USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 732 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 179 THR OG1 : rot 133:sc= 0.509 USER MOD Set 1.2: A 186 HIS : no HD1:sc= -0.0902 K(o=0.42,f=-1.5) USER MOD Single : A 113 THR OG1 : rot 24:sc= 0.218 USER MOD Single : A 122 GLN :FLIP amide:sc= -8.3! C(o=-13!,f=-8.3!) USER MOD Single : A 123 SER OG : rot 180:sc= 0.0013 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 GLN :FLIP amide:sc= 0.108 F(o=-5.8!,f=0.11) USER MOD Single : A 148 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 CYS SG : rot 125:sc= 0.144 USER MOD Single : A 160 GLN : amide:sc= -5.22! C(o=-5.2!,f=-7.3!) USER MOD Single : A 161 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 167 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -170:sc= 0.0426 (180deg=-0.154) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot -73:sc= 0.445 USER MOD Single : A 174 CYS SG : rot 61:sc= -4.35! USER MOD Single : A 176 LYS NZ :NH3+ 158:sc= -0.107 (180deg=-0.856) USER MOD Single : A 178 GLN : amide:sc= -2.34 K(o=-2.3,f=-3.7!) USER MOD Single : A 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD Single : A 188 THR OG1 : rot 51:sc= -3.5! USER MOD Single : A 191 LYS NZ :NH3+ -154:sc= -0.165 (180deg=-0.767) USER MOD Single : A 192 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 195 MET CE :methyl 139:sc= -0.312 (180deg=-1.28) USER MOD Single : A 197 THR OG1 : rot 27:sc= 0.576 USER MOD Single : A 200 SER OG : rot -10:sc= 0.906 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 113 -8.289 -11.049 -3.903 1.00 7.11 N ATOM 2 CA THR A 113 -9.213 -10.104 -3.251 1.00 6.14 C ATOM 3 C THR A 113 -10.318 -10.881 -2.550 1.00 5.79 C ATOM 4 O THR A 113 -11.349 -11.194 -3.144 1.00 6.50 O ATOM 5 CB THR A 113 -9.821 -9.136 -4.284 1.00 6.71 C ATOM 6 OG1 THR A 113 -8.771 -8.567 -5.080 1.00 7.38 O ATOM 7 CG2 THR A 113 -10.599 -8.022 -3.597 1.00 6.15 C ATOM 0 HA THR A 113 -8.659 -9.516 -2.519 1.00 6.14 H new ATOM 0 HB THR A 113 -10.509 -9.695 -4.918 1.00 6.71 H new ATOM 0 HG1 THR A 113 -7.995 -9.165 -5.074 1.00 7.38 H new ATOM 0 HG21 THR A 113 -11.017 -7.353 -4.349 1.00 6.15 H new ATOM 0 HG22 THR A 113 -11.406 -8.453 -3.005 1.00 6.15 H new ATOM 0 HG23 THR A 113 -9.931 -7.461 -2.944 1.00 6.15 H new ATOM 17 N PRO A 114 -10.099 -11.229 -1.275 1.00 4.87 N ATOM 18 CA PRO A 114 -10.982 -12.121 -0.540 1.00 4.81 C ATOM 19 C PRO A 114 -12.269 -11.448 -0.114 1.00 4.53 C ATOM 20 O PRO A 114 -12.322 -10.234 0.076 1.00 4.06 O ATOM 21 CB PRO A 114 -10.137 -12.520 0.659 1.00 4.27 C ATOM 22 CG PRO A 114 -9.352 -11.303 0.936 1.00 3.42 C ATOM 23 CD PRO A 114 -9.030 -10.700 -0.406 1.00 4.00 C ATOM 0 HA PRO A 114 -11.315 -12.967 -1.141 1.00 4.81 H new ATOM 0 HB2 PRO A 114 -10.755 -12.803 1.511 1.00 4.27 H new ATOM 0 HB3 PRO A 114 -9.495 -13.371 0.434 1.00 4.27 H new ATOM 0 HG2 PRO A 114 -9.920 -10.605 1.551 1.00 3.42 H new ATOM 0 HG3 PRO A 114 -8.441 -11.543 1.484 1.00 3.42 H new ATOM 0 HD2 PRO A 114 -9.040 -9.611 -0.372 1.00 4.00 H new ATOM 0 HD3 PRO A 114 -8.042 -10.998 -0.755 1.00 4.00 H new ATOM 31 N GLU A 115 -13.299 -12.252 0.046 1.00 5.07 N ATOM 32 CA GLU A 115 -14.583 -11.770 0.506 1.00 5.19 C ATOM 33 C GLU A 115 -14.638 -11.861 2.025 1.00 4.43 C ATOM 34 O GLU A 115 -15.637 -11.521 2.654 1.00 4.78 O ATOM 35 CB GLU A 115 -15.705 -12.581 -0.135 1.00 6.23 C ATOM 36 CG GLU A 115 -15.786 -14.010 0.362 1.00 6.90 C ATOM 37 CD GLU A 115 -14.698 -14.894 -0.212 1.00 7.69 C ATOM 38 OE1 GLU A 115 -14.915 -15.495 -1.288 1.00 8.15 O ATOM 39 OE2 GLU A 115 -13.623 -15.002 0.410 1.00 8.07 O ATOM 0 H GLU A 115 -13.270 -13.255 -0.139 1.00 5.07 H new ATOM 0 HA GLU A 115 -14.714 -10.728 0.214 1.00 5.19 H new ATOM 0 HB2 GLU A 115 -16.656 -12.084 0.058 1.00 6.23 H new ATOM 0 HB3 GLU A 115 -15.563 -12.589 -1.216 1.00 6.23 H new ATOM 0 HG2 GLU A 115 -15.716 -14.016 1.450 1.00 6.90 H new ATOM 0 HG3 GLU A 115 -16.760 -14.425 0.103 1.00 6.90 H new ATOM 46 N LEU A 116 -13.537 -12.328 2.596 1.00 3.64 N ATOM 47 CA LEU A 116 -13.397 -12.453 4.035 1.00 3.32 C ATOM 48 C LEU A 116 -12.718 -11.208 4.601 1.00 2.70 C ATOM 49 O LEU A 116 -13.103 -10.708 5.661 1.00 3.08 O ATOM 50 CB LEU A 116 -12.590 -13.727 4.356 1.00 3.81 C ATOM 51 CG LEU A 116 -12.475 -14.134 5.837 1.00 4.59 C ATOM 52 CD1 LEU A 116 -11.423 -13.309 6.563 1.00 5.28 C ATOM 53 CD2 LEU A 116 -13.821 -14.016 6.532 1.00 5.24 C ATOM 0 H LEU A 116 -12.716 -12.631 2.072 1.00 3.64 H new ATOM 0 HA LEU A 116 -14.379 -12.538 4.500 1.00 3.32 H new ATOM 0 HB2 LEU A 116 -13.039 -14.557 3.812 1.00 3.81 H new ATOM 0 HB3 LEU A 116 -11.582 -13.596 3.963 1.00 3.81 H new ATOM 0 HG LEU A 116 -12.158 -15.176 5.869 1.00 4.59 H new ATOM 0 HD11 LEU A 116 -11.369 -13.624 7.605 1.00 5.28 H new ATOM 0 HD12 LEU A 116 -10.453 -13.458 6.089 1.00 5.28 H new ATOM 0 HD13 LEU A 116 -11.692 -12.254 6.516 1.00 5.28 H new ATOM 0 HD21 LEU A 116 -13.718 -14.308 7.577 1.00 5.24 H new ATOM 0 HD22 LEU A 116 -14.170 -12.985 6.476 1.00 5.24 H new ATOM 0 HD23 LEU A 116 -14.542 -14.670 6.042 1.00 5.24 H new ATOM 65 N ALA A 117 -11.717 -10.699 3.885 1.00 2.22 N ATOM 66 CA ALA A 117 -10.954 -9.558 4.370 1.00 1.98 C ATOM 67 C ALA A 117 -10.369 -8.721 3.228 1.00 1.62 C ATOM 68 O ALA A 117 -11.105 -8.128 2.443 1.00 1.76 O ATOM 69 CB ALA A 117 -9.854 -10.022 5.320 1.00 2.55 C ATOM 0 H ALA A 117 -11.420 -11.056 2.977 1.00 2.22 H new ATOM 0 HA ALA A 117 -11.644 -8.912 4.914 1.00 1.98 H new ATOM 0 HB1 ALA A 117 -9.292 -9.158 5.675 1.00 2.55 H new ATOM 0 HB2 ALA A 117 -10.301 -10.538 6.170 1.00 2.55 H new ATOM 0 HB3 ALA A 117 -9.183 -10.702 4.795 1.00 2.55 H new ATOM 75 N LEU A 118 -9.043 -8.697 3.132 1.00 1.44 N ATOM 76 CA LEU A 118 -8.338 -7.793 2.227 1.00 1.29 C ATOM 77 C LEU A 118 -7.162 -8.506 1.599 1.00 0.93 C ATOM 78 O LEU A 118 -6.570 -9.386 2.223 1.00 0.99 O ATOM 79 CB LEU A 118 -7.811 -6.584 2.989 1.00 1.74 C ATOM 80 CG LEU A 118 -8.781 -5.970 4.003 1.00 2.42 C ATOM 81 CD1 LEU A 118 -8.021 -5.177 5.049 1.00 3.17 C ATOM 82 CD2 LEU A 118 -9.797 -5.083 3.299 1.00 2.96 C ATOM 0 H LEU A 118 -8.428 -9.301 3.677 1.00 1.44 H new ATOM 0 HA LEU A 118 -9.038 -7.469 1.457 1.00 1.29 H new ATOM 0 HB2 LEU A 118 -6.901 -6.875 3.513 1.00 1.74 H new ATOM 0 HB3 LEU A 118 -7.532 -5.816 2.268 1.00 1.74 H new ATOM 0 HG LEU A 118 -9.316 -6.778 4.502 1.00 2.42 H new ATOM 0 HD11 LEU A 118 -8.725 -4.747 5.762 1.00 3.17 H new ATOM 0 HD12 LEU A 118 -7.330 -5.836 5.574 1.00 3.17 H new ATOM 0 HD13 LEU A 118 -7.462 -4.377 4.564 1.00 3.17 H new ATOM 0 HD21 LEU A 118 -10.478 -4.655 4.035 1.00 2.96 H new ATOM 0 HD22 LEU A 118 -9.278 -4.280 2.775 1.00 2.96 H new ATOM 0 HD23 LEU A 118 -10.364 -5.677 2.582 1.00 2.96 H new ATOM 94 N ASP A 119 -6.829 -8.166 0.366 1.00 0.79 N ATOM 95 CA ASP A 119 -5.715 -8.831 -0.273 1.00 0.65 C ATOM 96 C ASP A 119 -4.572 -7.870 -0.515 1.00 0.56 C ATOM 97 O ASP A 119 -4.738 -6.838 -1.151 1.00 0.59 O ATOM 98 CB ASP A 119 -6.157 -9.450 -1.601 1.00 0.84 C ATOM 99 CG ASP A 119 -5.016 -10.088 -2.373 1.00 1.06 C ATOM 100 OD1 ASP A 119 -4.581 -9.502 -3.383 1.00 1.51 O ATOM 101 OD2 ASP A 119 -4.522 -11.153 -1.947 1.00 1.42 O ATOM 0 H ASP A 119 -7.299 -7.456 -0.196 1.00 0.79 H new ATOM 0 HA ASP A 119 -5.369 -9.619 0.396 1.00 0.65 H new ATOM 0 HB2 ASP A 119 -6.921 -10.203 -1.407 1.00 0.84 H new ATOM 0 HB3 ASP A 119 -6.618 -8.679 -2.218 1.00 0.84 H new ATOM 106 N TRP A 120 -3.404 -8.246 -0.037 1.00 0.54 N ATOM 107 CA TRP A 120 -2.180 -7.515 -0.273 1.00 0.57 C ATOM 108 C TRP A 120 -1.109 -8.515 -0.563 1.00 0.74 C ATOM 109 O TRP A 120 -1.251 -9.698 -0.252 1.00 0.85 O ATOM 110 CB TRP A 120 -1.719 -6.726 0.943 1.00 0.65 C ATOM 111 CG TRP A 120 -2.834 -6.104 1.709 1.00 0.64 C ATOM 112 CD1 TRP A 120 -3.866 -5.399 1.193 1.00 0.60 C ATOM 113 CD2 TRP A 120 -3.038 -6.149 3.123 1.00 0.76 C ATOM 114 NE1 TRP A 120 -4.709 -4.988 2.197 1.00 0.73 N ATOM 115 CE2 TRP A 120 -4.218 -5.436 3.395 1.00 0.82 C ATOM 116 CE3 TRP A 120 -2.339 -6.721 4.187 1.00 0.88 C ATOM 117 CZ2 TRP A 120 -4.711 -5.281 4.686 1.00 0.99 C ATOM 118 CZ3 TRP A 120 -2.829 -6.566 5.468 1.00 1.02 C ATOM 119 CH2 TRP A 120 -4.005 -5.851 5.708 1.00 1.08 C ATOM 0 H TRP A 120 -3.278 -9.081 0.535 1.00 0.54 H new ATOM 0 HA TRP A 120 -2.364 -6.817 -1.090 1.00 0.57 H new ATOM 0 HB2 TRP A 120 -1.160 -7.388 1.604 1.00 0.65 H new ATOM 0 HB3 TRP A 120 -1.032 -5.944 0.619 1.00 0.65 H new ATOM 0 HD1 TRP A 120 -4.007 -5.189 0.143 1.00 0.60 H new ATOM 0 HE1 TRP A 120 -5.560 -4.440 2.071 1.00 0.73 H new ATOM 0 HE3 TRP A 120 -1.429 -7.276 4.011 1.00 0.88 H new ATOM 0 HZ2 TRP A 120 -5.620 -4.729 4.874 1.00 0.99 H new ATOM 0 HZ3 TRP A 120 -2.295 -7.004 6.298 1.00 1.02 H new ATOM 0 HH2 TRP A 120 -4.363 -5.747 6.721 1.00 1.08 H new ATOM 130 N ARG A 121 -0.048 -8.055 -1.149 1.00 0.81 N ATOM 131 CA ARG A 121 1.095 -8.895 -1.345 1.00 1.06 C ATOM 132 C ARG A 121 2.339 -8.063 -1.454 1.00 1.14 C ATOM 133 O ARG A 121 2.301 -6.929 -1.918 1.00 1.05 O ATOM 134 CB ARG A 121 0.923 -9.747 -2.580 1.00 1.20 C ATOM 135 CG ARG A 121 1.142 -8.997 -3.876 1.00 1.31 C ATOM 136 CD ARG A 121 0.212 -9.505 -4.946 1.00 1.18 C ATOM 137 NE ARG A 121 0.601 -9.054 -6.275 1.00 1.60 N ATOM 138 CZ ARG A 121 0.261 -9.680 -7.396 1.00 1.99 C ATOM 139 NH1 ARG A 121 -0.488 -10.778 -7.344 1.00 2.34 N ATOM 140 NH2 ARG A 121 0.672 -9.210 -8.563 1.00 2.57 N ATOM 0 H ARG A 121 0.052 -7.103 -1.500 1.00 0.81 H new ATOM 0 HA ARG A 121 1.190 -9.555 -0.483 1.00 1.06 H new ATOM 0 HB2 ARG A 121 1.621 -10.583 -2.533 1.00 1.20 H new ATOM 0 HB3 ARG A 121 -0.082 -10.170 -2.581 1.00 1.20 H new ATOM 0 HG2 ARG A 121 0.976 -7.931 -3.718 1.00 1.31 H new ATOM 0 HG3 ARG A 121 2.176 -9.114 -4.200 1.00 1.31 H new ATOM 0 HD2 ARG A 121 0.197 -10.595 -4.924 1.00 1.18 H new ATOM 0 HD3 ARG A 121 -0.802 -9.168 -4.733 1.00 1.18 H new ATOM 0 HE ARG A 121 1.167 -8.209 -6.349 1.00 1.60 H new ATOM 0 HH11 ARG A 121 -0.801 -11.139 -6.443 1.00 2.34 H new ATOM 0 HH12 ARG A 121 -0.749 -11.259 -8.205 1.00 2.34 H new ATOM 0 HH21 ARG A 121 1.248 -8.369 -8.600 1.00 2.57 H new ATOM 0 HH22 ARG A 121 0.413 -9.689 -9.426 1.00 2.57 H new ATOM 154 N GLN A 122 3.433 -8.603 -1.016 1.00 1.38 N ATOM 155 CA GLN A 122 4.704 -8.066 -1.414 1.00 1.54 C ATOM 156 C GLN A 122 5.520 -9.165 -2.061 1.00 1.87 C ATOM 157 O GLN A 122 5.575 -10.291 -1.573 1.00 2.08 O ATOM 158 CB GLN A 122 5.433 -7.463 -0.206 1.00 1.73 C ATOM 159 CG GLN A 122 6.940 -7.322 -0.376 1.00 2.15 C ATOM 160 CD GLN A 122 7.383 -6.216 -1.324 1.00 2.06 C ATOM 161 OE1 GLN A 122 6.586 -5.898 -2.335 1.00 2.16 O flip ATOM 162 NE2 GLN A 122 8.452 -5.633 -1.140 1.00 1.91 N flip ATOM 0 H GLN A 122 3.477 -9.407 -0.389 1.00 1.38 H new ATOM 0 HA GLN A 122 4.558 -7.264 -2.137 1.00 1.54 H new ATOM 0 HB2 GLN A 122 5.011 -6.480 0.002 1.00 1.73 H new ATOM 0 HB3 GLN A 122 5.236 -8.085 0.667 1.00 1.73 H new ATOM 0 HG2 GLN A 122 7.385 -7.140 0.602 1.00 2.15 H new ATOM 0 HG3 GLN A 122 7.339 -8.270 -0.737 1.00 2.15 H new ATOM 0 HE21 GLN A 122 9.048 -5.896 -0.355 1.00 1.91 H new ATOM 0 HE22 GLN A 122 8.742 -4.887 -1.773 1.00 1.91 H new ATOM 171 N SER A 123 6.144 -8.824 -3.163 1.00 1.94 N ATOM 172 CA SER A 123 6.980 -9.731 -3.887 1.00 2.32 C ATOM 173 C SER A 123 8.202 -8.954 -4.323 1.00 2.43 C ATOM 174 O SER A 123 8.235 -7.729 -4.163 1.00 2.22 O ATOM 175 CB SER A 123 6.214 -10.313 -5.081 1.00 2.41 C ATOM 176 OG SER A 123 6.917 -11.386 -5.684 1.00 2.83 O ATOM 0 H SER A 123 6.080 -7.896 -3.581 1.00 1.94 H new ATOM 0 HA SER A 123 7.284 -10.577 -3.270 1.00 2.32 H new ATOM 0 HB2 SER A 123 5.235 -10.660 -4.751 1.00 2.41 H new ATOM 0 HB3 SER A 123 6.042 -9.530 -5.820 1.00 2.41 H new ATOM 0 HG SER A 123 6.399 -11.733 -6.440 1.00 2.83 H new ATOM 182 N ALA A 124 9.158 -9.632 -4.923 1.00 2.77 N ATOM 183 CA ALA A 124 10.392 -9.008 -5.373 1.00 2.93 C ATOM 184 C ALA A 124 10.131 -7.892 -6.377 1.00 2.70 C ATOM 185 O ALA A 124 11.020 -7.119 -6.723 1.00 2.77 O ATOM 186 CB ALA A 124 11.283 -10.068 -5.986 1.00 3.35 C ATOM 0 H ALA A 124 9.105 -10.632 -5.114 1.00 2.77 H new ATOM 0 HA ALA A 124 10.884 -8.555 -4.512 1.00 2.93 H new ATOM 0 HB1 ALA A 124 12.212 -9.610 -6.327 1.00 3.35 H new ATOM 0 HB2 ALA A 124 11.507 -10.831 -5.240 1.00 3.35 H new ATOM 0 HB3 ALA A 124 10.773 -10.527 -6.833 1.00 3.35 H new ATOM 192 N GLU A 125 8.905 -7.836 -6.834 1.00 2.48 N ATOM 193 CA GLU A 125 8.508 -6.983 -7.923 1.00 2.35 C ATOM 194 C GLU A 125 7.666 -5.784 -7.478 1.00 1.91 C ATOM 195 O GLU A 125 7.802 -4.694 -8.036 1.00 1.78 O ATOM 196 CB GLU A 125 7.713 -7.849 -8.883 1.00 2.56 C ATOM 197 CG GLU A 125 6.854 -8.867 -8.143 1.00 2.56 C ATOM 198 CD GLU A 125 6.000 -9.712 -9.066 1.00 2.86 C ATOM 199 OE1 GLU A 125 4.865 -10.061 -8.682 1.00 3.11 O ATOM 200 OE2 GLU A 125 6.455 -10.020 -10.187 1.00 2.98 O ATOM 0 H GLU A 125 8.141 -8.393 -6.451 1.00 2.48 H new ATOM 0 HA GLU A 125 9.399 -6.558 -8.386 1.00 2.35 H new ATOM 0 HB2 GLU A 125 7.076 -7.217 -9.502 1.00 2.56 H new ATOM 0 HB3 GLU A 125 8.396 -8.369 -9.555 1.00 2.56 H new ATOM 0 HG2 GLU A 125 7.500 -9.521 -7.557 1.00 2.56 H new ATOM 0 HG3 GLU A 125 6.208 -8.343 -7.439 1.00 2.56 H new ATOM 207 N GLU A 126 6.805 -5.970 -6.478 1.00 1.72 N ATOM 208 CA GLU A 126 5.760 -4.988 -6.209 1.00 1.33 C ATOM 209 C GLU A 126 5.137 -5.166 -4.835 1.00 1.27 C ATOM 210 O GLU A 126 5.038 -6.290 -4.332 1.00 1.55 O ATOM 211 CB GLU A 126 4.672 -5.126 -7.269 1.00 1.42 C ATOM 212 CG GLU A 126 4.007 -6.488 -7.242 1.00 1.81 C ATOM 213 CD GLU A 126 3.261 -6.794 -8.527 1.00 1.94 C ATOM 214 OE1 GLU A 126 2.022 -6.929 -8.489 1.00 2.06 O ATOM 215 OE2 GLU A 126 3.916 -6.916 -9.583 1.00 2.15 O ATOM 0 H GLU A 126 6.810 -6.776 -5.853 1.00 1.72 H new ATOM 0 HA GLU A 126 6.217 -3.999 -6.237 1.00 1.33 H new ATOM 0 HB2 GLU A 126 3.918 -4.354 -7.115 1.00 1.42 H new ATOM 0 HB3 GLU A 126 5.105 -4.956 -8.255 1.00 1.42 H new ATOM 0 HG2 GLU A 126 4.763 -7.255 -7.073 1.00 1.81 H new ATOM 0 HG3 GLU A 126 3.313 -6.534 -6.403 1.00 1.81 H new ATOM 222 N VAL A 127 4.685 -4.061 -4.244 1.00 0.96 N ATOM 223 CA VAL A 127 3.840 -4.142 -3.071 1.00 0.93 C ATOM 224 C VAL A 127 2.423 -3.857 -3.499 1.00 0.66 C ATOM 225 O VAL A 127 2.120 -2.821 -4.085 1.00 0.53 O ATOM 226 CB VAL A 127 4.233 -3.171 -1.916 1.00 1.08 C ATOM 227 CG1 VAL A 127 3.001 -2.542 -1.261 1.00 1.31 C ATOM 228 CG2 VAL A 127 5.022 -3.898 -0.848 1.00 1.53 C ATOM 0 H VAL A 127 4.891 -3.113 -4.559 1.00 0.96 H new ATOM 0 HA VAL A 127 3.961 -5.145 -2.662 1.00 0.93 H new ATOM 0 HB VAL A 127 4.842 -2.385 -2.362 1.00 1.08 H new ATOM 0 HG11 VAL A 127 3.316 -1.872 -0.461 1.00 1.31 H new ATOM 0 HG12 VAL A 127 2.440 -1.978 -2.007 1.00 1.31 H new ATOM 0 HG13 VAL A 127 2.368 -3.327 -0.848 1.00 1.31 H new ATOM 0 HG21 VAL A 127 5.285 -3.201 -0.052 1.00 1.53 H new ATOM 0 HG22 VAL A 127 4.418 -4.707 -0.437 1.00 1.53 H new ATOM 0 HG23 VAL A 127 5.932 -4.310 -1.285 1.00 1.53 H new ATOM 238 N ILE A 128 1.590 -4.823 -3.255 1.00 0.64 N ATOM 239 CA ILE A 128 0.190 -4.736 -3.582 1.00 0.48 C ATOM 240 C ILE A 128 -0.646 -4.645 -2.338 1.00 0.46 C ATOM 241 O ILE A 128 -0.485 -5.430 -1.419 1.00 0.56 O ATOM 242 CB ILE A 128 -0.257 -5.936 -4.436 1.00 0.56 C ATOM 243 CG1 ILE A 128 0.447 -5.857 -5.778 1.00 0.64 C ATOM 244 CG2 ILE A 128 -1.760 -5.927 -4.613 1.00 0.55 C ATOM 245 CD1 ILE A 128 0.463 -4.448 -6.294 1.00 0.55 C ATOM 0 H ILE A 128 1.861 -5.704 -2.819 1.00 0.64 H new ATOM 0 HA ILE A 128 0.044 -3.827 -4.166 1.00 0.48 H new ATOM 0 HB ILE A 128 0.009 -6.869 -3.939 1.00 0.56 H new ATOM 0 HG12 ILE A 128 1.469 -6.224 -5.679 1.00 0.64 H new ATOM 0 HG13 ILE A 128 -0.056 -6.505 -6.495 1.00 0.64 H new ATOM 0 HG21 ILE A 128 -2.060 -6.782 -5.219 1.00 0.55 H new ATOM 0 HG22 ILE A 128 -2.242 -5.987 -3.637 1.00 0.55 H new ATOM 0 HG23 ILE A 128 -2.062 -5.005 -5.111 1.00 0.55 H new ATOM 0 HD11 ILE A 128 0.973 -4.419 -7.257 1.00 0.55 H new ATOM 0 HD12 ILE A 128 -0.561 -4.093 -6.415 1.00 0.55 H new ATOM 0 HD13 ILE A 128 0.988 -3.807 -5.586 1.00 0.55 H new ATOM 257 N VAL A 129 -1.503 -3.649 -2.300 1.00 0.39 N ATOM 258 CA VAL A 129 -2.515 -3.577 -1.261 1.00 0.42 C ATOM 259 C VAL A 129 -3.866 -3.340 -1.926 1.00 0.36 C ATOM 260 O VAL A 129 -4.031 -2.405 -2.707 1.00 0.37 O ATOM 261 CB VAL A 129 -2.184 -2.468 -0.209 1.00 0.52 C ATOM 262 CG1 VAL A 129 -2.146 -1.103 -0.838 1.00 0.73 C ATOM 263 CG2 VAL A 129 -3.157 -2.454 0.949 1.00 0.79 C ATOM 0 H VAL A 129 -1.523 -2.881 -2.970 1.00 0.39 H new ATOM 0 HA VAL A 129 -2.541 -4.516 -0.709 1.00 0.42 H new ATOM 0 HB VAL A 129 -1.196 -2.716 0.179 1.00 0.52 H new ATOM 0 HG11 VAL A 129 -1.913 -0.358 -0.077 1.00 0.73 H new ATOM 0 HG12 VAL A 129 -1.380 -1.081 -1.614 1.00 0.73 H new ATOM 0 HG13 VAL A 129 -3.117 -0.879 -1.280 1.00 0.73 H new ATOM 0 HG21 VAL A 129 -2.879 -1.665 1.648 1.00 0.79 H new ATOM 0 HG22 VAL A 129 -4.164 -2.270 0.576 1.00 0.79 H new ATOM 0 HG23 VAL A 129 -3.129 -3.417 1.459 1.00 0.79 H new ATOM 273 N LYS A 130 -4.793 -4.249 -1.683 1.00 0.36 N ATOM 274 CA LYS A 130 -6.143 -4.134 -2.188 1.00 0.33 C ATOM 275 C LYS A 130 -7.098 -4.127 -1.016 1.00 0.37 C ATOM 276 O LYS A 130 -7.160 -5.093 -0.243 1.00 0.43 O ATOM 277 CB LYS A 130 -6.512 -5.286 -3.129 1.00 0.37 C ATOM 278 CG LYS A 130 -5.498 -5.592 -4.218 1.00 0.83 C ATOM 279 CD LYS A 130 -5.965 -6.779 -5.045 1.00 1.18 C ATOM 280 CE LYS A 130 -4.957 -7.177 -6.108 1.00 1.57 C ATOM 281 NZ LYS A 130 -5.427 -8.347 -6.895 1.00 1.50 N ATOM 0 H LYS A 130 -4.627 -5.089 -1.128 1.00 0.36 H new ATOM 0 HA LYS A 130 -6.212 -3.208 -2.760 1.00 0.33 H new ATOM 0 HB2 LYS A 130 -6.661 -6.186 -2.532 1.00 0.37 H new ATOM 0 HB3 LYS A 130 -7.467 -5.055 -3.601 1.00 0.37 H new ATOM 0 HG2 LYS A 130 -5.367 -4.721 -4.859 1.00 0.83 H new ATOM 0 HG3 LYS A 130 -4.527 -5.808 -3.772 1.00 0.83 H new ATOM 0 HD2 LYS A 130 -6.148 -7.628 -4.386 1.00 1.18 H new ATOM 0 HD3 LYS A 130 -6.914 -6.535 -5.522 1.00 1.18 H new ATOM 0 HE2 LYS A 130 -4.781 -6.335 -6.777 1.00 1.57 H new ATOM 0 HE3 LYS A 130 -4.004 -7.414 -5.636 1.00 1.57 H new ATOM 0 HZ1 LYS A 130 -4.715 -8.592 -7.612 1.00 1.50 H new ATOM 0 HZ2 LYS A 130 -5.572 -9.157 -6.259 1.00 1.50 H new ATOM 0 HZ3 LYS A 130 -6.324 -8.111 -7.365 1.00 1.50 H new ATOM 295 N LEU A 131 -7.851 -3.052 -0.891 1.00 0.38 N ATOM 296 CA LEU A 131 -8.648 -2.837 0.277 1.00 0.47 C ATOM 297 C LEU A 131 -10.093 -2.664 -0.129 1.00 0.45 C ATOM 298 O LEU A 131 -10.387 -2.020 -1.130 1.00 0.41 O ATOM 299 CB LEU A 131 -8.108 -1.601 0.980 1.00 0.51 C ATOM 300 CG LEU A 131 -6.598 -1.649 1.236 1.00 0.60 C ATOM 301 CD1 LEU A 131 -5.971 -0.296 0.964 1.00 0.72 C ATOM 302 CD2 LEU A 131 -6.298 -2.104 2.653 1.00 0.96 C ATOM 0 H LEU A 131 -7.920 -2.316 -1.594 1.00 0.38 H new ATOM 0 HA LEU A 131 -8.600 -3.686 0.958 1.00 0.47 H new ATOM 0 HB2 LEU A 131 -8.338 -0.722 0.378 1.00 0.51 H new ATOM 0 HB3 LEU A 131 -8.625 -1.480 1.932 1.00 0.51 H new ATOM 0 HG LEU A 131 -6.162 -2.377 0.552 1.00 0.60 H new ATOM 0 HD11 LEU A 131 -4.898 -0.348 1.151 1.00 0.72 H new ATOM 0 HD12 LEU A 131 -6.145 -0.016 -0.075 1.00 0.72 H new ATOM 0 HD13 LEU A 131 -6.418 0.451 1.620 1.00 0.72 H new ATOM 0 HD21 LEU A 131 -5.219 -2.129 2.806 1.00 0.96 H new ATOM 0 HD22 LEU A 131 -6.749 -1.409 3.361 1.00 0.96 H new ATOM 0 HD23 LEU A 131 -6.710 -3.101 2.810 1.00 0.96 H new ATOM 314 N ARG A 132 -10.987 -3.267 0.618 1.00 0.57 N ATOM 315 CA ARG A 132 -12.394 -3.162 0.313 1.00 0.63 C ATOM 316 C ARG A 132 -13.019 -2.074 1.164 1.00 0.60 C ATOM 317 O ARG A 132 -12.809 -2.009 2.373 1.00 0.67 O ATOM 318 CB ARG A 132 -13.114 -4.503 0.502 1.00 0.85 C ATOM 319 CG ARG A 132 -13.165 -4.994 1.935 1.00 1.32 C ATOM 320 CD ARG A 132 -13.919 -6.307 2.035 1.00 1.84 C ATOM 321 NE ARG A 132 -14.170 -6.690 3.421 1.00 2.53 N ATOM 322 CZ ARG A 132 -14.812 -7.801 3.779 1.00 3.25 C ATOM 323 NH1 ARG A 132 -15.264 -8.638 2.854 1.00 3.46 N ATOM 324 NH2 ARG A 132 -15.012 -8.074 5.063 1.00 4.13 N ATOM 0 H ARG A 132 -10.767 -3.833 1.438 1.00 0.57 H new ATOM 0 HA ARG A 132 -12.503 -2.893 -0.738 1.00 0.63 H new ATOM 0 HB2 ARG A 132 -14.133 -4.409 0.127 1.00 0.85 H new ATOM 0 HB3 ARG A 132 -12.617 -5.257 -0.109 1.00 0.85 H new ATOM 0 HG2 ARG A 132 -12.152 -5.123 2.315 1.00 1.32 H new ATOM 0 HG3 ARG A 132 -13.648 -4.245 2.563 1.00 1.32 H new ATOM 0 HD2 ARG A 132 -14.868 -6.221 1.505 1.00 1.84 H new ATOM 0 HD3 ARG A 132 -13.347 -7.092 1.540 1.00 1.84 H new ATOM 0 HE ARG A 132 -13.834 -6.071 4.159 1.00 2.53 H new ATOM 0 HH11 ARG A 132 -15.120 -8.432 1.865 1.00 3.46 H new ATOM 0 HH12 ARG A 132 -15.755 -9.488 3.131 1.00 3.46 H new ATOM 0 HH21 ARG A 132 -14.674 -7.432 5.780 1.00 4.13 H new ATOM 0 HH22 ARG A 132 -15.504 -8.926 5.333 1.00 4.13 H new ATOM 338 N VAL A 133 -13.773 -1.214 0.516 1.00 0.60 N ATOM 339 CA VAL A 133 -14.329 -0.048 1.168 1.00 0.57 C ATOM 340 C VAL A 133 -15.778 -0.275 1.569 1.00 0.81 C ATOM 341 O VAL A 133 -16.651 -0.513 0.734 1.00 0.99 O ATOM 342 CB VAL A 133 -14.191 1.205 0.273 1.00 0.62 C ATOM 343 CG1 VAL A 133 -14.263 0.828 -1.191 1.00 0.81 C ATOM 344 CG2 VAL A 133 -15.242 2.244 0.615 1.00 0.99 C ATOM 0 H VAL A 133 -14.017 -1.301 -0.471 1.00 0.60 H new ATOM 0 HA VAL A 133 -13.758 0.124 2.080 1.00 0.57 H new ATOM 0 HB VAL A 133 -13.213 1.647 0.465 1.00 0.62 H new ATOM 0 HG11 VAL A 133 -14.164 1.725 -1.803 1.00 0.81 H new ATOM 0 HG12 VAL A 133 -13.456 0.135 -1.428 1.00 0.81 H new ATOM 0 HG13 VAL A 133 -15.222 0.352 -1.397 1.00 0.81 H new ATOM 0 HG21 VAL A 133 -15.119 3.113 -0.031 1.00 0.99 H new ATOM 0 HG22 VAL A 133 -16.235 1.820 0.467 1.00 0.99 H new ATOM 0 HG23 VAL A 133 -15.129 2.547 1.656 1.00 0.99 H new ATOM 354 N GLY A 134 -16.002 -0.247 2.870 1.00 0.96 N ATOM 355 CA GLY A 134 -17.339 -0.298 3.406 1.00 1.24 C ATOM 356 C GLY A 134 -17.647 0.963 4.152 1.00 1.32 C ATOM 357 O GLY A 134 -18.523 0.995 5.015 1.00 1.54 O ATOM 0 H GLY A 134 -15.267 -0.189 3.574 1.00 0.96 H new ATOM 0 HA2 GLY A 134 -18.057 -0.435 2.598 1.00 1.24 H new ATOM 0 HA3 GLY A 134 -17.439 -1.156 4.071 1.00 1.24 H new ATOM 361 N VAL A 135 -16.920 2.014 3.810 1.00 1.26 N ATOM 362 CA VAL A 135 -16.979 3.242 4.563 1.00 1.46 C ATOM 363 C VAL A 135 -18.087 4.147 4.013 1.00 1.62 C ATOM 364 O VAL A 135 -18.025 5.375 4.083 1.00 2.18 O ATOM 365 CB VAL A 135 -15.605 3.948 4.539 1.00 1.46 C ATOM 366 CG1 VAL A 135 -15.267 4.431 3.135 1.00 1.28 C ATOM 367 CG2 VAL A 135 -15.533 5.088 5.550 1.00 1.79 C ATOM 0 H VAL A 135 -16.283 2.035 3.013 1.00 1.26 H new ATOM 0 HA VAL A 135 -17.219 3.015 5.602 1.00 1.46 H new ATOM 0 HB VAL A 135 -14.855 3.214 4.834 1.00 1.46 H new ATOM 0 HG11 VAL A 135 -14.295 4.925 3.144 1.00 1.28 H new ATOM 0 HG12 VAL A 135 -15.235 3.580 2.455 1.00 1.28 H new ATOM 0 HG13 VAL A 135 -16.028 5.135 2.799 1.00 1.28 H new ATOM 0 HG21 VAL A 135 -14.550 5.557 5.500 1.00 1.79 H new ATOM 0 HG22 VAL A 135 -16.300 5.827 5.320 1.00 1.79 H new ATOM 0 HG23 VAL A 135 -15.697 4.695 6.553 1.00 1.79 H new ATOM 377 N GLY A 136 -19.119 3.515 3.480 1.00 1.55 N ATOM 378 CA GLY A 136 -20.166 4.242 2.811 1.00 1.67 C ATOM 379 C GLY A 136 -19.814 4.483 1.362 1.00 1.53 C ATOM 380 O GLY A 136 -19.517 3.538 0.631 1.00 1.55 O ATOM 0 H GLY A 136 -19.247 2.503 3.501 1.00 1.55 H new ATOM 0 HA2 GLY A 136 -21.100 3.683 2.874 1.00 1.67 H new ATOM 0 HA3 GLY A 136 -20.330 5.196 3.313 1.00 1.67 H new ATOM 384 N PRO A 137 -19.824 5.739 0.917 1.00 1.48 N ATOM 385 CA PRO A 137 -19.511 6.095 -0.462 1.00 1.43 C ATOM 386 C PRO A 137 -18.022 6.070 -0.759 1.00 1.16 C ATOM 387 O PRO A 137 -17.190 6.423 0.078 1.00 1.06 O ATOM 388 CB PRO A 137 -20.059 7.523 -0.609 1.00 1.57 C ATOM 389 CG PRO A 137 -20.738 7.842 0.688 1.00 1.71 C ATOM 390 CD PRO A 137 -20.142 6.923 1.713 1.00 1.57 C ATOM 0 HA PRO A 137 -19.948 5.381 -1.160 1.00 1.43 H new ATOM 0 HB2 PRO A 137 -19.255 8.230 -0.812 1.00 1.57 H new ATOM 0 HB3 PRO A 137 -20.759 7.588 -1.442 1.00 1.57 H new ATOM 0 HG2 PRO A 137 -20.581 8.885 0.963 1.00 1.71 H new ATOM 0 HG3 PRO A 137 -21.815 7.692 0.610 1.00 1.71 H new ATOM 0 HD2 PRO A 137 -19.254 7.352 2.178 1.00 1.57 H new ATOM 0 HD3 PRO A 137 -20.844 6.698 2.516 1.00 1.57 H new ATOM 398 N LEU A 138 -17.704 5.633 -1.963 1.00 1.15 N ATOM 399 CA LEU A 138 -16.364 5.670 -2.467 1.00 0.96 C ATOM 400 C LEU A 138 -16.096 7.032 -3.085 1.00 0.97 C ATOM 401 O LEU A 138 -16.727 7.434 -4.066 1.00 1.14 O ATOM 402 CB LEU A 138 -16.227 4.559 -3.499 1.00 1.06 C ATOM 403 CG LEU A 138 -14.959 4.574 -4.352 1.00 0.85 C ATOM 404 CD1 LEU A 138 -13.876 3.725 -3.712 1.00 0.80 C ATOM 405 CD2 LEU A 138 -15.256 4.087 -5.760 1.00 1.69 C ATOM 0 H LEU A 138 -18.382 5.241 -2.616 1.00 1.15 H new ATOM 0 HA LEU A 138 -15.636 5.517 -1.670 1.00 0.96 H new ATOM 0 HB2 LEU A 138 -16.277 3.602 -2.979 1.00 1.06 H new ATOM 0 HB3 LEU A 138 -17.088 4.605 -4.166 1.00 1.06 H new ATOM 0 HG LEU A 138 -14.599 5.601 -4.413 1.00 0.85 H new ATOM 0 HD11 LEU A 138 -12.981 3.748 -4.334 1.00 0.80 H new ATOM 0 HD12 LEU A 138 -13.641 4.119 -2.723 1.00 0.80 H new ATOM 0 HD13 LEU A 138 -14.227 2.697 -3.619 1.00 0.80 H new ATOM 0 HD21 LEU A 138 -14.341 4.105 -6.352 1.00 1.69 H new ATOM 0 HD22 LEU A 138 -15.642 3.068 -5.719 1.00 1.69 H new ATOM 0 HD23 LEU A 138 -15.999 4.738 -6.221 1.00 1.69 H new ATOM 417 N GLN A 139 -15.169 7.732 -2.481 1.00 0.83 N ATOM 418 CA GLN A 139 -14.748 9.034 -2.936 1.00 0.88 C ATOM 419 C GLN A 139 -13.265 8.980 -3.235 1.00 0.75 C ATOM 420 O GLN A 139 -12.572 8.112 -2.725 1.00 0.66 O ATOM 421 CB GLN A 139 -15.073 10.104 -1.888 1.00 0.96 C ATOM 422 CG GLN A 139 -14.297 9.968 -0.591 1.00 0.86 C ATOM 423 CD GLN A 139 -14.744 8.788 0.271 1.00 0.89 C ATOM 424 OE1 GLN A 139 -14.133 7.620 0.085 1.00 1.11 O flip ATOM 425 NE2 GLN A 139 -15.631 8.928 1.109 1.00 0.93 N flip ATOM 0 H GLN A 139 -14.678 7.409 -1.647 1.00 0.83 H new ATOM 0 HA GLN A 139 -15.286 9.306 -3.844 1.00 0.88 H new ATOM 0 HB2 GLN A 139 -14.873 11.086 -2.316 1.00 0.96 H new ATOM 0 HB3 GLN A 139 -16.139 10.065 -1.665 1.00 0.96 H new ATOM 0 HG2 GLN A 139 -13.237 9.857 -0.822 1.00 0.86 H new ATOM 0 HG3 GLN A 139 -14.404 10.888 -0.016 1.00 0.86 H new ATOM 0 HE21 GLN A 139 -16.081 9.836 1.229 1.00 0.93 H new ATOM 0 HE22 GLN A 139 -15.918 8.137 1.685 1.00 0.93 H new ATOM 434 N LEU A 140 -12.793 9.906 -4.055 1.00 0.83 N ATOM 435 CA LEU A 140 -11.411 9.896 -4.549 1.00 0.79 C ATOM 436 C LEU A 140 -10.399 9.876 -3.411 1.00 0.65 C ATOM 437 O LEU A 140 -9.250 9.479 -3.596 1.00 0.70 O ATOM 438 CB LEU A 140 -11.148 11.103 -5.459 1.00 0.98 C ATOM 439 CG LEU A 140 -11.567 10.950 -6.922 1.00 1.73 C ATOM 440 CD1 LEU A 140 -10.797 9.810 -7.541 1.00 2.38 C ATOM 441 CD2 LEU A 140 -13.068 10.724 -7.055 1.00 2.60 C ATOM 0 H LEU A 140 -13.350 10.687 -4.401 1.00 0.83 H new ATOM 0 HA LEU A 140 -11.287 8.979 -5.125 1.00 0.79 H new ATOM 0 HB2 LEU A 140 -11.668 11.966 -5.042 1.00 0.98 H new ATOM 0 HB3 LEU A 140 -10.082 11.328 -5.430 1.00 0.98 H new ATOM 0 HG LEU A 140 -11.336 11.875 -7.450 1.00 1.73 H new ATOM 0 HD11 LEU A 140 -11.092 9.696 -8.584 1.00 2.38 H new ATOM 0 HD12 LEU A 140 -9.729 10.020 -7.486 1.00 2.38 H new ATOM 0 HD13 LEU A 140 -11.013 8.889 -7.000 1.00 2.38 H new ATOM 0 HD21 LEU A 140 -13.328 10.620 -8.108 1.00 2.60 H new ATOM 0 HD22 LEU A 140 -13.348 9.816 -6.521 1.00 2.60 H new ATOM 0 HD23 LEU A 140 -13.603 11.574 -6.631 1.00 2.60 H new ATOM 453 N GLU A 141 -10.826 10.347 -2.254 1.00 0.63 N ATOM 454 CA GLU A 141 -9.984 10.412 -1.070 1.00 0.64 C ATOM 455 C GLU A 141 -9.695 9.044 -0.465 1.00 0.59 C ATOM 456 O GLU A 141 -8.948 8.941 0.510 1.00 0.70 O ATOM 457 CB GLU A 141 -10.629 11.262 -0.010 1.00 0.78 C ATOM 458 CG GLU A 141 -11.556 10.489 0.875 1.00 1.06 C ATOM 459 CD GLU A 141 -11.976 11.268 2.100 1.00 1.78 C ATOM 460 OE1 GLU A 141 -11.410 11.033 3.186 1.00 2.58 O ATOM 461 OE2 GLU A 141 -12.894 12.112 1.984 1.00 2.05 O ATOM 0 H GLU A 141 -11.772 10.698 -2.107 1.00 0.63 H new ATOM 0 HA GLU A 141 -9.041 10.847 -1.402 1.00 0.64 H new ATOM 0 HB2 GLU A 141 -9.853 11.723 0.601 1.00 0.78 H new ATOM 0 HB3 GLU A 141 -11.182 12.071 -0.487 1.00 0.78 H new ATOM 0 HG2 GLU A 141 -12.443 10.206 0.307 1.00 1.06 H new ATOM 0 HG3 GLU A 141 -11.069 9.565 1.186 1.00 1.06 H new ATOM 468 N ASP A 142 -10.250 8.000 -1.042 1.00 0.51 N ATOM 469 CA ASP A 142 -10.408 6.749 -0.345 1.00 0.51 C ATOM 470 C ASP A 142 -9.103 5.982 -0.227 1.00 0.50 C ATOM 471 O ASP A 142 -9.007 5.042 0.563 1.00 0.56 O ATOM 472 CB ASP A 142 -11.402 5.892 -1.113 1.00 0.57 C ATOM 473 CG ASP A 142 -10.874 5.439 -2.472 1.00 1.64 C ATOM 474 OD1 ASP A 142 -10.907 4.219 -2.756 1.00 2.37 O ATOM 475 OD2 ASP A 142 -10.411 6.293 -3.246 1.00 2.39 O ATOM 0 H ASP A 142 -10.601 7.997 -2.000 1.00 0.51 H new ATOM 0 HA ASP A 142 -10.757 6.971 0.663 1.00 0.51 H new ATOM 0 HB2 ASP A 142 -11.654 5.015 -0.517 1.00 0.57 H new ATOM 0 HB3 ASP A 142 -12.324 6.455 -1.257 1.00 0.57 H new ATOM 480 N VAL A 143 -8.089 6.403 -0.960 1.00 0.49 N ATOM 481 CA VAL A 143 -6.725 6.070 -0.604 1.00 0.47 C ATOM 482 C VAL A 143 -5.891 7.334 -0.513 1.00 0.47 C ATOM 483 O VAL A 143 -5.763 8.071 -1.493 1.00 0.59 O ATOM 484 CB VAL A 143 -6.054 5.070 -1.564 1.00 0.55 C ATOM 485 CG1 VAL A 143 -4.694 4.651 -1.016 1.00 0.53 C ATOM 486 CG2 VAL A 143 -6.934 3.851 -1.765 1.00 0.65 C ATOM 0 H VAL A 143 -8.184 6.973 -1.801 1.00 0.49 H new ATOM 0 HA VAL A 143 -6.777 5.574 0.365 1.00 0.47 H new ATOM 0 HB VAL A 143 -5.913 5.557 -2.529 1.00 0.55 H new ATOM 0 HG11 VAL A 143 -4.228 3.944 -1.702 1.00 0.53 H new ATOM 0 HG12 VAL A 143 -4.057 5.530 -0.912 1.00 0.53 H new ATOM 0 HG13 VAL A 143 -4.824 4.180 -0.042 1.00 0.53 H new ATOM 0 HG21 VAL A 143 -6.443 3.156 -2.446 1.00 0.65 H new ATOM 0 HG22 VAL A 143 -7.102 3.361 -0.806 1.00 0.65 H new ATOM 0 HG23 VAL A 143 -7.891 4.158 -2.188 1.00 0.65 H new ATOM 496 N ASP A 144 -5.331 7.594 0.653 1.00 0.40 N ATOM 497 CA ASP A 144 -4.376 8.673 0.790 1.00 0.41 C ATOM 498 C ASP A 144 -2.990 8.081 0.963 1.00 0.33 C ATOM 499 O ASP A 144 -2.633 7.601 2.030 1.00 0.33 O ATOM 500 CB ASP A 144 -4.723 9.584 1.967 1.00 0.47 C ATOM 501 CG ASP A 144 -3.795 10.777 2.066 1.00 0.91 C ATOM 502 OD1 ASP A 144 -3.897 11.688 1.223 1.00 1.11 O ATOM 503 OD2 ASP A 144 -2.952 10.804 2.985 1.00 1.52 O ATOM 0 H ASP A 144 -5.520 7.077 1.512 1.00 0.40 H new ATOM 0 HA ASP A 144 -4.407 9.288 -0.110 1.00 0.41 H new ATOM 0 HB2 ASP A 144 -5.750 9.934 1.862 1.00 0.47 H new ATOM 0 HB3 ASP A 144 -4.674 9.011 2.893 1.00 0.47 H new ATOM 508 N ALA A 145 -2.209 8.096 -0.088 1.00 0.38 N ATOM 509 CA ALA A 145 -0.919 7.453 -0.046 1.00 0.36 C ATOM 510 C ALA A 145 0.192 8.486 -0.124 1.00 0.39 C ATOM 511 O ALA A 145 0.271 9.250 -1.089 1.00 0.47 O ATOM 512 CB ALA A 145 -0.789 6.438 -1.173 1.00 0.48 C ATOM 0 H ALA A 145 -2.440 8.542 -0.976 1.00 0.38 H new ATOM 0 HA ALA A 145 -0.829 6.923 0.902 1.00 0.36 H new ATOM 0 HB1 ALA A 145 0.191 5.964 -1.124 1.00 0.48 H new ATOM 0 HB2 ALA A 145 -1.565 5.679 -1.071 1.00 0.48 H new ATOM 0 HB3 ALA A 145 -0.900 6.943 -2.132 1.00 0.48 H new ATOM 518 N ALA A 146 1.054 8.510 0.881 1.00 0.38 N ATOM 519 CA ALA A 146 2.161 9.451 0.885 1.00 0.49 C ATOM 520 C ALA A 146 3.457 8.700 0.694 1.00 0.48 C ATOM 521 O ALA A 146 3.809 7.868 1.510 1.00 0.66 O ATOM 522 CB ALA A 146 2.191 10.226 2.190 1.00 0.56 C ATOM 0 H ALA A 146 1.009 7.896 1.695 1.00 0.38 H new ATOM 0 HA ALA A 146 2.031 10.161 0.068 1.00 0.49 H new ATOM 0 HB1 ALA A 146 3.026 10.927 2.178 1.00 0.56 H new ATOM 0 HB2 ALA A 146 1.257 10.776 2.308 1.00 0.56 H new ATOM 0 HB3 ALA A 146 2.312 9.533 3.022 1.00 0.56 H new ATOM 528 N PHE A 147 4.185 8.982 -0.362 1.00 0.57 N ATOM 529 CA PHE A 147 5.393 8.241 -0.606 1.00 0.59 C ATOM 530 C PHE A 147 6.568 9.181 -0.757 1.00 0.68 C ATOM 531 O PHE A 147 6.554 10.113 -1.564 1.00 0.94 O ATOM 532 CB PHE A 147 5.223 7.335 -1.828 1.00 0.82 C ATOM 533 CG PHE A 147 5.819 5.983 -1.636 1.00 2.08 C ATOM 534 CD1 PHE A 147 7.116 5.852 -1.198 1.00 2.46 C ATOM 535 CD2 PHE A 147 5.073 4.843 -1.877 1.00 3.01 C ATOM 536 CE1 PHE A 147 7.667 4.603 -0.994 1.00 3.72 C ATOM 537 CE2 PHE A 147 5.618 3.591 -1.683 1.00 4.26 C ATOM 538 CZ PHE A 147 6.919 3.469 -1.239 1.00 4.62 C ATOM 0 H PHE A 147 3.966 9.703 -1.050 1.00 0.57 H new ATOM 0 HA PHE A 147 5.598 7.600 0.251 1.00 0.59 H new ATOM 0 HB2 PHE A 147 4.161 7.230 -2.051 1.00 0.82 H new ATOM 0 HB3 PHE A 147 5.685 7.810 -2.693 1.00 0.82 H new ATOM 0 HD1 PHE A 147 7.709 6.735 -1.012 1.00 2.46 H new ATOM 0 HD2 PHE A 147 4.053 4.934 -2.221 1.00 3.01 H new ATOM 0 HE1 PHE A 147 8.684 4.513 -0.642 1.00 3.72 H new ATOM 0 HE2 PHE A 147 5.028 2.708 -1.878 1.00 4.26 H new ATOM 0 HZ PHE A 147 7.350 2.491 -1.084 1.00 4.62 H new ATOM 548 N THR A 148 7.578 8.905 0.032 1.00 0.54 N ATOM 549 CA THR A 148 8.760 9.722 0.107 1.00 0.64 C ATOM 550 C THR A 148 9.961 8.897 -0.272 1.00 0.71 C ATOM 551 O THR A 148 9.880 7.669 -0.324 1.00 0.74 O ATOM 552 CB THR A 148 8.976 10.207 1.533 1.00 0.56 C ATOM 553 OG1 THR A 148 7.721 10.545 2.143 1.00 0.65 O ATOM 554 CG2 THR A 148 9.894 11.404 1.557 1.00 0.81 C ATOM 0 H THR A 148 7.600 8.093 0.649 1.00 0.54 H new ATOM 0 HA THR A 148 8.634 10.570 -0.567 1.00 0.64 H new ATOM 0 HB THR A 148 9.440 9.399 2.098 1.00 0.56 H new ATOM 0 HG1 THR A 148 7.498 9.877 2.824 1.00 0.65 H new ATOM 0 HG21 THR A 148 10.035 11.734 2.586 1.00 0.81 H new ATOM 0 HG22 THR A 148 10.858 11.132 1.128 1.00 0.81 H new ATOM 0 HG23 THR A 148 9.453 12.212 0.974 1.00 0.81 H new ATOM 562 N ASP A 149 11.087 9.567 -0.447 1.00 0.84 N ATOM 563 CA ASP A 149 12.297 8.915 -0.870 1.00 0.98 C ATOM 564 C ASP A 149 12.769 7.971 0.199 1.00 0.79 C ATOM 565 O ASP A 149 13.647 7.147 -0.025 1.00 0.92 O ATOM 566 CB ASP A 149 13.404 9.931 -1.178 1.00 1.23 C ATOM 567 CG ASP A 149 13.064 10.886 -2.309 1.00 1.87 C ATOM 568 OD1 ASP A 149 12.017 11.571 -2.237 1.00 2.28 O ATOM 569 OD2 ASP A 149 13.866 10.988 -3.260 1.00 2.17 O ATOM 0 H ASP A 149 11.180 10.572 -0.299 1.00 0.84 H new ATOM 0 HA ASP A 149 12.076 8.362 -1.783 1.00 0.98 H new ATOM 0 HB2 ASP A 149 13.614 10.509 -0.278 1.00 1.23 H new ATOM 0 HB3 ASP A 149 14.317 9.393 -1.432 1.00 1.23 H new ATOM 574 N THR A 150 12.202 8.114 1.379 1.00 0.56 N ATOM 575 CA THR A 150 12.575 7.274 2.473 1.00 0.54 C ATOM 576 C THR A 150 11.374 6.775 3.287 1.00 0.64 C ATOM 577 O THR A 150 11.552 6.232 4.367 1.00 0.88 O ATOM 578 CB THR A 150 13.612 7.961 3.378 1.00 0.53 C ATOM 579 OG1 THR A 150 13.074 9.168 3.933 1.00 0.67 O ATOM 580 CG2 THR A 150 14.864 8.283 2.581 1.00 0.59 C ATOM 0 H THR A 150 11.484 8.805 1.594 1.00 0.56 H new ATOM 0 HA THR A 150 13.036 6.390 2.033 1.00 0.54 H new ATOM 0 HB THR A 150 13.864 7.280 4.191 1.00 0.53 H new ATOM 0 HG1 THR A 150 13.746 9.592 4.507 1.00 0.67 H new ATOM 0 HG21 THR A 150 15.593 8.769 3.229 1.00 0.59 H new ATOM 0 HG22 THR A 150 15.289 7.361 2.184 1.00 0.59 H new ATOM 0 HG23 THR A 150 14.609 8.950 1.757 1.00 0.59 H new ATOM 588 N ASP A 151 10.145 6.984 2.823 1.00 0.55 N ATOM 589 CA ASP A 151 8.995 6.426 3.552 1.00 0.63 C ATOM 590 C ASP A 151 7.726 6.378 2.716 1.00 0.57 C ATOM 591 O ASP A 151 7.686 6.898 1.615 1.00 0.54 O ATOM 592 CB ASP A 151 8.737 7.180 4.866 1.00 0.71 C ATOM 593 CG ASP A 151 8.624 8.680 4.686 1.00 0.79 C ATOM 594 OD1 ASP A 151 9.624 9.393 4.906 1.00 0.97 O ATOM 595 OD2 ASP A 151 7.531 9.151 4.306 1.00 1.00 O ATOM 0 H ASP A 151 9.917 7.513 1.981 1.00 0.55 H new ATOM 0 HA ASP A 151 9.266 5.397 3.786 1.00 0.63 H new ATOM 0 HB2 ASP A 151 7.818 6.805 5.317 1.00 0.71 H new ATOM 0 HB3 ASP A 151 9.546 6.965 5.565 1.00 0.71 H new ATOM 600 N CYS A 152 6.696 5.724 3.247 1.00 0.66 N ATOM 601 CA CYS A 152 5.447 5.537 2.531 1.00 0.61 C ATOM 602 C CYS A 152 4.255 5.442 3.475 1.00 0.63 C ATOM 603 O CYS A 152 4.361 4.939 4.595 1.00 0.85 O ATOM 604 CB CYS A 152 5.519 4.273 1.680 1.00 0.97 C ATOM 605 SG CYS A 152 3.918 3.660 1.093 1.00 1.56 S ATOM 0 H CYS A 152 6.708 5.313 4.180 1.00 0.66 H new ATOM 0 HA CYS A 152 5.304 6.410 1.895 1.00 0.61 H new ATOM 0 HB2 CYS A 152 6.156 4.469 0.817 1.00 0.97 H new ATOM 0 HB3 CYS A 152 6.002 3.488 2.261 1.00 0.97 H new ATOM 0 HG CYS A 152 3.942 3.555 -0.203 1.00 1.56 H new ATOM 611 N VAL A 153 3.127 5.928 2.986 1.00 0.49 N ATOM 612 CA VAL A 153 1.863 5.882 3.677 1.00 0.43 C ATOM 613 C VAL A 153 0.795 5.414 2.737 1.00 0.37 C ATOM 614 O VAL A 153 0.716 5.822 1.586 1.00 0.37 O ATOM 615 CB VAL A 153 1.480 7.259 4.267 1.00 0.43 C ATOM 616 CG1 VAL A 153 -0.030 7.441 4.359 1.00 0.41 C ATOM 617 CG2 VAL A 153 2.122 7.453 5.632 1.00 0.60 C ATOM 0 H VAL A 153 3.070 6.377 2.072 1.00 0.49 H new ATOM 0 HA VAL A 153 1.959 5.183 4.508 1.00 0.43 H new ATOM 0 HB VAL A 153 1.860 8.020 3.585 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -0.253 8.422 4.779 1.00 0.41 H new ATOM 0 HG12 VAL A 153 -0.467 7.364 3.363 1.00 0.41 H new ATOM 0 HG13 VAL A 153 -0.451 6.667 5.001 1.00 0.41 H new ATOM 0 HG21 VAL A 153 1.841 8.428 6.031 1.00 0.60 H new ATOM 0 HG22 VAL A 153 1.780 6.671 6.310 1.00 0.60 H new ATOM 0 HG23 VAL A 153 3.206 7.400 5.535 1.00 0.60 H new ATOM 627 N VAL A 154 0.034 4.507 3.248 1.00 0.36 N ATOM 628 CA VAL A 154 -1.129 4.006 2.599 1.00 0.34 C ATOM 629 C VAL A 154 -2.307 4.336 3.471 1.00 0.28 C ATOM 630 O VAL A 154 -2.307 4.038 4.659 1.00 0.29 O ATOM 631 CB VAL A 154 -1.032 2.482 2.339 1.00 0.40 C ATOM 632 CG1 VAL A 154 -1.858 1.680 3.283 1.00 0.38 C ATOM 633 CG2 VAL A 154 -1.433 2.198 0.921 1.00 0.45 C ATOM 0 H VAL A 154 0.210 4.080 4.158 1.00 0.36 H new ATOM 0 HA VAL A 154 -1.237 4.471 1.619 1.00 0.34 H new ATOM 0 HB VAL A 154 0.003 2.183 2.506 1.00 0.40 H new ATOM 0 HG11 VAL A 154 -1.749 0.620 3.052 1.00 0.38 H new ATOM 0 HG12 VAL A 154 -1.525 1.864 4.304 1.00 0.38 H new ATOM 0 HG13 VAL A 154 -2.905 1.967 3.185 1.00 0.38 H new ATOM 0 HG21 VAL A 154 -1.367 1.127 0.732 1.00 0.45 H new ATOM 0 HG22 VAL A 154 -2.458 2.532 0.759 1.00 0.45 H new ATOM 0 HG23 VAL A 154 -0.766 2.728 0.241 1.00 0.45 H new ATOM 643 N ARG A 155 -3.257 5.051 2.950 1.00 0.30 N ATOM 644 CA ARG A 155 -4.381 5.382 3.766 1.00 0.33 C ATOM 645 C ARG A 155 -5.698 4.966 3.154 1.00 0.45 C ATOM 646 O ARG A 155 -5.958 5.210 1.988 1.00 0.63 O ATOM 647 CB ARG A 155 -4.349 6.860 4.100 1.00 0.46 C ATOM 648 CG ARG A 155 -5.499 7.343 4.949 1.00 0.79 C ATOM 649 CD ARG A 155 -6.576 7.985 4.097 1.00 1.06 C ATOM 650 NE ARG A 155 -7.534 8.725 4.925 1.00 1.59 N ATOM 651 CZ ARG A 155 -8.612 9.363 4.464 1.00 1.99 C ATOM 652 NH1 ARG A 155 -8.847 9.454 3.162 1.00 2.40 N ATOM 653 NH2 ARG A 155 -9.457 9.923 5.316 1.00 2.42 N ATOM 0 H ARG A 155 -3.278 5.406 1.994 1.00 0.30 H new ATOM 0 HA ARG A 155 -4.303 4.810 4.691 1.00 0.33 H new ATOM 0 HB2 ARG A 155 -3.416 7.081 4.618 1.00 0.46 H new ATOM 0 HB3 ARG A 155 -4.339 7.428 3.170 1.00 0.46 H new ATOM 0 HG2 ARG A 155 -5.922 6.506 5.504 1.00 0.79 H new ATOM 0 HG3 ARG A 155 -5.136 8.062 5.684 1.00 0.79 H new ATOM 0 HD2 ARG A 155 -6.118 8.660 3.374 1.00 1.06 H new ATOM 0 HD3 ARG A 155 -7.100 7.217 3.528 1.00 1.06 H new ATOM 0 HE ARG A 155 -7.363 8.754 5.930 1.00 1.59 H new ATOM 0 HH11 ARG A 155 -8.199 9.033 2.496 1.00 2.40 H new ATOM 0 HH12 ARG A 155 -9.676 9.945 2.826 1.00 2.40 H new ATOM 0 HH21 ARG A 155 -9.283 9.866 6.319 1.00 2.42 H new ATOM 0 HH22 ARG A 155 -10.282 10.412 4.969 1.00 2.42 H new ATOM 667 N PHE A 156 -6.510 4.330 3.968 1.00 0.44 N ATOM 668 CA PHE A 156 -7.876 4.013 3.613 1.00 0.49 C ATOM 669 C PHE A 156 -8.796 5.157 4.021 1.00 0.57 C ATOM 670 O PHE A 156 -8.465 5.909 4.931 1.00 0.71 O ATOM 671 CB PHE A 156 -8.306 2.739 4.330 1.00 0.60 C ATOM 672 CG PHE A 156 -9.670 2.230 3.951 1.00 0.59 C ATOM 673 CD1 PHE A 156 -9.903 1.736 2.677 1.00 0.56 C ATOM 674 CD2 PHE A 156 -10.711 2.241 4.859 1.00 0.77 C ATOM 675 CE1 PHE A 156 -11.148 1.262 2.318 1.00 0.65 C ATOM 676 CE2 PHE A 156 -11.961 1.769 4.505 1.00 0.82 C ATOM 677 CZ PHE A 156 -12.197 1.301 3.273 1.00 0.72 C ATOM 0 H PHE A 156 -6.240 4.016 4.900 1.00 0.44 H new ATOM 0 HA PHE A 156 -7.940 3.866 2.535 1.00 0.49 H new ATOM 0 HB2 PHE A 156 -7.573 1.959 4.125 1.00 0.60 H new ATOM 0 HB3 PHE A 156 -8.287 2.920 5.405 1.00 0.60 H new ATOM 0 HD1 PHE A 156 -9.099 1.722 1.956 1.00 0.56 H new ATOM 0 HD2 PHE A 156 -10.546 2.622 5.856 1.00 0.77 H new ATOM 0 HE1 PHE A 156 -11.321 0.868 1.327 1.00 0.65 H new ATOM 0 HE2 PHE A 156 -12.759 1.778 5.233 1.00 0.82 H new ATOM 0 HZ PHE A 156 -13.184 0.954 3.006 1.00 0.72 H new ATOM 687 N ALA A 157 -9.956 5.265 3.379 1.00 0.57 N ATOM 688 CA ALA A 157 -10.913 6.326 3.686 1.00 0.65 C ATOM 689 C ALA A 157 -11.285 6.343 5.172 1.00 0.77 C ATOM 690 O ALA A 157 -11.606 7.393 5.731 1.00 0.95 O ATOM 691 CB ALA A 157 -12.160 6.167 2.841 1.00 0.71 C ATOM 0 H ALA A 157 -10.257 4.629 2.641 1.00 0.57 H new ATOM 0 HA ALA A 157 -10.436 7.277 3.451 1.00 0.65 H new ATOM 0 HB1 ALA A 157 -12.865 6.963 3.079 1.00 0.71 H new ATOM 0 HB2 ALA A 157 -11.894 6.222 1.785 1.00 0.71 H new ATOM 0 HB3 ALA A 157 -12.620 5.201 3.049 1.00 0.71 H new ATOM 697 N GLY A 158 -11.236 5.176 5.805 1.00 0.76 N ATOM 698 CA GLY A 158 -11.506 5.082 7.227 1.00 0.94 C ATOM 699 C GLY A 158 -10.236 5.143 8.054 1.00 0.91 C ATOM 700 O GLY A 158 -9.543 6.163 8.065 1.00 1.81 O ATOM 0 H GLY A 158 -11.013 4.288 5.355 1.00 0.76 H new ATOM 0 HA2 GLY A 158 -12.171 5.893 7.524 1.00 0.94 H new ATOM 0 HA3 GLY A 158 -12.029 4.149 7.435 1.00 0.94 H new ATOM 704 N GLY A 159 -9.918 4.049 8.738 1.00 0.72 N ATOM 705 CA GLY A 159 -8.719 4.010 9.556 1.00 0.81 C ATOM 706 C GLY A 159 -7.833 2.825 9.226 1.00 0.60 C ATOM 707 O GLY A 159 -7.142 2.289 10.092 1.00 0.78 O ATOM 0 H GLY A 159 -10.468 3.190 8.741 1.00 0.72 H new ATOM 0 HA2 GLY A 159 -8.156 4.932 9.414 1.00 0.81 H new ATOM 0 HA3 GLY A 159 -9.001 3.967 10.608 1.00 0.81 H new ATOM 711 N GLN A 160 -7.871 2.413 7.972 1.00 0.50 N ATOM 712 CA GLN A 160 -7.111 1.305 7.483 1.00 0.47 C ATOM 713 C GLN A 160 -5.905 1.822 6.702 1.00 0.40 C ATOM 714 O GLN A 160 -5.907 1.942 5.481 1.00 0.56 O ATOM 715 CB GLN A 160 -8.068 0.495 6.666 1.00 0.71 C ATOM 716 CG GLN A 160 -7.449 -0.582 5.850 1.00 0.64 C ATOM 717 CD GLN A 160 -8.504 -1.314 5.048 1.00 1.08 C ATOM 718 OE1 GLN A 160 -8.802 -0.960 3.914 1.00 1.43 O ATOM 719 NE2 GLN A 160 -9.099 -2.324 5.652 1.00 2.02 N ATOM 0 H GLN A 160 -8.448 2.858 7.258 1.00 0.50 H new ATOM 0 HA GLN A 160 -6.692 0.676 8.269 1.00 0.47 H new ATOM 0 HB2 GLN A 160 -8.802 0.046 7.335 1.00 0.71 H new ATOM 0 HB3 GLN A 160 -8.611 1.166 6.001 1.00 0.71 H new ATOM 0 HG2 GLN A 160 -6.705 -0.155 5.178 1.00 0.64 H new ATOM 0 HG3 GLN A 160 -6.926 -1.284 6.500 1.00 0.64 H new ATOM 0 HE21 GLN A 160 -8.822 -2.588 6.597 1.00 2.02 H new ATOM 0 HE22 GLN A 160 -9.836 -2.841 5.174 1.00 2.02 H new ATOM 728 N GLN A 161 -4.867 2.123 7.440 1.00 0.38 N ATOM 729 CA GLN A 161 -3.736 2.847 6.930 1.00 0.34 C ATOM 730 C GLN A 161 -2.437 2.145 7.318 1.00 0.39 C ATOM 731 O GLN A 161 -2.236 1.725 8.460 1.00 0.46 O ATOM 732 CB GLN A 161 -3.806 4.294 7.420 1.00 0.35 C ATOM 733 CG GLN A 161 -2.465 5.017 7.440 1.00 1.08 C ATOM 734 CD GLN A 161 -2.557 6.410 8.028 1.00 1.12 C ATOM 735 OE1 GLN A 161 -2.752 7.404 7.178 1.00 1.77 O flip ATOM 736 NE2 GLN A 161 -2.437 6.593 9.238 1.00 1.46 N flip ATOM 0 H GLN A 161 -4.785 1.868 8.424 1.00 0.38 H new ATOM 0 HA GLN A 161 -3.757 2.868 5.840 1.00 0.34 H new ATOM 0 HB2 GLN A 161 -4.494 4.848 6.782 1.00 0.35 H new ATOM 0 HB3 GLN A 161 -4.226 4.304 8.426 1.00 0.35 H new ATOM 0 HG2 GLN A 161 -1.750 4.431 8.017 1.00 1.08 H new ATOM 0 HG3 GLN A 161 -2.077 5.082 6.423 1.00 1.08 H new ATOM 0 HE21 GLN A 161 -2.288 5.800 9.861 1.00 1.46 H new ATOM 0 HE22 GLN A 161 -2.487 7.538 9.618 1.00 1.46 H new ATOM 745 N TRP A 162 -1.580 2.037 6.328 1.00 0.39 N ATOM 746 CA TRP A 162 -0.424 1.163 6.320 1.00 0.47 C ATOM 747 C TRP A 162 0.685 1.929 5.659 1.00 0.50 C ATOM 748 O TRP A 162 0.461 3.040 5.220 1.00 0.47 O ATOM 749 CB TRP A 162 -0.724 -0.120 5.553 1.00 0.50 C ATOM 750 CG TRP A 162 -2.143 -0.620 5.780 1.00 0.47 C ATOM 751 CD1 TRP A 162 -3.301 -0.152 5.190 1.00 0.43 C ATOM 752 CD2 TRP A 162 -2.561 -1.657 6.683 1.00 0.53 C ATOM 753 NE1 TRP A 162 -4.389 -0.817 5.694 1.00 0.47 N ATOM 754 CE2 TRP A 162 -3.964 -1.753 6.595 1.00 0.52 C ATOM 755 CE3 TRP A 162 -1.890 -2.512 7.555 1.00 0.62 C ATOM 756 CZ2 TRP A 162 -4.701 -2.667 7.348 1.00 0.60 C ATOM 757 CZ3 TRP A 162 -2.621 -3.420 8.300 1.00 0.68 C ATOM 758 CH2 TRP A 162 -4.014 -3.490 8.191 1.00 0.67 C ATOM 0 H TRP A 162 -1.672 2.578 5.468 1.00 0.39 H new ATOM 0 HA TRP A 162 -0.148 0.869 7.333 1.00 0.47 H new ATOM 0 HB2 TRP A 162 -0.570 0.053 4.488 1.00 0.50 H new ATOM 0 HB3 TRP A 162 -0.018 -0.893 5.855 1.00 0.50 H new ATOM 0 HD1 TRP A 162 -3.343 0.625 4.441 1.00 0.43 H new ATOM 0 HE1 TRP A 162 -5.360 -0.641 5.438 1.00 0.47 H new ATOM 0 HE3 TRP A 162 -0.815 -2.466 7.648 1.00 0.62 H new ATOM 0 HZ2 TRP A 162 -5.777 -2.721 7.266 1.00 0.60 H new ATOM 0 HZ3 TRP A 162 -2.108 -4.086 8.977 1.00 0.68 H new ATOM 0 HH2 TRP A 162 -4.556 -4.210 8.786 1.00 0.67 H new ATOM 769 N GLY A 163 1.879 1.418 5.664 1.00 0.58 N ATOM 770 CA GLY A 163 2.937 2.150 5.035 1.00 0.63 C ATOM 771 C GLY A 163 4.253 1.421 5.070 1.00 0.62 C ATOM 772 O GLY A 163 4.303 0.206 5.243 1.00 0.63 O ATOM 0 H GLY A 163 2.141 0.525 6.082 1.00 0.58 H new ATOM 0 HA2 GLY A 163 2.666 2.352 3.999 1.00 0.63 H new ATOM 0 HA3 GLY A 163 3.048 3.115 5.529 1.00 0.63 H new ATOM 776 N GLY A 164 5.312 2.170 4.896 1.00 0.66 N ATOM 777 CA GLY A 164 6.644 1.625 4.983 1.00 0.66 C ATOM 778 C GLY A 164 7.655 2.711 5.215 1.00 0.63 C ATOM 779 O GLY A 164 7.369 3.884 4.997 1.00 0.69 O ATOM 0 H GLY A 164 5.277 3.169 4.691 1.00 0.66 H new ATOM 0 HA2 GLY A 164 6.692 0.899 5.795 1.00 0.66 H new ATOM 0 HA3 GLY A 164 6.883 1.091 4.063 1.00 0.66 H new ATOM 783 N VAL A 165 8.825 2.333 5.676 1.00 0.61 N ATOM 784 CA VAL A 165 9.823 3.288 6.028 1.00 0.59 C ATOM 785 C VAL A 165 11.172 2.810 5.503 1.00 0.60 C ATOM 786 O VAL A 165 11.525 1.634 5.625 1.00 0.78 O ATOM 787 CB VAL A 165 9.843 3.535 7.558 1.00 0.73 C ATOM 788 CG1 VAL A 165 10.562 2.419 8.305 1.00 0.96 C ATOM 789 CG2 VAL A 165 10.458 4.889 7.877 1.00 0.88 C ATOM 0 H VAL A 165 9.100 1.360 5.813 1.00 0.61 H new ATOM 0 HA VAL A 165 9.593 4.248 5.567 1.00 0.59 H new ATOM 0 HB VAL A 165 8.809 3.537 7.902 1.00 0.73 H new ATOM 0 HG11 VAL A 165 10.553 2.632 9.374 1.00 0.96 H new ATOM 0 HG12 VAL A 165 10.056 1.472 8.119 1.00 0.96 H new ATOM 0 HG13 VAL A 165 11.593 2.354 7.957 1.00 0.96 H new ATOM 0 HG21 VAL A 165 10.462 5.042 8.956 1.00 0.88 H new ATOM 0 HG22 VAL A 165 11.481 4.921 7.502 1.00 0.88 H new ATOM 0 HG23 VAL A 165 9.872 5.676 7.401 1.00 0.88 H new ATOM 799 N PHE A 166 11.873 3.705 4.861 1.00 0.55 N ATOM 800 CA PHE A 166 13.124 3.423 4.227 1.00 0.61 C ATOM 801 C PHE A 166 14.151 4.418 4.725 1.00 0.61 C ATOM 802 O PHE A 166 13.815 5.464 5.279 1.00 0.84 O ATOM 803 CB PHE A 166 12.943 3.547 2.715 1.00 1.00 C ATOM 804 CG PHE A 166 11.865 2.658 2.170 1.00 1.66 C ATOM 805 CD1 PHE A 166 12.077 1.294 2.051 1.00 1.99 C ATOM 806 CD2 PHE A 166 10.652 3.183 1.764 1.00 2.17 C ATOM 807 CE1 PHE A 166 11.097 0.471 1.536 1.00 2.71 C ATOM 808 CE2 PHE A 166 9.668 2.363 1.249 1.00 2.96 C ATOM 809 CZ PHE A 166 9.850 1.022 1.192 1.00 3.19 C ATOM 0 H PHE A 166 11.578 4.677 4.764 1.00 0.55 H new ATOM 0 HA PHE A 166 13.463 2.414 4.462 1.00 0.61 H new ATOM 0 HB2 PHE A 166 12.709 4.583 2.468 1.00 1.00 H new ATOM 0 HB3 PHE A 166 13.885 3.307 2.223 1.00 1.00 H new ATOM 0 HD1 PHE A 166 13.020 0.871 2.365 1.00 1.99 H new ATOM 0 HD2 PHE A 166 10.473 4.244 1.851 1.00 2.17 H new ATOM 0 HE1 PHE A 166 11.285 -0.584 1.399 1.00 2.71 H new ATOM 0 HE2 PHE A 166 8.746 2.794 0.889 1.00 2.96 H new ATOM 0 HZ PHE A 166 9.040 0.378 0.883 1.00 3.19 H new ATOM 819 N TYR A 167 15.395 4.086 4.562 1.00 0.74 N ATOM 820 CA TYR A 167 16.464 4.988 4.939 1.00 1.06 C ATOM 821 C TYR A 167 16.969 5.754 3.751 1.00 0.98 C ATOM 822 O TYR A 167 17.699 6.731 3.902 1.00 1.22 O ATOM 823 CB TYR A 167 17.612 4.252 5.631 1.00 1.45 C ATOM 824 CG TYR A 167 18.411 3.334 4.726 1.00 2.10 C ATOM 825 CD1 TYR A 167 17.836 2.182 4.201 1.00 2.48 C ATOM 826 CD2 TYR A 167 19.729 3.616 4.393 1.00 2.87 C ATOM 827 CE1 TYR A 167 18.554 1.339 3.375 1.00 3.52 C ATOM 828 CE2 TYR A 167 20.453 2.778 3.567 1.00 3.88 C ATOM 829 CZ TYR A 167 19.893 1.659 3.072 1.00 4.19 C ATOM 830 OH TYR A 167 20.580 0.804 2.238 1.00 5.30 O ATOM 0 H TYR A 167 15.706 3.197 4.170 1.00 0.74 H new ATOM 0 HA TYR A 167 16.047 5.697 5.654 1.00 1.06 H new ATOM 0 HB2 TYR A 167 18.287 4.988 6.067 1.00 1.45 H new ATOM 0 HB3 TYR A 167 17.206 3.665 6.454 1.00 1.45 H new ATOM 0 HD1 TYR A 167 16.811 1.942 4.443 1.00 2.48 H new ATOM 0 HD2 TYR A 167 20.197 4.506 4.787 1.00 2.87 H new ATOM 0 HE1 TYR A 167 18.097 0.449 2.968 1.00 3.52 H new ATOM 0 HE2 TYR A 167 21.475 3.023 3.317 1.00 3.88 H new ATOM 0 HH TYR A 167 21.492 1.138 2.107 1.00 5.30 H new ATOM 840 N ALA A 168 16.583 5.325 2.569 1.00 0.72 N ATOM 841 CA ALA A 168 17.226 5.821 1.394 1.00 0.72 C ATOM 842 C ALA A 168 16.406 5.609 0.147 1.00 0.54 C ATOM 843 O ALA A 168 15.408 4.885 0.131 1.00 0.67 O ATOM 844 CB ALA A 168 18.585 5.157 1.235 1.00 1.03 C ATOM 0 H ALA A 168 15.840 4.646 2.407 1.00 0.72 H new ATOM 0 HA ALA A 168 17.343 6.897 1.521 1.00 0.72 H new ATOM 0 HB1 ALA A 168 19.073 5.537 0.338 1.00 1.03 H new ATOM 0 HB2 ALA A 168 19.202 5.379 2.106 1.00 1.03 H new ATOM 0 HB3 ALA A 168 18.455 4.078 1.148 1.00 1.03 H new ATOM 850 N GLU A 169 16.874 6.306 -0.862 1.00 0.55 N ATOM 851 CA GLU A 169 16.569 6.099 -2.300 1.00 0.73 C ATOM 852 C GLU A 169 15.132 6.337 -2.698 1.00 0.54 C ATOM 853 O GLU A 169 14.830 7.317 -3.374 1.00 0.78 O ATOM 854 CB GLU A 169 17.005 4.711 -2.836 1.00 1.19 C ATOM 855 CG GLU A 169 17.121 3.592 -1.812 1.00 1.40 C ATOM 856 CD GLU A 169 17.845 2.374 -2.347 1.00 1.80 C ATOM 857 OE1 GLU A 169 19.095 2.365 -2.344 1.00 2.18 O ATOM 858 OE2 GLU A 169 17.171 1.417 -2.782 1.00 2.02 O ATOM 0 H GLU A 169 17.518 7.084 -0.716 1.00 0.55 H new ATOM 0 HA GLU A 169 17.173 6.877 -2.767 1.00 0.73 H new ATOM 0 HB2 GLU A 169 16.292 4.401 -3.600 1.00 1.19 H new ATOM 0 HB3 GLU A 169 17.971 4.824 -3.328 1.00 1.19 H new ATOM 0 HG2 GLU A 169 17.648 3.964 -0.933 1.00 1.40 H new ATOM 0 HG3 GLU A 169 16.123 3.300 -1.486 1.00 1.40 H new ATOM 865 N ILE A 170 14.285 5.449 -2.240 1.00 0.56 N ATOM 866 CA ILE A 170 12.974 5.184 -2.831 1.00 0.54 C ATOM 867 C ILE A 170 12.236 6.429 -3.359 1.00 0.55 C ATOM 868 O ILE A 170 11.527 7.114 -2.651 1.00 0.65 O ATOM 869 CB ILE A 170 12.098 4.364 -1.842 1.00 0.67 C ATOM 870 CG1 ILE A 170 12.299 2.875 -2.079 1.00 0.97 C ATOM 871 CG2 ILE A 170 10.624 4.699 -1.921 1.00 0.83 C ATOM 872 CD1 ILE A 170 13.477 2.309 -1.339 1.00 1.07 C ATOM 0 H ILE A 170 14.483 4.869 -1.425 1.00 0.56 H new ATOM 0 HA ILE A 170 13.161 4.591 -3.726 1.00 0.54 H new ATOM 0 HB ILE A 170 12.428 4.637 -0.840 1.00 0.67 H new ATOM 0 HG12 ILE A 170 11.398 2.341 -1.776 1.00 0.97 H new ATOM 0 HG13 ILE A 170 12.431 2.699 -3.147 1.00 0.97 H new ATOM 0 HG21 ILE A 170 10.073 4.090 -1.204 1.00 0.83 H new ATOM 0 HG22 ILE A 170 10.478 5.754 -1.689 1.00 0.83 H new ATOM 0 HG23 ILE A 170 10.258 4.495 -2.927 1.00 0.83 H new ATOM 0 HD11 ILE A 170 13.563 1.244 -1.552 1.00 1.07 H new ATOM 0 HD12 ILE A 170 14.386 2.818 -1.659 1.00 1.07 H new ATOM 0 HD13 ILE A 170 13.338 2.455 -0.268 1.00 1.07 H new ATOM 884 N LYS A 171 12.438 6.729 -4.627 1.00 0.67 N ATOM 885 CA LYS A 171 11.557 7.658 -5.328 1.00 0.79 C ATOM 886 C LYS A 171 11.053 6.987 -6.579 1.00 0.84 C ATOM 887 O LYS A 171 10.159 7.474 -7.269 1.00 0.92 O ATOM 888 CB LYS A 171 12.321 8.916 -5.715 1.00 1.11 C ATOM 889 CG LYS A 171 13.797 8.653 -5.911 1.00 1.14 C ATOM 890 CD LYS A 171 14.572 9.923 -6.221 1.00 1.48 C ATOM 891 CE LYS A 171 16.069 9.688 -6.126 1.00 1.91 C ATOM 892 NZ LYS A 171 16.459 9.198 -4.779 1.00 2.68 N ATOM 0 H LYS A 171 13.196 6.350 -5.194 1.00 0.67 H new ATOM 0 HA LYS A 171 10.727 7.933 -4.677 1.00 0.79 H new ATOM 0 HB2 LYS A 171 11.902 9.325 -6.634 1.00 1.11 H new ATOM 0 HB3 LYS A 171 12.188 9.672 -4.941 1.00 1.11 H new ATOM 0 HG2 LYS A 171 14.204 8.192 -5.011 1.00 1.14 H new ATOM 0 HG3 LYS A 171 13.932 7.940 -6.724 1.00 1.14 H new ATOM 0 HD2 LYS A 171 14.319 10.272 -7.222 1.00 1.48 H new ATOM 0 HD3 LYS A 171 14.280 10.710 -5.526 1.00 1.48 H new ATOM 0 HE2 LYS A 171 16.373 8.962 -6.880 1.00 1.91 H new ATOM 0 HE3 LYS A 171 16.598 10.615 -6.344 1.00 1.91 H new ATOM 0 HZ1 LYS A 171 17.495 9.209 -4.692 1.00 2.68 H new ATOM 0 HZ2 LYS A 171 16.044 9.815 -4.052 1.00 2.68 H new ATOM 0 HZ3 LYS A 171 16.111 8.227 -4.649 1.00 2.68 H new ATOM 906 N SER A 172 11.643 5.853 -6.843 1.00 0.92 N ATOM 907 CA SER A 172 11.142 4.909 -7.791 1.00 1.13 C ATOM 908 C SER A 172 9.964 4.146 -7.204 1.00 1.05 C ATOM 909 O SER A 172 8.972 3.882 -7.871 1.00 1.12 O ATOM 910 CB SER A 172 12.297 4.031 -8.211 1.00 1.45 C ATOM 911 OG SER A 172 11.867 2.838 -8.847 1.00 1.86 O ATOM 0 H SER A 172 12.508 5.557 -6.390 1.00 0.92 H new ATOM 0 HA SER A 172 10.748 5.397 -8.683 1.00 1.13 H new ATOM 0 HB2 SER A 172 12.945 4.587 -8.888 1.00 1.45 H new ATOM 0 HB3 SER A 172 12.894 3.777 -7.335 1.00 1.45 H new ATOM 0 HG SER A 172 12.648 2.303 -9.102 1.00 1.86 H new ATOM 917 N SER A 173 10.105 3.785 -5.939 1.00 1.00 N ATOM 918 CA SER A 173 9.015 3.230 -5.163 1.00 1.09 C ATOM 919 C SER A 173 8.086 4.348 -4.724 1.00 0.94 C ATOM 920 O SER A 173 7.001 4.105 -4.221 1.00 1.14 O ATOM 921 CB SER A 173 9.531 2.429 -3.974 1.00 1.24 C ATOM 922 OG SER A 173 10.190 1.249 -4.403 1.00 1.47 O ATOM 0 H SER A 173 10.981 3.870 -5.423 1.00 1.00 H new ATOM 0 HA SER A 173 8.454 2.535 -5.788 1.00 1.09 H new ATOM 0 HB2 SER A 173 10.218 3.041 -3.389 1.00 1.24 H new ATOM 0 HB3 SER A 173 8.700 2.168 -3.319 1.00 1.24 H new ATOM 0 HG SER A 173 9.528 0.605 -4.730 1.00 1.47 H new ATOM 928 N CYS A 174 8.506 5.588 -4.968 1.00 0.76 N ATOM 929 CA CYS A 174 7.633 6.726 -4.739 1.00 0.85 C ATOM 930 C CYS A 174 6.635 6.745 -5.849 1.00 0.73 C ATOM 931 O CYS A 174 5.613 7.427 -5.787 1.00 0.88 O ATOM 932 CB CYS A 174 8.381 8.046 -4.793 1.00 1.09 C ATOM 933 SG CYS A 174 9.126 8.578 -3.244 1.00 1.63 S ATOM 0 H CYS A 174 9.434 5.824 -5.320 1.00 0.76 H new ATOM 0 HA CYS A 174 7.185 6.622 -3.751 1.00 0.85 H new ATOM 0 HB2 CYS A 174 9.166 7.968 -5.546 1.00 1.09 H new ATOM 0 HB3 CYS A 174 7.692 8.821 -5.130 1.00 1.09 H new ATOM 0 HG CYS A 174 10.002 7.698 -2.859 1.00 1.63 H new ATOM 939 N ALA A 175 6.953 5.986 -6.875 1.00 0.63 N ATOM 940 CA ALA A 175 6.042 5.815 -7.943 1.00 0.66 C ATOM 941 C ALA A 175 4.964 4.841 -7.484 1.00 0.59 C ATOM 942 O ALA A 175 5.267 3.704 -7.148 1.00 0.65 O ATOM 943 CB ALA A 175 6.764 5.310 -9.175 1.00 0.80 C ATOM 0 H ALA A 175 7.837 5.487 -6.976 1.00 0.63 H new ATOM 0 HA ALA A 175 5.581 6.765 -8.214 1.00 0.66 H new ATOM 0 HB1 ALA A 175 6.050 5.183 -9.989 1.00 0.80 H new ATOM 0 HB2 ALA A 175 7.527 6.030 -9.471 1.00 0.80 H new ATOM 0 HB3 ALA A 175 7.236 4.353 -8.954 1.00 0.80 H new ATOM 949 N LYS A 176 3.725 5.294 -7.427 1.00 0.60 N ATOM 950 CA LYS A 176 2.638 4.469 -6.921 1.00 0.59 C ATOM 951 C LYS A 176 1.370 4.664 -7.720 1.00 0.53 C ATOM 952 O LYS A 176 1.054 5.777 -8.142 1.00 0.66 O ATOM 953 CB LYS A 176 2.356 4.766 -5.451 1.00 0.83 C ATOM 954 CG LYS A 176 2.990 6.053 -4.956 1.00 0.84 C ATOM 955 CD LYS A 176 2.023 6.862 -4.114 1.00 1.59 C ATOM 956 CE LYS A 176 2.539 8.273 -3.880 1.00 2.27 C ATOM 957 NZ LYS A 176 2.777 8.990 -5.161 1.00 2.95 N ATOM 0 H LYS A 176 3.444 6.228 -7.724 1.00 0.60 H new ATOM 0 HA LYS A 176 2.960 3.433 -7.022 1.00 0.59 H new ATOM 0 HB2 LYS A 176 1.278 4.821 -5.301 1.00 0.83 H new ATOM 0 HB3 LYS A 176 2.720 3.936 -4.845 1.00 0.83 H new ATOM 0 HG2 LYS A 176 3.878 5.820 -4.369 1.00 0.84 H new ATOM 0 HG3 LYS A 176 3.319 6.649 -5.808 1.00 0.84 H new ATOM 0 HD2 LYS A 176 1.054 6.905 -4.610 1.00 1.59 H new ATOM 0 HD3 LYS A 176 1.869 6.366 -3.156 1.00 1.59 H new ATOM 0 HE2 LYS A 176 1.819 8.829 -3.280 1.00 2.27 H new ATOM 0 HE3 LYS A 176 3.466 8.232 -3.308 1.00 2.27 H new ATOM 0 HZ1 LYS A 176 2.762 10.016 -4.993 1.00 2.95 H new ATOM 0 HZ2 LYS A 176 3.704 8.716 -5.545 1.00 2.95 H new ATOM 0 HZ3 LYS A 176 2.032 8.740 -5.842 1.00 2.95 H new ATOM 971 N VAL A 177 0.648 3.585 -7.932 1.00 0.43 N ATOM 972 CA VAL A 177 -0.671 3.679 -8.539 1.00 0.41 C ATOM 973 C VAL A 177 -1.708 2.990 -7.691 1.00 0.37 C ATOM 974 O VAL A 177 -1.457 1.924 -7.146 1.00 0.41 O ATOM 975 CB VAL A 177 -0.722 3.104 -9.967 1.00 0.49 C ATOM 976 CG1 VAL A 177 -2.089 3.350 -10.582 1.00 0.68 C ATOM 977 CG2 VAL A 177 0.372 3.698 -10.841 1.00 0.77 C ATOM 0 H VAL A 177 0.945 2.638 -7.697 1.00 0.43 H new ATOM 0 HA VAL A 177 -0.891 4.745 -8.602 1.00 0.41 H new ATOM 0 HB VAL A 177 -0.551 2.029 -9.906 1.00 0.49 H new ATOM 0 HG11 VAL A 177 -2.113 2.939 -11.591 1.00 0.68 H new ATOM 0 HG12 VAL A 177 -2.854 2.866 -9.975 1.00 0.68 H new ATOM 0 HG13 VAL A 177 -2.282 4.422 -10.622 1.00 0.68 H new ATOM 0 HG21 VAL A 177 0.309 3.272 -11.842 1.00 0.77 H new ATOM 0 HG22 VAL A 177 0.245 4.779 -10.898 1.00 0.77 H new ATOM 0 HG23 VAL A 177 1.347 3.469 -10.410 1.00 0.77 H new ATOM 987 N GLN A 178 -2.870 3.605 -7.573 1.00 0.38 N ATOM 988 CA GLN A 178 -3.956 2.974 -6.881 1.00 0.37 C ATOM 989 C GLN A 178 -5.241 2.998 -7.685 1.00 0.33 C ATOM 990 O GLN A 178 -5.521 3.932 -8.433 1.00 0.40 O ATOM 991 CB GLN A 178 -4.130 3.552 -5.480 1.00 0.48 C ATOM 992 CG GLN A 178 -5.493 3.308 -4.858 1.00 0.64 C ATOM 993 CD GLN A 178 -6.430 4.483 -5.049 1.00 1.70 C ATOM 994 OE1 GLN A 178 -5.984 5.622 -5.169 1.00 2.52 O ATOM 995 NE2 GLN A 178 -7.726 4.223 -5.050 1.00 2.30 N ATOM 0 H GLN A 178 -3.076 4.532 -7.946 1.00 0.38 H new ATOM 0 HA GLN A 178 -3.698 1.922 -6.762 1.00 0.37 H new ATOM 0 HB2 GLN A 178 -3.367 3.126 -4.829 1.00 0.48 H new ATOM 0 HB3 GLN A 178 -3.951 4.626 -5.520 1.00 0.48 H new ATOM 0 HG2 GLN A 178 -5.937 2.416 -5.300 1.00 0.64 H new ATOM 0 HG3 GLN A 178 -5.374 3.110 -3.793 1.00 0.64 H new ATOM 0 HE21 GLN A 178 -8.054 3.262 -4.948 1.00 2.30 H new ATOM 0 HE22 GLN A 178 -8.399 4.983 -5.153 1.00 2.30 H new ATOM 1004 N THR A 179 -5.981 1.917 -7.548 1.00 0.32 N ATOM 1005 CA THR A 179 -7.233 1.731 -8.238 1.00 0.32 C ATOM 1006 C THR A 179 -8.408 1.922 -7.294 1.00 0.31 C ATOM 1007 O THR A 179 -8.421 1.357 -6.201 1.00 0.30 O ATOM 1008 CB THR A 179 -7.308 0.306 -8.811 1.00 0.33 C ATOM 1009 OG1 THR A 179 -6.102 0.007 -9.527 1.00 0.36 O ATOM 1010 CG2 THR A 179 -8.506 0.147 -9.738 1.00 0.42 C ATOM 0 H THR A 179 -5.723 1.135 -6.946 1.00 0.32 H new ATOM 0 HA THR A 179 -7.284 2.470 -9.038 1.00 0.32 H new ATOM 0 HB THR A 179 -7.425 -0.388 -7.979 1.00 0.33 H new ATOM 0 HG1 THR A 179 -5.770 -0.874 -9.255 1.00 0.36 H new ATOM 0 HG21 THR A 179 -8.532 -0.871 -10.127 1.00 0.42 H new ATOM 0 HG22 THR A 179 -9.423 0.348 -9.185 1.00 0.42 H new ATOM 0 HG23 THR A 179 -8.421 0.850 -10.566 1.00 0.42 H new ATOM 1018 N ARG A 180 -9.364 2.739 -7.700 1.00 0.38 N ATOM 1019 CA ARG A 180 -10.666 2.747 -7.078 1.00 0.44 C ATOM 1020 C ARG A 180 -11.704 2.659 -8.180 1.00 0.55 C ATOM 1021 O ARG A 180 -11.443 3.081 -9.308 1.00 0.64 O ATOM 1022 CB ARG A 180 -10.890 3.999 -6.232 1.00 0.60 C ATOM 1023 CG ARG A 180 -11.273 5.236 -7.029 1.00 0.95 C ATOM 1024 CD ARG A 180 -10.121 6.208 -7.178 1.00 1.44 C ATOM 1025 NE ARG A 180 -9.261 5.905 -8.321 1.00 1.98 N ATOM 1026 CZ ARG A 180 -7.989 6.288 -8.403 1.00 2.68 C ATOM 1027 NH1 ARG A 180 -7.401 6.876 -7.368 1.00 3.12 N ATOM 1028 NH2 ARG A 180 -7.300 6.060 -9.514 1.00 3.41 N ATOM 0 H ARG A 180 -9.257 3.407 -8.463 1.00 0.38 H new ATOM 0 HA ARG A 180 -10.746 1.898 -6.400 1.00 0.44 H new ATOM 0 HB2 ARG A 180 -11.674 3.794 -5.503 1.00 0.60 H new ATOM 0 HB3 ARG A 180 -9.980 4.211 -5.671 1.00 0.60 H new ATOM 0 HG2 ARG A 180 -11.620 4.935 -8.017 1.00 0.95 H new ATOM 0 HG3 ARG A 180 -12.107 5.738 -6.537 1.00 0.95 H new ATOM 0 HD2 ARG A 180 -10.517 7.218 -7.286 1.00 1.44 H new ATOM 0 HD3 ARG A 180 -9.523 6.196 -6.267 1.00 1.44 H new ATOM 0 HE ARG A 180 -9.656 5.372 -9.096 1.00 1.98 H new ATOM 0 HH11 ARG A 180 -7.924 7.035 -6.507 1.00 3.12 H new ATOM 0 HH12 ARG A 180 -6.426 7.168 -7.434 1.00 3.12 H new ATOM 0 HH21 ARG A 180 -7.745 5.592 -10.303 1.00 3.41 H new ATOM 0 HH22 ARG A 180 -6.325 6.353 -9.579 1.00 3.41 H new ATOM 1042 N LYS A 181 -12.864 2.115 -7.860 1.00 0.61 N ATOM 1043 CA LYS A 181 -13.879 1.833 -8.868 1.00 0.75 C ATOM 1044 C LYS A 181 -15.095 1.210 -8.216 1.00 0.71 C ATOM 1045 O LYS A 181 -16.205 1.275 -8.737 1.00 0.89 O ATOM 1046 CB LYS A 181 -13.324 0.856 -9.908 1.00 0.91 C ATOM 1047 CG LYS A 181 -13.046 -0.526 -9.335 1.00 0.92 C ATOM 1048 CD LYS A 181 -12.150 -1.342 -10.253 1.00 1.36 C ATOM 1049 CE LYS A 181 -11.806 -2.685 -9.636 1.00 1.64 C ATOM 1050 NZ LYS A 181 -11.013 -3.534 -10.560 1.00 2.13 N ATOM 0 H LYS A 181 -13.130 1.858 -6.910 1.00 0.61 H new ATOM 0 HA LYS A 181 -14.158 2.769 -9.352 1.00 0.75 H new ATOM 0 HB2 LYS A 181 -14.034 0.767 -10.730 1.00 0.91 H new ATOM 0 HB3 LYS A 181 -12.403 1.263 -10.325 1.00 0.91 H new ATOM 0 HG2 LYS A 181 -12.573 -0.427 -8.358 1.00 0.92 H new ATOM 0 HG3 LYS A 181 -13.988 -1.053 -9.182 1.00 0.92 H new ATOM 0 HD2 LYS A 181 -12.649 -1.496 -11.210 1.00 1.36 H new ATOM 0 HD3 LYS A 181 -11.234 -0.788 -10.457 1.00 1.36 H new ATOM 0 HE2 LYS A 181 -11.244 -2.528 -8.715 1.00 1.64 H new ATOM 0 HE3 LYS A 181 -12.724 -3.205 -9.364 1.00 1.64 H new ATOM 0 HZ1 LYS A 181 -10.799 -4.442 -10.100 1.00 2.13 H new ATOM 0 HZ2 LYS A 181 -11.559 -3.706 -11.428 1.00 2.13 H new ATOM 0 HZ3 LYS A 181 -10.124 -3.050 -10.800 1.00 2.13 H new ATOM 1064 N GLY A 182 -14.862 0.599 -7.070 1.00 0.64 N ATOM 1065 CA GLY A 182 -15.884 -0.173 -6.427 1.00 0.73 C ATOM 1066 C GLY A 182 -15.505 -0.553 -5.022 1.00 0.65 C ATOM 1067 O GLY A 182 -15.383 0.298 -4.147 1.00 0.78 O ATOM 0 H GLY A 182 -13.972 0.628 -6.573 1.00 0.64 H new ATOM 0 HA2 GLY A 182 -16.812 0.398 -6.410 1.00 0.73 H new ATOM 0 HA3 GLY A 182 -16.075 -1.076 -7.007 1.00 0.73 H new ATOM 1071 N SER A 183 -15.296 -1.837 -4.827 1.00 0.61 N ATOM 1072 CA SER A 183 -14.954 -2.378 -3.524 1.00 0.70 C ATOM 1073 C SER A 183 -13.465 -2.709 -3.441 1.00 0.66 C ATOM 1074 O SER A 183 -13.036 -3.428 -2.544 1.00 0.81 O ATOM 1075 CB SER A 183 -15.782 -3.632 -3.248 1.00 0.88 C ATOM 1076 OG SER A 183 -17.170 -3.373 -3.384 1.00 1.60 O ATOM 0 H SER A 183 -15.358 -2.538 -5.566 1.00 0.61 H new ATOM 0 HA SER A 183 -15.178 -1.622 -2.771 1.00 0.70 H new ATOM 0 HB2 SER A 183 -15.488 -4.423 -3.938 1.00 0.88 H new ATOM 0 HB3 SER A 183 -15.574 -3.993 -2.241 1.00 0.88 H new ATOM 0 HG SER A 183 -17.675 -4.193 -3.203 1.00 1.60 H new ATOM 1082 N LEU A 184 -12.683 -2.209 -4.389 1.00 0.53 N ATOM 1083 CA LEU A 184 -11.271 -2.565 -4.455 1.00 0.51 C ATOM 1084 C LEU A 184 -10.379 -1.326 -4.553 1.00 0.39 C ATOM 1085 O LEU A 184 -10.520 -0.511 -5.468 1.00 0.43 O ATOM 1086 CB LEU A 184 -11.031 -3.511 -5.643 1.00 0.68 C ATOM 1087 CG LEU A 184 -9.607 -4.064 -5.782 1.00 1.14 C ATOM 1088 CD1 LEU A 184 -9.645 -5.481 -6.335 1.00 1.80 C ATOM 1089 CD2 LEU A 184 -8.773 -3.177 -6.694 1.00 2.15 C ATOM 0 H LEU A 184 -12.997 -1.564 -5.114 1.00 0.53 H new ATOM 0 HA LEU A 184 -11.003 -3.077 -3.531 1.00 0.51 H new ATOM 0 HB2 LEU A 184 -11.720 -4.352 -5.558 1.00 0.68 H new ATOM 0 HB3 LEU A 184 -11.286 -2.982 -6.561 1.00 0.68 H new ATOM 0 HG LEU A 184 -9.148 -4.078 -4.793 1.00 1.14 H new ATOM 0 HD11 LEU A 184 -8.628 -5.862 -6.429 1.00 1.80 H new ATOM 0 HD12 LEU A 184 -10.211 -6.121 -5.658 1.00 1.80 H new ATOM 0 HD13 LEU A 184 -10.123 -5.477 -7.315 1.00 1.80 H new ATOM 0 HD21 LEU A 184 -7.767 -3.587 -6.779 1.00 2.15 H new ATOM 0 HD22 LEU A 184 -9.233 -3.136 -7.681 1.00 2.15 H new ATOM 0 HD23 LEU A 184 -8.721 -2.172 -6.276 1.00 2.15 H new ATOM 1101 N LEU A 185 -9.468 -1.207 -3.587 1.00 0.32 N ATOM 1102 CA LEU A 185 -8.460 -0.147 -3.550 1.00 0.30 C ATOM 1103 C LEU A 185 -7.098 -0.787 -3.706 1.00 0.29 C ATOM 1104 O LEU A 185 -6.678 -1.549 -2.860 1.00 0.48 O ATOM 1105 CB LEU A 185 -8.499 0.614 -2.218 1.00 0.38 C ATOM 1106 CG LEU A 185 -9.687 1.565 -1.996 1.00 0.55 C ATOM 1107 CD1 LEU A 185 -11.023 0.879 -2.192 1.00 0.99 C ATOM 1108 CD2 LEU A 185 -9.618 2.162 -0.604 1.00 1.07 C ATOM 0 H LEU A 185 -9.408 -1.852 -2.799 1.00 0.32 H new ATOM 0 HA LEU A 185 -8.662 0.561 -4.354 1.00 0.30 H new ATOM 0 HB2 LEU A 185 -8.493 -0.117 -1.409 1.00 0.38 H new ATOM 0 HB3 LEU A 185 -7.580 1.193 -2.131 1.00 0.38 H new ATOM 0 HG LEU A 185 -9.612 2.353 -2.745 1.00 0.55 H new ATOM 0 HD11 LEU A 185 -11.828 1.595 -2.023 1.00 0.99 H new ATOM 0 HD12 LEU A 185 -11.088 0.493 -3.209 1.00 0.99 H new ATOM 0 HD13 LEU A 185 -11.116 0.055 -1.485 1.00 0.99 H new ATOM 0 HD21 LEU A 185 -10.463 2.834 -0.454 1.00 1.07 H new ATOM 0 HD22 LEU A 185 -9.654 1.363 0.137 1.00 1.07 H new ATOM 0 HD23 LEU A 185 -8.687 2.718 -0.492 1.00 1.07 H new ATOM 1120 N HIS A 186 -6.410 -0.458 -4.771 1.00 0.27 N ATOM 1121 CA HIS A 186 -5.265 -1.239 -5.221 1.00 0.30 C ATOM 1122 C HIS A 186 -4.011 -0.392 -5.368 1.00 0.40 C ATOM 1123 O HIS A 186 -3.995 0.465 -6.211 1.00 0.67 O ATOM 1124 CB HIS A 186 -5.657 -1.765 -6.581 1.00 0.44 C ATOM 1125 CG HIS A 186 -4.609 -2.542 -7.322 1.00 0.67 C ATOM 1126 ND1 HIS A 186 -4.437 -2.437 -8.686 1.00 1.18 N ATOM 1127 CD2 HIS A 186 -3.717 -3.474 -6.905 1.00 1.54 C ATOM 1128 CE1 HIS A 186 -3.488 -3.265 -9.073 1.00 1.51 C ATOM 1129 NE2 HIS A 186 -3.033 -3.909 -8.015 1.00 1.79 N ATOM 0 H HIS A 186 -6.619 0.353 -5.354 1.00 0.27 H new ATOM 0 HA HIS A 186 -5.033 -2.021 -4.498 1.00 0.30 H new ATOM 0 HB2 HIS A 186 -6.534 -2.401 -6.462 1.00 0.44 H new ATOM 0 HB3 HIS A 186 -5.958 -0.920 -7.200 1.00 0.44 H new ATOM 0 HD2 HIS A 186 -3.571 -3.812 -5.890 1.00 1.54 H new ATOM 0 HE1 HIS A 186 -3.140 -3.395 -10.087 1.00 1.51 H new ATOM 0 HE2 HIS A 186 -2.295 -4.613 -8.020 1.00 1.79 H new ATOM 1138 N LEU A 187 -2.948 -0.672 -4.635 1.00 0.32 N ATOM 1139 CA LEU A 187 -1.713 0.042 -4.820 1.00 0.37 C ATOM 1140 C LEU A 187 -0.746 -0.849 -5.544 1.00 0.36 C ATOM 1141 O LEU A 187 -0.466 -1.956 -5.064 1.00 0.35 O ATOM 1142 CB LEU A 187 -1.086 0.416 -3.484 1.00 0.43 C ATOM 1143 CG LEU A 187 0.031 1.460 -3.553 1.00 0.55 C ATOM 1144 CD1 LEU A 187 -0.519 2.795 -4.024 1.00 1.38 C ATOM 1145 CD2 LEU A 187 0.709 1.604 -2.199 1.00 1.26 C ATOM 0 H LEU A 187 -2.922 -1.388 -3.909 1.00 0.32 H new ATOM 0 HA LEU A 187 -1.926 0.950 -5.384 1.00 0.37 H new ATOM 0 HB2 LEU A 187 -1.870 0.790 -2.826 1.00 0.43 H new ATOM 0 HB3 LEU A 187 -0.688 -0.488 -3.023 1.00 0.43 H new ATOM 0 HG LEU A 187 0.776 1.124 -4.274 1.00 0.55 H new ATOM 0 HD11 LEU A 187 0.288 3.526 -4.067 1.00 1.38 H new ATOM 0 HD12 LEU A 187 -0.957 2.679 -5.015 1.00 1.38 H new ATOM 0 HD13 LEU A 187 -1.284 3.140 -3.328 1.00 1.38 H new ATOM 0 HD21 LEU A 187 1.501 2.350 -2.266 1.00 1.26 H new ATOM 0 HD22 LEU A 187 -0.024 1.919 -1.457 1.00 1.26 H new ATOM 0 HD23 LEU A 187 1.137 0.646 -1.903 1.00 1.26 H new ATOM 1157 N THR A 188 -0.293 -0.386 -6.700 1.00 0.39 N ATOM 1158 CA THR A 188 0.813 -0.994 -7.396 1.00 0.44 C ATOM 1159 C THR A 188 2.090 -0.282 -6.997 1.00 0.50 C ATOM 1160 O THR A 188 2.293 0.890 -7.327 1.00 0.55 O ATOM 1161 CB THR A 188 0.628 -0.901 -8.920 1.00 0.51 C ATOM 1162 OG1 THR A 188 0.177 0.406 -9.282 1.00 0.70 O ATOM 1163 CG2 THR A 188 -0.371 -1.930 -9.410 1.00 0.47 C ATOM 0 H THR A 188 -0.689 0.425 -7.176 1.00 0.39 H new ATOM 0 HA THR A 188 0.863 -2.049 -7.125 1.00 0.44 H new ATOM 0 HB THR A 188 1.593 -1.099 -9.388 1.00 0.51 H new ATOM 0 HG1 THR A 188 0.761 1.078 -8.873 1.00 0.70 H new ATOM 0 HG21 THR A 188 -0.483 -1.842 -10.491 1.00 0.47 H new ATOM 0 HG22 THR A 188 -0.015 -2.930 -9.162 1.00 0.47 H new ATOM 0 HG23 THR A 188 -1.335 -1.759 -8.930 1.00 0.47 H new ATOM 1171 N LEU A 189 2.925 -0.978 -6.257 1.00 0.52 N ATOM 1172 CA LEU A 189 4.128 -0.394 -5.732 1.00 0.58 C ATOM 1173 C LEU A 189 5.366 -1.089 -6.288 1.00 0.61 C ATOM 1174 O LEU A 189 5.611 -2.243 -5.973 1.00 0.67 O ATOM 1175 CB LEU A 189 4.075 -0.457 -4.207 1.00 0.67 C ATOM 1176 CG LEU A 189 5.389 -0.164 -3.493 1.00 0.75 C ATOM 1177 CD1 LEU A 189 6.003 1.095 -4.059 1.00 1.08 C ATOM 1178 CD2 LEU A 189 5.139 0.008 -2.015 1.00 1.21 C ATOM 0 H LEU A 189 2.786 -1.957 -6.007 1.00 0.52 H new ATOM 0 HA LEU A 189 4.197 0.649 -6.042 1.00 0.58 H new ATOM 0 HB2 LEU A 189 3.325 0.253 -3.857 1.00 0.67 H new ATOM 0 HB3 LEU A 189 3.735 -1.450 -3.913 1.00 0.67 H new ATOM 0 HG LEU A 189 6.075 -0.997 -3.644 1.00 0.75 H new ATOM 0 HD11 LEU A 189 6.943 1.303 -3.547 1.00 1.08 H new ATOM 0 HD12 LEU A 189 6.192 0.961 -5.124 1.00 1.08 H new ATOM 0 HD13 LEU A 189 5.318 1.931 -3.914 1.00 1.08 H new ATOM 0 HD21 LEU A 189 6.081 0.217 -1.509 1.00 1.21 H new ATOM 0 HD22 LEU A 189 4.450 0.838 -1.857 1.00 1.21 H new ATOM 0 HD23 LEU A 189 4.705 -0.906 -1.611 1.00 1.21 H new ATOM 1190 N PRO A 190 6.155 -0.394 -7.122 1.00 0.66 N ATOM 1191 CA PRO A 190 7.431 -0.914 -7.627 1.00 0.73 C ATOM 1192 C PRO A 190 8.346 -1.361 -6.488 1.00 0.89 C ATOM 1193 O PRO A 190 8.297 -0.817 -5.382 1.00 0.98 O ATOM 1194 CB PRO A 190 8.037 0.288 -8.353 1.00 0.86 C ATOM 1195 CG PRO A 190 6.866 1.110 -8.761 1.00 0.86 C ATOM 1196 CD PRO A 190 5.847 0.935 -7.672 1.00 0.78 C ATOM 0 HA PRO A 190 7.301 -1.790 -8.262 1.00 0.73 H new ATOM 0 HB2 PRO A 190 8.707 0.849 -7.701 1.00 0.86 H new ATOM 0 HB3 PRO A 190 8.622 -0.025 -9.218 1.00 0.86 H new ATOM 0 HG2 PRO A 190 7.143 2.158 -8.873 1.00 0.86 H new ATOM 0 HG3 PRO A 190 6.472 0.780 -9.722 1.00 0.86 H new ATOM 0 HD2 PRO A 190 5.933 1.713 -6.913 1.00 0.78 H new ATOM 0 HD3 PRO A 190 4.830 0.982 -8.063 1.00 0.78 H new ATOM 1204 N LYS A 191 9.196 -2.337 -6.785 1.00 1.06 N ATOM 1205 CA LYS A 191 9.961 -3.041 -5.765 1.00 1.32 C ATOM 1206 C LYS A 191 10.797 -2.099 -4.916 1.00 1.50 C ATOM 1207 O LYS A 191 11.591 -1.305 -5.419 1.00 1.61 O ATOM 1208 CB LYS A 191 10.854 -4.095 -6.421 1.00 1.60 C ATOM 1209 CG LYS A 191 11.617 -3.590 -7.636 1.00 1.99 C ATOM 1210 CD LYS A 191 12.386 -4.711 -8.317 1.00 2.64 C ATOM 1211 CE LYS A 191 12.852 -4.300 -9.705 1.00 3.26 C ATOM 1212 NZ LYS A 191 11.704 -3.958 -10.588 1.00 3.64 N ATOM 0 H LYS A 191 9.373 -2.661 -7.736 1.00 1.06 H new ATOM 0 HA LYS A 191 9.248 -3.526 -5.098 1.00 1.32 H new ATOM 0 HB2 LYS A 191 11.568 -4.462 -5.683 1.00 1.60 H new ATOM 0 HB3 LYS A 191 10.238 -4.944 -6.718 1.00 1.60 H new ATOM 0 HG2 LYS A 191 10.920 -3.143 -8.345 1.00 1.99 H new ATOM 0 HG3 LYS A 191 12.309 -2.805 -7.332 1.00 1.99 H new ATOM 0 HD2 LYS A 191 13.248 -4.985 -7.708 1.00 2.64 H new ATOM 0 HD3 LYS A 191 11.754 -5.596 -8.391 1.00 2.64 H new ATOM 0 HE2 LYS A 191 13.520 -3.442 -9.626 1.00 3.26 H new ATOM 0 HE3 LYS A 191 13.427 -5.111 -10.152 1.00 3.26 H new ATOM 0 HZ1 LYS A 191 11.972 -4.112 -11.581 1.00 3.64 H new ATOM 0 HZ2 LYS A 191 10.892 -4.563 -10.351 1.00 3.64 H new ATOM 0 HZ3 LYS A 191 11.445 -2.960 -10.450 1.00 3.64 H new ATOM 1226 N LYS A 192 10.598 -2.216 -3.611 1.00 1.73 N ATOM 1227 CA LYS A 192 11.307 -1.409 -2.634 1.00 2.06 C ATOM 1228 C LYS A 192 12.697 -1.989 -2.435 1.00 2.14 C ATOM 1229 O LYS A 192 13.696 -1.449 -2.909 1.00 2.45 O ATOM 1230 CB LYS A 192 10.552 -1.423 -1.298 1.00 2.43 C ATOM 1231 CG LYS A 192 9.043 -1.565 -1.453 1.00 2.74 C ATOM 1232 CD LYS A 192 8.341 -1.777 -0.116 1.00 3.41 C ATOM 1233 CE LYS A 192 8.771 -3.082 0.541 1.00 4.16 C ATOM 1234 NZ LYS A 192 8.001 -3.366 1.783 1.00 4.71 N ATOM 0 H LYS A 192 9.938 -2.876 -3.201 1.00 1.73 H new ATOM 0 HA LYS A 192 11.378 -0.381 -2.991 1.00 2.06 H new ATOM 0 HB2 LYS A 192 10.925 -2.245 -0.688 1.00 2.43 H new ATOM 0 HB3 LYS A 192 10.768 -0.501 -0.758 1.00 2.43 H new ATOM 0 HG2 LYS A 192 8.644 -0.671 -1.933 1.00 2.74 H new ATOM 0 HG3 LYS A 192 8.825 -2.405 -2.112 1.00 2.74 H new ATOM 0 HD2 LYS A 192 8.564 -0.943 0.549 1.00 3.41 H new ATOM 0 HD3 LYS A 192 7.262 -1.784 -0.268 1.00 3.41 H new ATOM 0 HE2 LYS A 192 8.637 -3.903 -0.163 1.00 4.16 H new ATOM 0 HE3 LYS A 192 9.834 -3.035 0.777 1.00 4.16 H new ATOM 0 HZ1 LYS A 192 8.327 -4.263 2.196 1.00 4.71 H new ATOM 0 HZ2 LYS A 192 8.149 -2.596 2.467 1.00 4.71 H new ATOM 0 HZ3 LYS A 192 6.989 -3.437 1.555 1.00 4.71 H new ATOM 1248 N VAL A 193 12.733 -3.102 -1.723 1.00 2.09 N ATOM 1249 CA VAL A 193 13.949 -3.876 -1.541 1.00 2.30 C ATOM 1250 C VAL A 193 13.665 -5.346 -1.801 1.00 2.34 C ATOM 1251 O VAL A 193 13.068 -6.037 -0.973 1.00 2.29 O ATOM 1252 CB VAL A 193 14.569 -3.681 -0.134 1.00 2.58 C ATOM 1253 CG1 VAL A 193 15.299 -2.347 -0.053 1.00 2.90 C ATOM 1254 CG2 VAL A 193 13.505 -3.763 0.954 1.00 2.95 C ATOM 0 H VAL A 193 11.918 -3.496 -1.253 1.00 2.09 H new ATOM 0 HA VAL A 193 14.683 -3.513 -2.260 1.00 2.30 H new ATOM 0 HB VAL A 193 15.285 -4.487 0.029 1.00 2.58 H new ATOM 0 HG11 VAL A 193 15.728 -2.227 0.942 1.00 2.90 H new ATOM 0 HG12 VAL A 193 16.095 -2.322 -0.797 1.00 2.90 H new ATOM 0 HG13 VAL A 193 14.597 -1.536 -0.246 1.00 2.90 H new ATOM 0 HG21 VAL A 193 13.971 -3.622 1.930 1.00 2.95 H new ATOM 0 HG22 VAL A 193 12.759 -2.985 0.793 1.00 2.95 H new ATOM 0 HG23 VAL A 193 13.024 -4.740 0.919 1.00 2.95 H new ATOM 1264 N PRO A 194 14.048 -5.829 -2.984 1.00 2.59 N ATOM 1265 CA PRO A 194 13.795 -7.204 -3.383 1.00 2.88 C ATOM 1266 C PRO A 194 14.735 -8.191 -2.699 1.00 3.13 C ATOM 1267 O PRO A 194 15.905 -7.887 -2.488 1.00 3.21 O ATOM 1268 CB PRO A 194 14.034 -7.179 -4.888 1.00 3.34 C ATOM 1269 CG PRO A 194 15.069 -6.134 -5.059 1.00 3.19 C ATOM 1270 CD PRO A 194 14.752 -5.075 -4.037 1.00 2.80 C ATOM 0 HA PRO A 194 12.795 -7.536 -3.104 1.00 2.88 H new ATOM 0 HB2 PRO A 194 14.376 -8.146 -5.256 1.00 3.34 H new ATOM 0 HB3 PRO A 194 13.123 -6.934 -5.435 1.00 3.34 H new ATOM 0 HG2 PRO A 194 16.067 -6.543 -4.903 1.00 3.19 H new ATOM 0 HG3 PRO A 194 15.047 -5.723 -6.068 1.00 3.19 H new ATOM 0 HD2 PRO A 194 15.655 -4.598 -3.656 1.00 2.80 H new ATOM 0 HD3 PRO A 194 14.127 -4.286 -4.455 1.00 2.80 H new ATOM 1278 N MET A 195 14.179 -9.345 -2.317 1.00 3.35 N ATOM 1279 CA MET A 195 14.924 -10.469 -1.717 1.00 3.77 C ATOM 1280 C MET A 195 15.492 -10.084 -0.354 1.00 3.52 C ATOM 1281 O MET A 195 16.331 -10.780 0.218 1.00 3.93 O ATOM 1282 CB MET A 195 16.032 -10.993 -2.657 1.00 4.38 C ATOM 1283 CG MET A 195 17.378 -10.287 -2.539 1.00 4.43 C ATOM 1284 SD MET A 195 18.505 -10.718 -3.883 1.00 5.16 S ATOM 1285 CE MET A 195 17.578 -10.126 -5.298 1.00 5.60 C ATOM 0 H MET A 195 13.181 -9.533 -2.416 1.00 3.35 H new ATOM 0 HA MET A 195 14.217 -11.285 -1.570 1.00 3.77 H new ATOM 0 HB2 MET A 195 16.179 -12.055 -2.460 1.00 4.38 H new ATOM 0 HB3 MET A 195 15.684 -10.905 -3.686 1.00 4.38 H new ATOM 0 HG2 MET A 195 17.220 -9.209 -2.534 1.00 4.43 H new ATOM 0 HG3 MET A 195 17.838 -10.546 -1.586 1.00 4.43 H new ATOM 0 HE1 MET A 195 18.256 -9.641 -6.000 1.00 5.60 H new ATOM 0 HE2 MET A 195 17.088 -10.966 -5.789 1.00 5.60 H new ATOM 0 HE3 MET A 195 16.826 -9.410 -4.967 1.00 5.60 H new ATOM 1295 N LEU A 196 14.989 -8.984 0.168 1.00 2.98 N ATOM 1296 CA LEU A 196 15.403 -8.459 1.446 1.00 2.89 C ATOM 1297 C LEU A 196 14.254 -8.560 2.421 1.00 2.64 C ATOM 1298 O LEU A 196 13.105 -8.314 2.064 1.00 2.41 O ATOM 1299 CB LEU A 196 15.851 -7.019 1.324 1.00 2.77 C ATOM 1300 CG LEU A 196 17.363 -6.791 1.206 1.00 3.23 C ATOM 1301 CD1 LEU A 196 17.911 -7.390 -0.080 1.00 3.64 C ATOM 1302 CD2 LEU A 196 17.683 -5.306 1.283 1.00 3.80 C ATOM 0 H LEU A 196 14.271 -8.424 -0.293 1.00 2.98 H new ATOM 0 HA LEU A 196 16.248 -9.045 1.807 1.00 2.89 H new ATOM 0 HB2 LEU A 196 15.369 -6.583 0.449 1.00 2.77 H new ATOM 0 HB3 LEU A 196 15.488 -6.472 2.194 1.00 2.77 H new ATOM 0 HG LEU A 196 17.846 -7.296 2.042 1.00 3.23 H new ATOM 0 HD11 LEU A 196 18.985 -7.212 -0.135 1.00 3.64 H new ATOM 0 HD12 LEU A 196 17.720 -8.463 -0.092 1.00 3.64 H new ATOM 0 HD13 LEU A 196 17.422 -6.924 -0.936 1.00 3.64 H new ATOM 0 HD21 LEU A 196 18.760 -5.161 1.198 1.00 3.80 H new ATOM 0 HD22 LEU A 196 17.181 -4.783 0.469 1.00 3.80 H new ATOM 0 HD23 LEU A 196 17.338 -4.908 2.237 1.00 3.80 H new ATOM 1314 N THR A 197 14.560 -8.937 3.634 1.00 2.86 N ATOM 1315 CA THR A 197 13.540 -9.272 4.597 1.00 2.73 C ATOM 1316 C THR A 197 13.122 -8.059 5.419 1.00 2.44 C ATOM 1317 O THR A 197 13.928 -7.454 6.130 1.00 2.80 O ATOM 1318 CB THR A 197 14.058 -10.414 5.468 1.00 3.34 C ATOM 1319 OG1 THR A 197 15.133 -9.961 6.304 1.00 3.71 O ATOM 1320 CG2 THR A 197 14.561 -11.496 4.536 1.00 3.84 C ATOM 0 H THR A 197 15.515 -9.021 3.982 1.00 2.86 H new ATOM 0 HA THR A 197 12.638 -9.600 4.080 1.00 2.73 H new ATOM 0 HB THR A 197 13.264 -10.788 6.114 1.00 3.34 H new ATOM 0 HG1 THR A 197 15.031 -9.002 6.476 1.00 3.71 H new ATOM 0 HG21 THR A 197 14.941 -12.333 5.122 1.00 3.84 H new ATOM 0 HG22 THR A 197 13.744 -11.839 3.902 1.00 3.84 H new ATOM 0 HG23 THR A 197 15.361 -11.096 3.913 1.00 3.84 H new ATOM 1328 N TRP A 198 11.856 -7.703 5.289 1.00 2.12 N ATOM 1329 CA TRP A 198 11.327 -6.484 5.872 1.00 2.18 C ATOM 1330 C TRP A 198 10.908 -6.721 7.316 1.00 2.10 C ATOM 1331 O TRP A 198 10.498 -7.820 7.686 1.00 1.86 O ATOM 1332 CB TRP A 198 10.132 -6.012 5.039 1.00 2.35 C ATOM 1333 CG TRP A 198 10.273 -6.381 3.594 1.00 2.45 C ATOM 1334 CD1 TRP A 198 10.930 -5.683 2.623 1.00 2.79 C ATOM 1335 CD2 TRP A 198 9.776 -7.568 2.969 1.00 2.74 C ATOM 1336 NE1 TRP A 198 10.865 -6.362 1.431 1.00 2.99 N ATOM 1337 CE2 TRP A 198 10.165 -7.523 1.621 1.00 2.99 C ATOM 1338 CE3 TRP A 198 9.039 -8.667 3.422 1.00 3.25 C ATOM 1339 CZ2 TRP A 198 9.845 -8.532 0.720 1.00 3.56 C ATOM 1340 CZ3 TRP A 198 8.723 -9.670 2.525 1.00 3.96 C ATOM 1341 CH2 TRP A 198 9.127 -9.597 1.187 1.00 4.04 C ATOM 0 H TRP A 198 11.166 -8.252 4.776 1.00 2.12 H new ATOM 0 HA TRP A 198 12.100 -5.715 5.869 1.00 2.18 H new ATOM 0 HB2 TRP A 198 9.217 -6.450 5.437 1.00 2.35 H new ATOM 0 HB3 TRP A 198 10.032 -4.930 5.129 1.00 2.35 H new ATOM 0 HD1 TRP A 198 11.428 -4.736 2.770 1.00 2.79 H new ATOM 0 HE1 TRP A 198 11.272 -6.052 0.548 1.00 2.99 H new ATOM 0 HE3 TRP A 198 8.723 -8.731 4.453 1.00 3.25 H new ATOM 0 HZ2 TRP A 198 10.153 -8.476 -0.314 1.00 3.56 H new ATOM 0 HZ3 TRP A 198 8.155 -10.524 2.862 1.00 3.96 H new ATOM 0 HH2 TRP A 198 8.866 -10.398 0.511 1.00 4.04 H new ATOM 1352 N PRO A 199 11.021 -5.671 8.146 1.00 2.57 N ATOM 1353 CA PRO A 199 10.701 -5.735 9.575 1.00 2.78 C ATOM 1354 C PRO A 199 9.230 -6.043 9.821 1.00 2.32 C ATOM 1355 O PRO A 199 8.869 -6.623 10.843 1.00 2.35 O ATOM 1356 CB PRO A 199 11.039 -4.329 10.091 1.00 3.36 C ATOM 1357 CG PRO A 199 11.924 -3.734 9.049 1.00 3.70 C ATOM 1358 CD PRO A 199 11.478 -4.331 7.751 1.00 3.21 C ATOM 0 HA PRO A 199 11.254 -6.529 10.076 1.00 2.78 H new ATOM 0 HB2 PRO A 199 10.137 -3.733 10.229 1.00 3.36 H new ATOM 0 HB3 PRO A 199 11.542 -4.374 11.057 1.00 3.36 H new ATOM 0 HG2 PRO A 199 11.834 -2.648 9.032 1.00 3.70 H new ATOM 0 HG3 PRO A 199 12.971 -3.964 9.247 1.00 3.70 H new ATOM 0 HD2 PRO A 199 10.678 -3.750 7.293 1.00 3.21 H new ATOM 0 HD3 PRO A 199 12.292 -4.379 7.027 1.00 3.21 H new ATOM 1366 N SER A 200 8.389 -5.632 8.877 1.00 1.98 N ATOM 1367 CA SER A 200 6.969 -5.875 8.928 1.00 1.64 C ATOM 1368 C SER A 200 6.402 -5.731 7.525 1.00 1.46 C ATOM 1369 O SER A 200 7.102 -5.278 6.614 1.00 1.48 O ATOM 1370 CB SER A 200 6.270 -4.898 9.885 1.00 1.61 C ATOM 1371 OG SER A 200 6.748 -5.040 11.214 1.00 2.22 O ATOM 0 H SER A 200 8.687 -5.116 8.049 1.00 1.98 H new ATOM 0 HA SER A 200 6.793 -6.883 9.304 1.00 1.64 H new ATOM 0 HB2 SER A 200 6.434 -3.875 9.546 1.00 1.61 H new ATOM 0 HB3 SER A 200 5.194 -5.073 9.863 1.00 1.61 H new ATOM 0 HG SER A 200 7.305 -5.844 11.277 1.00 2.22 H new ATOM 1377 N LEU A 201 5.161 -6.131 7.352 1.00 1.48 N ATOM 1378 CA LEU A 201 4.461 -5.959 6.078 1.00 1.53 C ATOM 1379 C LEU A 201 4.428 -4.497 5.706 1.00 1.27 C ATOM 1380 O LEU A 201 4.825 -4.071 4.616 1.00 1.34 O ATOM 1381 CB LEU A 201 3.008 -6.406 6.249 1.00 1.86 C ATOM 1382 CG LEU A 201 2.173 -6.391 4.974 1.00 2.53 C ATOM 1383 CD1 LEU A 201 3.002 -6.881 3.807 1.00 3.12 C ATOM 1384 CD2 LEU A 201 0.932 -7.247 5.151 1.00 3.06 C ATOM 0 H LEU A 201 4.604 -6.582 8.078 1.00 1.48 H new ATOM 0 HA LEU A 201 4.974 -6.541 5.313 1.00 1.53 H new ATOM 0 HB2 LEU A 201 3.001 -7.416 6.658 1.00 1.86 H new ATOM 0 HB3 LEU A 201 2.530 -5.761 6.986 1.00 1.86 H new ATOM 0 HG LEU A 201 1.856 -5.369 4.767 1.00 2.53 H new ATOM 0 HD11 LEU A 201 2.398 -6.867 2.900 1.00 3.12 H new ATOM 0 HD12 LEU A 201 3.867 -6.231 3.677 1.00 3.12 H new ATOM 0 HD13 LEU A 201 3.340 -7.899 4.002 1.00 3.12 H new ATOM 0 HD21 LEU A 201 0.343 -7.229 4.234 1.00 3.06 H new ATOM 0 HD22 LEU A 201 1.226 -8.273 5.373 1.00 3.06 H new ATOM 0 HD23 LEU A 201 0.334 -6.855 5.974 1.00 3.06 H new ATOM 1396 N LEU A 202 3.982 -3.755 6.676 1.00 1.16 N ATOM 1397 CA LEU A 202 3.918 -2.334 6.632 1.00 1.12 C ATOM 1398 C LEU A 202 4.813 -1.815 7.750 1.00 1.18 C ATOM 1399 O LEU A 202 4.698 -2.248 8.895 1.00 1.36 O ATOM 1400 CB LEU A 202 2.459 -1.929 6.826 1.00 1.37 C ATOM 1401 CG LEU A 202 1.888 -2.306 8.186 1.00 2.56 C ATOM 1402 CD1 LEU A 202 1.018 -1.185 8.651 1.00 3.06 C ATOM 1403 CD2 LEU A 202 1.116 -3.615 8.119 1.00 3.24 C ATOM 0 H LEU A 202 3.640 -4.145 7.554 1.00 1.16 H new ATOM 0 HA LEU A 202 4.261 -1.917 5.685 1.00 1.12 H new ATOM 0 HB2 LEU A 202 2.371 -0.851 6.693 1.00 1.37 H new ATOM 0 HB3 LEU A 202 1.856 -2.397 6.048 1.00 1.37 H new ATOM 0 HG LEU A 202 2.700 -2.462 8.897 1.00 2.56 H new ATOM 0 HD11 LEU A 202 0.596 -1.432 9.625 1.00 3.06 H new ATOM 0 HD12 LEU A 202 1.611 -0.274 8.732 1.00 3.06 H new ATOM 0 HD13 LEU A 202 0.211 -1.030 7.935 1.00 3.06 H new ATOM 0 HD21 LEU A 202 0.721 -3.856 9.106 1.00 3.24 H new ATOM 0 HD22 LEU A 202 0.291 -3.515 7.413 1.00 3.24 H new ATOM 0 HD23 LEU A 202 1.781 -4.413 7.790 1.00 3.24 H new ATOM 1415 N VAL A 203 5.715 -0.918 7.424 1.00 1.19 N ATOM 1416 CA VAL A 203 6.741 -0.503 8.372 1.00 1.44 C ATOM 1417 C VAL A 203 6.677 0.984 8.568 1.00 1.43 C ATOM 1418 O VAL A 203 7.445 1.716 7.967 1.00 2.00 O ATOM 1419 CB VAL A 203 8.149 -0.822 7.859 1.00 1.69 C ATOM 1420 CG1 VAL A 203 9.148 -0.835 9.007 1.00 2.05 C ATOM 1421 CG2 VAL A 203 8.182 -2.130 7.086 1.00 2.01 C ATOM 0 H VAL A 203 5.765 -0.459 6.514 1.00 1.19 H new ATOM 0 HA VAL A 203 6.554 -1.043 9.300 1.00 1.44 H new ATOM 0 HB VAL A 203 8.437 -0.032 7.165 1.00 1.69 H new ATOM 0 HG11 VAL A 203 10.142 -1.063 8.622 1.00 2.05 H new ATOM 0 HG12 VAL A 203 9.161 0.143 9.489 1.00 2.05 H new ATOM 0 HG13 VAL A 203 8.857 -1.594 9.734 1.00 2.05 H new ATOM 0 HG21 VAL A 203 9.197 -2.322 6.738 1.00 2.01 H new ATOM 0 HG22 VAL A 203 7.861 -2.945 7.735 1.00 2.01 H new ATOM 0 HG23 VAL A 203 7.512 -2.063 6.229 1.00 2.01 H new ATOM 1431 N GLU A 204 5.779 1.446 9.386 1.00 1.46 N ATOM 1432 CA GLU A 204 5.569 2.864 9.455 1.00 1.75 C ATOM 1433 C GLU A 204 5.154 3.259 10.866 1.00 2.25 C ATOM 1434 O GLU A 204 3.959 3.119 11.203 1.00 2.80 O ATOM 1435 CB GLU A 204 4.525 3.235 8.401 1.00 2.00 C ATOM 1436 CG GLU A 204 4.556 4.687 7.938 1.00 2.67 C ATOM 1437 CD GLU A 204 4.152 5.677 9.007 1.00 3.03 C ATOM 1438 OE1 GLU A 204 5.019 6.458 9.454 1.00 3.44 O ATOM 1439 OE2 GLU A 204 2.964 5.693 9.397 1.00 3.27 O ATOM 1440 OXT GLU A 204 6.036 3.663 11.653 1.00 2.67 O ATOM 0 H GLU A 204 5.193 0.881 10.001 1.00 1.46 H new ATOM 0 HA GLU A 204 6.485 3.414 9.241 1.00 1.75 H new ATOM 0 HB2 GLU A 204 4.664 2.591 7.533 1.00 2.00 H new ATOM 0 HB3 GLU A 204 3.535 3.020 8.802 1.00 2.00 H new ATOM 0 HG2 GLU A 204 5.562 4.928 7.595 1.00 2.67 H new ATOM 0 HG3 GLU A 204 3.891 4.800 7.082 1.00 2.67 H new TER 1447 GLU A 204