USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 818 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 96 SER OG : rot 180:sc= 1.03 USER MOD Set 1.2: A 102 SER OG : rot -32:sc= 0.906 USER MOD Set 2.1: A 28 TYR OH : rot -151:sc= 0.734 USER MOD Set 2.2: A 30 MET CE :methyl -135:sc= -0.0537 (180deg=0) USER MOD Set 2.3: A 37 MET CE :methyl 140:sc= -0.0692 (180deg=-2.63!) USER MOD Set 2.4: A 64 HIS : no HD1:sc=-0.00498 X(o=0.61,f=0.19) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0212 (180deg=-0.188) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.261) USER MOD Single : A 11 ASN : amide:sc= -5.8! C(o=-5.8!,f=-3.9!) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.0335 (180deg=-0.235) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0939 USER MOD Single : A 22 HIS : no HE2:sc= 1.05 K(o=1.1,f=-5.5!) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.577 (180deg=-2.71!) USER MOD Single : A 32 ASN : amide:sc=-0.00644 K(o=-0.0064,f=-1) USER MOD Single : A 33 ASN : amide:sc= -0.299 K(o=-0.3,f=-0.92) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0221) USER MOD Single : A 41 HIS : no HD1:sc= -0.0384 X(o=-0.038,f=-0.0036) USER MOD Single : A 42 THR OG1 : rot 130:sc= 0.986 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.411 (180deg=-1.41) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HE2:sc= -0.145 K(o=-0.15,f=-3!) USER MOD Single : A 58 CYS SG : rot -65:sc= -1.37! USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-1.2) USER MOD Single : A 69 SER OG : rot -45:sc= 1.06 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 100:sc= 1.2 USER MOD Single : A 76 CYS SG : rot 36:sc= -3.05! USER MOD Single : A 77 SER OG : rot -34:sc= 1.3 USER MOD Single : A 78 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 SER OG : rot -176:sc= -3.46! USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -2.47! K(o=-2.5!,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -122:sc= -0.151 (180deg=-2.22!) USER MOD Single : A 95 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.19) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -18:sc= 0.807 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.112 -4.968 -16.697 1.00 7.43 N ATOM 2 CA MET A 1 2.251 -3.993 -17.412 1.00 7.42 C ATOM 3 C MET A 1 2.807 -2.579 -17.265 1.00 7.11 C ATOM 4 O MET A 1 3.270 -1.978 -18.233 1.00 7.15 O ATOM 5 CB MET A 1 0.817 -4.037 -16.869 1.00 7.88 C ATOM 6 CG MET A 1 0.158 -5.404 -16.966 1.00 8.36 C ATOM 7 SD MET A 1 -1.532 -5.407 -16.338 1.00 9.39 S ATOM 8 CE MET A 1 -1.930 -7.147 -16.480 1.00 9.95 C ATOM 0 H1 MET A 1 2.843 -5.935 -16.971 1.00 7.43 H new ATOM 0 H2 MET A 1 4.107 -4.802 -16.948 1.00 7.43 H new ATOM 0 H3 MET A 1 2.990 -4.852 -15.671 1.00 7.43 H new ATOM 0 HA MET A 1 2.240 -4.266 -18.467 1.00 7.42 H new ATOM 0 HB2 MET A 1 0.825 -3.723 -15.825 1.00 7.88 H new ATOM 0 HB3 MET A 1 0.211 -3.314 -17.415 1.00 7.88 H new ATOM 0 HG2 MET A 1 0.155 -5.729 -18.007 1.00 8.36 H new ATOM 0 HG3 MET A 1 0.750 -6.129 -16.408 1.00 8.36 H new ATOM 0 HE1 MET A 1 -2.948 -7.317 -16.130 1.00 9.95 H new ATOM 0 HE2 MET A 1 -1.849 -7.455 -17.522 1.00 9.95 H new ATOM 0 HE3 MET A 1 -1.236 -7.730 -15.874 1.00 9.95 H new ATOM 20 N ALA A 2 2.788 -2.063 -16.044 1.00 7.11 N ATOM 21 CA ALA A 2 3.209 -0.695 -15.776 1.00 7.16 C ATOM 22 C ALA A 2 4.423 -0.675 -14.853 1.00 6.34 C ATOM 23 O ALA A 2 4.629 0.287 -14.116 1.00 6.43 O ATOM 24 CB ALA A 2 2.059 0.094 -15.163 1.00 7.97 C ATOM 0 H ALA A 2 2.483 -2.576 -15.217 1.00 7.11 H new ATOM 0 HA ALA A 2 3.493 -0.227 -16.719 1.00 7.16 H new ATOM 0 HB1 ALA A 2 2.383 1.116 -14.966 1.00 7.97 H new ATOM 0 HB2 ALA A 2 1.217 0.107 -15.855 1.00 7.97 H new ATOM 0 HB3 ALA A 2 1.753 -0.376 -14.228 1.00 7.97 H new ATOM 30 N THR A 3 5.218 -1.744 -14.922 1.00 5.73 N ATOM 31 CA THR A 3 6.386 -1.937 -14.059 1.00 5.02 C ATOM 32 C THR A 3 7.196 -0.655 -13.875 1.00 3.93 C ATOM 33 O THR A 3 7.774 -0.117 -14.826 1.00 3.57 O ATOM 34 CB THR A 3 7.299 -3.023 -14.648 1.00 5.39 C ATOM 35 OG1 THR A 3 6.503 -4.129 -15.098 1.00 6.16 O ATOM 36 CG2 THR A 3 8.305 -3.504 -13.619 1.00 5.37 C ATOM 0 H THR A 3 5.069 -2.506 -15.583 1.00 5.73 H new ATOM 0 HA THR A 3 6.011 -2.240 -13.082 1.00 5.02 H new ATOM 0 HB THR A 3 7.845 -2.595 -15.489 1.00 5.39 H new ATOM 0 HG1 THR A 3 7.087 -4.820 -15.475 1.00 6.16 H new ATOM 0 HG21 THR A 3 8.939 -4.272 -14.061 1.00 5.37 H new ATOM 0 HG22 THR A 3 8.923 -2.666 -13.295 1.00 5.37 H new ATOM 0 HG23 THR A 3 7.777 -3.919 -12.761 1.00 5.37 H new ATOM 44 N GLU A 4 7.217 -0.176 -12.640 1.00 3.59 N ATOM 45 CA GLU A 4 7.918 1.045 -12.294 1.00 2.75 C ATOM 46 C GLU A 4 9.388 0.755 -11.984 1.00 1.95 C ATOM 47 O GLU A 4 9.789 -0.409 -11.881 1.00 2.29 O ATOM 48 CB GLU A 4 7.243 1.704 -11.086 1.00 3.20 C ATOM 49 CG GLU A 4 5.783 2.058 -11.306 1.00 4.01 C ATOM 50 CD GLU A 4 5.227 2.914 -10.188 1.00 4.54 C ATOM 51 OE1 GLU A 4 5.353 4.153 -10.272 1.00 4.73 O ATOM 52 OE2 GLU A 4 4.676 2.358 -9.212 1.00 5.13 O ATOM 0 H GLU A 4 6.748 -0.624 -11.853 1.00 3.59 H new ATOM 0 HA GLU A 4 7.876 1.725 -13.144 1.00 2.75 H new ATOM 0 HB2 GLU A 4 7.318 1.032 -10.231 1.00 3.20 H new ATOM 0 HB3 GLU A 4 7.790 2.611 -10.828 1.00 3.20 H new ATOM 0 HG2 GLU A 4 5.678 2.587 -12.253 1.00 4.01 H new ATOM 0 HG3 GLU A 4 5.197 1.142 -11.386 1.00 4.01 H new ATOM 59 N PRO A 5 10.218 1.812 -11.868 1.00 1.30 N ATOM 60 CA PRO A 5 11.625 1.689 -11.456 1.00 1.21 C ATOM 61 C PRO A 5 11.854 0.863 -10.171 1.00 0.86 C ATOM 62 O PRO A 5 12.780 0.051 -10.138 1.00 0.92 O ATOM 63 CB PRO A 5 12.058 3.140 -11.243 1.00 1.76 C ATOM 64 CG PRO A 5 11.194 3.924 -12.166 1.00 1.77 C ATOM 65 CD PRO A 5 9.868 3.214 -12.188 1.00 1.57 C ATOM 0 HA PRO A 5 12.197 1.147 -12.209 1.00 1.21 H new ATOM 0 HB2 PRO A 5 11.916 3.449 -10.207 1.00 1.76 H new ATOM 0 HB3 PRO A 5 13.114 3.277 -11.475 1.00 1.76 H new ATOM 0 HG2 PRO A 5 11.082 4.951 -11.819 1.00 1.77 H new ATOM 0 HG3 PRO A 5 11.629 3.971 -13.164 1.00 1.77 H new ATOM 0 HD2 PRO A 5 9.177 3.632 -11.456 1.00 1.57 H new ATOM 0 HD3 PRO A 5 9.386 3.294 -13.162 1.00 1.57 H new ATOM 73 N PRO A 6 11.053 1.044 -9.086 1.00 0.66 N ATOM 74 CA PRO A 6 11.269 0.305 -7.837 1.00 0.47 C ATOM 75 C PRO A 6 10.957 -1.180 -7.985 1.00 0.48 C ATOM 76 O PRO A 6 10.111 -1.572 -8.790 1.00 0.62 O ATOM 77 CB PRO A 6 10.297 0.957 -6.848 1.00 0.59 C ATOM 78 CG PRO A 6 9.230 1.555 -7.694 1.00 0.87 C ATOM 79 CD PRO A 6 9.892 1.953 -8.982 1.00 0.84 C ATOM 0 HA PRO A 6 12.310 0.352 -7.517 1.00 0.47 H new ATOM 0 HB2 PRO A 6 9.886 0.222 -6.156 1.00 0.59 H new ATOM 0 HB3 PRO A 6 10.796 1.717 -6.247 1.00 0.59 H new ATOM 0 HG2 PRO A 6 8.428 0.839 -7.873 1.00 0.87 H new ATOM 0 HG3 PRO A 6 8.782 2.419 -7.203 1.00 0.87 H new ATOM 0 HD2 PRO A 6 9.217 1.836 -9.830 1.00 0.84 H new ATOM 0 HD3 PRO A 6 10.204 2.997 -8.964 1.00 0.84 H new ATOM 87 N LYS A 7 11.623 -2.006 -7.193 1.00 0.45 N ATOM 88 CA LYS A 7 11.424 -3.437 -7.257 1.00 0.52 C ATOM 89 C LYS A 7 10.815 -3.886 -5.953 1.00 0.42 C ATOM 90 O LYS A 7 11.521 -4.231 -5.010 1.00 0.42 O ATOM 91 CB LYS A 7 12.742 -4.180 -7.514 1.00 0.65 C ATOM 92 CG LYS A 7 13.429 -3.827 -8.827 1.00 1.24 C ATOM 93 CD LYS A 7 12.772 -4.505 -10.021 1.00 1.37 C ATOM 94 CE LYS A 7 11.439 -3.872 -10.375 1.00 1.70 C ATOM 95 NZ LYS A 7 10.791 -4.554 -11.523 1.00 2.49 N ATOM 0 H LYS A 7 12.306 -1.705 -6.498 1.00 0.45 H new ATOM 0 HA LYS A 7 10.759 -3.670 -8.089 1.00 0.52 H new ATOM 0 HB2 LYS A 7 13.428 -3.969 -6.693 1.00 0.65 H new ATOM 0 HB3 LYS A 7 12.547 -5.252 -7.499 1.00 0.65 H new ATOM 0 HG2 LYS A 7 13.407 -2.746 -8.968 1.00 1.24 H new ATOM 0 HG3 LYS A 7 14.478 -4.120 -8.777 1.00 1.24 H new ATOM 0 HD2 LYS A 7 13.439 -4.449 -10.881 1.00 1.37 H new ATOM 0 HD3 LYS A 7 12.624 -5.562 -9.801 1.00 1.37 H new ATOM 0 HE2 LYS A 7 10.778 -3.910 -9.509 1.00 1.70 H new ATOM 0 HE3 LYS A 7 11.589 -2.819 -10.615 1.00 1.70 H new ATOM 0 HZ1 LYS A 7 9.774 -4.338 -11.526 1.00 2.49 H new ATOM 0 HZ2 LYS A 7 11.218 -4.221 -12.411 1.00 2.49 H new ATOM 0 HZ3 LYS A 7 10.927 -5.582 -11.438 1.00 2.49 H new ATOM 109 N ILE A 8 9.504 -3.827 -5.882 1.00 0.41 N ATOM 110 CA ILE A 8 8.819 -4.120 -4.649 1.00 0.34 C ATOM 111 C ILE A 8 8.487 -5.602 -4.584 1.00 0.36 C ATOM 112 O ILE A 8 7.692 -6.103 -5.380 1.00 0.48 O ATOM 113 CB ILE A 8 7.534 -3.283 -4.505 1.00 0.45 C ATOM 114 CG1 ILE A 8 7.815 -1.810 -4.842 1.00 0.72 C ATOM 115 CG2 ILE A 8 6.981 -3.411 -3.094 1.00 0.36 C ATOM 116 CD1 ILE A 8 8.813 -1.143 -3.919 1.00 0.39 C ATOM 0 H ILE A 8 8.895 -3.579 -6.662 1.00 0.41 H new ATOM 0 HA ILE A 8 9.481 -3.858 -3.824 1.00 0.34 H new ATOM 0 HB ILE A 8 6.789 -3.660 -5.206 1.00 0.45 H new ATOM 0 HG12 ILE A 8 8.185 -1.747 -5.865 1.00 0.72 H new ATOM 0 HG13 ILE A 8 6.877 -1.255 -4.807 1.00 0.72 H new ATOM 0 HG21 ILE A 8 6.073 -2.815 -3.004 1.00 0.36 H new ATOM 0 HG22 ILE A 8 6.751 -4.456 -2.887 1.00 0.36 H new ATOM 0 HG23 ILE A 8 7.722 -3.053 -2.379 1.00 0.36 H new ATOM 0 HD11 ILE A 8 8.955 -0.106 -4.225 1.00 0.39 H new ATOM 0 HD12 ILE A 8 8.438 -1.171 -2.896 1.00 0.39 H new ATOM 0 HD13 ILE A 8 9.765 -1.670 -3.971 1.00 0.39 H new ATOM 128 N VAL A 9 9.099 -6.295 -3.640 1.00 0.31 N ATOM 129 CA VAL A 9 8.987 -7.739 -3.559 1.00 0.36 C ATOM 130 C VAL A 9 7.803 -8.141 -2.708 1.00 0.34 C ATOM 131 O VAL A 9 7.622 -7.635 -1.601 1.00 0.47 O ATOM 132 CB VAL A 9 10.267 -8.364 -2.971 1.00 0.41 C ATOM 133 CG1 VAL A 9 10.163 -9.880 -2.915 1.00 0.89 C ATOM 134 CG2 VAL A 9 11.473 -7.937 -3.783 1.00 0.86 C ATOM 0 H VAL A 9 9.682 -5.877 -2.915 1.00 0.31 H new ATOM 0 HA VAL A 9 8.844 -8.109 -4.574 1.00 0.36 H new ATOM 0 HB VAL A 9 10.387 -8.005 -1.949 1.00 0.41 H new ATOM 0 HG11 VAL A 9 11.081 -10.292 -2.496 1.00 0.89 H new ATOM 0 HG12 VAL A 9 9.318 -10.164 -2.288 1.00 0.89 H new ATOM 0 HG13 VAL A 9 10.016 -10.272 -3.921 1.00 0.89 H new ATOM 0 HG21 VAL A 9 12.373 -8.383 -3.360 1.00 0.86 H new ATOM 0 HG22 VAL A 9 11.353 -8.269 -4.814 1.00 0.86 H new ATOM 0 HG23 VAL A 9 11.561 -6.851 -3.760 1.00 0.86 H new ATOM 144 N TRP A 10 6.989 -9.037 -3.226 1.00 0.33 N ATOM 145 CA TRP A 10 5.878 -9.552 -2.463 1.00 0.31 C ATOM 146 C TRP A 10 6.303 -10.787 -1.692 1.00 0.34 C ATOM 147 O TRP A 10 6.551 -11.847 -2.271 1.00 0.42 O ATOM 148 CB TRP A 10 4.686 -9.870 -3.362 1.00 0.38 C ATOM 149 CG TRP A 10 3.532 -10.474 -2.616 1.00 0.41 C ATOM 150 CD1 TRP A 10 3.116 -10.151 -1.356 1.00 0.40 C ATOM 151 CD2 TRP A 10 2.644 -11.499 -3.079 1.00 0.50 C ATOM 152 NE1 TRP A 10 2.032 -10.911 -1.003 1.00 0.46 N ATOM 153 CE2 TRP A 10 1.718 -11.743 -2.048 1.00 0.52 C ATOM 154 CE3 TRP A 10 2.541 -12.231 -4.266 1.00 0.60 C ATOM 155 CZ2 TRP A 10 0.705 -12.692 -2.166 1.00 0.62 C ATOM 156 CZ3 TRP A 10 1.533 -13.172 -4.381 1.00 0.71 C ATOM 157 CH2 TRP A 10 0.627 -13.392 -3.339 1.00 0.72 C ATOM 0 H TRP A 10 7.077 -9.420 -4.167 1.00 0.33 H new ATOM 0 HA TRP A 10 5.566 -8.782 -1.758 1.00 0.31 H new ATOM 0 HB2 TRP A 10 4.355 -8.955 -3.853 1.00 0.38 H new ATOM 0 HB3 TRP A 10 5.003 -10.557 -4.147 1.00 0.38 H new ATOM 0 HD1 TRP A 10 3.576 -9.403 -0.727 1.00 0.40 H new ATOM 0 HE1 TRP A 10 1.540 -10.866 -0.111 1.00 0.46 H new ATOM 0 HE3 TRP A 10 3.235 -12.065 -5.077 1.00 0.60 H new ATOM 0 HZ2 TRP A 10 0.007 -12.869 -1.361 1.00 0.62 H new ATOM 0 HZ3 TRP A 10 1.445 -13.746 -5.291 1.00 0.71 H new ATOM 0 HH2 TRP A 10 -0.151 -14.131 -3.463 1.00 0.72 H new ATOM 168 N ASN A 11 6.394 -10.640 -0.386 1.00 0.34 N ATOM 169 CA ASN A 11 6.742 -11.744 0.476 1.00 0.43 C ATOM 170 C ASN A 11 5.459 -12.433 0.925 1.00 0.45 C ATOM 171 O ASN A 11 4.920 -12.158 2.000 1.00 0.46 O ATOM 172 CB ASN A 11 7.562 -11.246 1.665 1.00 0.47 C ATOM 173 CG ASN A 11 8.393 -12.340 2.296 1.00 0.63 C ATOM 174 OD1 ASN A 11 9.495 -12.641 1.842 1.00 1.39 O ATOM 175 ND2 ASN A 11 7.882 -12.927 3.356 1.00 1.08 N ATOM 0 H ASN A 11 6.230 -9.759 0.101 1.00 0.34 H new ATOM 0 HA ASN A 11 7.359 -12.465 -0.061 1.00 0.43 H new ATOM 0 HB2 ASN A 11 8.218 -10.440 1.337 1.00 0.47 H new ATOM 0 HB3 ASN A 11 6.891 -10.826 2.414 1.00 0.47 H new ATOM 0 HD21 ASN A 11 8.404 -13.662 3.833 1.00 1.08 H new ATOM 0 HD22 ASN A 11 6.964 -12.647 3.701 1.00 1.08 H new ATOM 182 N GLU A 12 4.966 -13.305 0.054 1.00 0.53 N ATOM 183 CA GLU A 12 3.643 -13.910 0.180 1.00 0.59 C ATOM 184 C GLU A 12 3.447 -14.700 1.473 1.00 0.62 C ATOM 185 O GLU A 12 2.320 -14.824 1.951 1.00 0.65 O ATOM 186 CB GLU A 12 3.370 -14.799 -1.032 1.00 0.76 C ATOM 187 CG GLU A 12 4.467 -15.811 -1.311 1.00 1.09 C ATOM 188 CD GLU A 12 4.262 -16.537 -2.621 1.00 1.43 C ATOM 189 OE1 GLU A 12 3.527 -17.546 -2.639 1.00 1.71 O ATOM 190 OE2 GLU A 12 4.838 -16.102 -3.642 1.00 1.92 O ATOM 0 H GLU A 12 5.479 -13.617 -0.771 1.00 0.53 H new ATOM 0 HA GLU A 12 2.926 -13.090 0.220 1.00 0.59 H new ATOM 0 HB2 GLU A 12 2.430 -15.329 -0.877 1.00 0.76 H new ATOM 0 HB3 GLU A 12 3.239 -14.168 -1.911 1.00 0.76 H new ATOM 0 HG2 GLU A 12 5.431 -15.302 -1.328 1.00 1.09 H new ATOM 0 HG3 GLU A 12 4.503 -16.537 -0.498 1.00 1.09 H new ATOM 197 N GLY A 13 4.526 -15.213 2.057 1.00 0.65 N ATOM 198 CA GLY A 13 4.391 -15.986 3.276 1.00 0.73 C ATOM 199 C GLY A 13 3.954 -15.123 4.439 1.00 0.70 C ATOM 200 O GLY A 13 3.428 -15.617 5.434 1.00 0.80 O ATOM 0 H GLY A 13 5.480 -15.109 1.712 1.00 0.65 H new ATOM 0 HA2 GLY A 13 3.665 -16.785 3.122 1.00 0.73 H new ATOM 0 HA3 GLY A 13 5.343 -16.462 3.513 1.00 0.73 H new ATOM 204 N LYS A 14 4.173 -13.822 4.302 1.00 0.59 N ATOM 205 CA LYS A 14 3.842 -12.867 5.349 1.00 0.59 C ATOM 206 C LYS A 14 2.753 -11.915 4.874 1.00 0.51 C ATOM 207 O LYS A 14 2.243 -11.105 5.650 1.00 0.55 O ATOM 208 CB LYS A 14 5.083 -12.061 5.758 1.00 0.61 C ATOM 209 CG LYS A 14 6.114 -12.835 6.576 1.00 0.86 C ATOM 210 CD LYS A 14 6.698 -14.019 5.818 1.00 1.21 C ATOM 211 CE LYS A 14 7.738 -14.758 6.637 1.00 1.26 C ATOM 212 NZ LYS A 14 8.875 -13.881 7.036 1.00 1.79 N ATOM 0 H LYS A 14 4.582 -13.402 3.468 1.00 0.59 H new ATOM 0 HA LYS A 14 3.480 -13.425 6.213 1.00 0.59 H new ATOM 0 HB2 LYS A 14 5.566 -11.683 4.857 1.00 0.61 H new ATOM 0 HB3 LYS A 14 4.761 -11.194 6.334 1.00 0.61 H new ATOM 0 HG2 LYS A 14 6.920 -12.162 6.867 1.00 0.86 H new ATOM 0 HG3 LYS A 14 5.649 -13.191 7.495 1.00 0.86 H new ATOM 0 HD2 LYS A 14 5.897 -14.705 5.544 1.00 1.21 H new ATOM 0 HD3 LYS A 14 7.149 -13.669 4.890 1.00 1.21 H new ATOM 0 HE2 LYS A 14 7.268 -15.168 7.531 1.00 1.26 H new ATOM 0 HE3 LYS A 14 8.118 -15.602 6.061 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 9.649 -14.465 7.412 1.00 1.79 H new ATOM 0 HZ2 LYS A 14 9.213 -13.352 6.207 1.00 1.79 H new ATOM 0 HZ3 LYS A 14 8.558 -13.213 7.768 1.00 1.79 H new ATOM 226 N ARG A 15 2.402 -12.030 3.589 1.00 0.45 N ATOM 227 CA ARG A 15 1.434 -11.137 2.951 1.00 0.44 C ATOM 228 C ARG A 15 1.913 -9.695 3.051 1.00 0.37 C ATOM 229 O ARG A 15 1.148 -8.794 3.391 1.00 0.52 O ATOM 230 CB ARG A 15 0.054 -11.276 3.598 1.00 0.56 C ATOM 231 CG ARG A 15 -0.425 -12.706 3.683 1.00 0.66 C ATOM 232 CD ARG A 15 -1.740 -12.808 4.429 1.00 0.87 C ATOM 233 NE ARG A 15 -2.162 -14.195 4.574 1.00 1.83 N ATOM 234 CZ ARG A 15 -2.448 -14.766 5.740 1.00 2.36 C ATOM 235 NH1 ARG A 15 -2.362 -14.067 6.865 1.00 2.32 N ATOM 236 NH2 ARG A 15 -2.812 -16.037 5.787 1.00 3.42 N ATOM 0 H ARG A 15 2.780 -12.743 2.965 1.00 0.45 H new ATOM 0 HA ARG A 15 1.350 -11.416 1.901 1.00 0.44 H new ATOM 0 HB2 ARG A 15 0.086 -10.851 4.601 1.00 0.56 H new ATOM 0 HB3 ARG A 15 -0.668 -10.692 3.027 1.00 0.56 H new ATOM 0 HG2 ARG A 15 -0.543 -13.112 2.678 1.00 0.66 H new ATOM 0 HG3 ARG A 15 0.328 -13.314 4.185 1.00 0.66 H new ATOM 0 HD2 ARG A 15 -1.638 -12.352 5.414 1.00 0.87 H new ATOM 0 HD3 ARG A 15 -2.507 -12.246 3.896 1.00 0.87 H new ATOM 0 HE ARG A 15 -2.243 -14.762 3.730 1.00 1.83 H new ATOM 0 HH11 ARG A 15 -2.076 -13.088 6.837 1.00 2.32 H new ATOM 0 HH12 ARG A 15 -2.582 -14.508 7.758 1.00 2.32 H new ATOM 0 HH21 ARG A 15 -2.874 -16.582 4.927 1.00 3.42 H new ATOM 0 HH22 ARG A 15 -3.031 -16.472 6.683 1.00 3.42 H new ATOM 250 N ARG A 16 3.181 -9.480 2.743 1.00 0.27 N ATOM 251 CA ARG A 16 3.769 -8.163 2.887 1.00 0.24 C ATOM 252 C ARG A 16 4.653 -7.847 1.690 1.00 0.23 C ATOM 253 O ARG A 16 5.178 -8.750 1.043 1.00 0.29 O ATOM 254 CB ARG A 16 4.570 -8.106 4.194 1.00 0.33 C ATOM 255 CG ARG A 16 6.005 -8.600 4.081 1.00 0.55 C ATOM 256 CD ARG A 16 6.636 -8.827 5.451 1.00 0.68 C ATOM 257 NE ARG A 16 6.414 -7.711 6.375 1.00 0.91 N ATOM 258 CZ ARG A 16 7.393 -6.960 6.887 1.00 1.02 C ATOM 259 NH1 ARG A 16 8.646 -7.131 6.483 1.00 1.02 N ATOM 260 NH2 ARG A 16 7.112 -6.026 7.794 1.00 1.86 N ATOM 0 H ARG A 16 3.818 -10.196 2.394 1.00 0.27 H new ATOM 0 HA ARG A 16 2.980 -7.412 2.926 1.00 0.24 H new ATOM 0 HB2 ARG A 16 4.581 -7.077 4.553 1.00 0.33 H new ATOM 0 HB3 ARG A 16 4.053 -8.701 4.947 1.00 0.33 H new ATOM 0 HG2 ARG A 16 6.025 -9.530 3.513 1.00 0.55 H new ATOM 0 HG3 ARG A 16 6.597 -7.873 3.524 1.00 0.55 H new ATOM 0 HD2 ARG A 16 6.228 -9.739 5.887 1.00 0.68 H new ATOM 0 HD3 ARG A 16 7.708 -8.984 5.330 1.00 0.68 H new ATOM 0 HE ARG A 16 5.454 -7.495 6.643 1.00 0.91 H new ATOM 0 HH11 ARG A 16 8.863 -7.837 5.780 1.00 1.02 H new ATOM 0 HH12 ARG A 16 9.391 -6.556 6.876 1.00 1.02 H new ATOM 0 HH21 ARG A 16 6.149 -5.884 8.098 1.00 1.86 H new ATOM 0 HH22 ARG A 16 7.860 -5.453 8.185 1.00 1.86 H new ATOM 274 N PHE A 17 4.796 -6.570 1.385 1.00 0.23 N ATOM 275 CA PHE A 17 5.680 -6.137 0.316 1.00 0.24 C ATOM 276 C PHE A 17 6.917 -5.495 0.914 1.00 0.30 C ATOM 277 O PHE A 17 6.852 -4.896 1.986 1.00 0.55 O ATOM 278 CB PHE A 17 4.998 -5.126 -0.611 1.00 0.28 C ATOM 279 CG PHE A 17 3.748 -5.623 -1.271 1.00 0.29 C ATOM 280 CD1 PHE A 17 3.806 -6.641 -2.208 1.00 0.33 C ATOM 281 CD2 PHE A 17 2.516 -5.085 -0.945 1.00 0.34 C ATOM 282 CE1 PHE A 17 2.657 -7.107 -2.810 1.00 0.39 C ATOM 283 CE2 PHE A 17 1.363 -5.550 -1.545 1.00 0.40 C ATOM 284 CZ PHE A 17 1.433 -6.528 -2.505 1.00 0.41 C ATOM 0 H PHE A 17 4.310 -5.812 1.864 1.00 0.23 H new ATOM 0 HA PHE A 17 5.946 -7.016 -0.271 1.00 0.24 H new ATOM 0 HB2 PHE A 17 4.758 -4.232 -0.036 1.00 0.28 H new ATOM 0 HB3 PHE A 17 5.706 -4.827 -1.384 1.00 0.28 H new ATOM 0 HD1 PHE A 17 4.760 -7.074 -2.469 1.00 0.33 H new ATOM 0 HD2 PHE A 17 2.456 -4.293 -0.213 1.00 0.34 H new ATOM 0 HE1 PHE A 17 2.709 -7.921 -3.518 1.00 0.39 H new ATOM 0 HE2 PHE A 17 0.404 -5.143 -1.258 1.00 0.40 H new ATOM 0 HZ PHE A 17 0.539 -6.846 -3.021 1.00 0.41 H new ATOM 294 N GLU A 18 8.033 -5.621 0.227 1.00 0.22 N ATOM 295 CA GLU A 18 9.271 -5.006 0.663 1.00 0.25 C ATOM 296 C GLU A 18 10.030 -4.506 -0.550 1.00 0.29 C ATOM 297 O GLU A 18 10.270 -5.255 -1.493 1.00 0.39 O ATOM 298 CB GLU A 18 10.111 -6.009 1.458 1.00 0.34 C ATOM 299 CG GLU A 18 11.073 -5.374 2.443 1.00 1.08 C ATOM 300 CD GLU A 18 11.751 -6.409 3.314 1.00 0.96 C ATOM 301 OE1 GLU A 18 12.728 -7.035 2.853 1.00 0.85 O ATOM 302 OE2 GLU A 18 11.321 -6.596 4.471 1.00 1.16 O ATOM 0 H GLU A 18 8.109 -6.148 -0.643 1.00 0.22 H new ATOM 0 HA GLU A 18 9.051 -4.163 1.318 1.00 0.25 H new ATOM 0 HB2 GLU A 18 9.442 -6.676 2.001 1.00 0.34 H new ATOM 0 HB3 GLU A 18 10.678 -6.625 0.760 1.00 0.34 H new ATOM 0 HG2 GLU A 18 11.828 -4.806 1.899 1.00 1.08 H new ATOM 0 HG3 GLU A 18 10.534 -4.666 3.073 1.00 1.08 H new ATOM 309 N THR A 19 10.368 -3.228 -0.536 1.00 0.25 N ATOM 310 CA THR A 19 11.108 -2.624 -1.628 1.00 0.29 C ATOM 311 C THR A 19 12.469 -3.297 -1.767 1.00 0.35 C ATOM 312 O THR A 19 12.916 -4.018 -0.873 1.00 0.37 O ATOM 313 CB THR A 19 11.295 -1.104 -1.395 1.00 0.33 C ATOM 314 OG1 THR A 19 11.871 -0.484 -2.551 1.00 0.46 O ATOM 315 CG2 THR A 19 12.183 -0.839 -0.194 1.00 0.37 C ATOM 0 H THR A 19 10.140 -2.587 0.224 1.00 0.25 H new ATOM 0 HA THR A 19 10.538 -2.764 -2.547 1.00 0.29 H new ATOM 0 HB THR A 19 10.309 -0.679 -1.207 1.00 0.33 H new ATOM 0 HG1 THR A 19 11.980 0.476 -2.387 1.00 0.46 H new ATOM 0 HG21 THR A 19 12.296 0.236 -0.055 1.00 0.37 H new ATOM 0 HG22 THR A 19 11.730 -1.274 0.697 1.00 0.37 H new ATOM 0 HG23 THR A 19 13.162 -1.288 -0.359 1.00 0.37 H new ATOM 323 N GLU A 20 13.126 -3.027 -2.877 1.00 0.43 N ATOM 324 CA GLU A 20 14.451 -3.560 -3.167 1.00 0.53 C ATOM 325 C GLU A 20 15.466 -3.085 -2.134 1.00 0.56 C ATOM 326 O GLU A 20 16.609 -3.535 -2.100 1.00 0.68 O ATOM 327 CB GLU A 20 14.856 -3.091 -4.555 1.00 0.62 C ATOM 328 CG GLU A 20 15.053 -1.587 -4.637 1.00 0.77 C ATOM 329 CD GLU A 20 15.082 -1.080 -6.055 1.00 1.31 C ATOM 330 OE1 GLU A 20 16.121 -1.258 -6.724 1.00 1.83 O ATOM 331 OE2 GLU A 20 14.069 -0.511 -6.506 1.00 1.90 O ATOM 0 H GLU A 20 12.755 -2.426 -3.613 1.00 0.43 H new ATOM 0 HA GLU A 20 14.425 -4.649 -3.127 1.00 0.53 H new ATOM 0 HB2 GLU A 20 15.780 -3.590 -4.846 1.00 0.62 H new ATOM 0 HB3 GLU A 20 14.092 -3.392 -5.272 1.00 0.62 H new ATOM 0 HG2 GLU A 20 14.249 -1.090 -4.094 1.00 0.77 H new ATOM 0 HG3 GLU A 20 15.986 -1.319 -4.141 1.00 0.77 H new ATOM 338 N ASP A 21 15.019 -2.182 -1.289 1.00 0.52 N ATOM 339 CA ASP A 21 15.870 -1.573 -0.292 1.00 0.60 C ATOM 340 C ASP A 21 15.656 -2.251 1.057 1.00 0.54 C ATOM 341 O ASP A 21 16.467 -2.111 1.969 1.00 0.59 O ATOM 342 CB ASP A 21 15.548 -0.081 -0.221 1.00 0.67 C ATOM 343 CG ASP A 21 16.532 0.724 0.595 1.00 0.97 C ATOM 344 OD1 ASP A 21 17.746 0.460 0.511 1.00 1.39 O ATOM 345 OD2 ASP A 21 16.087 1.669 1.276 1.00 1.31 O ATOM 0 H ASP A 21 14.055 -1.850 -1.274 1.00 0.52 H new ATOM 0 HA ASP A 21 16.919 -1.696 -0.561 1.00 0.60 H new ATOM 0 HB2 ASP A 21 15.517 0.322 -1.233 1.00 0.67 H new ATOM 0 HB3 ASP A 21 14.552 0.045 0.203 1.00 0.67 H new ATOM 350 N HIS A 22 14.544 -2.992 1.157 1.00 0.45 N ATOM 351 CA HIS A 22 14.176 -3.767 2.358 1.00 0.45 C ATOM 352 C HIS A 22 13.829 -2.869 3.547 1.00 0.44 C ATOM 353 O HIS A 22 13.210 -3.312 4.516 1.00 0.51 O ATOM 354 CB HIS A 22 15.292 -4.743 2.747 1.00 0.57 C ATOM 355 CG HIS A 22 15.620 -5.734 1.674 1.00 0.64 C ATOM 356 ND1 HIS A 22 14.903 -6.890 1.466 1.00 0.65 N ATOM 357 CD2 HIS A 22 16.596 -5.727 0.740 1.00 0.74 C ATOM 358 CE1 HIS A 22 15.425 -7.552 0.452 1.00 0.76 C ATOM 359 NE2 HIS A 22 16.455 -6.865 -0.010 1.00 0.82 N ATOM 0 H HIS A 22 13.865 -3.073 0.400 1.00 0.45 H new ATOM 0 HA HIS A 22 13.281 -4.333 2.099 1.00 0.45 H new ATOM 0 HB2 HIS A 22 16.190 -4.176 2.994 1.00 0.57 H new ATOM 0 HB3 HIS A 22 14.996 -5.280 3.648 1.00 0.57 H new ATOM 0 HD1 HIS A 22 14.094 -7.188 2.011 1.00 0.65 H new ATOM 0 HD2 HIS A 22 17.349 -4.964 0.609 1.00 0.74 H new ATOM 0 HE1 HIS A 22 15.071 -8.496 0.065 1.00 0.76 H new ATOM 368 N GLU A 23 14.233 -1.614 3.473 1.00 0.47 N ATOM 369 CA GLU A 23 13.942 -0.649 4.517 1.00 0.52 C ATOM 370 C GLU A 23 12.480 -0.234 4.460 1.00 0.40 C ATOM 371 O GLU A 23 11.845 0.002 5.485 1.00 0.49 O ATOM 372 CB GLU A 23 14.833 0.575 4.354 1.00 0.69 C ATOM 373 CG GLU A 23 16.317 0.262 4.389 1.00 0.84 C ATOM 374 CD GLU A 23 16.757 -0.273 5.735 1.00 1.51 C ATOM 375 OE1 GLU A 23 17.017 0.541 6.649 1.00 1.72 O ATOM 376 OE2 GLU A 23 16.853 -1.510 5.882 1.00 2.28 O ATOM 0 H GLU A 23 14.769 -1.236 2.692 1.00 0.47 H new ATOM 0 HA GLU A 23 14.139 -1.110 5.485 1.00 0.52 H new ATOM 0 HB2 GLU A 23 14.596 1.062 3.408 1.00 0.69 H new ATOM 0 HB3 GLU A 23 14.603 1.288 5.146 1.00 0.69 H new ATOM 0 HG2 GLU A 23 16.551 -0.469 3.615 1.00 0.84 H new ATOM 0 HG3 GLU A 23 16.882 1.164 4.156 1.00 0.84 H new ATOM 383 N ALA A 24 11.958 -0.145 3.246 1.00 0.29 N ATOM 384 CA ALA A 24 10.563 0.201 3.037 1.00 0.22 C ATOM 385 C ALA A 24 9.745 -1.055 2.824 1.00 0.17 C ATOM 386 O ALA A 24 10.122 -1.921 2.030 1.00 0.19 O ATOM 387 CB ALA A 24 10.407 1.127 1.845 1.00 0.26 C ATOM 0 H ALA A 24 12.484 -0.309 2.387 1.00 0.29 H new ATOM 0 HA ALA A 24 10.203 0.720 3.925 1.00 0.22 H new ATOM 0 HB1 ALA A 24 9.353 1.371 1.709 1.00 0.26 H new ATOM 0 HB2 ALA A 24 10.972 2.043 2.019 1.00 0.26 H new ATOM 0 HB3 ALA A 24 10.783 0.633 0.949 1.00 0.26 H new ATOM 393 N PHE A 25 8.626 -1.146 3.514 1.00 0.14 N ATOM 394 CA PHE A 25 7.789 -2.327 3.445 1.00 0.15 C ATOM 395 C PHE A 25 6.339 -1.988 3.759 1.00 0.15 C ATOM 396 O PHE A 25 6.042 -0.948 4.352 1.00 0.17 O ATOM 397 CB PHE A 25 8.302 -3.408 4.409 1.00 0.23 C ATOM 398 CG PHE A 25 8.493 -2.929 5.825 1.00 0.30 C ATOM 399 CD1 PHE A 25 7.441 -2.950 6.731 1.00 0.39 C ATOM 400 CD2 PHE A 25 9.726 -2.461 6.252 1.00 0.37 C ATOM 401 CE1 PHE A 25 7.616 -2.512 8.030 1.00 0.49 C ATOM 402 CE2 PHE A 25 9.905 -2.022 7.550 1.00 0.47 C ATOM 403 CZ PHE A 25 8.848 -2.048 8.439 1.00 0.52 C ATOM 0 H PHE A 25 8.274 -0.414 4.131 1.00 0.14 H new ATOM 0 HA PHE A 25 7.837 -2.713 2.427 1.00 0.15 H new ATOM 0 HB2 PHE A 25 7.600 -4.241 4.410 1.00 0.23 H new ATOM 0 HB3 PHE A 25 9.251 -3.792 4.035 1.00 0.23 H new ATOM 0 HD1 PHE A 25 6.474 -3.313 6.417 1.00 0.39 H new ATOM 0 HD2 PHE A 25 10.557 -2.439 5.562 1.00 0.37 H new ATOM 0 HE1 PHE A 25 6.789 -2.533 8.724 1.00 0.49 H new ATOM 0 HE2 PHE A 25 10.871 -1.659 7.869 1.00 0.47 H new ATOM 0 HZ PHE A 25 8.987 -1.705 9.454 1.00 0.52 H new ATOM 413 N ILE A 26 5.453 -2.877 3.346 1.00 0.20 N ATOM 414 CA ILE A 26 4.029 -2.759 3.598 1.00 0.23 C ATOM 415 C ILE A 26 3.490 -4.103 4.045 1.00 0.23 C ATOM 416 O ILE A 26 3.785 -5.128 3.431 1.00 0.26 O ATOM 417 CB ILE A 26 3.274 -2.278 2.330 1.00 0.31 C ATOM 418 CG1 ILE A 26 3.055 -0.765 2.386 1.00 0.41 C ATOM 419 CG2 ILE A 26 1.938 -3.013 2.146 1.00 0.39 C ATOM 420 CD1 ILE A 26 1.703 -0.358 2.907 1.00 0.73 C ATOM 0 H ILE A 26 5.707 -3.713 2.819 1.00 0.20 H new ATOM 0 HA ILE A 26 3.872 -2.018 4.381 1.00 0.23 H new ATOM 0 HB ILE A 26 3.894 -2.514 1.466 1.00 0.31 H new ATOM 0 HG12 ILE A 26 3.824 -0.321 3.017 1.00 0.41 H new ATOM 0 HG13 ILE A 26 3.186 -0.353 1.386 1.00 0.41 H new ATOM 0 HG21 ILE A 26 1.442 -2.646 1.247 1.00 0.39 H new ATOM 0 HG22 ILE A 26 2.122 -4.083 2.048 1.00 0.39 H new ATOM 0 HG23 ILE A 26 1.301 -2.832 3.012 1.00 0.39 H new ATOM 0 HD11 ILE A 26 1.628 0.729 2.915 1.00 0.73 H new ATOM 0 HD12 ILE A 26 0.926 -0.770 2.264 1.00 0.73 H new ATOM 0 HD13 ILE A 26 1.574 -0.738 3.921 1.00 0.73 H new ATOM 432 N GLU A 27 2.733 -4.109 5.122 1.00 0.22 N ATOM 433 CA GLU A 27 2.098 -5.327 5.578 1.00 0.23 C ATOM 434 C GLU A 27 0.620 -5.262 5.227 1.00 0.22 C ATOM 435 O GLU A 27 0.065 -4.172 5.114 1.00 0.27 O ATOM 436 CB GLU A 27 2.289 -5.478 7.090 1.00 0.26 C ATOM 437 CG GLU A 27 1.746 -6.778 7.658 1.00 0.65 C ATOM 438 CD GLU A 27 1.804 -6.814 9.170 1.00 1.14 C ATOM 439 OE1 GLU A 27 2.880 -7.140 9.722 1.00 1.23 O ATOM 440 OE2 GLU A 27 0.772 -6.532 9.815 1.00 1.65 O ATOM 0 H GLU A 27 2.543 -3.288 5.696 1.00 0.22 H new ATOM 0 HA GLU A 27 2.548 -6.193 5.092 1.00 0.23 H new ATOM 0 HB2 GLU A 27 3.352 -5.410 7.319 1.00 0.26 H new ATOM 0 HB3 GLU A 27 1.801 -4.643 7.592 1.00 0.26 H new ATOM 0 HG2 GLU A 27 0.714 -6.911 7.333 1.00 0.65 H new ATOM 0 HG3 GLU A 27 2.317 -7.614 7.255 1.00 0.65 H new ATOM 447 N TYR A 28 -0.017 -6.400 5.008 1.00 0.23 N ATOM 448 CA TYR A 28 -1.458 -6.403 4.851 1.00 0.22 C ATOM 449 C TYR A 28 -2.046 -7.749 5.231 1.00 0.28 C ATOM 450 O TYR A 28 -1.352 -8.765 5.245 1.00 0.45 O ATOM 451 CB TYR A 28 -1.883 -5.984 3.429 1.00 0.29 C ATOM 452 CG TYR A 28 -1.538 -6.943 2.309 1.00 0.35 C ATOM 453 CD1 TYR A 28 -2.382 -7.996 1.984 1.00 0.44 C ATOM 454 CD2 TYR A 28 -0.342 -6.820 1.607 1.00 0.40 C ATOM 455 CE1 TYR A 28 -2.045 -8.898 0.992 1.00 0.56 C ATOM 456 CE2 TYR A 28 -0.005 -7.713 0.608 1.00 0.50 C ATOM 457 CZ TYR A 28 -0.950 -8.659 0.199 1.00 0.60 C ATOM 458 OH TYR A 28 -0.515 -9.654 -0.674 1.00 0.70 O ATOM 0 H TYR A 28 0.430 -7.314 4.936 1.00 0.23 H new ATOM 0 HA TYR A 28 -1.861 -5.657 5.536 1.00 0.22 H new ATOM 0 HB2 TYR A 28 -2.962 -5.832 3.427 1.00 0.29 H new ATOM 0 HB3 TYR A 28 -1.425 -5.021 3.206 1.00 0.29 H new ATOM 0 HD1 TYR A 28 -3.316 -8.112 2.514 1.00 0.44 H new ATOM 0 HD2 TYR A 28 0.334 -6.013 1.847 1.00 0.40 H new ATOM 0 HE1 TYR A 28 -2.640 -9.786 0.842 1.00 0.56 H new ATOM 0 HE2 TYR A 28 0.973 -7.681 0.150 1.00 0.50 H new ATOM 0 HH TYR A 28 0.452 -9.570 -0.810 1.00 0.70 H new ATOM 468 N LYS A 29 -3.319 -7.739 5.572 1.00 0.24 N ATOM 469 CA LYS A 29 -4.022 -8.953 5.930 1.00 0.32 C ATOM 470 C LYS A 29 -5.376 -8.969 5.245 1.00 0.25 C ATOM 471 O LYS A 29 -5.994 -7.925 5.049 1.00 0.31 O ATOM 472 CB LYS A 29 -4.185 -9.075 7.453 1.00 0.49 C ATOM 473 CG LYS A 29 -4.825 -7.866 8.121 1.00 0.58 C ATOM 474 CD LYS A 29 -3.782 -6.930 8.723 1.00 0.74 C ATOM 475 CE LYS A 29 -3.008 -7.604 9.849 1.00 1.09 C ATOM 476 NZ LYS A 29 -2.093 -6.665 10.556 1.00 1.52 N ATOM 0 H LYS A 29 -3.891 -6.895 5.609 1.00 0.24 H new ATOM 0 HA LYS A 29 -3.436 -9.809 5.596 1.00 0.32 H new ATOM 0 HB2 LYS A 29 -4.789 -9.956 7.671 1.00 0.49 H new ATOM 0 HB3 LYS A 29 -3.204 -9.243 7.898 1.00 0.49 H new ATOM 0 HG2 LYS A 29 -5.423 -7.321 7.390 1.00 0.58 H new ATOM 0 HG3 LYS A 29 -5.506 -8.202 8.903 1.00 0.58 H new ATOM 0 HD2 LYS A 29 -3.089 -6.608 7.946 1.00 0.74 H new ATOM 0 HD3 LYS A 29 -4.272 -6.034 9.103 1.00 0.74 H new ATOM 0 HE2 LYS A 29 -3.711 -8.029 10.565 1.00 1.09 H new ATOM 0 HE3 LYS A 29 -2.429 -8.433 9.442 1.00 1.09 H new ATOM 0 HZ1 LYS A 29 -2.028 -6.933 11.559 1.00 1.52 H new ATOM 0 HZ2 LYS A 29 -1.148 -6.710 10.124 1.00 1.52 H new ATOM 0 HZ3 LYS A 29 -2.463 -5.696 10.479 1.00 1.52 H new ATOM 490 N MET A 30 -5.830 -10.144 4.869 1.00 0.32 N ATOM 491 CA MET A 30 -7.090 -10.270 4.161 1.00 0.27 C ATOM 492 C MET A 30 -8.212 -10.512 5.161 1.00 0.30 C ATOM 493 O MET A 30 -8.274 -11.557 5.806 1.00 0.39 O ATOM 494 CB MET A 30 -7.025 -11.414 3.150 1.00 0.36 C ATOM 495 CG MET A 30 -5.873 -11.298 2.168 1.00 1.00 C ATOM 496 SD MET A 30 -5.822 -12.671 1.002 1.00 1.12 S ATOM 497 CE MET A 30 -4.289 -12.330 0.144 1.00 1.85 C ATOM 0 H MET A 30 -5.348 -11.027 5.040 1.00 0.32 H new ATOM 0 HA MET A 30 -7.286 -9.346 3.617 1.00 0.27 H new ATOM 0 HB2 MET A 30 -6.938 -12.358 3.688 1.00 0.36 H new ATOM 0 HB3 MET A 30 -7.962 -11.449 2.594 1.00 0.36 H new ATOM 0 HG2 MET A 30 -5.961 -10.361 1.618 1.00 1.00 H new ATOM 0 HG3 MET A 30 -4.933 -11.257 2.718 1.00 1.00 H new ATOM 0 HE1 MET A 30 -4.438 -12.451 -0.929 1.00 1.85 H new ATOM 0 HE2 MET A 30 -3.974 -11.308 0.354 1.00 1.85 H new ATOM 0 HE3 MET A 30 -3.520 -13.023 0.484 1.00 1.85 H new ATOM 507 N ARG A 31 -9.082 -9.531 5.287 1.00 0.29 N ATOM 508 CA ARG A 31 -10.171 -9.568 6.240 1.00 0.39 C ATOM 509 C ARG A 31 -11.465 -9.953 5.539 1.00 0.42 C ATOM 510 O ARG A 31 -11.547 -9.896 4.309 1.00 0.38 O ATOM 511 CB ARG A 31 -10.313 -8.197 6.906 1.00 0.46 C ATOM 512 CG ARG A 31 -9.154 -7.860 7.839 1.00 0.67 C ATOM 513 CD ARG A 31 -9.179 -6.407 8.293 1.00 0.66 C ATOM 514 NE ARG A 31 -10.371 -6.085 9.075 1.00 0.98 N ATOM 515 CZ ARG A 31 -10.662 -4.864 9.517 1.00 1.28 C ATOM 516 NH1 ARG A 31 -9.830 -3.850 9.297 1.00 1.41 N ATOM 517 NH2 ARG A 31 -11.786 -4.658 10.194 1.00 2.03 N ATOM 0 H ARG A 31 -9.053 -8.679 4.726 1.00 0.29 H new ATOM 0 HA ARG A 31 -9.957 -10.315 7.005 1.00 0.39 H new ATOM 0 HB2 ARG A 31 -10.384 -7.431 6.134 1.00 0.46 H new ATOM 0 HB3 ARG A 31 -11.245 -8.169 7.470 1.00 0.46 H new ATOM 0 HG2 ARG A 31 -9.193 -8.511 8.712 1.00 0.67 H new ATOM 0 HG3 ARG A 31 -8.211 -8.063 7.331 1.00 0.67 H new ATOM 0 HD2 ARG A 31 -8.290 -6.201 8.890 1.00 0.66 H new ATOM 0 HD3 ARG A 31 -9.135 -5.756 7.420 1.00 0.66 H new ATOM 0 HE ARG A 31 -11.019 -6.842 9.295 1.00 0.98 H new ATOM 0 HH11 ARG A 31 -8.961 -4.005 8.786 1.00 1.41 H new ATOM 0 HH12 ARG A 31 -10.061 -2.917 9.639 1.00 1.41 H new ATOM 0 HH21 ARG A 31 -12.423 -5.434 10.374 1.00 2.03 H new ATOM 0 HH22 ARG A 31 -12.012 -3.723 10.534 1.00 2.03 H new ATOM 531 N ASN A 32 -12.455 -10.361 6.324 1.00 0.55 N ATOM 532 CA ASN A 32 -13.774 -10.710 5.800 1.00 0.64 C ATOM 533 C ASN A 32 -13.671 -11.842 4.784 1.00 0.65 C ATOM 534 O ASN A 32 -13.894 -11.636 3.592 1.00 0.66 O ATOM 535 CB ASN A 32 -14.423 -9.481 5.158 1.00 0.64 C ATOM 536 CG ASN A 32 -15.899 -9.666 4.873 1.00 0.77 C ATOM 537 OD1 ASN A 32 -16.584 -10.451 5.530 1.00 1.15 O ATOM 538 ND2 ASN A 32 -16.399 -8.915 3.910 1.00 0.99 N ATOM 0 H ASN A 32 -12.369 -10.460 7.336 1.00 0.55 H new ATOM 0 HA ASN A 32 -14.396 -11.050 6.628 1.00 0.64 H new ATOM 0 HB2 ASN A 32 -14.292 -8.623 5.817 1.00 0.64 H new ATOM 0 HB3 ASN A 32 -13.906 -9.250 4.227 1.00 0.64 H new ATOM 0 HD21 ASN A 32 -17.392 -8.971 3.683 1.00 0.99 H new ATOM 0 HD22 ASN A 32 -15.793 -8.279 3.392 1.00 0.99 H new ATOM 545 N ASN A 33 -13.276 -13.023 5.261 1.00 0.73 N ATOM 546 CA ASN A 33 -13.113 -14.212 4.410 1.00 0.83 C ATOM 547 C ASN A 33 -11.978 -14.012 3.397 1.00 0.78 C ATOM 548 O ASN A 33 -11.730 -14.859 2.536 1.00 1.04 O ATOM 549 CB ASN A 33 -14.430 -14.548 3.689 1.00 0.95 C ATOM 550 CG ASN A 33 -14.375 -15.865 2.931 1.00 1.62 C ATOM 551 OD1 ASN A 33 -13.694 -16.806 3.341 1.00 1.82 O ATOM 552 ND2 ASN A 33 -15.081 -15.936 1.814 1.00 2.33 N ATOM 0 H ASN A 33 -13.060 -13.187 6.244 1.00 0.73 H new ATOM 0 HA ASN A 33 -12.848 -15.052 5.052 1.00 0.83 H new ATOM 0 HB2 ASN A 33 -15.237 -14.590 4.420 1.00 0.95 H new ATOM 0 HB3 ASN A 33 -14.672 -13.745 2.993 1.00 0.95 H new ATOM 0 HD21 ASN A 33 -15.073 -16.792 1.259 1.00 2.33 H new ATOM 0 HD22 ASN A 33 -15.633 -15.135 1.508 1.00 2.33 H new ATOM 559 N GLY A 34 -11.276 -12.895 3.517 1.00 0.55 N ATOM 560 CA GLY A 34 -10.189 -12.601 2.608 1.00 0.52 C ATOM 561 C GLY A 34 -10.640 -11.772 1.430 1.00 0.48 C ATOM 562 O GLY A 34 -9.981 -11.747 0.392 1.00 0.62 O ATOM 0 H GLY A 34 -11.441 -12.185 4.230 1.00 0.55 H new ATOM 0 HA2 GLY A 34 -9.403 -12.070 3.144 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -9.755 -13.534 2.249 1.00 0.52 H new ATOM 566 N LYS A 35 -11.765 -11.090 1.581 1.00 0.40 N ATOM 567 CA LYS A 35 -12.309 -10.287 0.498 1.00 0.40 C ATOM 568 C LYS A 35 -11.887 -8.834 0.645 1.00 0.28 C ATOM 569 O LYS A 35 -12.063 -8.031 -0.270 1.00 0.28 O ATOM 570 CB LYS A 35 -13.837 -10.382 0.462 1.00 0.52 C ATOM 571 CG LYS A 35 -14.371 -11.804 0.568 1.00 0.67 C ATOM 572 CD LYS A 35 -13.671 -12.754 -0.401 1.00 0.85 C ATOM 573 CE LYS A 35 -13.846 -12.320 -1.849 1.00 1.14 C ATOM 574 NZ LYS A 35 -15.256 -12.436 -2.305 1.00 1.60 N ATOM 0 H LYS A 35 -12.317 -11.077 2.439 1.00 0.40 H new ATOM 0 HA LYS A 35 -11.913 -10.678 -0.439 1.00 0.40 H new ATOM 0 HB2 LYS A 35 -14.247 -9.789 1.279 1.00 0.52 H new ATOM 0 HB3 LYS A 35 -14.197 -9.938 -0.466 1.00 0.52 H new ATOM 0 HG2 LYS A 35 -14.239 -12.165 1.588 1.00 0.67 H new ATOM 0 HG3 LYS A 35 -15.442 -11.805 0.366 1.00 0.67 H new ATOM 0 HD2 LYS A 35 -12.609 -12.799 -0.161 1.00 0.85 H new ATOM 0 HD3 LYS A 35 -14.069 -13.761 -0.273 1.00 0.85 H new ATOM 0 HE2 LYS A 35 -13.514 -11.288 -1.959 1.00 1.14 H new ATOM 0 HE3 LYS A 35 -13.208 -12.930 -2.489 1.00 1.14 H new ATOM 0 HZ1 LYS A 35 -15.313 -12.211 -3.319 1.00 1.60 H new ATOM 0 HZ2 LYS A 35 -15.593 -13.407 -2.146 1.00 1.60 H new ATOM 0 HZ3 LYS A 35 -15.850 -11.771 -1.769 1.00 1.60 H new ATOM 588 N VAL A 36 -11.345 -8.497 1.806 1.00 0.25 N ATOM 589 CA VAL A 36 -10.843 -7.154 2.042 1.00 0.19 C ATOM 590 C VAL A 36 -9.372 -7.198 2.436 1.00 0.16 C ATOM 591 O VAL A 36 -9.006 -7.859 3.391 1.00 0.22 O ATOM 592 CB VAL A 36 -11.653 -6.439 3.148 1.00 0.24 C ATOM 593 CG1 VAL A 36 -11.078 -5.060 3.440 1.00 0.31 C ATOM 594 CG2 VAL A 36 -13.121 -6.334 2.758 1.00 0.30 C ATOM 0 H VAL A 36 -11.242 -9.134 2.596 1.00 0.25 H new ATOM 0 HA VAL A 36 -10.953 -6.593 1.114 1.00 0.19 H new ATOM 0 HB VAL A 36 -11.580 -7.036 4.057 1.00 0.24 H new ATOM 0 HG11 VAL A 36 -11.666 -4.579 4.221 1.00 0.31 H new ATOM 0 HG12 VAL A 36 -10.045 -5.160 3.773 1.00 0.31 H new ATOM 0 HG13 VAL A 36 -11.111 -4.453 2.535 1.00 0.31 H new ATOM 0 HG21 VAL A 36 -13.673 -5.828 3.550 1.00 0.30 H new ATOM 0 HG22 VAL A 36 -13.212 -5.766 1.832 1.00 0.30 H new ATOM 0 HG23 VAL A 36 -13.531 -7.333 2.612 1.00 0.30 H new ATOM 604 N MET A 37 -8.534 -6.498 1.702 1.00 0.15 N ATOM 605 CA MET A 37 -7.126 -6.419 2.042 1.00 0.18 C ATOM 606 C MET A 37 -6.868 -5.211 2.910 1.00 0.16 C ATOM 607 O MET A 37 -7.051 -4.075 2.485 1.00 0.17 O ATOM 608 CB MET A 37 -6.254 -6.354 0.786 1.00 0.24 C ATOM 609 CG MET A 37 -6.114 -7.680 0.064 1.00 0.51 C ATOM 610 SD MET A 37 -4.906 -7.609 -1.274 1.00 1.03 S ATOM 611 CE MET A 37 -4.964 -9.294 -1.869 1.00 1.66 C ATOM 0 H MET A 37 -8.800 -5.976 0.867 1.00 0.15 H new ATOM 0 HA MET A 37 -6.862 -7.322 2.592 1.00 0.18 H new ATOM 0 HB2 MET A 37 -6.678 -5.621 0.099 1.00 0.24 H new ATOM 0 HB3 MET A 37 -5.262 -5.996 1.063 1.00 0.24 H new ATOM 0 HG2 MET A 37 -5.818 -8.450 0.777 1.00 0.51 H new ATOM 0 HG3 MET A 37 -7.083 -7.975 -0.340 1.00 0.51 H new ATOM 0 HE1 MET A 37 -4.913 -9.297 -2.958 1.00 1.66 H new ATOM 0 HE2 MET A 37 -4.119 -9.852 -1.465 1.00 1.66 H new ATOM 0 HE3 MET A 37 -5.895 -9.761 -1.548 1.00 1.66 H new ATOM 621 N ASP A 38 -6.469 -5.457 4.137 1.00 0.17 N ATOM 622 CA ASP A 38 -6.154 -4.383 5.049 1.00 0.18 C ATOM 623 C ASP A 38 -4.698 -4.011 4.895 1.00 0.18 C ATOM 624 O ASP A 38 -3.812 -4.740 5.337 1.00 0.20 O ATOM 625 CB ASP A 38 -6.442 -4.818 6.481 1.00 0.24 C ATOM 626 CG ASP A 38 -6.434 -3.669 7.476 1.00 0.32 C ATOM 627 OD1 ASP A 38 -5.507 -2.836 7.401 1.00 0.97 O ATOM 628 OD2 ASP A 38 -7.363 -3.568 8.308 1.00 0.81 O ATOM 0 H ASP A 38 -6.355 -6.393 4.526 1.00 0.17 H new ATOM 0 HA ASP A 38 -6.772 -3.514 4.821 1.00 0.18 H new ATOM 0 HB2 ASP A 38 -7.414 -5.311 6.514 1.00 0.24 H new ATOM 0 HB3 ASP A 38 -5.700 -5.556 6.784 1.00 0.24 H new ATOM 633 N LEU A 39 -4.467 -2.876 4.270 1.00 0.18 N ATOM 634 CA LEU A 39 -3.126 -2.398 4.016 1.00 0.19 C ATOM 635 C LEU A 39 -2.610 -1.735 5.265 1.00 0.20 C ATOM 636 O LEU A 39 -2.964 -0.600 5.572 1.00 0.28 O ATOM 637 CB LEU A 39 -3.117 -1.425 2.831 1.00 0.20 C ATOM 638 CG LEU A 39 -3.111 -2.075 1.446 1.00 0.19 C ATOM 639 CD1 LEU A 39 -4.134 -3.191 1.336 1.00 0.18 C ATOM 640 CD2 LEU A 39 -3.364 -1.027 0.379 1.00 0.22 C ATOM 0 H LEU A 39 -5.203 -2.260 3.924 1.00 0.18 H new ATOM 0 HA LEU A 39 -2.477 -3.234 3.755 1.00 0.19 H new ATOM 0 HB2 LEU A 39 -3.992 -0.779 2.907 1.00 0.20 H new ATOM 0 HB3 LEU A 39 -2.240 -0.784 2.916 1.00 0.20 H new ATOM 0 HG LEU A 39 -2.127 -2.518 1.295 1.00 0.19 H new ATOM 0 HD11 LEU A 39 -4.094 -3.624 0.336 1.00 0.18 H new ATOM 0 HD12 LEU A 39 -3.912 -3.962 2.074 1.00 0.18 H new ATOM 0 HD13 LEU A 39 -5.131 -2.790 1.519 1.00 0.18 H new ATOM 0 HD21 LEU A 39 -3.358 -1.499 -0.603 1.00 0.22 H new ATOM 0 HD22 LEU A 39 -4.334 -0.559 0.551 1.00 0.22 H new ATOM 0 HD23 LEU A 39 -2.583 -0.268 0.422 1.00 0.22 H new ATOM 652 N VAL A 40 -1.778 -2.448 5.985 1.00 0.17 N ATOM 653 CA VAL A 40 -1.409 -2.041 7.314 1.00 0.20 C ATOM 654 C VAL A 40 0.081 -1.730 7.420 1.00 0.18 C ATOM 655 O VAL A 40 0.935 -2.611 7.328 1.00 0.23 O ATOM 656 CB VAL A 40 -1.830 -3.107 8.352 1.00 0.29 C ATOM 657 CG1 VAL A 40 -1.193 -4.459 8.068 1.00 0.84 C ATOM 658 CG2 VAL A 40 -1.512 -2.649 9.765 1.00 0.88 C ATOM 0 H VAL A 40 -1.344 -3.315 5.669 1.00 0.17 H new ATOM 0 HA VAL A 40 -1.946 -1.119 7.534 1.00 0.20 H new ATOM 0 HB VAL A 40 -2.910 -3.230 8.265 1.00 0.29 H new ATOM 0 HG11 VAL A 40 -1.515 -5.178 8.821 1.00 0.84 H new ATOM 0 HG12 VAL A 40 -1.499 -4.805 7.081 1.00 0.84 H new ATOM 0 HG13 VAL A 40 -0.108 -4.363 8.099 1.00 0.84 H new ATOM 0 HG21 VAL A 40 -1.819 -3.418 10.474 1.00 0.88 H new ATOM 0 HG22 VAL A 40 -0.440 -2.476 9.859 1.00 0.88 H new ATOM 0 HG23 VAL A 40 -2.049 -1.725 9.977 1.00 0.88 H new ATOM 668 N HIS A 41 0.362 -0.448 7.570 1.00 0.16 N ATOM 669 CA HIS A 41 1.692 0.055 7.890 1.00 0.17 C ATOM 670 C HIS A 41 2.568 0.192 6.661 1.00 0.14 C ATOM 671 O HIS A 41 3.180 -0.772 6.201 1.00 0.17 O ATOM 672 CB HIS A 41 2.395 -0.801 8.954 1.00 0.22 C ATOM 673 CG HIS A 41 3.429 -0.049 9.737 1.00 0.42 C ATOM 674 ND1 HIS A 41 3.393 0.059 11.105 1.00 0.98 N ATOM 675 CD2 HIS A 41 4.519 0.644 9.337 1.00 0.56 C ATOM 676 CE1 HIS A 41 4.412 0.786 11.515 1.00 1.03 C ATOM 677 NE2 HIS A 41 5.116 1.160 10.461 1.00 0.67 N ATOM 0 H HIS A 41 -0.338 0.288 7.472 1.00 0.16 H new ATOM 0 HA HIS A 41 1.541 1.052 8.305 1.00 0.17 H new ATOM 0 HB2 HIS A 41 1.648 -1.199 9.641 1.00 0.22 H new ATOM 0 HB3 HIS A 41 2.868 -1.655 8.468 1.00 0.22 H new ATOM 0 HD2 HIS A 41 4.858 0.769 8.319 1.00 0.56 H new ATOM 0 HE1 HIS A 41 4.635 1.035 12.542 1.00 1.03 H new ATOM 0 HE2 HIS A 41 5.959 1.734 10.479 1.00 0.67 H new ATOM 686 N THR A 42 2.613 1.406 6.141 1.00 0.16 N ATOM 687 CA THR A 42 3.586 1.773 5.135 1.00 0.16 C ATOM 688 C THR A 42 4.842 2.260 5.843 1.00 0.20 C ATOM 689 O THR A 42 4.758 2.960 6.861 1.00 0.31 O ATOM 690 CB THR A 42 3.056 2.894 4.204 1.00 0.20 C ATOM 691 OG1 THR A 42 4.007 3.184 3.178 1.00 0.22 O ATOM 692 CG2 THR A 42 2.769 4.162 4.993 1.00 0.31 C ATOM 0 H THR A 42 1.978 2.160 6.405 1.00 0.16 H new ATOM 0 HA THR A 42 3.795 0.901 4.516 1.00 0.16 H new ATOM 0 HB THR A 42 2.130 2.539 3.751 1.00 0.20 H new ATOM 0 HG1 THR A 42 3.559 3.180 2.306 1.00 0.22 H new ATOM 0 HG21 THR A 42 2.398 4.934 4.319 1.00 0.31 H new ATOM 0 HG22 THR A 42 2.018 3.954 5.755 1.00 0.31 H new ATOM 0 HG23 THR A 42 3.685 4.508 5.472 1.00 0.31 H new ATOM 700 N TYR A 43 5.995 1.863 5.358 1.00 0.22 N ATOM 701 CA TYR A 43 7.232 2.361 5.912 1.00 0.29 C ATOM 702 C TYR A 43 8.235 2.600 4.805 1.00 0.27 C ATOM 703 O TYR A 43 8.234 1.890 3.806 1.00 0.37 O ATOM 704 CB TYR A 43 7.798 1.394 6.950 1.00 0.45 C ATOM 705 CG TYR A 43 8.746 2.071 7.905 1.00 0.74 C ATOM 706 CD1 TYR A 43 8.368 3.187 8.636 1.00 1.15 C ATOM 707 CD2 TYR A 43 10.025 1.569 8.084 1.00 0.94 C ATOM 708 CE1 TYR A 43 9.247 3.787 9.518 1.00 1.53 C ATOM 709 CE2 TYR A 43 10.907 2.160 8.958 1.00 1.34 C ATOM 710 CZ TYR A 43 10.469 3.368 9.652 1.00 1.58 C ATOM 711 OH TYR A 43 11.391 3.862 10.557 1.00 2.02 O ATOM 0 H TYR A 43 6.103 1.203 4.588 1.00 0.22 H new ATOM 0 HA TYR A 43 7.028 3.306 6.415 1.00 0.29 H new ATOM 0 HB2 TYR A 43 6.978 0.947 7.512 1.00 0.45 H new ATOM 0 HB3 TYR A 43 8.317 0.581 6.441 1.00 0.45 H new ATOM 0 HD1 TYR A 43 7.374 3.592 8.515 1.00 1.15 H new ATOM 0 HD2 TYR A 43 10.335 0.697 7.527 1.00 0.94 H new ATOM 0 HE1 TYR A 43 8.909 4.625 10.110 1.00 1.53 H new ATOM 0 HE2 TYR A 43 11.890 1.745 9.125 1.00 1.34 H new ATOM 0 HH TYR A 43 12.237 3.378 10.459 1.00 2.02 H new ATOM 721 N VAL A 44 9.074 3.608 4.981 1.00 0.25 N ATOM 722 CA VAL A 44 10.074 3.951 3.992 1.00 0.28 C ATOM 723 C VAL A 44 11.253 4.658 4.670 1.00 0.34 C ATOM 724 O VAL A 44 11.059 5.470 5.578 1.00 0.36 O ATOM 725 CB VAL A 44 9.459 4.834 2.868 1.00 0.33 C ATOM 726 CG1 VAL A 44 9.063 6.210 3.384 1.00 0.71 C ATOM 727 CG2 VAL A 44 10.400 4.960 1.681 1.00 0.60 C ATOM 0 H VAL A 44 9.079 4.205 5.808 1.00 0.25 H new ATOM 0 HA VAL A 44 10.440 3.036 3.526 1.00 0.28 H new ATOM 0 HB VAL A 44 8.553 4.330 2.531 1.00 0.33 H new ATOM 0 HG11 VAL A 44 8.638 6.796 2.569 1.00 0.71 H new ATOM 0 HG12 VAL A 44 8.324 6.102 4.177 1.00 0.71 H new ATOM 0 HG13 VAL A 44 9.944 6.719 3.776 1.00 0.71 H new ATOM 0 HG21 VAL A 44 9.938 5.583 0.915 1.00 0.60 H new ATOM 0 HG22 VAL A 44 11.335 5.416 2.005 1.00 0.60 H new ATOM 0 HG23 VAL A 44 10.602 3.971 1.270 1.00 0.60 H new ATOM 737 N PRO A 45 12.493 4.323 4.273 1.00 0.41 N ATOM 738 CA PRO A 45 13.701 4.927 4.847 1.00 0.48 C ATOM 739 C PRO A 45 13.880 6.377 4.425 1.00 0.51 C ATOM 740 O PRO A 45 13.169 6.872 3.546 1.00 0.50 O ATOM 741 CB PRO A 45 14.825 4.070 4.271 1.00 0.61 C ATOM 742 CG PRO A 45 14.278 3.577 2.982 1.00 0.79 C ATOM 743 CD PRO A 45 12.822 3.327 3.240 1.00 0.48 C ATOM 0 HA PRO A 45 13.669 4.947 5.936 1.00 0.48 H new ATOM 0 HB2 PRO A 45 15.734 4.652 4.122 1.00 0.61 H new ATOM 0 HB3 PRO A 45 15.080 3.246 4.937 1.00 0.61 H new ATOM 0 HG2 PRO A 45 14.416 4.312 2.189 1.00 0.79 H new ATOM 0 HG3 PRO A 45 14.783 2.665 2.663 1.00 0.79 H new ATOM 0 HD2 PRO A 45 12.223 3.466 2.340 1.00 0.48 H new ATOM 0 HD3 PRO A 45 12.643 2.310 3.588 1.00 0.48 H new ATOM 751 N SER A 46 14.869 7.036 5.008 1.00 0.63 N ATOM 752 CA SER A 46 15.109 8.449 4.754 1.00 0.77 C ATOM 753 C SER A 46 15.560 8.684 3.311 1.00 0.80 C ATOM 754 O SER A 46 15.519 9.806 2.811 1.00 0.94 O ATOM 755 CB SER A 46 16.157 8.975 5.734 1.00 0.91 C ATOM 756 OG SER A 46 15.803 8.654 7.071 1.00 1.39 O ATOM 0 H SER A 46 15.523 6.611 5.665 1.00 0.63 H new ATOM 0 HA SER A 46 14.175 8.991 4.900 1.00 0.77 H new ATOM 0 HB2 SER A 46 17.130 8.545 5.498 1.00 0.91 H new ATOM 0 HB3 SER A 46 16.251 10.056 5.627 1.00 0.91 H new ATOM 0 HG SER A 46 16.487 8.998 7.682 1.00 1.39 H new ATOM 762 N PHE A 47 15.975 7.613 2.647 1.00 0.75 N ATOM 763 CA PHE A 47 16.439 7.686 1.265 1.00 0.80 C ATOM 764 C PHE A 47 15.286 7.975 0.304 1.00 0.73 C ATOM 765 O PHE A 47 15.459 8.651 -0.708 1.00 0.82 O ATOM 766 CB PHE A 47 17.081 6.362 0.863 1.00 0.83 C ATOM 767 CG PHE A 47 18.109 5.855 1.836 1.00 1.39 C ATOM 768 CD1 PHE A 47 19.296 6.543 2.020 1.00 1.61 C ATOM 769 CD2 PHE A 47 17.888 4.699 2.566 1.00 2.13 C ATOM 770 CE1 PHE A 47 20.245 6.088 2.913 1.00 2.39 C ATOM 771 CE2 PHE A 47 18.834 4.240 3.462 1.00 3.04 C ATOM 772 CZ PHE A 47 20.002 4.902 3.630 1.00 3.12 C ATOM 0 H PHE A 47 16.000 6.675 3.046 1.00 0.75 H new ATOM 0 HA PHE A 47 17.164 8.498 1.204 1.00 0.80 H new ATOM 0 HB2 PHE A 47 16.299 5.610 0.753 1.00 0.83 H new ATOM 0 HB3 PHE A 47 17.549 6.480 -0.114 1.00 0.83 H new ATOM 0 HD1 PHE A 47 19.482 7.446 1.458 1.00 1.61 H new ATOM 0 HD2 PHE A 47 16.967 4.151 2.433 1.00 2.13 H new ATOM 0 HE1 PHE A 47 21.164 6.636 3.060 1.00 2.39 H new ATOM 0 HE2 PHE A 47 18.639 3.345 4.034 1.00 3.04 H new ATOM 0 HZ PHE A 47 20.746 4.521 4.313 1.00 3.12 H new ATOM 782 N LYS A 48 14.109 7.452 0.628 1.00 0.61 N ATOM 783 CA LYS A 48 12.966 7.514 -0.282 1.00 0.60 C ATOM 784 C LYS A 48 11.722 8.006 0.444 1.00 0.64 C ATOM 785 O LYS A 48 10.597 7.810 -0.020 1.00 0.78 O ATOM 786 CB LYS A 48 12.709 6.129 -0.889 1.00 0.55 C ATOM 787 CG LYS A 48 13.815 5.660 -1.824 1.00 0.76 C ATOM 788 CD LYS A 48 13.657 4.196 -2.206 1.00 0.81 C ATOM 789 CE LYS A 48 13.989 3.273 -1.042 1.00 0.97 C ATOM 790 NZ LYS A 48 15.405 3.422 -0.600 1.00 1.19 N ATOM 0 H LYS A 48 13.919 6.980 1.512 1.00 0.61 H new ATOM 0 HA LYS A 48 13.197 8.220 -1.080 1.00 0.60 H new ATOM 0 HB2 LYS A 48 12.594 5.404 -0.083 1.00 0.55 H new ATOM 0 HB3 LYS A 48 11.766 6.150 -1.436 1.00 0.55 H new ATOM 0 HG2 LYS A 48 13.811 6.272 -2.726 1.00 0.76 H new ATOM 0 HG3 LYS A 48 14.782 5.807 -1.343 1.00 0.76 H new ATOM 0 HD2 LYS A 48 12.634 4.014 -2.535 1.00 0.81 H new ATOM 0 HD3 LYS A 48 14.308 3.967 -3.049 1.00 0.81 H new ATOM 0 HE2 LYS A 48 13.323 3.489 -0.206 1.00 0.97 H new ATOM 0 HE3 LYS A 48 13.807 2.239 -1.335 1.00 0.97 H new ATOM 0 HZ1 LYS A 48 15.507 3.057 0.368 1.00 1.19 H new ATOM 0 HZ2 LYS A 48 16.026 2.886 -1.239 1.00 1.19 H new ATOM 0 HZ3 LYS A 48 15.671 4.427 -0.620 1.00 1.19 H new ATOM 804 N ARG A 49 11.950 8.678 1.563 1.00 0.73 N ATOM 805 CA ARG A 49 10.882 9.126 2.452 1.00 0.84 C ATOM 806 C ARG A 49 9.900 10.068 1.754 1.00 0.91 C ATOM 807 O ARG A 49 8.698 10.038 2.026 1.00 1.75 O ATOM 808 CB ARG A 49 11.491 9.814 3.676 1.00 1.03 C ATOM 809 CG ARG A 49 12.459 10.934 3.321 1.00 1.35 C ATOM 810 CD ARG A 49 13.196 11.461 4.543 1.00 1.45 C ATOM 811 NE ARG A 49 12.296 11.786 5.648 1.00 1.92 N ATOM 812 CZ ARG A 49 12.704 12.155 6.862 1.00 2.48 C ATOM 813 NH1 ARG A 49 13.997 12.330 7.111 1.00 2.70 N ATOM 814 NH2 ARG A 49 11.812 12.379 7.817 1.00 3.23 N ATOM 0 H ARG A 49 12.885 8.930 1.884 1.00 0.73 H new ATOM 0 HA ARG A 49 10.317 8.246 2.760 1.00 0.84 H new ATOM 0 HB2 ARG A 49 10.689 10.219 4.293 1.00 1.03 H new ATOM 0 HB3 ARG A 49 12.012 9.071 4.279 1.00 1.03 H new ATOM 0 HG2 ARG A 49 13.182 10.570 2.591 1.00 1.35 H new ATOM 0 HG3 ARG A 49 11.912 11.750 2.848 1.00 1.35 H new ATOM 0 HD2 ARG A 49 13.919 10.716 4.876 1.00 1.45 H new ATOM 0 HD3 ARG A 49 13.761 12.351 4.266 1.00 1.45 H new ATOM 0 HE ARG A 49 11.292 11.727 5.479 1.00 1.92 H new ATOM 0 HH11 ARG A 49 14.683 12.182 6.371 1.00 2.70 H new ATOM 0 HH12 ARG A 49 14.303 12.612 8.042 1.00 2.70 H new ATOM 0 HH21 ARG A 49 10.817 12.269 7.622 1.00 3.23 H new ATOM 0 HH22 ARG A 49 12.121 12.662 8.747 1.00 3.23 H new ATOM 828 N GLY A 50 10.403 10.890 0.847 1.00 1.00 N ATOM 829 CA GLY A 50 9.549 11.849 0.184 1.00 1.07 C ATOM 830 C GLY A 50 9.532 11.673 -1.320 1.00 0.98 C ATOM 831 O GLY A 50 9.225 12.611 -2.055 1.00 1.12 O ATOM 0 H GLY A 50 11.382 10.910 0.560 1.00 1.00 H new ATOM 0 HA2 GLY A 50 8.534 11.753 0.569 1.00 1.07 H new ATOM 0 HA3 GLY A 50 9.886 12.857 0.424 1.00 1.07 H new ATOM 835 N LEU A 51 9.857 10.474 -1.786 1.00 0.81 N ATOM 836 CA LEU A 51 9.917 10.220 -3.220 1.00 0.81 C ATOM 837 C LEU A 51 8.613 9.637 -3.737 1.00 0.71 C ATOM 838 O LEU A 51 8.334 9.695 -4.936 1.00 0.88 O ATOM 839 CB LEU A 51 11.060 9.270 -3.562 1.00 0.82 C ATOM 840 CG LEU A 51 12.460 9.760 -3.182 1.00 1.11 C ATOM 841 CD1 LEU A 51 13.514 8.767 -3.644 1.00 1.46 C ATOM 842 CD2 LEU A 51 12.730 11.132 -3.784 1.00 1.95 C ATOM 0 H LEU A 51 10.081 9.670 -1.200 1.00 0.81 H new ATOM 0 HA LEU A 51 10.090 11.181 -3.704 1.00 0.81 H new ATOM 0 HB2 LEU A 51 10.879 8.318 -3.063 1.00 0.82 H new ATOM 0 HB3 LEU A 51 11.040 9.077 -4.635 1.00 0.82 H new ATOM 0 HG LEU A 51 12.510 9.843 -2.096 1.00 1.11 H new ATOM 0 HD11 LEU A 51 14.503 9.131 -3.366 1.00 1.46 H new ATOM 0 HD12 LEU A 51 13.336 7.801 -3.171 1.00 1.46 H new ATOM 0 HD13 LEU A 51 13.459 8.656 -4.727 1.00 1.46 H new ATOM 0 HD21 LEU A 51 13.730 11.463 -3.502 1.00 1.95 H new ATOM 0 HD22 LEU A 51 12.660 11.073 -4.870 1.00 1.95 H new ATOM 0 HD23 LEU A 51 11.994 11.844 -3.411 1.00 1.95 H new ATOM 854 N GLY A 52 7.808 9.074 -2.843 1.00 0.52 N ATOM 855 CA GLY A 52 6.579 8.457 -3.290 1.00 0.43 C ATOM 856 C GLY A 52 6.481 6.995 -2.911 1.00 0.32 C ATOM 857 O GLY A 52 5.382 6.451 -2.789 1.00 0.28 O ATOM 0 H GLY A 52 7.981 9.035 -1.838 1.00 0.52 H new ATOM 0 HA2 GLY A 52 5.732 8.995 -2.863 1.00 0.43 H new ATOM 0 HA3 GLY A 52 6.504 8.552 -4.373 1.00 0.43 H new ATOM 861 N LEU A 53 7.638 6.365 -2.731 1.00 0.31 N ATOM 862 CA LEU A 53 7.738 4.914 -2.586 1.00 0.27 C ATOM 863 C LEU A 53 6.788 4.373 -1.517 1.00 0.20 C ATOM 864 O LEU A 53 6.139 3.350 -1.729 1.00 0.20 O ATOM 865 CB LEU A 53 9.195 4.546 -2.257 1.00 0.29 C ATOM 866 CG LEU A 53 9.575 3.059 -2.350 1.00 0.33 C ATOM 867 CD1 LEU A 53 9.133 2.300 -1.113 1.00 0.55 C ATOM 868 CD2 LEU A 53 8.974 2.427 -3.594 1.00 0.67 C ATOM 0 H LEU A 53 8.536 6.847 -2.681 1.00 0.31 H new ATOM 0 HA LEU A 53 7.440 4.452 -3.527 1.00 0.27 H new ATOM 0 HB2 LEU A 53 9.846 5.105 -2.929 1.00 0.29 H new ATOM 0 HB3 LEU A 53 9.411 4.889 -1.245 1.00 0.29 H new ATOM 0 HG LEU A 53 10.661 3.000 -2.416 1.00 0.33 H new ATOM 0 HD11 LEU A 53 9.416 1.252 -1.209 1.00 0.55 H new ATOM 0 HD12 LEU A 53 9.614 2.727 -0.233 1.00 0.55 H new ATOM 0 HD13 LEU A 53 8.051 2.376 -1.007 1.00 0.55 H new ATOM 0 HD21 LEU A 53 9.255 1.375 -3.640 1.00 0.67 H new ATOM 0 HD22 LEU A 53 7.888 2.511 -3.556 1.00 0.67 H new ATOM 0 HD23 LEU A 53 9.347 2.941 -4.480 1.00 0.67 H new ATOM 880 N ALA A 54 6.688 5.067 -0.390 1.00 0.19 N ATOM 881 CA ALA A 54 5.822 4.629 0.703 1.00 0.17 C ATOM 882 C ALA A 54 4.382 4.427 0.226 1.00 0.15 C ATOM 883 O ALA A 54 3.757 3.400 0.493 1.00 0.15 O ATOM 884 CB ALA A 54 5.862 5.640 1.832 1.00 0.24 C ATOM 0 H ALA A 54 7.194 5.934 -0.207 1.00 0.19 H new ATOM 0 HA ALA A 54 6.192 3.670 1.065 1.00 0.17 H new ATOM 0 HB1 ALA A 54 5.214 5.306 2.642 1.00 0.24 H new ATOM 0 HB2 ALA A 54 6.884 5.735 2.200 1.00 0.24 H new ATOM 0 HB3 ALA A 54 5.517 6.607 1.467 1.00 0.24 H new ATOM 890 N SER A 55 3.868 5.411 -0.487 1.00 0.17 N ATOM 891 CA SER A 55 2.523 5.341 -1.029 1.00 0.21 C ATOM 892 C SER A 55 2.432 4.302 -2.148 1.00 0.21 C ATOM 893 O SER A 55 1.395 3.670 -2.331 1.00 0.25 O ATOM 894 CB SER A 55 2.108 6.717 -1.544 1.00 0.28 C ATOM 895 OG SER A 55 2.267 7.704 -0.539 1.00 1.08 O ATOM 0 H SER A 55 4.365 6.274 -0.706 1.00 0.17 H new ATOM 0 HA SER A 55 1.843 5.032 -0.235 1.00 0.21 H new ATOM 0 HB2 SER A 55 2.708 6.980 -2.415 1.00 0.28 H new ATOM 0 HB3 SER A 55 1.068 6.689 -1.870 1.00 0.28 H new ATOM 0 HG SER A 55 1.997 8.577 -0.892 1.00 1.08 H new ATOM 901 N HIS A 56 3.525 4.114 -2.884 1.00 0.21 N ATOM 902 CA HIS A 56 3.560 3.120 -3.959 1.00 0.23 C ATOM 903 C HIS A 56 3.503 1.712 -3.389 1.00 0.20 C ATOM 904 O HIS A 56 3.010 0.796 -4.042 1.00 0.23 O ATOM 905 CB HIS A 56 4.790 3.294 -4.856 1.00 0.29 C ATOM 906 CG HIS A 56 4.625 4.404 -5.851 1.00 0.45 C ATOM 907 ND1 HIS A 56 4.443 4.191 -7.201 1.00 0.79 N ATOM 908 CD2 HIS A 56 4.578 5.745 -5.676 1.00 0.70 C ATOM 909 CE1 HIS A 56 4.286 5.352 -7.806 1.00 0.99 C ATOM 910 NE2 HIS A 56 4.362 6.308 -6.908 1.00 0.93 N ATOM 0 H HIS A 56 4.394 4.632 -2.759 1.00 0.21 H new ATOM 0 HA HIS A 56 2.679 3.279 -4.581 1.00 0.23 H new ATOM 0 HB2 HIS A 56 5.663 3.495 -4.235 1.00 0.29 H new ATOM 0 HB3 HIS A 56 4.984 2.361 -5.386 1.00 0.29 H new ATOM 0 HD1 HIS A 56 4.432 3.280 -7.659 1.00 0.79 H new ATOM 0 HD2 HIS A 56 4.690 6.273 -4.741 1.00 0.70 H new ATOM 0 HE1 HIS A 56 4.122 5.494 -8.864 1.00 0.99 H new ATOM 919 N LEU A 57 4.004 1.547 -2.172 1.00 0.15 N ATOM 920 CA LEU A 57 3.887 0.277 -1.469 1.00 0.13 C ATOM 921 C LEU A 57 2.414 -0.045 -1.237 1.00 0.13 C ATOM 922 O LEU A 57 1.964 -1.171 -1.452 1.00 0.15 O ATOM 923 CB LEU A 57 4.624 0.335 -0.130 1.00 0.14 C ATOM 924 CG LEU A 57 6.137 0.521 -0.210 1.00 0.17 C ATOM 925 CD1 LEU A 57 6.705 0.790 1.174 1.00 0.19 C ATOM 926 CD2 LEU A 57 6.793 -0.706 -0.819 1.00 0.22 C ATOM 0 H LEU A 57 4.494 2.275 -1.652 1.00 0.15 H new ATOM 0 HA LEU A 57 4.339 -0.505 -2.079 1.00 0.13 H new ATOM 0 HB2 LEU A 57 4.207 1.153 0.457 1.00 0.14 H new ATOM 0 HB3 LEU A 57 4.419 -0.586 0.416 1.00 0.14 H new ATOM 0 HG LEU A 57 6.348 1.378 -0.850 1.00 0.17 H new ATOM 0 HD11 LEU A 57 7.785 0.921 1.105 1.00 0.19 H new ATOM 0 HD12 LEU A 57 6.255 1.695 1.582 1.00 0.19 H new ATOM 0 HD13 LEU A 57 6.483 -0.053 1.829 1.00 0.19 H new ATOM 0 HD21 LEU A 57 7.871 -0.555 -0.868 1.00 0.22 H new ATOM 0 HD22 LEU A 57 6.576 -1.578 -0.202 1.00 0.22 H new ATOM 0 HD23 LEU A 57 6.403 -0.866 -1.824 1.00 0.22 H new ATOM 938 N CYS A 58 1.669 0.969 -0.810 1.00 0.16 N ATOM 939 CA CYS A 58 0.224 0.847 -0.642 1.00 0.19 C ATOM 940 C CYS A 58 -0.440 0.540 -1.987 1.00 0.19 C ATOM 941 O CYS A 58 -1.362 -0.273 -2.067 1.00 0.20 O ATOM 942 CB CYS A 58 -0.351 2.136 -0.036 1.00 0.23 C ATOM 943 SG CYS A 58 -2.131 2.093 0.272 1.00 0.27 S ATOM 0 H CYS A 58 2.043 1.888 -0.573 1.00 0.16 H new ATOM 0 HA CYS A 58 0.017 0.023 0.041 1.00 0.19 H new ATOM 0 HB2 CYS A 58 0.162 2.341 0.904 1.00 0.23 H new ATOM 0 HB3 CYS A 58 -0.131 2.967 -0.707 1.00 0.23 H new ATOM 0 HG CYS A 58 -2.765 1.993 -0.859 1.00 0.27 H new ATOM 949 N VAL A 59 0.051 1.183 -3.045 1.00 0.19 N ATOM 950 CA VAL A 59 -0.459 0.955 -4.394 1.00 0.22 C ATOM 951 C VAL A 59 -0.183 -0.476 -4.849 1.00 0.20 C ATOM 952 O VAL A 59 -0.982 -1.071 -5.567 1.00 0.22 O ATOM 953 CB VAL A 59 0.159 1.953 -5.401 1.00 0.25 C ATOM 954 CG1 VAL A 59 -0.251 1.632 -6.833 1.00 0.29 C ATOM 955 CG2 VAL A 59 -0.246 3.372 -5.049 1.00 0.29 C ATOM 0 H VAL A 59 0.804 1.869 -2.992 1.00 0.19 H new ATOM 0 HA VAL A 59 -1.537 1.113 -4.365 1.00 0.22 H new ATOM 0 HB VAL A 59 1.243 1.861 -5.335 1.00 0.25 H new ATOM 0 HG11 VAL A 59 0.202 2.354 -7.512 1.00 0.29 H new ATOM 0 HG12 VAL A 59 0.087 0.629 -7.092 1.00 0.29 H new ATOM 0 HG13 VAL A 59 -1.336 1.683 -6.921 1.00 0.29 H new ATOM 0 HG21 VAL A 59 0.196 4.065 -5.765 1.00 0.29 H new ATOM 0 HG22 VAL A 59 -1.332 3.459 -5.082 1.00 0.29 H new ATOM 0 HG23 VAL A 59 0.107 3.613 -4.046 1.00 0.29 H new ATOM 965 N ALA A 60 0.940 -1.031 -4.414 1.00 0.18 N ATOM 966 CA ALA A 60 1.293 -2.403 -4.754 1.00 0.21 C ATOM 967 C ALA A 60 0.236 -3.374 -4.248 1.00 0.17 C ATOM 968 O ALA A 60 -0.068 -4.372 -4.907 1.00 0.17 O ATOM 969 CB ALA A 60 2.661 -2.755 -4.195 1.00 0.28 C ATOM 0 H ALA A 60 1.622 -0.553 -3.825 1.00 0.18 H new ATOM 0 HA ALA A 60 1.335 -2.487 -5.840 1.00 0.21 H new ATOM 0 HB1 ALA A 60 2.908 -3.783 -4.459 1.00 0.28 H new ATOM 0 HB2 ALA A 60 3.409 -2.083 -4.615 1.00 0.28 H new ATOM 0 HB3 ALA A 60 2.648 -2.652 -3.110 1.00 0.28 H new ATOM 975 N ALA A 61 -0.338 -3.081 -3.085 1.00 0.16 N ATOM 976 CA ALA A 61 -1.414 -3.903 -2.565 1.00 0.16 C ATOM 977 C ALA A 61 -2.695 -3.627 -3.337 1.00 0.14 C ATOM 978 O ALA A 61 -3.482 -4.538 -3.605 1.00 0.15 O ATOM 979 CB ALA A 61 -1.605 -3.653 -1.084 1.00 0.20 C ATOM 0 H ALA A 61 -0.077 -2.291 -2.495 1.00 0.16 H new ATOM 0 HA ALA A 61 -1.153 -4.954 -2.694 1.00 0.16 H new ATOM 0 HB1 ALA A 61 -2.416 -4.278 -0.711 1.00 0.20 H new ATOM 0 HB2 ALA A 61 -0.685 -3.897 -0.552 1.00 0.20 H new ATOM 0 HB3 ALA A 61 -1.851 -2.604 -0.921 1.00 0.20 H new ATOM 985 N PHE A 62 -2.886 -2.362 -3.709 1.00 0.14 N ATOM 986 CA PHE A 62 -4.020 -1.963 -4.537 1.00 0.15 C ATOM 987 C PHE A 62 -4.026 -2.733 -5.852 1.00 0.15 C ATOM 988 O PHE A 62 -5.031 -3.342 -6.213 1.00 0.16 O ATOM 989 CB PHE A 62 -3.990 -0.460 -4.839 1.00 0.17 C ATOM 990 CG PHE A 62 -4.439 0.435 -3.713 1.00 0.19 C ATOM 991 CD1 PHE A 62 -5.540 0.097 -2.939 1.00 0.21 C ATOM 992 CD2 PHE A 62 -3.746 1.594 -3.410 1.00 0.20 C ATOM 993 CE1 PHE A 62 -5.940 0.901 -1.884 1.00 0.23 C ATOM 994 CE2 PHE A 62 -4.145 2.403 -2.361 1.00 0.23 C ATOM 995 CZ PHE A 62 -5.296 2.120 -1.670 1.00 0.24 C ATOM 0 H PHE A 62 -2.267 -1.594 -3.448 1.00 0.14 H new ATOM 0 HA PHE A 62 -4.925 -2.193 -3.975 1.00 0.15 H new ATOM 0 HB2 PHE A 62 -2.973 -0.183 -5.117 1.00 0.17 H new ATOM 0 HB3 PHE A 62 -4.621 -0.268 -5.707 1.00 0.17 H new ATOM 0 HD1 PHE A 62 -6.092 -0.804 -3.162 1.00 0.21 H new ATOM 0 HD2 PHE A 62 -2.884 1.870 -3.999 1.00 0.20 H new ATOM 0 HE1 PHE A 62 -6.743 0.587 -1.233 1.00 0.23 H new ATOM 0 HE2 PHE A 62 -3.549 3.260 -2.085 1.00 0.23 H new ATOM 0 HZ PHE A 62 -5.700 2.834 -0.967 1.00 0.24 H new ATOM 1005 N GLU A 63 -2.895 -2.704 -6.551 1.00 0.16 N ATOM 1006 CA GLU A 63 -2.743 -3.410 -7.822 1.00 0.19 C ATOM 1007 C GLU A 63 -3.110 -4.882 -7.681 1.00 0.19 C ATOM 1008 O GLU A 63 -3.718 -5.471 -8.576 1.00 0.24 O ATOM 1009 CB GLU A 63 -1.301 -3.294 -8.321 1.00 0.22 C ATOM 1010 CG GLU A 63 -0.909 -1.893 -8.765 1.00 0.29 C ATOM 1011 CD GLU A 63 -1.534 -1.505 -10.093 1.00 1.16 C ATOM 1012 OE1 GLU A 63 -2.776 -1.386 -10.155 1.00 1.98 O ATOM 1013 OE2 GLU A 63 -0.793 -1.323 -11.079 1.00 1.58 O ATOM 0 H GLU A 63 -2.062 -2.194 -6.256 1.00 0.16 H new ATOM 0 HA GLU A 63 -3.419 -2.949 -8.542 1.00 0.19 H new ATOM 0 HB2 GLU A 63 -0.626 -3.614 -7.527 1.00 0.22 H new ATOM 0 HB3 GLU A 63 -1.160 -3.981 -9.156 1.00 0.22 H new ATOM 0 HG2 GLU A 63 -1.212 -1.176 -8.002 1.00 0.29 H new ATOM 0 HG3 GLU A 63 0.176 -1.832 -8.847 1.00 0.29 H new ATOM 1020 N HIS A 64 -2.752 -5.462 -6.544 1.00 0.17 N ATOM 1021 CA HIS A 64 -2.973 -6.881 -6.308 1.00 0.19 C ATOM 1022 C HIS A 64 -4.461 -7.158 -6.100 1.00 0.19 C ATOM 1023 O HIS A 64 -5.029 -8.064 -6.715 1.00 0.24 O ATOM 1024 CB HIS A 64 -2.157 -7.344 -5.092 1.00 0.20 C ATOM 1025 CG HIS A 64 -2.185 -8.829 -4.858 1.00 0.58 C ATOM 1026 ND1 HIS A 64 -1.911 -9.411 -3.636 1.00 1.50 N ATOM 1027 CD2 HIS A 64 -2.449 -9.854 -5.704 1.00 1.13 C ATOM 1028 CE1 HIS A 64 -2.003 -10.724 -3.749 1.00 1.68 C ATOM 1029 NE2 HIS A 64 -2.329 -11.016 -4.990 1.00 1.33 N ATOM 0 H HIS A 64 -2.306 -4.970 -5.769 1.00 0.17 H new ATOM 0 HA HIS A 64 -2.641 -7.442 -7.181 1.00 0.19 H new ATOM 0 HB2 HIS A 64 -1.122 -7.028 -5.222 1.00 0.20 H new ATOM 0 HB3 HIS A 64 -2.535 -6.840 -4.202 1.00 0.20 H new ATOM 0 HD2 HIS A 64 -2.707 -9.770 -6.749 1.00 1.13 H new ATOM 0 HE1 HIS A 64 -1.838 -11.438 -2.956 1.00 1.68 H new ATOM 0 HE2 HIS A 64 -2.470 -11.956 -5.360 1.00 1.33 H new ATOM 1038 N ALA A 65 -5.091 -6.362 -5.250 1.00 0.15 N ATOM 1039 CA ALA A 65 -6.498 -6.549 -4.938 1.00 0.16 C ATOM 1040 C ALA A 65 -7.387 -6.150 -6.109 1.00 0.15 C ATOM 1041 O ALA A 65 -8.256 -6.914 -6.517 1.00 0.17 O ATOM 1042 CB ALA A 65 -6.874 -5.757 -3.702 1.00 0.20 C ATOM 0 H ALA A 65 -4.650 -5.581 -4.764 1.00 0.15 H new ATOM 0 HA ALA A 65 -6.657 -7.610 -4.743 1.00 0.16 H new ATOM 0 HB1 ALA A 65 -7.931 -5.907 -3.481 1.00 0.20 H new ATOM 0 HB2 ALA A 65 -6.275 -6.096 -2.857 1.00 0.20 H new ATOM 0 HB3 ALA A 65 -6.687 -4.698 -3.878 1.00 0.20 H new ATOM 1048 N SER A 66 -7.150 -4.960 -6.655 1.00 0.16 N ATOM 1049 CA SER A 66 -7.952 -4.435 -7.759 1.00 0.20 C ATOM 1050 C SER A 66 -8.032 -5.427 -8.921 1.00 0.24 C ATOM 1051 O SER A 66 -9.109 -5.670 -9.470 1.00 0.31 O ATOM 1052 CB SER A 66 -7.369 -3.107 -8.247 1.00 0.24 C ATOM 1053 OG SER A 66 -8.188 -2.515 -9.240 1.00 1.21 O ATOM 0 H SER A 66 -6.403 -4.336 -6.349 1.00 0.16 H new ATOM 0 HA SER A 66 -8.964 -4.274 -7.386 1.00 0.20 H new ATOM 0 HB2 SER A 66 -7.264 -2.423 -7.405 1.00 0.24 H new ATOM 0 HB3 SER A 66 -6.370 -3.273 -8.649 1.00 0.24 H new ATOM 0 HG SER A 66 -7.790 -1.668 -9.530 1.00 1.21 H new ATOM 1059 N SER A 67 -6.896 -6.012 -9.281 1.00 0.25 N ATOM 1060 CA SER A 67 -6.841 -6.945 -10.399 1.00 0.33 C ATOM 1061 C SER A 67 -7.537 -8.265 -10.052 1.00 0.34 C ATOM 1062 O SER A 67 -8.023 -8.974 -10.938 1.00 0.44 O ATOM 1063 CB SER A 67 -5.385 -7.196 -10.804 1.00 0.39 C ATOM 1064 OG SER A 67 -5.302 -8.048 -11.935 1.00 1.20 O ATOM 0 H SER A 67 -6.002 -5.857 -8.816 1.00 0.25 H new ATOM 0 HA SER A 67 -7.370 -6.500 -11.242 1.00 0.33 H new ATOM 0 HB2 SER A 67 -4.898 -6.246 -11.026 1.00 0.39 H new ATOM 0 HB3 SER A 67 -4.845 -7.643 -9.969 1.00 0.39 H new ATOM 0 HG SER A 67 -4.361 -8.188 -12.170 1.00 1.20 H new ATOM 1070 N HIS A 68 -7.600 -8.592 -8.764 1.00 0.29 N ATOM 1071 CA HIS A 68 -8.229 -9.837 -8.334 1.00 0.35 C ATOM 1072 C HIS A 68 -9.654 -9.583 -7.825 1.00 0.37 C ATOM 1073 O HIS A 68 -10.272 -10.467 -7.232 1.00 0.44 O ATOM 1074 CB HIS A 68 -7.383 -10.515 -7.250 1.00 0.37 C ATOM 1075 CG HIS A 68 -7.641 -11.989 -7.113 1.00 0.48 C ATOM 1076 ND1 HIS A 68 -8.521 -12.523 -6.195 1.00 1.25 N ATOM 1077 CD2 HIS A 68 -7.120 -13.044 -7.785 1.00 1.16 C ATOM 1078 CE1 HIS A 68 -8.526 -13.837 -6.305 1.00 1.03 C ATOM 1079 NE2 HIS A 68 -7.687 -14.177 -7.261 1.00 0.82 N ATOM 0 H HIS A 68 -7.227 -8.019 -8.007 1.00 0.29 H new ATOM 0 HA HIS A 68 -8.291 -10.503 -9.194 1.00 0.35 H new ATOM 0 HB2 HIS A 68 -6.328 -10.360 -7.476 1.00 0.37 H new ATOM 0 HB3 HIS A 68 -7.579 -10.031 -6.293 1.00 0.37 H new ATOM 0 HD2 HIS A 68 -6.394 -13.001 -8.584 1.00 1.16 H new ATOM 0 HE1 HIS A 68 -9.118 -14.518 -5.712 1.00 1.03 H new ATOM 0 HE2 HIS A 68 -7.490 -15.131 -7.564 1.00 0.82 H new ATOM 1088 N SER A 69 -10.162 -8.371 -8.062 1.00 0.33 N ATOM 1089 CA SER A 69 -11.532 -8.004 -7.685 1.00 0.37 C ATOM 1090 C SER A 69 -11.703 -7.980 -6.159 1.00 0.34 C ATOM 1091 O SER A 69 -12.803 -8.171 -5.637 1.00 0.54 O ATOM 1092 CB SER A 69 -12.537 -8.973 -8.330 1.00 0.47 C ATOM 1093 OG SER A 69 -13.873 -8.637 -7.993 1.00 1.12 O ATOM 0 H SER A 69 -9.641 -7.621 -8.517 1.00 0.33 H new ATOM 0 HA SER A 69 -11.728 -6.998 -8.054 1.00 0.37 H new ATOM 0 HB2 SER A 69 -12.418 -8.954 -9.413 1.00 0.47 H new ATOM 0 HB3 SER A 69 -12.323 -9.991 -8.004 1.00 0.47 H new ATOM 0 HG SER A 69 -13.930 -8.444 -7.034 1.00 1.12 H new ATOM 1099 N ILE A 70 -10.617 -7.704 -5.456 1.00 0.22 N ATOM 1100 CA ILE A 70 -10.625 -7.684 -3.999 1.00 0.21 C ATOM 1101 C ILE A 70 -10.789 -6.253 -3.488 1.00 0.19 C ATOM 1102 O ILE A 70 -10.342 -5.307 -4.133 1.00 0.20 O ATOM 1103 CB ILE A 70 -9.317 -8.294 -3.435 1.00 0.23 C ATOM 1104 CG1 ILE A 70 -9.101 -9.690 -4.017 1.00 0.30 C ATOM 1105 CG2 ILE A 70 -9.349 -8.363 -1.913 1.00 0.27 C ATOM 1106 CD1 ILE A 70 -7.841 -10.371 -3.533 1.00 0.36 C ATOM 0 H ILE A 70 -9.711 -7.489 -5.873 1.00 0.22 H new ATOM 0 HA ILE A 70 -11.468 -8.285 -3.657 1.00 0.21 H new ATOM 0 HB ILE A 70 -8.489 -7.647 -3.725 1.00 0.23 H new ATOM 0 HG12 ILE A 70 -9.958 -10.314 -3.765 1.00 0.30 H new ATOM 0 HG13 ILE A 70 -9.068 -9.618 -5.104 1.00 0.30 H new ATOM 0 HG21 ILE A 70 -8.417 -8.796 -1.549 1.00 0.27 H new ATOM 0 HG22 ILE A 70 -9.467 -7.359 -1.506 1.00 0.27 H new ATOM 0 HG23 ILE A 70 -10.186 -8.984 -1.594 1.00 0.27 H new ATOM 0 HD11 ILE A 70 -7.761 -11.356 -3.992 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -6.974 -9.771 -3.809 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -7.878 -10.478 -2.449 1.00 0.36 H new ATOM 1118 N SER A 71 -11.438 -6.098 -2.339 1.00 0.19 N ATOM 1119 CA SER A 71 -11.598 -4.791 -1.720 1.00 0.19 C ATOM 1120 C SER A 71 -10.462 -4.555 -0.733 1.00 0.17 C ATOM 1121 O SER A 71 -9.752 -5.490 -0.377 1.00 0.19 O ATOM 1122 CB SER A 71 -12.950 -4.706 -1.015 1.00 0.23 C ATOM 1123 OG SER A 71 -14.009 -4.916 -1.934 1.00 1.01 O ATOM 0 H SER A 71 -11.862 -6.865 -1.818 1.00 0.19 H new ATOM 0 HA SER A 71 -11.565 -4.019 -2.488 1.00 0.19 H new ATOM 0 HB2 SER A 71 -12.999 -5.450 -0.220 1.00 0.23 H new ATOM 0 HB3 SER A 71 -13.059 -3.729 -0.544 1.00 0.23 H new ATOM 0 HG SER A 71 -14.867 -4.859 -1.463 1.00 1.01 H new ATOM 1129 N ILE A 72 -10.284 -3.320 -0.291 1.00 0.15 N ATOM 1130 CA ILE A 72 -9.145 -2.971 0.547 1.00 0.14 C ATOM 1131 C ILE A 72 -9.541 -1.968 1.637 1.00 0.14 C ATOM 1132 O ILE A 72 -10.495 -1.210 1.486 1.00 0.16 O ATOM 1133 CB ILE A 72 -7.999 -2.388 -0.334 1.00 0.14 C ATOM 1134 CG1 ILE A 72 -7.330 -3.504 -1.142 1.00 0.16 C ATOM 1135 CG2 ILE A 72 -6.967 -1.623 0.481 1.00 0.14 C ATOM 1136 CD1 ILE A 72 -6.001 -3.111 -1.753 1.00 0.20 C ATOM 0 H ILE A 72 -10.912 -2.543 -0.497 1.00 0.15 H new ATOM 0 HA ILE A 72 -8.794 -3.877 1.041 1.00 0.14 H new ATOM 0 HB ILE A 72 -8.453 -1.672 -1.019 1.00 0.14 H new ATOM 0 HG12 ILE A 72 -7.179 -4.367 -0.494 1.00 0.16 H new ATOM 0 HG13 ILE A 72 -8.006 -3.817 -1.938 1.00 0.16 H new ATOM 0 HG21 ILE A 72 -6.192 -1.239 -0.182 1.00 0.14 H new ATOM 0 HG22 ILE A 72 -7.451 -0.792 0.993 1.00 0.14 H new ATOM 0 HG23 ILE A 72 -6.517 -2.290 1.217 1.00 0.14 H new ATOM 0 HD11 ILE A 72 -5.592 -3.955 -2.308 1.00 0.20 H new ATOM 0 HD12 ILE A 72 -6.146 -2.268 -2.429 1.00 0.20 H new ATOM 0 HD13 ILE A 72 -5.307 -2.827 -0.962 1.00 0.20 H new ATOM 1148 N ILE A 73 -8.811 -2.011 2.743 1.00 0.13 N ATOM 1149 CA ILE A 73 -8.921 -1.036 3.821 1.00 0.13 C ATOM 1150 C ILE A 73 -7.514 -0.625 4.241 1.00 0.13 C ATOM 1151 O ILE A 73 -6.751 -1.441 4.742 1.00 0.13 O ATOM 1152 CB ILE A 73 -9.676 -1.610 5.043 1.00 0.14 C ATOM 1153 CG1 ILE A 73 -11.165 -1.784 4.724 1.00 0.19 C ATOM 1154 CG2 ILE A 73 -9.482 -0.726 6.271 1.00 0.15 C ATOM 1155 CD1 ILE A 73 -11.884 -0.486 4.409 1.00 0.24 C ATOM 0 H ILE A 73 -8.115 -2.735 2.920 1.00 0.13 H new ATOM 0 HA ILE A 73 -9.489 -0.179 3.458 1.00 0.13 H new ATOM 0 HB ILE A 73 -9.258 -2.591 5.269 1.00 0.14 H new ATOM 0 HG12 ILE A 73 -11.268 -2.460 3.875 1.00 0.19 H new ATOM 0 HG13 ILE A 73 -11.654 -2.262 5.573 1.00 0.19 H new ATOM 0 HG21 ILE A 73 -10.023 -1.153 7.116 1.00 0.15 H new ATOM 0 HG22 ILE A 73 -8.421 -0.667 6.513 1.00 0.15 H new ATOM 0 HG23 ILE A 73 -9.863 0.274 6.063 1.00 0.15 H new ATOM 0 HD11 ILE A 73 -12.932 -0.694 4.194 1.00 0.24 H new ATOM 0 HD12 ILE A 73 -11.815 0.185 5.265 1.00 0.24 H new ATOM 0 HD13 ILE A 73 -11.422 -0.016 3.541 1.00 0.24 H new ATOM 1167 N PRO A 74 -7.131 0.628 4.008 1.00 0.17 N ATOM 1168 CA PRO A 74 -5.783 1.087 4.264 1.00 0.18 C ATOM 1169 C PRO A 74 -5.588 1.673 5.663 1.00 0.17 C ATOM 1170 O PRO A 74 -6.002 2.799 5.936 1.00 0.19 O ATOM 1171 CB PRO A 74 -5.582 2.164 3.190 1.00 0.23 C ATOM 1172 CG PRO A 74 -6.954 2.531 2.694 1.00 0.31 C ATOM 1173 CD PRO A 74 -7.955 1.699 3.457 1.00 0.23 C ATOM 0 HA PRO A 74 -5.065 0.268 4.224 1.00 0.18 H new ATOM 0 HB2 PRO A 74 -5.073 3.035 3.604 1.00 0.23 H new ATOM 0 HB3 PRO A 74 -4.962 1.789 2.376 1.00 0.23 H new ATOM 0 HG2 PRO A 74 -7.144 3.593 2.846 1.00 0.31 H new ATOM 0 HG3 PRO A 74 -7.037 2.343 1.624 1.00 0.31 H new ATOM 0 HD2 PRO A 74 -8.446 2.275 4.241 1.00 0.23 H new ATOM 0 HD3 PRO A 74 -8.739 1.312 2.806 1.00 0.23 H new ATOM 1181 N SER A 75 -4.962 0.893 6.544 1.00 0.16 N ATOM 1182 CA SER A 75 -4.446 1.407 7.814 1.00 0.17 C ATOM 1183 C SER A 75 -3.264 2.338 7.521 1.00 0.16 C ATOM 1184 O SER A 75 -2.841 3.142 8.349 1.00 0.20 O ATOM 1185 CB SER A 75 -4.007 0.245 8.714 1.00 0.20 C ATOM 1186 OG SER A 75 -5.085 -0.642 8.976 1.00 1.19 O ATOM 0 H SER A 75 -4.799 -0.104 6.401 1.00 0.16 H new ATOM 0 HA SER A 75 -5.226 1.962 8.336 1.00 0.17 H new ATOM 0 HB2 SER A 75 -3.193 -0.300 8.236 1.00 0.20 H new ATOM 0 HB3 SER A 75 -3.619 0.637 9.654 1.00 0.20 H new ATOM 0 HG SER A 75 -5.018 -1.422 8.386 1.00 1.19 H new ATOM 1192 N CYS A 76 -2.760 2.188 6.304 1.00 0.17 N ATOM 1193 CA CYS A 76 -1.768 3.060 5.677 1.00 0.17 C ATOM 1194 C CYS A 76 -2.300 4.474 5.445 1.00 0.16 C ATOM 1195 O CYS A 76 -1.777 5.180 4.594 1.00 0.20 O ATOM 1196 CB CYS A 76 -1.256 2.457 4.372 1.00 0.25 C ATOM 1197 SG CYS A 76 -0.625 0.788 4.578 1.00 0.90 S ATOM 0 H CYS A 76 -3.043 1.420 5.696 1.00 0.17 H new ATOM 0 HA CYS A 76 -0.934 3.140 6.374 1.00 0.17 H new ATOM 0 HB2 CYS A 76 -2.063 2.448 3.640 1.00 0.25 H new ATOM 0 HB3 CYS A 76 -0.467 3.092 3.968 1.00 0.25 H new ATOM 0 HG CYS A 76 -1.341 0.160 5.463 1.00 0.90 H new ATOM 1203 N SER A 77 -3.400 4.827 6.115 1.00 0.20 N ATOM 1204 CA SER A 77 -4.208 6.010 5.810 1.00 0.25 C ATOM 1205 C SER A 77 -3.402 7.308 5.603 1.00 0.24 C ATOM 1206 O SER A 77 -3.955 8.277 5.095 1.00 0.26 O ATOM 1207 CB SER A 77 -5.207 6.240 6.943 1.00 0.34 C ATOM 1208 OG SER A 77 -5.793 5.022 7.373 1.00 0.71 O ATOM 0 H SER A 77 -3.761 4.287 6.901 1.00 0.20 H new ATOM 0 HA SER A 77 -4.698 5.795 4.860 1.00 0.25 H new ATOM 0 HB2 SER A 77 -4.703 6.719 7.782 1.00 0.34 H new ATOM 0 HB3 SER A 77 -5.988 6.923 6.608 1.00 0.34 H new ATOM 0 HG SER A 77 -5.887 4.416 6.608 1.00 0.71 H new ATOM 1214 N TYR A 78 -2.123 7.340 5.970 1.00 0.23 N ATOM 1215 CA TYR A 78 -1.256 8.434 5.536 1.00 0.24 C ATOM 1216 C TYR A 78 -1.269 8.494 4.005 1.00 0.20 C ATOM 1217 O TYR A 78 -1.458 9.556 3.412 1.00 0.21 O ATOM 1218 CB TYR A 78 0.181 8.245 6.067 1.00 0.27 C ATOM 1219 CG TYR A 78 1.266 8.433 5.019 1.00 0.24 C ATOM 1220 CD1 TYR A 78 1.647 9.708 4.623 1.00 0.24 C ATOM 1221 CD2 TYR A 78 1.923 7.348 4.446 1.00 0.26 C ATOM 1222 CE1 TYR A 78 2.648 9.902 3.691 1.00 0.25 C ATOM 1223 CE2 TYR A 78 2.924 7.532 3.510 1.00 0.27 C ATOM 1224 CZ TYR A 78 3.224 8.742 3.062 1.00 0.25 C ATOM 1225 OH TYR A 78 4.288 9.006 2.215 1.00 0.30 O ATOM 0 H TYR A 78 -1.671 6.637 6.555 1.00 0.23 H new ATOM 0 HA TYR A 78 -1.629 9.375 5.941 1.00 0.24 H new ATOM 0 HB2 TYR A 78 0.351 8.951 6.880 1.00 0.27 H new ATOM 0 HB3 TYR A 78 0.271 7.244 6.490 1.00 0.27 H new ATOM 0 HD1 TYR A 78 1.151 10.566 5.052 1.00 0.24 H new ATOM 0 HD2 TYR A 78 1.646 6.346 4.737 1.00 0.26 H new ATOM 0 HE1 TYR A 78 2.989 10.896 3.441 1.00 0.25 H new ATOM 0 HE2 TYR A 78 3.469 6.677 3.139 1.00 0.27 H new ATOM 0 HH TYR A 78 4.764 9.804 2.527 1.00 0.30 H new ATOM 1235 N VAL A 79 -1.092 7.332 3.378 1.00 0.18 N ATOM 1236 CA VAL A 79 -1.159 7.206 1.934 1.00 0.17 C ATOM 1237 C VAL A 79 -2.546 7.560 1.433 1.00 0.18 C ATOM 1238 O VAL A 79 -2.698 8.386 0.546 1.00 0.19 O ATOM 1239 CB VAL A 79 -0.831 5.770 1.471 1.00 0.18 C ATOM 1240 CG1 VAL A 79 -0.940 5.652 -0.043 1.00 0.20 C ATOM 1241 CG2 VAL A 79 0.550 5.349 1.946 1.00 0.18 C ATOM 0 H VAL A 79 -0.898 6.455 3.862 1.00 0.18 H new ATOM 0 HA VAL A 79 -0.420 7.893 1.523 1.00 0.17 H new ATOM 0 HB VAL A 79 -1.562 5.096 1.918 1.00 0.18 H new ATOM 0 HG11 VAL A 79 -0.705 4.632 -0.346 1.00 0.20 H new ATOM 0 HG12 VAL A 79 -1.955 5.898 -0.355 1.00 0.20 H new ATOM 0 HG13 VAL A 79 -0.239 6.341 -0.513 1.00 0.20 H new ATOM 0 HG21 VAL A 79 0.758 4.334 1.607 1.00 0.18 H new ATOM 0 HG22 VAL A 79 1.298 6.028 1.537 1.00 0.18 H new ATOM 0 HG23 VAL A 79 0.586 5.383 3.035 1.00 0.18 H new ATOM 1251 N SER A 80 -3.562 6.954 2.030 1.00 0.20 N ATOM 1252 CA SER A 80 -4.923 7.100 1.522 1.00 0.25 C ATOM 1253 C SER A 80 -5.381 8.550 1.614 1.00 0.23 C ATOM 1254 O SER A 80 -6.128 9.037 0.770 1.00 0.23 O ATOM 1255 CB SER A 80 -5.892 6.187 2.283 1.00 0.36 C ATOM 1256 OG SER A 80 -5.969 6.536 3.649 1.00 0.99 O ATOM 0 H SER A 80 -3.475 6.363 2.857 1.00 0.20 H new ATOM 0 HA SER A 80 -4.923 6.803 0.473 1.00 0.25 H new ATOM 0 HB2 SER A 80 -6.883 6.252 1.834 1.00 0.36 H new ATOM 0 HB3 SER A 80 -5.567 5.151 2.189 1.00 0.36 H new ATOM 0 HG SER A 80 -6.546 5.897 4.118 1.00 0.99 H new ATOM 1262 N ASP A 81 -4.893 9.232 2.633 1.00 0.24 N ATOM 1263 CA ASP A 81 -5.265 10.614 2.902 1.00 0.25 C ATOM 1264 C ASP A 81 -4.842 11.544 1.771 1.00 0.25 C ATOM 1265 O ASP A 81 -5.654 12.297 1.256 1.00 0.27 O ATOM 1266 CB ASP A 81 -4.626 11.074 4.218 1.00 0.31 C ATOM 1267 CG ASP A 81 -4.657 12.578 4.414 1.00 0.38 C ATOM 1268 OD1 ASP A 81 -5.692 13.097 4.882 1.00 0.48 O ATOM 1269 OD2 ASP A 81 -3.663 13.247 4.073 1.00 0.47 O ATOM 0 H ASP A 81 -4.226 8.845 3.301 1.00 0.24 H new ATOM 0 HA ASP A 81 -6.351 10.658 2.981 1.00 0.25 H new ATOM 0 HB2 ASP A 81 -5.144 10.597 5.050 1.00 0.31 H new ATOM 0 HB3 ASP A 81 -3.591 10.733 4.249 1.00 0.31 H new ATOM 1274 N THR A 82 -3.556 11.536 1.450 1.00 0.23 N ATOM 1275 CA THR A 82 -3.010 12.395 0.392 1.00 0.25 C ATOM 1276 C THR A 82 -3.001 11.725 -0.989 1.00 0.22 C ATOM 1277 O THR A 82 -3.378 12.337 -1.988 1.00 0.23 O ATOM 1278 CB THR A 82 -1.585 12.888 0.747 1.00 0.28 C ATOM 1279 OG1 THR A 82 -1.021 13.625 -0.346 1.00 0.31 O ATOM 1280 CG2 THR A 82 -0.666 11.729 1.105 1.00 0.26 C ATOM 0 H THR A 82 -2.863 10.943 1.906 1.00 0.23 H new ATOM 0 HA THR A 82 -3.683 13.250 0.331 1.00 0.25 H new ATOM 0 HB THR A 82 -1.674 13.539 1.617 1.00 0.28 H new ATOM 0 HG1 THR A 82 -0.122 13.931 -0.105 1.00 0.31 H new ATOM 0 HG21 THR A 82 0.325 12.112 1.348 1.00 0.26 H new ATOM 0 HG22 THR A 82 -1.071 11.196 1.966 1.00 0.26 H new ATOM 0 HG23 THR A 82 -0.593 11.047 0.258 1.00 0.26 H new ATOM 1288 N PHE A 83 -2.558 10.476 -1.045 1.00 0.19 N ATOM 1289 CA PHE A 83 -2.297 9.809 -2.315 1.00 0.19 C ATOM 1290 C PHE A 83 -3.580 9.416 -3.031 1.00 0.19 C ATOM 1291 O PHE A 83 -3.618 9.374 -4.253 1.00 0.21 O ATOM 1292 CB PHE A 83 -1.430 8.573 -2.095 1.00 0.18 C ATOM 1293 CG PHE A 83 -0.579 8.219 -3.280 1.00 0.80 C ATOM 1294 CD1 PHE A 83 0.273 9.160 -3.834 1.00 0.81 C ATOM 1295 CD2 PHE A 83 -0.633 6.956 -3.846 1.00 1.54 C ATOM 1296 CE1 PHE A 83 1.054 8.850 -4.929 1.00 1.50 C ATOM 1297 CE2 PHE A 83 0.146 6.643 -4.945 1.00 2.25 C ATOM 1298 CZ PHE A 83 0.991 7.589 -5.485 1.00 2.24 C ATOM 0 H PHE A 83 -2.371 9.902 -0.223 1.00 0.19 H new ATOM 0 HA PHE A 83 -1.768 10.521 -2.949 1.00 0.19 H new ATOM 0 HB2 PHE A 83 -0.786 8.740 -1.232 1.00 0.18 H new ATOM 0 HB3 PHE A 83 -2.073 7.726 -1.854 1.00 0.18 H new ATOM 0 HD1 PHE A 83 0.327 10.149 -3.404 1.00 0.81 H new ATOM 0 HD2 PHE A 83 -1.289 6.209 -3.425 1.00 1.54 H new ATOM 0 HE1 PHE A 83 1.714 9.594 -5.350 1.00 1.50 H new ATOM 0 HE2 PHE A 83 0.092 5.656 -5.381 1.00 2.25 H new ATOM 0 HZ PHE A 83 1.602 7.344 -6.341 1.00 2.24 H new ATOM 1308 N LEU A 84 -4.623 9.120 -2.279 1.00 0.18 N ATOM 1309 CA LEU A 84 -5.888 8.703 -2.888 1.00 0.19 C ATOM 1310 C LEU A 84 -6.682 9.861 -3.513 1.00 0.22 C ATOM 1311 O LEU A 84 -7.315 9.671 -4.549 1.00 0.26 O ATOM 1312 CB LEU A 84 -6.735 7.924 -1.894 1.00 0.20 C ATOM 1313 CG LEU A 84 -6.305 6.465 -1.743 1.00 0.25 C ATOM 1314 CD1 LEU A 84 -7.180 5.735 -0.751 1.00 0.35 C ATOM 1315 CD2 LEU A 84 -6.350 5.767 -3.086 1.00 0.34 C ATOM 0 H LEU A 84 -4.629 9.157 -1.260 1.00 0.18 H new ATOM 0 HA LEU A 84 -5.626 8.045 -3.717 1.00 0.19 H new ATOM 0 HB2 LEU A 84 -6.683 8.413 -0.921 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -7.777 7.957 -2.212 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.283 6.453 -1.365 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -6.849 4.700 -0.666 1.00 0.35 H new ATOM 0 HD12 LEU A 84 -7.109 6.220 0.223 1.00 0.35 H new ATOM 0 HD13 LEU A 84 -8.215 5.758 -1.093 1.00 0.35 H new ATOM 0 HD21 LEU A 84 -6.042 4.728 -2.967 1.00 0.34 H new ATOM 0 HD22 LEU A 84 -7.366 5.801 -3.480 1.00 0.34 H new ATOM 0 HD23 LEU A 84 -5.675 6.268 -3.779 1.00 0.34 H new ATOM 1327 N PRO A 85 -6.722 11.053 -2.894 1.00 0.22 N ATOM 1328 CA PRO A 85 -7.228 12.257 -3.565 1.00 0.26 C ATOM 1329 C PRO A 85 -6.336 12.646 -4.740 1.00 0.28 C ATOM 1330 O PRO A 85 -6.783 13.250 -5.713 1.00 0.33 O ATOM 1331 CB PRO A 85 -7.182 13.336 -2.475 1.00 0.28 C ATOM 1332 CG PRO A 85 -6.256 12.816 -1.448 1.00 0.30 C ATOM 1333 CD PRO A 85 -6.360 11.321 -1.499 1.00 0.22 C ATOM 0 HA PRO A 85 -8.226 12.113 -3.978 1.00 0.26 H new ATOM 0 HB2 PRO A 85 -6.830 14.286 -2.877 1.00 0.28 H new ATOM 0 HB3 PRO A 85 -8.173 13.515 -2.057 1.00 0.28 H new ATOM 0 HG2 PRO A 85 -5.235 13.141 -1.646 1.00 0.30 H new ATOM 0 HG3 PRO A 85 -6.523 13.190 -0.460 1.00 0.30 H new ATOM 0 HD2 PRO A 85 -5.418 10.843 -1.229 1.00 0.22 H new ATOM 0 HD3 PRO A 85 -7.116 10.947 -0.809 1.00 0.22 H new ATOM 1341 N ARG A 86 -5.068 12.283 -4.626 1.00 0.27 N ATOM 1342 CA ARG A 86 -4.084 12.530 -5.668 1.00 0.31 C ATOM 1343 C ARG A 86 -4.325 11.591 -6.851 1.00 0.35 C ATOM 1344 O ARG A 86 -4.443 12.024 -7.996 1.00 0.48 O ATOM 1345 CB ARG A 86 -2.686 12.339 -5.065 1.00 0.33 C ATOM 1346 CG ARG A 86 -1.528 12.450 -6.039 1.00 0.75 C ATOM 1347 CD ARG A 86 -0.207 12.427 -5.287 1.00 0.72 C ATOM 1348 NE ARG A 86 0.949 12.290 -6.169 1.00 1.43 N ATOM 1349 CZ ARG A 86 2.204 12.536 -5.788 1.00 1.69 C ATOM 1350 NH1 ARG A 86 2.451 13.012 -4.573 1.00 1.44 N ATOM 1351 NH2 ARG A 86 3.212 12.323 -6.625 1.00 2.56 N ATOM 0 H ARG A 86 -4.691 11.808 -3.806 1.00 0.27 H new ATOM 0 HA ARG A 86 -4.170 13.549 -6.045 1.00 0.31 H new ATOM 0 HB2 ARG A 86 -2.546 13.079 -4.277 1.00 0.33 H new ATOM 0 HB3 ARG A 86 -2.646 11.358 -4.592 1.00 0.33 H new ATOM 0 HG2 ARG A 86 -1.563 11.627 -6.753 1.00 0.75 H new ATOM 0 HG3 ARG A 86 -1.613 13.373 -6.613 1.00 0.75 H new ATOM 0 HD2 ARG A 86 -0.109 13.345 -4.708 1.00 0.72 H new ATOM 0 HD3 ARG A 86 -0.214 11.601 -4.576 1.00 0.72 H new ATOM 0 HE ARG A 86 0.788 11.989 -7.130 1.00 1.43 H new ATOM 0 HH11 ARG A 86 1.681 13.190 -3.929 1.00 1.44 H new ATOM 0 HH12 ARG A 86 3.411 13.199 -4.284 1.00 1.44 H new ATOM 0 HH21 ARG A 86 3.029 11.970 -7.564 1.00 2.56 H new ATOM 0 HH22 ARG A 86 4.169 12.513 -6.329 1.00 2.56 H new ATOM 1365 N ASN A 87 -4.400 10.301 -6.557 1.00 0.30 N ATOM 1366 CA ASN A 87 -4.719 9.278 -7.548 1.00 0.37 C ATOM 1367 C ASN A 87 -5.958 8.502 -7.105 1.00 0.34 C ATOM 1368 O ASN A 87 -5.857 7.510 -6.383 1.00 0.35 O ATOM 1369 CB ASN A 87 -3.541 8.313 -7.732 1.00 0.50 C ATOM 1370 CG ASN A 87 -2.440 8.847 -8.638 1.00 0.95 C ATOM 1371 OD1 ASN A 87 -1.684 8.076 -9.225 1.00 1.78 O ATOM 1372 ND2 ASN A 87 -2.354 10.158 -8.788 1.00 1.22 N ATOM 0 H ASN A 87 -4.241 9.931 -5.620 1.00 0.30 H new ATOM 0 HA ASN A 87 -4.916 9.768 -8.502 1.00 0.37 H new ATOM 0 HB2 ASN A 87 -3.115 8.085 -6.755 1.00 0.50 H new ATOM 0 HB3 ASN A 87 -3.914 7.375 -8.144 1.00 0.50 H new ATOM 0 HD21 ASN A 87 -1.645 10.555 -9.405 1.00 1.22 H new ATOM 0 HD22 ASN A 87 -2.996 10.772 -8.287 1.00 1.22 H new ATOM 1379 N PRO A 88 -7.148 8.963 -7.513 1.00 0.38 N ATOM 1380 CA PRO A 88 -8.429 8.399 -7.071 1.00 0.42 C ATOM 1381 C PRO A 88 -8.783 7.092 -7.775 1.00 0.49 C ATOM 1382 O PRO A 88 -9.948 6.835 -8.071 1.00 0.89 O ATOM 1383 CB PRO A 88 -9.449 9.489 -7.445 1.00 0.53 C ATOM 1384 CG PRO A 88 -8.647 10.655 -7.929 1.00 0.51 C ATOM 1385 CD PRO A 88 -7.355 10.085 -8.425 1.00 0.46 C ATOM 0 HA PRO A 88 -8.406 8.150 -6.010 1.00 0.42 H new ATOM 0 HB2 PRO A 88 -10.131 9.136 -8.219 1.00 0.53 H new ATOM 0 HB3 PRO A 88 -10.059 9.765 -6.584 1.00 0.53 H new ATOM 0 HG2 PRO A 88 -9.170 11.186 -8.724 1.00 0.51 H new ATOM 0 HG3 PRO A 88 -8.475 11.372 -7.126 1.00 0.51 H new ATOM 0 HD2 PRO A 88 -7.424 9.760 -9.463 1.00 0.46 H new ATOM 0 HD3 PRO A 88 -6.542 10.809 -8.372 1.00 0.46 H new ATOM 1393 N SER A 89 -7.793 6.242 -7.979 1.00 0.30 N ATOM 1394 CA SER A 89 -7.987 5.036 -8.768 1.00 0.36 C ATOM 1395 C SER A 89 -8.301 3.837 -7.882 1.00 0.34 C ATOM 1396 O SER A 89 -8.556 2.739 -8.374 1.00 0.42 O ATOM 1397 CB SER A 89 -6.732 4.763 -9.598 1.00 0.44 C ATOM 1398 OG SER A 89 -6.353 5.917 -10.331 1.00 1.37 O ATOM 0 H SER A 89 -6.849 6.362 -7.611 1.00 0.30 H new ATOM 0 HA SER A 89 -8.839 5.191 -9.430 1.00 0.36 H new ATOM 0 HB2 SER A 89 -5.916 4.459 -8.943 1.00 0.44 H new ATOM 0 HB3 SER A 89 -6.916 3.936 -10.283 1.00 0.44 H new ATOM 0 HG SER A 89 -5.547 5.722 -10.854 1.00 1.37 H new ATOM 1404 N TRP A 90 -8.306 4.049 -6.571 1.00 0.30 N ATOM 1405 CA TRP A 90 -8.428 2.941 -5.642 1.00 0.28 C ATOM 1406 C TRP A 90 -9.608 3.163 -4.711 1.00 0.32 C ATOM 1407 O TRP A 90 -9.818 2.419 -3.751 1.00 0.33 O ATOM 1408 CB TRP A 90 -7.135 2.783 -4.848 1.00 0.29 C ATOM 1409 CG TRP A 90 -5.904 3.050 -5.665 1.00 0.30 C ATOM 1410 CD1 TRP A 90 -5.053 4.106 -5.531 1.00 0.35 C ATOM 1411 CD2 TRP A 90 -5.398 2.263 -6.752 1.00 0.30 C ATOM 1412 NE1 TRP A 90 -4.044 4.021 -6.453 1.00 0.38 N ATOM 1413 CE2 TRP A 90 -4.231 2.900 -7.216 1.00 0.35 C ATOM 1414 CE3 TRP A 90 -5.812 1.082 -7.371 1.00 0.29 C ATOM 1415 CZ2 TRP A 90 -3.478 2.394 -8.271 1.00 0.39 C ATOM 1416 CZ3 TRP A 90 -5.063 0.582 -8.418 1.00 0.34 C ATOM 1417 CH2 TRP A 90 -3.906 1.237 -8.857 1.00 0.38 C ATOM 0 H TRP A 90 -8.228 4.968 -6.135 1.00 0.30 H new ATOM 0 HA TRP A 90 -8.604 2.023 -6.203 1.00 0.28 H new ATOM 0 HB2 TRP A 90 -7.153 3.464 -3.997 1.00 0.29 H new ATOM 0 HB3 TRP A 90 -7.084 1.771 -4.446 1.00 0.29 H new ATOM 0 HD1 TRP A 90 -5.159 4.896 -4.802 1.00 0.35 H new ATOM 0 HE1 TRP A 90 -3.277 4.686 -6.555 1.00 0.38 H new ATOM 0 HE3 TRP A 90 -6.702 0.569 -7.037 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 -2.587 2.898 -8.614 1.00 0.39 H new ATOM 0 HZ3 TRP A 90 -5.375 -0.329 -8.906 1.00 0.34 H new ATOM 0 HH2 TRP A 90 -3.340 0.819 -9.676 1.00 0.38 H new ATOM 1428 N LYS A 91 -10.379 4.200 -5.010 1.00 0.37 N ATOM 1429 CA LYS A 91 -11.624 4.458 -4.302 1.00 0.43 C ATOM 1430 C LYS A 91 -12.610 3.288 -4.466 1.00 0.41 C ATOM 1431 O LYS A 91 -13.282 2.921 -3.505 1.00 0.42 O ATOM 1432 CB LYS A 91 -12.248 5.780 -4.767 1.00 0.55 C ATOM 1433 CG LYS A 91 -11.496 7.006 -4.266 1.00 1.20 C ATOM 1434 CD LYS A 91 -12.168 8.301 -4.697 1.00 1.38 C ATOM 1435 CE LYS A 91 -11.706 9.484 -3.852 1.00 1.83 C ATOM 1436 NZ LYS A 91 -10.248 9.754 -3.985 1.00 2.61 N ATOM 0 H LYS A 91 -10.162 4.878 -5.741 1.00 0.37 H new ATOM 0 HA LYS A 91 -11.396 4.548 -3.240 1.00 0.43 H new ATOM 0 HB2 LYS A 91 -12.275 5.798 -5.857 1.00 0.55 H new ATOM 0 HB3 LYS A 91 -13.281 5.829 -4.421 1.00 0.55 H new ATOM 0 HG2 LYS A 91 -11.434 6.974 -3.178 1.00 1.20 H new ATOM 0 HG3 LYS A 91 -10.474 6.984 -4.644 1.00 1.20 H new ATOM 0 HD2 LYS A 91 -11.946 8.495 -5.746 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -13.250 8.195 -4.614 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -12.264 10.374 -4.145 1.00 1.83 H new ATOM 0 HE3 LYS A 91 -11.941 9.291 -2.805 1.00 1.83 H new ATOM 0 HZ1 LYS A 91 -9.798 9.701 -3.049 1.00 2.61 H new ATOM 0 HZ2 LYS A 91 -9.820 9.046 -4.616 1.00 2.61 H new ATOM 0 HZ3 LYS A 91 -10.106 10.704 -4.384 1.00 2.61 H new ATOM 1450 N PRO A 92 -12.720 2.676 -5.677 1.00 0.41 N ATOM 1451 CA PRO A 92 -13.531 1.460 -5.884 1.00 0.42 C ATOM 1452 C PRO A 92 -12.985 0.215 -5.175 1.00 0.38 C ATOM 1453 O PRO A 92 -13.487 -0.893 -5.375 1.00 0.48 O ATOM 1454 CB PRO A 92 -13.502 1.252 -7.402 1.00 0.46 C ATOM 1455 CG PRO A 92 -13.099 2.567 -7.962 1.00 0.69 C ATOM 1456 CD PRO A 92 -12.158 3.152 -6.956 1.00 0.43 C ATOM 0 HA PRO A 92 -14.528 1.594 -5.465 1.00 0.42 H new ATOM 0 HB2 PRO A 92 -12.794 0.471 -7.680 1.00 0.46 H new ATOM 0 HB3 PRO A 92 -14.478 0.946 -7.777 1.00 0.46 H new ATOM 0 HG2 PRO A 92 -12.615 2.450 -8.932 1.00 0.69 H new ATOM 0 HG3 PRO A 92 -13.964 3.212 -8.113 1.00 0.69 H new ATOM 0 HD2 PRO A 92 -11.136 2.803 -7.105 1.00 0.43 H new ATOM 0 HD3 PRO A 92 -12.134 4.240 -7.008 1.00 0.43 H new ATOM 1464 N LEU A 93 -11.955 0.392 -4.363 1.00 0.30 N ATOM 1465 CA LEU A 93 -11.398 -0.706 -3.585 1.00 0.26 C ATOM 1466 C LEU A 93 -11.682 -0.495 -2.113 1.00 0.22 C ATOM 1467 O LEU A 93 -12.205 -1.380 -1.432 1.00 0.21 O ATOM 1468 CB LEU A 93 -9.894 -0.804 -3.803 1.00 0.25 C ATOM 1469 CG LEU A 93 -9.480 -0.997 -5.253 1.00 0.25 C ATOM 1470 CD1 LEU A 93 -7.969 -0.925 -5.387 1.00 0.26 C ATOM 1471 CD2 LEU A 93 -10.004 -2.325 -5.778 1.00 0.26 C ATOM 0 H LEU A 93 -11.486 1.287 -4.225 1.00 0.30 H new ATOM 0 HA LEU A 93 -11.865 -1.634 -3.915 1.00 0.26 H new ATOM 0 HB2 LEU A 93 -9.424 0.103 -3.421 1.00 0.25 H new ATOM 0 HB3 LEU A 93 -9.507 -1.636 -3.214 1.00 0.25 H new ATOM 0 HG LEU A 93 -9.914 -0.195 -5.850 1.00 0.25 H new ATOM 0 HD11 LEU A 93 -7.689 -1.065 -6.431 1.00 0.26 H new ATOM 0 HD12 LEU A 93 -7.619 0.049 -5.045 1.00 0.26 H new ATOM 0 HD13 LEU A 93 -7.512 -1.707 -4.781 1.00 0.26 H new ATOM 0 HD21 LEU A 93 -9.700 -2.451 -6.817 1.00 0.26 H new ATOM 0 HD22 LEU A 93 -9.596 -3.139 -5.180 1.00 0.26 H new ATOM 0 HD23 LEU A 93 -11.092 -2.338 -5.714 1.00 0.26 H new ATOM 1483 N ILE A 94 -11.331 0.684 -1.628 1.00 0.27 N ATOM 1484 CA ILE A 94 -11.546 1.026 -0.238 1.00 0.22 C ATOM 1485 C ILE A 94 -12.810 1.865 -0.102 1.00 0.27 C ATOM 1486 O ILE A 94 -13.730 1.740 -0.906 1.00 0.36 O ATOM 1487 CB ILE A 94 -10.335 1.794 0.345 1.00 0.25 C ATOM 1488 CG1 ILE A 94 -10.255 3.221 -0.192 1.00 0.39 C ATOM 1489 CG2 ILE A 94 -9.046 1.066 0.013 1.00 0.27 C ATOM 1490 CD1 ILE A 94 -9.548 4.153 0.758 1.00 0.75 C ATOM 0 H ILE A 94 -10.894 1.421 -2.181 1.00 0.27 H new ATOM 0 HA ILE A 94 -11.661 0.101 0.326 1.00 0.22 H new ATOM 0 HB ILE A 94 -10.472 1.841 1.425 1.00 0.25 H new ATOM 0 HG12 ILE A 94 -9.733 3.218 -1.149 1.00 0.39 H new ATOM 0 HG13 ILE A 94 -11.262 3.593 -0.379 1.00 0.39 H new ATOM 0 HG21 ILE A 94 -8.201 1.615 0.428 1.00 0.27 H new ATOM 0 HG22 ILE A 94 -9.073 0.064 0.441 1.00 0.27 H new ATOM 0 HG23 ILE A 94 -8.937 0.995 -1.069 1.00 0.27 H new ATOM 0 HD11 ILE A 94 -9.518 5.155 0.330 1.00 0.75 H new ATOM 0 HD12 ILE A 94 -10.083 4.180 1.707 1.00 0.75 H new ATOM 0 HD13 ILE A 94 -8.531 3.799 0.925 1.00 0.75 H new ATOM 1502 N HIS A 95 -12.869 2.688 0.931 1.00 0.31 N ATOM 1503 CA HIS A 95 -13.935 3.659 1.057 1.00 0.43 C ATOM 1504 C HIS A 95 -13.754 4.785 0.030 1.00 0.39 C ATOM 1505 O HIS A 95 -14.531 4.881 -0.916 1.00 0.55 O ATOM 1506 CB HIS A 95 -13.990 4.200 2.482 1.00 0.64 C ATOM 1507 CG HIS A 95 -14.803 3.349 3.412 1.00 1.05 C ATOM 1508 ND1 HIS A 95 -16.150 3.542 3.619 1.00 2.01 N ATOM 1509 CD2 HIS A 95 -14.451 2.299 4.191 1.00 1.22 C ATOM 1510 CE1 HIS A 95 -16.592 2.650 4.486 1.00 2.24 C ATOM 1511 NE2 HIS A 95 -15.582 1.883 4.848 1.00 1.70 N ATOM 0 H HIS A 95 -12.190 2.701 1.692 1.00 0.31 H new ATOM 0 HA HIS A 95 -14.888 3.173 0.850 1.00 0.43 H new ATOM 0 HB2 HIS A 95 -12.975 4.282 2.871 1.00 0.64 H new ATOM 0 HB3 HIS A 95 -14.407 5.207 2.465 1.00 0.64 H new ATOM 0 HD2 HIS A 95 -13.464 1.869 4.279 1.00 1.22 H new ATOM 0 HE1 HIS A 95 -17.609 2.563 4.839 1.00 2.24 H new ATOM 0 HE2 HIS A 95 -15.633 1.107 5.508 1.00 1.70 H new ATOM 1520 N SER A 96 -12.726 5.626 0.207 1.00 0.41 N ATOM 1521 CA SER A 96 -12.404 6.653 -0.789 1.00 0.49 C ATOM 1522 C SER A 96 -11.075 7.354 -0.501 1.00 0.67 C ATOM 1523 O SER A 96 -10.247 7.523 -1.397 1.00 1.53 O ATOM 1524 CB SER A 96 -13.527 7.695 -0.871 1.00 0.51 C ATOM 1525 OG SER A 96 -14.097 7.960 0.404 1.00 1.43 O ATOM 0 H SER A 96 -12.111 5.615 1.021 1.00 0.41 H new ATOM 0 HA SER A 96 -12.307 6.139 -1.745 1.00 0.49 H new ATOM 0 HB2 SER A 96 -13.134 8.620 -1.293 1.00 0.51 H new ATOM 0 HB3 SER A 96 -14.303 7.340 -1.549 1.00 0.51 H new ATOM 0 HG SER A 96 -14.807 8.629 0.312 1.00 1.43 H new ATOM 1531 N GLU A 97 -10.877 7.763 0.743 1.00 0.58 N ATOM 1532 CA GLU A 97 -9.735 8.570 1.114 1.00 0.52 C ATOM 1533 C GLU A 97 -9.477 8.376 2.610 1.00 0.61 C ATOM 1534 O GLU A 97 -9.687 7.281 3.130 1.00 0.83 O ATOM 1535 CB GLU A 97 -10.040 10.028 0.747 1.00 0.47 C ATOM 1536 CG GLU A 97 -8.866 10.980 0.826 1.00 1.09 C ATOM 1537 CD GLU A 97 -9.238 12.350 0.318 1.00 1.52 C ATOM 1538 OE1 GLU A 97 -9.659 12.451 -0.851 1.00 1.89 O ATOM 1539 OE2 GLU A 97 -9.148 13.322 1.089 1.00 1.79 O ATOM 0 H GLU A 97 -11.503 7.544 1.518 1.00 0.58 H new ATOM 0 HA GLU A 97 -8.830 8.276 0.582 1.00 0.52 H new ATOM 0 HB2 GLU A 97 -10.438 10.053 -0.267 1.00 0.47 H new ATOM 0 HB3 GLU A 97 -10.827 10.393 1.407 1.00 0.47 H new ATOM 0 HG2 GLU A 97 -8.523 11.053 1.858 1.00 1.09 H new ATOM 0 HG3 GLU A 97 -8.035 10.586 0.241 1.00 1.09 H new ATOM 1546 N VAL A 98 -9.061 9.422 3.301 1.00 0.58 N ATOM 1547 CA VAL A 98 -8.754 9.345 4.732 1.00 0.73 C ATOM 1548 C VAL A 98 -10.032 9.321 5.596 1.00 1.10 C ATOM 1549 O VAL A 98 -10.040 9.794 6.734 1.00 1.50 O ATOM 1550 CB VAL A 98 -7.855 10.534 5.137 1.00 0.62 C ATOM 1551 CG1 VAL A 98 -8.622 11.851 5.083 1.00 0.72 C ATOM 1552 CG2 VAL A 98 -7.221 10.310 6.506 1.00 0.79 C ATOM 0 H VAL A 98 -8.924 10.348 2.896 1.00 0.58 H new ATOM 0 HA VAL A 98 -8.225 8.409 4.911 1.00 0.73 H new ATOM 0 HB VAL A 98 -7.045 10.598 4.411 1.00 0.62 H new ATOM 0 HG11 VAL A 98 -7.962 12.669 5.373 1.00 0.72 H new ATOM 0 HG12 VAL A 98 -8.984 12.020 4.069 1.00 0.72 H new ATOM 0 HG13 VAL A 98 -9.469 11.807 5.768 1.00 0.72 H new ATOM 0 HG21 VAL A 98 -6.595 11.165 6.761 1.00 0.79 H new ATOM 0 HG22 VAL A 98 -8.004 10.197 7.256 1.00 0.79 H new ATOM 0 HG23 VAL A 98 -6.610 9.407 6.481 1.00 0.79 H new ATOM 1562 N PHE A 99 -11.111 8.760 5.046 1.00 1.35 N ATOM 1563 CA PHE A 99 -12.390 8.654 5.757 1.00 1.84 C ATOM 1564 C PHE A 99 -12.997 10.035 5.907 1.00 1.68 C ATOM 1565 O PHE A 99 -13.880 10.277 6.728 1.00 2.21 O ATOM 1566 CB PHE A 99 -12.224 7.962 7.115 1.00 2.46 C ATOM 1567 CG PHE A 99 -11.710 6.553 7.002 1.00 3.26 C ATOM 1568 CD1 PHE A 99 -12.561 5.516 6.654 1.00 3.94 C ATOM 1569 CD2 PHE A 99 -10.377 6.265 7.253 1.00 3.78 C ATOM 1570 CE1 PHE A 99 -12.094 4.219 6.557 1.00 5.00 C ATOM 1571 CE2 PHE A 99 -9.904 4.971 7.158 1.00 4.85 C ATOM 1572 CZ PHE A 99 -10.756 3.952 6.772 1.00 5.42 C ATOM 0 H PHE A 99 -11.125 8.369 4.104 1.00 1.35 H new ATOM 0 HA PHE A 99 -13.068 8.032 5.172 1.00 1.84 H new ATOM 0 HB2 PHE A 99 -11.538 8.544 7.731 1.00 2.46 H new ATOM 0 HB3 PHE A 99 -13.184 7.951 7.630 1.00 2.46 H new ATOM 0 HD1 PHE A 99 -13.602 5.724 6.456 1.00 3.94 H new ATOM 0 HD2 PHE A 99 -9.701 7.062 7.526 1.00 3.78 H new ATOM 0 HE1 PHE A 99 -12.774 3.416 6.314 1.00 5.00 H new ATOM 0 HE2 PHE A 99 -8.870 4.755 7.385 1.00 4.85 H new ATOM 0 HZ PHE A 99 -10.376 2.950 6.639 1.00 5.42 H new ATOM 1582 N LYS A 100 -12.515 10.918 5.050 1.00 1.18 N ATOM 1583 CA LYS A 100 -12.978 12.292 4.968 1.00 1.33 C ATOM 1584 C LYS A 100 -14.459 12.337 4.622 1.00 1.40 C ATOM 1585 O LYS A 100 -15.242 13.075 5.214 1.00 2.17 O ATOM 1586 CB LYS A 100 -12.186 12.997 3.870 1.00 1.40 C ATOM 1587 CG LYS A 100 -12.194 12.219 2.558 1.00 1.30 C ATOM 1588 CD LYS A 100 -12.475 13.117 1.376 1.00 1.47 C ATOM 1589 CE LYS A 100 -12.789 12.323 0.120 1.00 2.02 C ATOM 1590 NZ LYS A 100 -13.029 13.209 -1.050 1.00 2.63 N ATOM 0 H LYS A 100 -11.778 10.696 4.380 1.00 1.18 H new ATOM 0 HA LYS A 100 -12.831 12.783 5.930 1.00 1.33 H new ATOM 0 HB2 LYS A 100 -12.605 13.989 3.704 1.00 1.40 H new ATOM 0 HB3 LYS A 100 -11.157 13.137 4.200 1.00 1.40 H new ATOM 0 HG2 LYS A 100 -11.231 11.728 2.421 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -12.948 11.434 2.606 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -13.314 13.772 1.610 1.00 1.47 H new ATOM 0 HD3 LYS A 100 -11.612 13.757 1.194 1.00 1.47 H new ATOM 0 HE2 LYS A 100 -11.962 11.648 -0.099 1.00 2.02 H new ATOM 0 HE3 LYS A 100 -13.669 11.703 0.293 1.00 2.02 H new ATOM 0 HZ1 LYS A 100 -13.240 12.629 -1.887 1.00 2.63 H new ATOM 0 HZ2 LYS A 100 -13.835 13.836 -0.851 1.00 2.63 H new ATOM 0 HZ3 LYS A 100 -12.180 13.782 -1.231 1.00 2.63 H new ATOM 1604 N SER A 101 -14.814 11.524 3.651 1.00 1.46 N ATOM 1605 CA SER A 101 -16.144 11.483 3.097 1.00 1.92 C ATOM 1606 C SER A 101 -16.560 10.028 2.982 1.00 1.73 C ATOM 1607 O SER A 101 -17.545 9.684 2.341 1.00 2.45 O ATOM 1608 CB SER A 101 -16.117 12.162 1.726 1.00 2.55 C ATOM 1609 OG SER A 101 -17.350 12.029 1.040 1.00 3.05 O ATOM 0 H SER A 101 -14.171 10.861 3.218 1.00 1.46 H new ATOM 0 HA SER A 101 -16.861 12.007 3.729 1.00 1.92 H new ATOM 0 HB2 SER A 101 -15.884 13.220 1.850 1.00 2.55 H new ATOM 0 HB3 SER A 101 -15.319 11.729 1.123 1.00 2.55 H new ATOM 0 HG SER A 101 -17.867 11.297 1.436 1.00 3.05 H new ATOM 1615 N SER A 102 -15.774 9.183 3.630 1.00 1.56 N ATOM 1616 CA SER A 102 -15.960 7.741 3.577 1.00 1.80 C ATOM 1617 C SER A 102 -16.996 7.263 4.601 1.00 2.12 C ATOM 1618 O SER A 102 -17.014 6.090 4.979 1.00 2.73 O ATOM 1619 CB SER A 102 -14.616 7.067 3.839 1.00 2.23 C ATOM 1620 OG SER A 102 -13.603 7.621 3.009 1.00 2.75 O ATOM 0 H SER A 102 -14.988 9.478 4.209 1.00 1.56 H new ATOM 0 HA SER A 102 -16.335 7.473 2.589 1.00 1.80 H new ATOM 0 HB2 SER A 102 -14.341 7.189 4.887 1.00 2.23 H new ATOM 0 HB3 SER A 102 -14.699 5.996 3.654 1.00 2.23 H new ATOM 0 HG SER A 102 -13.996 7.903 2.157 1.00 2.75 H new ATOM 1626 N ILE A 103 -17.863 8.167 5.028 1.00 2.41 N ATOM 1627 CA ILE A 103 -18.885 7.842 6.011 1.00 3.09 C ATOM 1628 C ILE A 103 -20.175 7.414 5.318 1.00 3.67 C ATOM 1629 O ILE A 103 -20.630 8.131 4.401 1.00 4.17 O ATOM 1630 CB ILE A 103 -19.158 9.023 6.968 1.00 3.79 C ATOM 1631 CG1 ILE A 103 -19.476 10.298 6.185 1.00 4.17 C ATOM 1632 CG2 ILE A 103 -17.962 9.240 7.888 1.00 4.47 C ATOM 1633 CD1 ILE A 103 -19.837 11.474 7.062 1.00 5.26 C ATOM 1634 OXT ILE A 103 -20.714 6.347 5.676 1.00 4.12 O ATOM 0 H ILE A 103 -17.879 9.135 4.708 1.00 2.41 H new ATOM 0 HA ILE A 103 -18.510 7.012 6.610 1.00 3.09 H new ATOM 0 HB ILE A 103 -20.028 8.779 7.578 1.00 3.79 H new ATOM 0 HG12 ILE A 103 -18.614 10.563 5.574 1.00 4.17 H new ATOM 0 HG13 ILE A 103 -20.302 10.098 5.502 1.00 4.17 H new ATOM 0 HG21 ILE A 103 -18.165 10.075 8.558 1.00 4.47 H new ATOM 0 HG22 ILE A 103 -17.786 8.338 8.475 1.00 4.47 H new ATOM 0 HG23 ILE A 103 -17.078 9.462 7.290 1.00 4.47 H new ATOM 0 HD11 ILE A 103 -20.050 12.342 6.438 1.00 5.26 H new ATOM 0 HD12 ILE A 103 -20.718 11.229 7.655 1.00 5.26 H new ATOM 0 HD13 ILE A 103 -19.004 11.701 7.727 1.00 5.26 H new TER 1646 ILE A 103