -7.290 15.850 1.00 4.98 C ATOM 919 OE1 GLU B 33 -0.065 -7.911 16.561 1.00 5.29 O ATOM 920 OE2 GLU B 33 1.177 -6.154 16.148 1.00 5.19 O ATOM 0 H GLU B 33 2.509 -7.165 11.868 1.00 4.82 H new ATOM 0 HA GLU B 33 0.611 -9.390 12.248 1.00 4.46 H new ATOM 0 HB2 GLU B 33 0.469 -6.511 13.199 1.00 4.70 H new ATOM 0 HB3 GLU B 33 -0.649 -7.798 13.605 1.00 4.70 H new ATOM 0 HG2 GLU B 33 1.251 -9.026 14.709 1.00 4.79 H new ATOM 0 HG3 GLU B 33 2.278 -7.641 14.396 1.00 4.79 H new ATOM 927 N LYS B 34 -0.642 -8.761 10.211 1.00 3.73 N ATOM 928 CA LYS B 34 -1.437 -8.426 9.042 1.00 3.44 C ATOM 929 C LYS B 34 -2.859 -8.074 9.455 1.00 3.03 C ATOM 930 O LYS B 34 -3.484 -8.796 10.239 1.00 3.00 O ATOM 931 CB LYS B 34 -1.461 -9.584 8.033 1.00 3.71 C ATOM 932 CG LYS B 34 -0.103 -9.921 7.427 1.00 4.14 C ATOM 933 CD LYS B 34 0.754 -10.748 8.371 1.00 4.59 C ATOM 934 CE LYS B 34 2.121 -11.035 7.777 1.00 5.29 C ATOM 935 NZ LYS B 34 2.923 -11.936 8.646 1.00 5.79 N ATOM 0 H LYS B 34 -0.570 -9.761 10.400 1.00 3.73 H new ATOM 0 HA LYS B 34 -0.976 -7.563 8.562 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -1.855 -10.472 8.527 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -2.152 -9.334 7.228 1.00 3.71 H new ATOM 0 HG2 LYS B 34 -0.248 -10.468 6.496 1.00 4.14 H new ATOM 0 HG3 LYS B 34 0.421 -8.999 7.176 1.00 4.14 H new ATOM 0 HD2 LYS B 34 0.871 -10.218 9.316 1.00 4.59 H new ATOM 0 HD3 LYS B 34 0.249 -11.688 8.593 1.00 4.59 H new ATOM 0 HE2 LYS B 34 2.002 -11.490 6.794 1.00 5.29 H new ATOM 0 HE3 LYS B 34 2.658 -10.098 7.631 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 3.894 -12.000 8.278 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 2.944 -11.556 9.614 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 2.493 -12.883 8.655 1.00 5.79 H new ATOM 949 N PRO B 35 -3.382 -6.948 8.953 1.00 2.88 N ATOM 950 CA PRO B 35 -4.759 -6.536 9.213 1.00 2.61 C ATOM 951 C PRO B 35 -5.749 -7.431 8.480 1.00 2.27 C ATOM 952 O PRO B 35 -5.450 -7.939 7.396 1.00 2.34 O ATOM 953 CB PRO B 35 -4.816 -5.110 8.662 1.00 2.80 C ATOM 954 CG PRO B 35 -3.756 -5.064 7.616 1.00 3.20 C ATOM 955 CD PRO B 35 -2.668 -5.987 8.089 1.00 3.15 C ATOM 0 HA PRO B 35 -5.023 -6.600 10.269 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -5.797 -4.887 8.242 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -4.631 -4.375 9.446 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -4.147 -5.384 6.650 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -3.379 -4.050 7.487 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -2.175 -6.487 7.255 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -1.896 -5.449 8.640 1.00 3.15 H new ATOM 963 N LYS B 36 -6.918 -7.637 9.066 1.00 2.08 N ATOM 964 CA LYS B 36 -7.911 -8.499 8.450 1.00 1.82 C ATOM 965 C LYS B 36 -8.674 -7.762 7.362 1.00 1.56 C ATOM 966 O LYS B 36 -9.229 -6.684 7.589 1.00 1.53 O ATOM 967 CB LYS B 36 -8.892 -9.071 9.473 1.00 1.80 C ATOM 968 CG LYS B 36 -9.570 -8.025 10.342 1.00 2.24 C ATOM 969 CD LYS B 36 -10.572 -8.658 11.289 1.00 2.52 C ATOM 970 CE LYS B 36 -11.187 -7.627 12.220 1.00 3.04 C ATOM 971 NZ LYS B 36 -10.171 -6.998 13.108 1.00 3.62 N ATOM 0 H LYS B 36 -7.199 -7.225 9.956 1.00 2.08 H new ATOM 0 HA LYS B 36 -7.367 -9.332 8.004 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -9.658 -9.640 8.946 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -8.360 -9.772 10.117 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -8.818 -7.483 10.915 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -10.076 -7.296 9.709 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -11.359 -9.146 10.714 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -10.079 -9.433 11.877 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -11.680 -6.855 11.630 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -11.956 -8.102 12.829 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -10.649 -6.515 13.895 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -9.538 -7.732 13.485 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -9.615 -6.307 12.565 1.00 3.62 H new ATOM 985 N PRO B 37 -8.681 -8.331 6.156 1.00 1.50 N ATOM 986 CA PRO B 37 -9.457 -7.803 5.042 1.00 1.33 C ATOM 987 C PRO B 37 -10.958 -7.963 5.271 1.00 1.15 C ATOM 988 O PRO B 37 -11.490 -9.075 5.253 1.00 1.28 O ATOM 989 CB PRO B 37 -9.007 -8.652 3.855 1.00 1.52 C ATOM 990 CG PRO B 37 -8.462 -9.900 4.447 1.00 1.75 C ATOM 991 CD PRO B 37 -7.905 -9.523 5.781 1.00 1.75 C ATOM 0 HA PRO B 37 -9.294 -6.735 4.898 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -9.841 -8.866 3.186 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -8.251 -8.134 3.266 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -9.242 -10.654 4.550 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -7.688 -10.327 3.809 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -8.027 -10.326 6.508 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -6.839 -9.305 5.723 1.00 1.75 H new ATOM 999 N THR B 38 -11.625 -6.852 5.508 1.00 0.97 N ATOM 1000 CA THR B 38 -13.061 -6.843 5.706 1.00 0.84 C ATOM 1001 C THR B 38 -13.711 -5.895 4.708 1.00 0.72 C ATOM 1002 O THR B 38 -13.004 -5.130 4.046 1.00 0.66 O ATOM 1003 CB THR B 38 -13.413 -6.391 7.138 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.800 -5.123 7.411 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.954 -7.415 8.165 1.00 0.95 C ATOM 0 H THR B 38 -11.189 -5.932 5.569 1.00 0.97 H new ATOM 0 HA THR B 38 -13.434 -7.856 5.554 1.00 0.84 H new ATOM 0 HB THR B 38 -14.497 -6.298 7.209 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.028 -4.839 8.321 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.216 -7.070 9.165 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.444 -8.369 7.971 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.874 -7.541 8.096 1.00 0.95 H new ATOM 1013 N PRO B 39 -15.043 -5.929 4.555 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.747 -4.933 3.753 1.00 0.70 C ATOM 1015 C PRO B 39 -15.378 -3.520 4.184 1.00 0.62 C ATOM 1016 O PRO B 39 -15.078 -2.672 3.351 1.00 0.56 O ATOM 1017 CB PRO B 39 -17.215 -5.213 4.040 1.00 0.78 C ATOM 1018 CG PRO B 39 -17.260 -6.656 4.407 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.958 -6.947 5.103 1.00 0.83 C ATOM 0 HA PRO B 39 -15.498 -4.997 2.694 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.586 -4.586 4.851 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.835 -5.007 3.168 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -18.107 -6.866 5.060 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -17.377 -7.281 3.521 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -16.053 -6.861 6.185 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.607 -7.957 4.893 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.373 -3.287 5.497 1.00 0.65 N ATOM 1028 CA ASP B 40 -14.960 -1.999 6.058 1.00 0.64 C ATOM 1029 C ASP B 40 -13.568 -1.629 5.574 1.00 0.57 C ATOM 1030 O ASP B 40 -13.309 -0.486 5.200 1.00 0.57 O ATOM 1031 CB ASP B 40 -14.958 -2.042 7.588 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.346 -2.146 8.179 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -16.923 -1.098 8.543 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -16.865 -3.275 8.287 1.00 2.16 O ATOM 0 H ASP B 40 -15.652 -3.977 6.195 1.00 0.65 H new ATOM 0 HA ASP B 40 -15.677 -1.250 5.722 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.363 -2.892 7.921 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -14.473 -1.144 7.970 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.676 -2.612 5.574 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.307 -2.415 5.121 1.00 0.54 C ATOM 1041 C TYR B 41 -11.295 -2.016 3.646 1.00 0.46 C ATOM 1042 O TYR B 41 -10.479 -1.198 3.218 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.507 -3.708 5.336 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.010 -3.571 5.158 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.420 -3.704 3.906 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.184 -3.322 6.247 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.052 -3.590 3.745 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.816 -3.204 6.093 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.254 -3.341 4.842 1.00 0.73 C ATOM 1050 OH TYR B 41 -4.894 -3.219 4.688 1.00 0.82 O ATOM 0 H TYR B 41 -12.880 -3.561 5.886 1.00 0.57 H new ATOM 0 HA TYR B 41 -10.846 -1.613 5.697 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.706 -4.077 6.342 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.873 -4.464 4.641 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.041 -3.900 3.045 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.618 -3.219 7.230 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.610 -3.695 2.765 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.189 -3.005 6.950 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.597 -3.783 3.944 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.227 -2.574 2.885 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.301 -2.312 1.455 1.00 0.39 C ATOM 1062 C LEU B 42 -13.002 -0.987 1.167 1.00 0.36 C ATOM 1063 O LEU B 42 -12.657 -0.301 0.208 1.00 0.34 O ATOM 1064 CB LEU B 42 -13.027 -3.456 0.739 1.00 0.43 C ATOM 1065 CG LEU B 42 -13.210 -3.266 -0.771 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.865 -3.151 -1.469 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -14.019 -4.411 -1.359 1.00 0.48 C ATOM 0 H LEU B 42 -12.942 -3.211 3.235 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.281 -2.244 1.077 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.473 -4.380 0.909 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -14.009 -3.584 1.195 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.757 -2.337 -0.932 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -12.021 -3.017 -2.539 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.321 -2.294 -1.071 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -11.287 -4.059 -1.298 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -14.139 -4.259 -2.432 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -13.499 -5.352 -1.182 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -15.000 -4.444 -0.886 1.00 0.48 H new ATOM 1079 N MET B 43 -13.955 -0.606 2.013 1.00 0.39 N ATOM 1080 CA MET B 43 -14.749 0.593 1.761 1.00 0.40 C ATOM 1081 C MET B 43 -13.893 1.823 1.992 1.00 0.36 C ATOM 1082 O MET B 43 -14.008 2.829 1.287 1.00 0.36 O ATOM 1083 CB MET B 43 -15.983 0.658 2.669 1.00 0.47 C ATOM 1084 CG MET B 43 -16.959 -0.503 2.523 1.00 0.63 C ATOM 1085 SD MET B 43 -17.515 -0.771 0.828 1.00 0.85 S ATOM 1086 CE MET B 43 -16.451 -2.123 0.328 1.00 0.54 C ATOM 0 H MET B 43 -14.195 -1.104 2.870 1.00 0.39 H new ATOM 0 HA MET B 43 -15.091 0.557 0.727 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.649 0.703 3.706 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.516 1.587 2.465 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.485 -1.414 2.889 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.827 -0.319 3.156 1.00 0.63 H new ATOM 0 HE1 MET B 43 -16.880 -2.621 -0.541 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.465 -1.735 0.074 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.360 -2.837 1.147 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.017 1.716 2.980 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.078 2.780 3.293 1.00 0.35 C ATOM 1098 C GLN B 44 -11.094 2.946 2.144 1.00 0.30 C ATOM 1099 O GLN B 44 -10.765 4.062 1.746 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.331 2.463 4.588 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.216 2.465 5.823 1.00 0.52 C ATOM 1102 CD GLN B 44 -11.512 1.906 7.044 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -10.851 2.629 7.786 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -11.648 0.608 7.258 1.00 0.75 N ATOM 0 H GLN B 44 -12.938 0.896 3.582 1.00 0.36 H new ATOM 0 HA GLN B 44 -12.627 3.712 3.431 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -10.858 1.486 4.493 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -10.532 3.192 4.724 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -12.542 3.484 6.031 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.113 1.878 5.624 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -12.205 0.041 6.619 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -11.196 0.174 8.062 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.654 1.817 1.599 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.739 1.808 0.468 1.00 0.25 C ATOM 1115 C LEU B 45 -10.357 2.460 -0.759 1.00 0.23 C ATOM 1116 O LEU B 45 -9.654 3.086 -1.556 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.330 0.374 0.128 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.194 -0.198 0.970 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.979 -1.671 0.653 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -6.923 0.586 0.709 1.00 0.31 C ATOM 0 H LEU B 45 -10.921 0.889 1.928 1.00 0.27 H new ATOM 0 HA LEU B 45 -8.859 2.384 0.756 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.202 -0.271 0.238 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.037 0.337 -0.921 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.459 -0.113 2.024 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.164 -2.060 1.264 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.892 -2.227 0.869 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.727 -1.783 -0.401 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.112 0.176 1.311 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.662 0.515 -0.347 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.079 1.632 0.975 1.00 0.31 H new ATOM 1132 N MET B 46 -11.671 2.324 -0.904 1.00 0.26 N ATOM 1133 CA MET B 46 -12.360 2.869 -2.063 1.00 0.27 C ATOM 1134 C MET B 46 -12.229 4.379 -2.106 1.00 0.26 C ATOM 1135 O MET B 46 -12.127 4.968 -3.183 1.00 0.40 O ATOM 1136 CB MET B 46 -13.842 2.506 -2.074 1.00 0.33 C ATOM 1137 CG MET B 46 -14.127 1.017 -2.146 1.00 0.38 C ATOM 1138 SD MET B 46 -15.854 0.663 -2.536 1.00 0.49 S ATOM 1139 CE MET B 46 -16.696 1.736 -1.372 1.00 0.49 C ATOM 0 H MET B 46 -12.275 1.844 -0.237 1.00 0.26 H new ATOM 0 HA MET B 46 -11.886 2.428 -2.940 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.308 2.909 -1.175 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.316 2.995 -2.925 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.487 0.564 -2.903 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.871 0.555 -1.193 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.669 1.311 -1.124 1.00 0.49 H new ATOM 0 HE2 MET B 46 -16.099 1.829 -0.465 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.833 2.721 -1.819 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.216 5.014 -0.940 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.138 6.462 -0.875 1.00 0.30 C ATOM 1151 C ASN B 47 -10.696 6.914 -1.030 1.00 0.26 C ATOM 1152 O ASN B 47 -10.432 8.003 -1.526 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.713 6.969 0.453 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.536 8.468 0.643 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.351 9.265 0.177 1.00 1.60 O ATOM 1156 ND2 ASN B 47 -11.484 8.862 1.348 1.00 1.43 N ATOM 0 H ASN B 47 -12.258 4.549 -0.033 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.728 6.881 -1.690 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.774 6.725 0.500 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.229 6.444 1.276 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -11.328 9.855 1.520 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -10.830 8.172 1.718 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.763 6.053 -0.649 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.349 6.397 -0.680 1.00 0.25 C ATOM 1165 C ASP B 48 -7.844 6.421 -2.115 1.00 0.25 C ATOM 1166 O ASP B 48 -7.232 7.397 -2.551 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.519 5.400 0.138 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.641 5.583 1.642 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.029 6.682 2.093 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.307 4.632 2.385 1.00 0.74 O ATOM 0 H ASP B 48 -9.960 5.110 -0.314 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.237 7.387 -0.238 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.828 4.387 -0.121 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.471 5.496 -0.146 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.125 5.348 -2.858 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.694 5.248 -4.251 1.00 0.27 C ATOM 1177 C LYS B 49 -8.381 6.307 -5.105 1.00 0.33 C ATOM 1178 O LYS B 49 -7.865 6.728 -6.138 1.00 0.44 O ATOM 1179 CB LYS B 49 -7.999 3.862 -4.827 1.00 0.31 C ATOM 1180 CG LYS B 49 -6.820 3.239 -5.561 1.00 0.58 C ATOM 1181 CD LYS B 49 -6.168 4.217 -6.521 1.00 0.92 C ATOM 1182 CE LYS B 49 -6.851 4.247 -7.875 1.00 1.45 C ATOM 1183 NZ LYS B 49 -6.198 5.224 -8.785 1.00 2.10 N ATOM 0 H LYS B 49 -8.647 4.540 -2.519 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.616 5.410 -4.270 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.304 3.199 -4.017 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -8.844 3.939 -5.511 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.082 2.896 -4.836 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -7.158 2.361 -6.112 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -6.188 5.216 -6.086 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -5.120 3.948 -6.653 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -6.821 3.253 -8.322 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -7.902 4.509 -7.750 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -6.546 5.082 -9.755 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -6.422 6.191 -8.475 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -5.168 5.084 -8.763 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.528 6.758 -4.648 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.302 7.737 -5.385 1.00 0.37 C ATOM 1199 C LYS B 50 -9.768 9.124 -5.067 1.00 0.39 C ATOM 1200 O LYS B 50 -9.576 9.956 -5.953 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.784 7.633 -5.007 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.702 8.509 -5.845 1.00 1.14 C ATOM 1203 CD LYS B 50 -12.723 8.067 -7.300 1.00 1.67 C ATOM 1204 CE LYS B 50 -13.712 8.882 -8.120 1.00 2.35 C ATOM 1205 NZ LYS B 50 -15.102 8.754 -7.607 1.00 3.05 N ATOM 0 H LYS B 50 -9.948 6.462 -3.767 1.00 0.30 H new ATOM 0 HA LYS B 50 -10.212 7.549 -6.455 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.101 6.595 -5.105 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -11.900 7.903 -3.957 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -13.713 8.472 -5.438 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -12.372 9.546 -5.784 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -11.725 8.169 -7.726 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -12.987 7.011 -7.356 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -13.416 9.931 -8.107 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -13.678 8.554 -9.159 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.771 9.089 -8.329 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -15.301 7.757 -7.387 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -15.208 9.326 -6.745 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.505 9.345 -3.785 1.00 0.38 N ATOM 1220 CA LEU B 51 -8.980 10.606 -3.294 1.00 0.44 C ATOM 1221 C LEU B 51 -7.610 10.912 -3.888 1.00 0.43 C ATOM 1222 O LEU B 51 -7.343 12.045 -4.276 1.00 0.47 O ATOM 1223 CB LEU B 51 -8.882 10.557 -1.770 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.571 11.878 -1.084 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.665 12.892 -1.366 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -8.417 11.665 0.411 1.00 1.22 C ATOM 0 H LEU B 51 -9.652 8.648 -3.055 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.662 11.400 -3.600 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.825 10.178 -1.376 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.110 9.837 -1.497 1.00 0.48 H new ATOM 0 HG LEU B 51 -7.633 12.266 -1.480 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.427 13.832 -0.868 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -9.738 13.059 -2.441 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -10.617 12.514 -0.992 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -8.194 12.617 0.893 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -9.343 11.260 0.818 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.602 10.965 0.597 1.00 1.22 H new ATOM 1238 N MET B 52 -6.747 9.901 -3.975 1.00 0.39 N ATOM 1239 CA MET B 52 -5.396 10.106 -4.489 1.00 0.37 C ATOM 1240 C MET B 52 -5.434 10.498 -5.963 1.00 0.41 C ATOM 1241 O MET B 52 -4.571 11.228 -6.442 1.00 0.47 O ATOM 1242 CB MET B 52 -4.531 8.851 -4.288 1.00 0.33 C ATOM 1243 CG MET B 52 -5.014 7.629 -5.047 1.00 1.29 C ATOM 1244 SD MET B 52 -3.997 6.171 -4.741 1.00 1.25 S ATOM 1245 CE MET B 52 -4.227 5.944 -2.978 1.00 0.32 C ATOM 0 H MET B 52 -6.957 8.942 -3.699 1.00 0.39 H new ATOM 0 HA MET B 52 -4.944 10.922 -3.925 1.00 0.37 H new ATOM 0 HB2 MET B 52 -3.510 9.075 -4.596 1.00 0.33 H new ATOM 0 HB3 MET B 52 -4.498 8.614 -3.225 1.00 0.33 H new ATOM 0 HG2 MET B 52 -6.044 7.414 -4.763 1.00 1.29 H new ATOM 0 HG3 MET B 52 -5.016 7.847 -6.115 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.318 6.236 -2.452 1.00 0.32 H new ATOM 0 HE2 MET B 52 -5.058 6.562 -2.637 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.445 4.896 -2.771 1.00 0.32 H new ATOM 1255 N SER B 53 -6.448 10.026 -6.675 1.00 0.41 N ATOM 1256 CA SER B 53 -6.614 10.364 -8.075 1.00 0.47 C ATOM 1257 C SER B 53 -7.369 11.686 -8.233 1.00 0.51 C ATOM 1258 O SER B 53 -7.557 12.180 -9.345 1.00 0.62 O ATOM 1259 CB SER B 53 -7.344 9.226 -8.788 1.00 0.52 C ATOM 1260 OG SER B 53 -6.616 8.012 -8.667 1.00 1.15 O ATOM 0 H SER B 53 -7.168 9.407 -6.302 1.00 0.41 H new ATOM 0 HA SER B 53 -5.632 10.495 -8.529 1.00 0.47 H new ATOM 0 HB2 SER B 53 -8.340 9.103 -8.363 1.00 0.52 H new ATOM 0 HB3 SER B 53 -7.475 9.474 -9.841 1.00 0.52 H new ATOM 0 HG SER B 53 -6.352 7.699 -9.557 1.00 1.15 H new ATOM 1266 N SER B 54 -7.797 12.258 -7.112 1.00 0.49 N ATOM 1267 CA SER B 54 -8.458 13.554 -7.114 1.00 0.54 C ATOM 1268 C SER B 54 -7.476 14.626 -6.643 1.00 0.53 C ATOM 1269 O SER B 54 -7.765 15.826 -6.684 1.00 0.53 O ATOM 1270 CB SER B 54 -9.695 13.518 -6.207 1.00 0.60 C ATOM 1271 OG SER B 54 -10.491 14.683 -6.367 1.00 1.30 O ATOM 0 H SER B 54 -7.696 11.840 -6.187 1.00 0.49 H new ATOM 0 HA SER B 54 -8.785 13.793 -8.126 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.291 12.635 -6.437 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.382 13.430 -5.167 1.00 0.60 H new ATOM 0 HG SER B 54 -9.911 15.472 -6.411 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.319 14.167 -6.188 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.251 15.054 -5.750 1.00 0.57 C ATOM 1279 C LEU B 55 -4.240 15.246 -6.873 1.00 0.65 C ATOM 1280 O LEU B 55 -3.600 14.291 -7.308 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.558 14.495 -4.503 1.00 0.51 C ATOM 1282 CG LEU B 55 -5.429 14.414 -3.245 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -4.649 13.791 -2.099 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.936 15.794 -2.854 1.00 0.65 C ATOM 0 H LEU B 55 -6.095 13.175 -6.112 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.687 16.020 -5.495 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -4.187 13.496 -4.732 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.689 15.115 -4.283 1.00 0.51 H new ATOM 0 HG LEU B 55 -6.289 13.782 -3.463 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -5.282 13.741 -1.213 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -4.334 12.785 -2.378 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -3.771 14.400 -1.883 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -6.552 15.715 -1.959 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -5.089 16.450 -2.654 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.531 16.207 -3.669 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.078 16.489 -7.355 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.187 16.795 -8.477 1.00 0.95 C ATOM 1298 C PRO B 56 -1.723 16.837 -8.058 1.00 0.88 C ATOM 1299 O PRO B 56 -0.823 16.874 -8.893 1.00 1.19 O ATOM 1300 CB PRO B 56 -3.660 18.174 -8.929 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.211 18.808 -7.697 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.754 17.693 -6.843 1.00 0.98 C ATOM 0 HA PRO B 56 -3.232 16.037 -9.259 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -2.838 18.759 -9.342 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -4.419 18.097 -9.708 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.436 19.360 -7.166 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.996 19.522 -7.947 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.534 17.856 -5.788 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.837 17.612 -6.934 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.498 16.828 -6.756 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.149 16.838 -6.212 1.00 0.62 C ATOM 1312 C ASN B 57 0.339 15.415 -5.963 1.00 0.57 C ATOM 1313 O ASN B 57 1.545 15.165 -5.891 1.00 0.59 O ATOM 1314 CB ASN B 57 -0.087 17.663 -4.916 1.00 0.68 C ATOM 1315 CG ASN B 57 -1.175 17.304 -3.914 1.00 1.32 C ATOM 1316 OD1 ASN B 57 -1.673 16.180 -3.882 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -1.553 18.265 -3.086 1.00 1.73 N ATOM 0 H ASN B 57 -2.235 16.814 -6.052 1.00 0.63 H new ATOM 0 HA ASN B 57 0.508 17.306 -6.945 1.00 0.62 H new ATOM 0 HB2 ASN B 57 0.887 17.519 -4.449 1.00 0.68 H new ATOM 0 HB3 ASN B 57 -0.168 18.721 -5.164 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -2.279 18.085 -2.393 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -1.118 19.186 -3.141 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.619 14.496 -5.844 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.337 13.092 -5.545 1.00 0.70 C ATOM 1326 C PHE B 58 0.708 12.504 -6.483 1.00 0.90 C ATOM 1327 O PHE B 58 1.619 11.826 -6.038 1.00 1.77 O ATOM 1328 CB PHE B 58 -1.615 12.258 -5.610 1.00 0.69 C ATOM 1329 CG PHE B 58 -1.397 10.806 -5.292 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.055 10.411 -4.010 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -1.543 9.837 -6.270 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -0.862 9.078 -3.709 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -1.349 8.502 -5.975 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.009 8.122 -4.691 1.00 0.69 C ATOM 0 H PHE B 58 -1.612 14.704 -5.952 1.00 0.62 H new ATOM 0 HA PHE B 58 0.065 13.060 -4.533 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.344 12.670 -4.912 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.045 12.343 -6.608 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.938 11.155 -3.236 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -1.812 10.128 -7.275 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.596 8.784 -2.704 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -1.463 7.756 -6.747 1.00 1.15 H new ATOM 0 HZ PHE B 58 -0.859 7.078 -4.457 1.00 0.69 H new ATOM 1344 N SER B 59 0.560 12.751 -7.776 1.00 0.91 N ATOM 1345 CA SER B 59 1.499 12.249 -8.777 1.00 1.02 C ATOM 1346 C SER B 59 2.974 12.428 -8.379 1.00 1.10 C ATOM 1347 O SER B 59 3.815 11.603 -8.741 1.00 1.84 O ATOM 1348 CB SER B 59 1.227 12.935 -10.116 1.00 1.21 C ATOM 1349 OG SER B 59 1.129 14.341 -9.956 1.00 1.84 O ATOM 0 H SER B 59 -0.207 13.301 -8.162 1.00 0.91 H new ATOM 0 HA SER B 59 1.335 11.174 -8.857 1.00 1.02 H new ATOM 0 HB2 SER B 59 2.027 12.700 -10.818 1.00 1.21 H new ATOM 0 HB3 SER B 59 0.303 12.549 -10.545 1.00 1.21 H new ATOM 0 HG SER B 59 0.956 14.758 -10.826 1.00 1.84 H new ATOM 1355 N GLY B 60 3.295 13.494 -7.642 1.00 0.91 N ATOM 1356 CA GLY B 60 4.676 13.749 -7.284 1.00 0.88 C ATOM 1357 C GLY B 60 5.129 13.030 -6.025 1.00 0.67 C ATOM 1358 O GLY B 60 6.297 12.647 -5.918 1.00 0.74 O ATOM 0 H GLY B 60 2.625 14.178 -7.291 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.317 13.449 -8.113 1.00 0.88 H new ATOM 0 HA3 GLY B 60 4.813 14.822 -7.147 1.00 0.88 H new ATOM 1362 N ILE B 61 4.227 12.835 -5.069 1.00 0.51 N ATOM 1363 CA ILE B 61 4.609 12.199 -3.811 1.00 0.54 C ATOM 1364 C ILE B 61 3.981 10.822 -3.699 1.00 0.73 C ATOM 1365 O ILE B 61 3.005 10.525 -4.377 1.00 1.81 O ATOM 1366 CB ILE B 61 4.251 13.031 -2.542 1.00 0.58 C ATOM 1367 CG1 ILE B 61 2.748 12.976 -2.194 1.00 0.64 C ATOM 1368 CG2 ILE B 61 4.707 14.476 -2.707 1.00 0.79 C ATOM 1369 CD1 ILE B 61 1.886 13.906 -3.004 1.00 0.79 C ATOM 0 H ILE B 61 3.245 13.102 -5.136 1.00 0.51 H new ATOM 0 HA ILE B 61 5.696 12.125 -3.843 1.00 0.54 H new ATOM 0 HB ILE B 61 4.784 12.577 -1.707 1.00 0.58 H new ATOM 0 HG12 ILE B 61 2.392 11.955 -2.336 1.00 0.64 H new ATOM 0 HG13 ILE B 61 2.624 13.213 -1.137 1.00 0.64 H new ATOM 0 HG21 ILE B 61 4.450 15.043 -1.813 1.00 0.79 H new ATOM 0 HG22 ILE B 61 5.787 14.502 -2.855 1.00 0.79 H new ATOM 0 HG23 ILE B 61 4.211 14.917 -3.572 1.00 0.79 H new ATOM 0 HD11 ILE B 61 0.846 13.801 -2.694 1.00 0.79 H new ATOM 0 HD12 ILE B 61 2.211 14.934 -2.845 1.00 0.79 H new ATOM 0 HD13 ILE B 61 1.976 13.657 -4.061 1.00 0.79 H new ATOM 1381 N PHE B 62 4.559 9.981 -2.858 1.00 0.58 N ATOM 1382 CA PHE B 62 4.023 8.647 -2.612 1.00 0.50 C ATOM 1383 C PHE B 62 4.115 7.797 -3.873 1.00 0.51 C ATOM 1384 O PHE B 62 3.119 7.559 -4.558 1.00 0.76 O ATOM 1385 CB PHE B 62 2.569 8.724 -2.137 1.00 0.50 C ATOM 1386 CG PHE B 62 2.360 9.551 -0.902 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.399 9.814 -0.025 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.110 10.056 -0.618 1.00 0.64 C ATOM 1389 CE1 PHE B 62 3.188 10.564 1.109 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.896 10.809 0.513 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.930 11.061 1.376 1.00 0.59 C ATOM 0 H PHE B 62 5.404 10.197 -2.330 1.00 0.58 H new ATOM 0 HA PHE B 62 4.619 8.182 -1.827 1.00 0.50 H new ATOM 0 HB2 PHE B 62 1.959 9.135 -2.941 1.00 0.50 H new ATOM 0 HB3 PHE B 62 2.208 7.713 -1.947 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.385 9.426 -0.233 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.289 9.858 -1.291 1.00 0.64 H new ATOM 0 HE1 PHE B 62 4.005 10.763 1.787 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.088 11.202 0.721 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.760 11.649 2.266 1.00 0.59 H new ATOM 1401 N THR B 63 5.316 7.330 -4.155 1.00 0.35 N ATOM 1402 CA THR B 63 5.602 6.618 -5.389 1.00 0.38 C ATOM 1403 C THR B 63 4.854 5.284 -5.461 1.00 0.30 C ATOM 1404 O THR B 63 4.195 4.979 -6.452 1.00 0.38 O ATOM 1405 CB THR B 63 7.116 6.358 -5.509 1.00 0.49 C ATOM 1406 OG1 THR B 63 7.841 7.557 -5.196 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.484 5.887 -6.909 1.00 0.66 C ATOM 0 H THR B 63 6.121 7.432 -3.537 1.00 0.35 H new ATOM 0 HA THR B 63 5.263 7.245 -6.214 1.00 0.38 H new ATOM 0 HB THR B 63 7.383 5.572 -4.803 1.00 0.49 H new ATOM 0 HG1 THR B 63 8.803 7.387 -5.272 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.558 5.712 -6.963 1.00 0.66 H new ATOM 0 HG22 THR B 63 6.954 4.961 -7.133 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.204 6.650 -7.635 1.00 0.66 H new ATOM 1415 N HIS B 64 4.951 4.498 -4.397 1.00 0.26 N ATOM 1416 CA HIS B 64 4.430 3.131 -4.405 1.00 0.25 C ATOM 1417 C HIS B 64 3.004 3.043 -3.884 1.00 0.25 C ATOM 1418 O HIS B 64 2.342 2.017 -4.038 1.00 0.54 O ATOM 1419 CB HIS B 64 5.342 2.208 -3.607 1.00 0.34 C ATOM 1420 CG HIS B 64 6.599 1.873 -4.337 1.00 0.43 C ATOM 1421 ND1 HIS B 64 7.209 0.646 -4.265 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.344 2.612 -5.189 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.273 0.646 -5.043 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.380 1.825 -5.618 1.00 0.68 N ATOM 0 H HIS B 64 5.384 4.780 -3.518 1.00 0.26 H new ATOM 0 HA HIS B 64 4.410 2.808 -5.446 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.593 2.682 -2.658 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.806 1.288 -3.372 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.890 -0.141 -3.700 1.00 0.86 H new ATOM 0 HD2 HIS B 64 7.157 3.635 -5.479 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.947 -0.186 -5.185 1.00 0.83 H new ATOM 1433 N LEU B 65 2.539 4.120 -3.278 1.00 0.32 N ATOM 1434 CA LEU B 65 1.242 4.132 -2.610 1.00 0.22 C ATOM 1435 C LEU B 65 0.100 3.850 -3.595 1.00 0.21 C ATOM 1436 O LEU B 65 -0.849 3.140 -3.262 1.00 0.24 O ATOM 1437 CB LEU B 65 1.036 5.475 -1.895 1.00 0.29 C ATOM 1438 CG LEU B 65 1.848 5.686 -0.592 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.481 4.657 0.458 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.345 5.633 -0.848 1.00 0.99 C ATOM 0 H LEU B 65 3.042 5.006 -3.232 1.00 0.32 H new ATOM 0 HA LEU B 65 1.230 3.333 -1.868 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.289 6.276 -2.590 1.00 0.29 H new ATOM 0 HB3 LEU B 65 -0.023 5.579 -1.660 1.00 0.29 H new ATOM 0 HG LEU B 65 1.592 6.679 -0.223 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.068 4.832 1.360 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.420 4.740 0.694 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.691 3.658 0.077 1.00 0.84 H new ATOM 0 HD21 LEU B 65 3.880 5.785 0.089 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.609 4.660 -1.263 1.00 0.99 H new ATOM 0 HD23 LEU B 65 3.621 6.416 -1.555 1.00 0.99 H new ATOM 1452 N GLU B 66 0.208 4.397 -4.806 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.772 4.156 -5.871 1.00 0.40 C ATOM 1454 C GLU B 66 -0.967 2.655 -6.120 1.00 0.38 C ATOM 1455 O GLU B 66 -2.073 2.122 -5.979 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.294 4.837 -7.162 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.163 4.571 -8.388 1.00 0.88 C ATOM 1458 CD GLU B 66 -2.423 5.415 -8.437 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -2.307 6.641 -8.642 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -3.533 4.855 -8.318 1.00 1.75 O ATOM 0 H GLU B 66 0.972 5.016 -5.078 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.730 4.573 -5.560 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.249 5.913 -6.993 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.722 4.505 -7.376 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -0.575 4.759 -9.287 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -1.441 3.517 -8.403 1.00 0.88 H new ATOM 1467 N ARG B 67 0.120 1.981 -6.479 1.00 0.42 N ATOM 1468 CA ARG B 67 0.069 0.569 -6.845 1.00 0.44 C ATOM 1469 C ARG B 67 -0.332 -0.317 -5.667 1.00 0.39 C ATOM 1470 O ARG B 67 -0.959 -1.358 -5.854 1.00 0.40 O ATOM 1471 CB ARG B 67 1.416 0.126 -7.430 1.00 0.54 C ATOM 1472 CG ARG B 67 1.510 -1.367 -7.708 1.00 0.74 C ATOM 1473 CD ARG B 67 2.498 -1.674 -8.822 1.00 0.86 C ATOM 1474 NE ARG B 67 3.838 -1.145 -8.559 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.891 -1.373 -9.348 1.00 1.45 C ATOM 1476 NH1 ARG B 67 4.761 -2.130 -10.431 1.00 1.71 N ATOM 1477 NH2 ARG B 67 6.071 -0.841 -9.056 1.00 2.07 N ATOM 0 H ARG B 67 1.052 2.392 -6.525 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.703 0.452 -7.605 1.00 0.44 H new ATOM 0 HB2 ARG B 67 1.594 0.670 -8.358 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.211 0.407 -6.739 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.814 -1.887 -6.800 1.00 0.74 H new ATOM 0 HG3 ARG B 67 0.526 -1.749 -7.980 1.00 0.74 H new ATOM 0 HD2 ARG B 67 2.560 -2.754 -8.958 1.00 0.86 H new ATOM 0 HD3 ARG B 67 2.125 -1.256 -9.757 1.00 0.86 H new ATOM 0 HE ARG B 67 3.975 -0.571 -7.727 1.00 1.08 H new ATOM 0 HH11 ARG B 67 3.855 -2.539 -10.662 1.00 1.71 H new ATOM 0 HH12 ARG B 67 5.567 -2.303 -11.032 1.00 1.71 H new ATOM 0 HH21 ARG B 67 6.176 -0.256 -8.227 1.00 2.07 H new ATOM 0 HH22 ARG B 67 6.873 -1.017 -9.661 1.00 2.07 H new ATOM 1491 N LEU B 68 -0.010 0.105 -4.451 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.298 -0.712 -3.277 1.00 0.34 C ATOM 1493 C LEU B 68 -1.793 -0.779 -2.971 1.00 0.31 C ATOM 1494 O LEU B 68 -2.237 -1.661 -2.244 1.00 0.41 O ATOM 1495 CB LEU B 68 0.490 -0.232 -2.061 1.00 0.33 C ATOM 1496 CG LEU B 68 1.982 -0.566 -2.099 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.636 -0.230 -0.774 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.192 -2.035 -2.442 1.00 0.62 C ATOM 0 H LEU B 68 0.445 0.996 -4.252 1.00 0.36 H new ATOM 0 HA LEU B 68 0.026 -1.726 -3.512 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.375 0.848 -1.973 1.00 0.33 H new ATOM 0 HB3 LEU B 68 0.055 -0.673 -1.165 1.00 0.33 H new ATOM 0 HG LEU B 68 2.450 0.038 -2.876 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.697 -0.474 -0.820 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.517 0.834 -0.569 1.00 0.37 H new ATOM 0 HD13 LEU B 68 2.165 -0.808 0.021 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.259 -2.254 -2.465 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.710 -2.657 -1.688 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.757 -2.246 -3.419 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.576 0.120 -3.551 1.00 0.27 N ATOM 1511 CA LEU B 69 -4.028 0.008 -3.443 1.00 0.24 C ATOM 1512 C LEU B 69 -4.525 -0.916 -4.543 1.00 0.25 C ATOM 1513 O LEU B 69 -5.439 -1.730 -4.354 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.740 1.365 -3.551 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.724 2.254 -2.298 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.098 2.836 -2.038 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.248 1.489 -1.079 1.00 0.30 C ATOM 0 H LEU B 69 -2.242 0.919 -4.090 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.260 -0.392 -2.456 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.286 1.923 -4.370 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.779 1.183 -3.826 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.022 3.067 -2.484 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.065 3.462 -1.146 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.406 3.438 -2.893 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.813 2.027 -1.887 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.250 2.149 -0.212 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -4.915 0.646 -0.895 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.237 1.120 -1.253 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.853 -0.842 -5.679 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.253 -1.611 -6.838 1.00 0.35 C ATOM 1531 C ASP B 70 -4.060 -3.082 -6.535 1.00 0.38 C ATOM 1532 O ASP B 70 -4.866 -3.922 -6.936 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.448 -1.189 -8.066 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.893 -1.895 -9.329 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -5.009 -1.600 -9.816 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -3.127 -2.726 -9.858 1.00 1.56 O ATOM 0 H ASP B 70 -3.029 -0.257 -5.821 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.304 -1.426 -7.061 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.543 -0.112 -8.204 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.392 -1.396 -7.892 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.995 -3.389 -5.797 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.800 -4.721 -5.261 1.00 0.50 C ATOM 1543 C GLU B 71 -3.789 -5.005 -4.135 1.00 0.46 C ATOM 1544 O GLU B 71 -4.615 -5.895 -4.262 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.373 -4.890 -4.736 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.297 -4.639 -5.783 1.00 0.94 C ATOM 1547 CD GLU B 71 -0.354 -5.640 -6.919 1.00 1.47 C ATOM 1548 OE1 GLU B 71 0.049 -6.805 -6.705 1.00 2.14 O ATOM 1549 OE2 GLU B 71 -0.808 -5.274 -8.017 1.00 2.18 O ATOM 0 H GLU B 71 -2.256 -2.727 -5.560 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.971 -5.430 -6.071 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -1.220 -4.206 -3.901 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -1.257 -5.901 -4.345 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.411 -3.632 -6.184 1.00 0.94 H new ATOM 0 HG3 GLU B 71 0.684 -4.685 -5.310 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.745 -4.203 -3.063 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.469 -4.522 -1.823 1.00 0.45 C ATOM 1558 C GLU B 72 -5.978 -4.534 -2.044 1.00 0.42 C ATOM 1559 O GLU B 72 -6.666 -5.464 -1.631 1.00 0.47 O ATOM 1560 CB GLU B 72 -4.128 -3.518 -0.718 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.859 -3.782 0.593 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.318 -4.980 1.354 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.059 -6.032 0.727 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.170 -4.878 2.589 1.00 1.33 O ATOM 0 H GLU B 72 -3.218 -3.331 -3.028 1.00 0.43 H new ATOM 0 HA GLU B 72 -4.152 -5.519 -1.516 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -3.054 -3.541 -0.536 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.371 -2.513 -1.064 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.788 -2.897 1.225 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.917 -3.941 0.385 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.475 -3.514 -2.728 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.898 -3.401 -3.025 1.00 0.35 C ATOM 1573 C ILE B 73 -8.346 -4.627 -3.792 1.00 0.40 C ATOM 1574 O ILE B 73 -9.433 -5.165 -3.575 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.204 -2.125 -3.842 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.180 -0.911 -2.921 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.533 -2.224 -4.580 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.465 0.392 -3.626 1.00 0.27 C ATOM 0 H ILE B 73 -5.910 -2.746 -3.091 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.444 -3.331 -2.084 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.431 -2.015 -4.603 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.915 -1.053 -2.128 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.203 -0.849 -2.442 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.707 -1.306 -5.141 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.505 -3.069 -5.268 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.339 -2.368 -3.860 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.431 1.210 -2.906 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.716 0.558 -4.400 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.454 0.351 -4.081 1.00 0.27 H new ATOM 1590 N SER B 74 -7.486 -5.077 -4.681 1.00 0.41 N ATOM 1591 CA SER B 74 -7.761 -6.294 -5.425 1.00 0.49 C ATOM 1592 C SER B 74 -7.642 -7.547 -4.545 1.00 0.54 C ATOM 1593 O SER B 74 -8.473 -8.451 -4.646 1.00 0.60 O ATOM 1594 CB SER B 74 -6.846 -6.389 -6.637 1.00 0.52 C ATOM 1595 OG SER B 74 -7.070 -5.291 -7.500 1.00 1.34 O ATOM 0 H SER B 74 -6.599 -4.626 -4.907 1.00 0.41 H new ATOM 0 HA SER B 74 -8.794 -6.246 -5.769 1.00 0.49 H new ATOM 0 HB2 SER B 74 -5.804 -6.403 -6.316 1.00 0.52 H new ATOM 0 HB3 SER B 74 -7.029 -7.323 -7.168 1.00 0.52 H new ATOM 0 HG SER B 74 -6.336 -4.648 -7.409 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.625 -7.588 -3.679 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.417 -8.725 -2.774 1.00 0.63 C ATOM 1603 C ARG B 75 -7.651 -8.935 -1.925 1.00 0.65 C ATOM 1604 O ARG B 75 -8.254 -10.002 -1.930 1.00 0.72 O ATOM 1605 CB ARG B 75 -5.246 -8.488 -1.811 1.00 0.74 C ATOM 1606 CG ARG B 75 -3.940 -8.063 -2.449 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.346 -9.148 -3.330 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.776 -9.006 -4.719 1.00 1.84 N ATOM 1609 CZ ARG B 75 -2.999 -8.502 -5.680 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -1.730 -8.203 -5.421 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.481 -8.318 -6.903 1.00 3.67 N ATOM 0 H ARG B 75 -5.931 -6.846 -3.585 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.204 -9.591 -3.401 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -5.542 -7.725 -1.091 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -5.072 -9.406 -1.249 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.105 -7.165 -3.044 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -3.226 -7.801 -1.668 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.258 -9.105 -3.279 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -3.644 -10.127 -2.954 1.00 1.26 H new ATOM 0 HE ARG B 75 -4.718 -9.307 -4.967 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -1.350 -8.359 -4.487 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -1.137 -7.818 -6.156 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -4.449 -8.562 -7.112 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -2.883 -7.932 -7.634 1.00 3.67 H new ATOM 1625 N VAL B 76 -8.021 -7.869 -1.230 1.00 0.62 N ATOM 1626 CA VAL B 76 -9.101 -7.875 -0.252 1.00 0.67 C ATOM 1627 C VAL B 76 -10.416 -8.385 -0.840 1.00 0.71 C ATOM 1628 O VAL B 76 -11.229 -8.973 -0.137 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.288 -6.446 0.312 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.475 -6.361 1.260 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -8.016 -5.992 1.012 1.00 0.59 C ATOM 0 H VAL B 76 -7.571 -6.959 -1.331 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.823 -8.562 0.548 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.494 -5.782 -0.527 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.570 -5.341 1.633 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.385 -6.640 0.729 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.321 -7.041 2.098 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -8.157 -4.985 1.406 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.789 -6.674 1.832 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -7.190 -5.991 0.301 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.603 -8.192 -2.138 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.850 -8.577 -2.786 1.00 0.73 C ATOM 1643 C ARG B 77 -11.966 -10.098 -2.947 1.00 0.87 C ATOM 1644 O ARG B 77 -13.072 -10.637 -2.967 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.996 -7.860 -4.126 1.00 0.75 C ATOM 1646 CG ARG B 77 -12.360 -6.389 -3.967 1.00 0.80 C ATOM 1647 CD ARG B 77 -12.525 -5.682 -5.304 1.00 0.84 C ATOM 1648 NE ARG B 77 -11.245 -5.378 -5.943 1.00 1.38 N ATOM 1649 CZ ARG B 77 -11.135 -4.846 -7.163 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.228 -4.592 -7.875 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -9.938 -4.574 -7.674 1.00 2.73 N ATOM 0 H ARG B 77 -9.912 -7.774 -2.761 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.672 -8.268 -2.140 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -11.061 -7.941 -4.681 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.763 -8.358 -4.719 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -13.287 -6.307 -3.399 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.585 -5.887 -3.387 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -13.120 -6.307 -5.970 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -13.081 -4.756 -5.155 1.00 0.84 H new ATOM 0 HE ARG B 77 -10.389 -5.584 -5.428 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -13.148 -4.803 -7.489 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -12.147 -4.186 -8.807 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -9.096 -4.772 -7.134 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -9.862 -4.168 -8.607 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.834 -10.786 -3.058 1.00 0.90 N ATOM 1666 CA LYS B 78 -10.832 -12.249 -3.069 1.00 1.08 C ATOM 1667 C LYS B 78 -10.620 -12.767 -1.662 1.00 1.12 C ATOM 1668 O LYS B 78 -11.271 -13.710 -1.215 1.00 1.32 O ATOM 1669 CB LYS B 78 -9.720 -12.796 -3.964 1.00 1.13 C ATOM 1670 CG LYS B 78 -9.923 -12.537 -5.439 1.00 1.35 C ATOM 1671 CD LYS B 78 -9.451 -11.151 -5.809 1.00 2.01 C ATOM 1672 CE LYS B 78 -9.925 -10.761 -7.201 1.00 2.67 C ATOM 1673 NZ LYS B 78 -9.447 -9.414 -7.597 1.00 3.44 N ATOM 0 H LYS B 78 -9.911 -10.360 -3.141 1.00 0.90 H new ATOM 0 HA LYS B 78 -11.794 -12.582 -3.459 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.772 -12.354 -3.657 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -9.637 -13.871 -3.804 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -9.378 -13.280 -6.022 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -10.978 -12.646 -5.690 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -9.823 -10.431 -5.080 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -8.362 -11.112 -5.769 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -9.572 -11.497 -7.923 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -11.014 -10.782 -7.231 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -10.238 -8.868 -7.994 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -9.070 -8.920 -6.763 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -8.697 -9.508 -8.312 1.00 3.44 H new ATOM 1687 N ASP B 79 -9.690 -12.130 -0.979 1.00 1.02 N ATOM 1688 CA ASP B 79 -9.308 -12.480 0.386 1.00 1.20 C ATOM 1689 C ASP B 79 -10.355 -11.969 1.366 1.00 1.42 C ATOM 1690 O ASP B 79 -10.045 -11.445 2.430 1.00 1.68 O ATOM 1691 CB ASP B 79 -7.932 -11.881 0.707 1.00 1.24 C ATOM 1692 CG ASP B 79 -7.144 -12.698 1.715 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -7.138 -12.343 2.913 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -6.507 -13.692 1.308 1.00 1.94 O ATOM 0 H ASP B 79 -9.166 -11.341 -1.358 1.00 1.02 H new ATOM 0 HA ASP B 79 -9.249 -13.564 0.478 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -7.355 -11.798 -0.214 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -8.064 -10.870 1.092 1.00 1.24 H new ATOM 1699 N MET B 80 -11.599 -12.162 0.992 1.00 1.50 N ATOM 1700 CA MET B 80 -12.730 -11.703 1.787 1.00 1.83 C ATOM 1701 C MET B 80 -13.085 -12.720 2.857 1.00 2.16 C ATOM 1702 O MET B 80 -13.387 -12.362 3.997 1.00 2.63 O ATOM 1703 CB MET B 80 -13.950 -11.434 0.904 1.00 2.04 C ATOM 1704 CG MET B 80 -14.024 -10.003 0.410 1.00 1.58 C ATOM 1705 SD MET B 80 -14.229 -8.823 1.761 1.00 1.43 S ATOM 1706 CE MET B 80 -14.112 -7.273 0.876 1.00 0.99 C ATOM 0 H MET B 80 -11.862 -12.640 0.130 1.00 1.50 H new ATOM 0 HA MET B 80 -12.436 -10.771 2.269 1.00 1.83 H new ATOM 0 HB2 MET B 80 -13.926 -12.107 0.047 1.00 2.04 H new ATOM 0 HB3 MET B 80 -14.855 -11.665 1.465 1.00 2.04 H new ATOM 0 HG2 MET B 80 -13.116 -9.764 -0.143 1.00 1.58 H new ATOM 0 HG3 MET B 80 -14.857 -9.904 -0.286 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.694 -6.510 1.532 1.00 0.99 H new ATOM 0 HE2 MET B 80 -13.466 -7.398 0.007 1.00 0.99 H new ATOM 0 HE3 MET B 80 -15.105 -6.965 0.548 1.00 0.99 H new ATOM 1716 N TYR B 81 -13.040 -13.991 2.496 1.00 2.56 N ATOM 1717 CA TYR B 81 -13.393 -15.053 3.420 1.00 3.13 C ATOM 1718 C TYR B 81 -12.252 -16.049 3.534 1.00 3.70 C ATOM 1719 O TYR B 81 -11.503 -15.986 4.531 1.00 4.25 O ATOM 1720 CB TYR B 81 -14.671 -15.756 2.963 1.00 3.71 C ATOM 1721 CG TYR B 81 -15.834 -14.816 2.744 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -16.430 -14.154 3.810 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -16.330 -14.585 1.469 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -17.491 -13.292 3.611 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -17.390 -13.725 1.260 1.00 5.51 C ATOM 1726 CZ TYR B 81 -17.966 -13.081 2.334 1.00 5.53 C ATOM 1727 OH TYR B 81 -19.024 -12.225 2.130 1.00 6.40 O ATOM 1728 OXT TYR B 81 -12.090 -16.872 2.612 1.00 4.07 O ATOM 0 H TYR B 81 -12.762 -14.312 1.569 1.00 2.56 H new ATOM 0 HA TYR B 81 -13.574 -14.615 4.402 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -14.469 -16.292 2.036 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -14.952 -16.501 3.708 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -16.058 -14.316 4.811 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -15.879 -15.086 0.625 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -17.945 -12.787 4.450 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -17.765 -13.558 0.261 1.00 5.51 H new ATOM 0 HH TYR B 81 -19.234 -12.187 1.174 1.00 6.40 H new TER 1738 TYR B 81