USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 302 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 123 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 124 SER OG : rot 180:sc= -0.524 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -0.0481 X(o=-0.048,f=-0.0012) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -170:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.0637 X(o=-0.064,f=-0.097) USER MOD Single : A 155 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 172:sc= 0.684 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.750 -1.558 -5.817 1.00 33.11 N ATOM 50 CA GLN A 113 11.639 -2.232 -6.756 1.00 54.20 C ATOM 51 C GLN A 113 12.931 -2.661 -6.070 1.00 22.23 C ATOM 52 O GLN A 113 13.742 -1.825 -5.672 1.00 13.42 O ATOM 53 CB GLN A 113 11.955 -1.315 -7.939 1.00 5.34 C ATOM 54 CG GLN A 113 12.755 -1.995 -9.039 1.00 15.53 C ATOM 55 CD GLN A 113 13.444 -1.004 -9.956 1.00 72.14 C ATOM 56 OE1 GLN A 113 12.853 -0.519 -10.922 1.00 33.33 O ATOM 57 NE2 GLN A 113 14.701 -0.698 -9.660 1.00 4.24 N ATOM 0 HA GLN A 113 11.131 -3.124 -7.123 1.00 54.20 H new ATOM 0 HB2 GLN A 113 11.021 -0.942 -8.358 1.00 5.34 H new ATOM 0 HB3 GLN A 113 12.511 -0.449 -7.579 1.00 5.34 H new ATOM 0 HG2 GLN A 113 13.502 -2.648 -8.589 1.00 15.53 H new ATOM 0 HG3 GLN A 113 12.091 -2.628 -9.628 1.00 15.53 H new ATOM 0 HE21 GLN A 113 15.152 -1.123 -8.850 1.00 4.24 H new ATOM 0 HE22 GLN A 113 15.216 -0.038 -10.242 1.00 4.24 H new ATOM 66 N SER A 114 13.117 -3.970 -5.934 1.00 72.31 N ATOM 67 CA SER A 114 14.309 -4.511 -5.292 1.00 1.22 C ATOM 68 C SER A 114 15.092 -5.396 -6.257 1.00 32.43 C ATOM 69 O SER A 114 14.618 -5.718 -7.347 1.00 44.53 O ATOM 70 CB SER A 114 13.925 -5.310 -4.045 1.00 72.44 C ATOM 71 OG SER A 114 13.182 -4.515 -3.138 1.00 54.13 O ATOM 0 H SER A 114 12.457 -4.676 -6.260 1.00 72.31 H new ATOM 0 HA SER A 114 14.944 -3.675 -4.997 1.00 1.22 H new ATOM 0 HB2 SER A 114 13.338 -6.182 -4.334 1.00 72.44 H new ATOM 0 HB3 SER A 114 14.826 -5.680 -3.555 1.00 72.44 H new ATOM 0 HG SER A 114 12.948 -5.049 -2.351 1.00 54.13 H new ATOM 77 N THR A 115 16.294 -5.789 -5.847 1.00 43.32 N ATOM 78 CA THR A 115 17.144 -6.636 -6.674 1.00 4.10 C ATOM 79 C THR A 115 17.141 -8.075 -6.172 1.00 21.22 C ATOM 80 O THR A 115 17.136 -8.323 -4.966 1.00 3.34 O ATOM 81 CB THR A 115 18.595 -6.118 -6.704 1.00 12.23 C ATOM 82 OG1 THR A 115 18.974 -5.647 -5.405 1.00 74.34 O ATOM 83 CG2 THR A 115 18.748 -4.996 -7.720 1.00 21.21 C ATOM 0 H THR A 115 16.701 -5.534 -4.947 1.00 43.32 H new ATOM 0 HA THR A 115 16.734 -6.605 -7.683 1.00 4.10 H new ATOM 0 HB THR A 115 19.246 -6.942 -6.996 1.00 12.23 H new ATOM 0 HG1 THR A 115 19.898 -5.321 -5.432 1.00 74.34 H new ATOM 0 HG21 THR A 115 19.780 -4.646 -7.723 1.00 21.21 H new ATOM 0 HG22 THR A 115 18.487 -5.365 -8.712 1.00 21.21 H new ATOM 0 HG23 THR A 115 18.087 -4.171 -7.454 1.00 21.21 H new ATOM 91 N CYS A 116 17.144 -9.022 -7.104 1.00 64.10 N ATOM 92 CA CYS A 116 17.142 -10.438 -6.757 1.00 0.14 C ATOM 93 C CYS A 116 17.458 -11.298 -7.977 1.00 32.11 C ATOM 94 O CYS A 116 17.264 -10.890 -9.122 1.00 74.01 O ATOM 95 CB CYS A 116 15.786 -10.839 -6.173 1.00 73.23 C ATOM 96 SG CYS A 116 14.357 -10.216 -7.117 1.00 21.44 S ATOM 0 H CYS A 116 17.148 -8.834 -8.107 1.00 64.10 H new ATOM 0 HA CYS A 116 17.916 -10.604 -6.008 1.00 0.14 H new ATOM 0 HB2 CYS A 116 15.730 -11.927 -6.125 1.00 73.23 H new ATOM 0 HB3 CYS A 116 15.720 -10.471 -5.149 1.00 73.23 H new ATOM 101 N PRO A 117 17.956 -12.518 -7.728 1.00 24.03 N ATOM 102 CA PRO A 117 18.309 -13.462 -8.793 1.00 10.24 C ATOM 103 C PRO A 117 17.081 -14.004 -9.516 1.00 63.04 C ATOM 104 O PRO A 117 16.190 -14.583 -8.896 1.00 40.04 O ATOM 105 CB PRO A 117 19.030 -14.587 -8.045 1.00 55.34 C ATOM 106 CG PRO A 117 18.494 -14.523 -6.657 1.00 12.02 C ATOM 107 CD PRO A 117 18.214 -13.070 -6.387 1.00 71.42 C ATOM 0 HA PRO A 117 18.913 -12.994 -9.570 1.00 10.24 H new ATOM 0 HB2 PRO A 117 18.832 -15.557 -8.502 1.00 55.34 H new ATOM 0 HB3 PRO A 117 20.110 -14.443 -8.059 1.00 55.34 H new ATOM 0 HG2 PRO A 117 17.587 -15.119 -6.561 1.00 12.02 H new ATOM 0 HG3 PRO A 117 19.214 -14.921 -5.942 1.00 12.02 H new ATOM 0 HD2 PRO A 117 17.356 -12.942 -5.728 1.00 71.42 H new ATOM 0 HD3 PRO A 117 19.061 -12.580 -5.907 1.00 71.42 H new ATOM 115 N GLU A 118 17.043 -13.813 -10.831 1.00 54.34 N ATOM 116 CA GLU A 118 15.923 -14.283 -11.639 1.00 20.25 C ATOM 117 C GLU A 118 15.653 -15.763 -11.384 1.00 31.30 C ATOM 118 O GLU A 118 16.579 -16.546 -11.171 1.00 61.44 O ATOM 119 CB GLU A 118 16.205 -14.053 -13.125 1.00 33.12 C ATOM 120 CG GLU A 118 15.099 -14.554 -14.039 1.00 31.25 C ATOM 121 CD GLU A 118 15.219 -14.014 -15.450 1.00 40.13 C ATOM 122 OE1 GLU A 118 15.611 -12.838 -15.603 1.00 63.04 O ATOM 123 OE2 GLU A 118 14.921 -14.766 -16.401 1.00 52.14 O ATOM 0 H GLU A 118 17.774 -13.337 -11.359 1.00 54.34 H new ATOM 0 HA GLU A 118 15.038 -13.715 -11.353 1.00 20.25 H new ATOM 0 HB2 GLU A 118 16.352 -12.987 -13.297 1.00 33.12 H new ATOM 0 HB3 GLU A 118 17.138 -14.551 -13.391 1.00 33.12 H new ATOM 0 HG2 GLU A 118 15.122 -15.643 -14.068 1.00 31.25 H new ATOM 0 HG3 GLU A 118 14.133 -14.267 -13.625 1.00 31.25 H new ATOM 130 N ILE A 119 14.378 -16.138 -11.407 1.00 24.53 N ATOM 131 CA ILE A 119 13.986 -17.524 -11.179 1.00 42.30 C ATOM 132 C ILE A 119 14.514 -18.433 -12.283 1.00 64.22 C ATOM 133 O ILE A 119 14.373 -18.152 -13.474 1.00 22.34 O ATOM 134 CB ILE A 119 12.455 -17.669 -11.098 1.00 61.31 C ATOM 135 CG1 ILE A 119 11.886 -16.719 -10.042 1.00 72.25 C ATOM 136 CG2 ILE A 119 12.076 -19.109 -10.783 1.00 11.51 C ATOM 137 CD1 ILE A 119 12.395 -16.994 -8.645 1.00 35.12 C ATOM 0 H ILE A 119 13.600 -15.502 -11.581 1.00 24.53 H new ATOM 0 HA ILE A 119 14.422 -17.823 -10.226 1.00 42.30 H new ATOM 0 HB ILE A 119 12.028 -17.404 -12.065 1.00 61.31 H new ATOM 0 HG12 ILE A 119 12.135 -15.694 -10.315 1.00 72.25 H new ATOM 0 HG13 ILE A 119 10.799 -16.795 -10.045 1.00 72.25 H new ATOM 0 HG21 ILE A 119 10.991 -19.196 -10.729 1.00 11.51 H new ATOM 0 HG22 ILE A 119 12.454 -19.765 -11.567 1.00 11.51 H new ATOM 0 HG23 ILE A 119 12.511 -19.399 -9.827 1.00 11.51 H new ATOM 0 HD11 ILE A 119 11.950 -16.283 -7.949 1.00 35.12 H new ATOM 0 HD12 ILE A 119 12.123 -18.008 -8.352 1.00 35.12 H new ATOM 0 HD13 ILE A 119 13.480 -16.890 -8.626 1.00 35.12 H new ATOM 149 N PRO A 120 15.137 -19.551 -11.882 1.00 33.44 N ATOM 150 CA PRO A 120 15.697 -20.527 -12.822 1.00 13.13 C ATOM 151 C PRO A 120 14.615 -21.285 -13.583 1.00 71.31 C ATOM 152 O PRO A 120 13.569 -21.620 -13.026 1.00 41.11 O ATOM 153 CB PRO A 120 16.482 -21.480 -11.918 1.00 24.13 C ATOM 154 CG PRO A 120 15.822 -21.371 -10.587 1.00 10.42 C ATOM 155 CD PRO A 120 15.341 -19.950 -10.479 1.00 1.02 C ATOM 0 HA PRO A 120 16.304 -20.050 -13.591 1.00 13.13 H new ATOM 0 HB2 PRO A 120 16.446 -22.502 -12.295 1.00 24.13 H new ATOM 0 HB3 PRO A 120 17.533 -21.197 -11.863 1.00 24.13 H new ATOM 0 HG2 PRO A 120 14.991 -22.072 -10.505 1.00 10.42 H new ATOM 0 HG3 PRO A 120 16.520 -21.609 -9.784 1.00 10.42 H new ATOM 0 HD2 PRO A 120 14.418 -19.881 -9.903 1.00 1.02 H new ATOM 0 HD3 PRO A 120 16.074 -19.314 -9.983 1.00 1.02 H new ATOM 163 N ASP A 121 14.873 -21.554 -14.858 1.00 42.32 N ATOM 164 CA ASP A 121 13.922 -22.274 -15.696 1.00 33.51 C ATOM 165 C ASP A 121 14.625 -23.355 -16.511 1.00 30.31 C ATOM 166 O ASP A 121 15.784 -23.202 -16.896 1.00 24.31 O ATOM 167 CB ASP A 121 13.196 -21.305 -16.630 1.00 73.20 C ATOM 168 CG ASP A 121 11.788 -20.995 -16.161 1.00 53.54 C ATOM 169 OD1 ASP A 121 11.627 -20.065 -15.343 1.00 32.41 O ATOM 170 OD2 ASP A 121 10.847 -21.681 -16.613 1.00 32.05 O ATOM 0 H ASP A 121 15.734 -21.284 -15.334 1.00 42.32 H new ATOM 0 HA ASP A 121 13.192 -22.753 -15.044 1.00 33.51 H new ATOM 0 HB2 ASP A 121 13.765 -20.378 -16.701 1.00 73.20 H new ATOM 0 HB3 ASP A 121 13.156 -21.732 -17.632 1.00 73.20 H new ATOM 175 N LYS A 122 13.916 -24.449 -16.770 1.00 24.13 N ATOM 176 CA LYS A 122 14.471 -25.557 -17.539 1.00 2.51 C ATOM 177 C LYS A 122 14.773 -25.127 -18.971 1.00 2.10 C ATOM 178 O LYS A 122 15.488 -25.816 -19.700 1.00 3.34 O ATOM 179 CB LYS A 122 13.499 -26.738 -17.544 1.00 60.50 C ATOM 180 CG LYS A 122 14.128 -28.046 -17.094 1.00 44.34 C ATOM 181 CD LYS A 122 13.216 -29.228 -17.372 1.00 32.41 C ATOM 182 CE LYS A 122 13.855 -30.539 -16.940 1.00 63.21 C ATOM 183 NZ LYS A 122 13.108 -31.718 -17.459 1.00 65.34 N ATOM 0 H LYS A 122 12.955 -24.592 -16.458 1.00 24.13 H new ATOM 0 HA LYS A 122 15.404 -25.864 -17.066 1.00 2.51 H new ATOM 0 HB2 LYS A 122 12.656 -26.507 -16.893 1.00 60.50 H new ATOM 0 HB3 LYS A 122 13.099 -26.864 -18.550 1.00 60.50 H new ATOM 0 HG2 LYS A 122 15.078 -28.190 -17.608 1.00 44.34 H new ATOM 0 HG3 LYS A 122 14.347 -27.997 -16.027 1.00 44.34 H new ATOM 0 HD2 LYS A 122 12.271 -29.092 -16.846 1.00 32.41 H new ATOM 0 HD3 LYS A 122 12.985 -29.268 -18.436 1.00 32.41 H new ATOM 0 HE2 LYS A 122 14.884 -30.576 -17.296 1.00 63.21 H new ATOM 0 HE3 LYS A 122 13.893 -30.583 -15.852 1.00 63.21 H new ATOM 0 HZ1 LYS A 122 13.575 -32.592 -17.143 1.00 65.34 H new ATOM 0 HZ2 LYS A 122 12.133 -31.697 -17.099 1.00 65.34 H new ATOM 0 HZ3 LYS A 122 13.094 -31.690 -18.499 1.00 65.34 H new ATOM 197 N THR A 123 14.225 -23.983 -19.369 1.00 71.01 N ATOM 198 CA THR A 123 14.436 -23.461 -20.714 1.00 31.55 C ATOM 199 C THR A 123 15.103 -22.091 -20.673 1.00 61.44 C ATOM 200 O THR A 123 15.582 -21.594 -21.692 1.00 50.42 O ATOM 201 CB THR A 123 13.109 -23.351 -21.488 1.00 30.20 C ATOM 202 OG1 THR A 123 12.134 -22.667 -20.694 1.00 35.13 O ATOM 203 CG2 THR A 123 12.587 -24.729 -21.866 1.00 32.22 C ATOM 0 H THR A 123 13.631 -23.400 -18.779 1.00 71.01 H new ATOM 0 HA THR A 123 15.090 -24.165 -21.228 1.00 31.55 H new ATOM 0 HB THR A 123 13.293 -22.787 -22.402 1.00 30.20 H new ATOM 0 HG1 THR A 123 11.294 -22.600 -21.194 1.00 35.13 H new ATOM 0 HG21 THR A 123 11.649 -24.626 -22.412 1.00 32.22 H new ATOM 0 HG22 THR A 123 13.319 -25.235 -22.495 1.00 32.22 H new ATOM 0 HG23 THR A 123 12.418 -25.315 -20.962 1.00 32.22 H new ATOM 211 N SER A 124 15.132 -21.487 -19.490 1.00 54.31 N ATOM 212 CA SER A 124 15.738 -20.172 -19.318 1.00 50.31 C ATOM 213 C SER A 124 16.943 -20.247 -18.385 1.00 51.13 C ATOM 214 O SER A 124 16.799 -20.482 -17.185 1.00 73.43 O ATOM 215 CB SER A 124 14.711 -19.182 -18.765 1.00 3.34 C ATOM 216 OG SER A 124 13.389 -19.638 -18.992 1.00 10.11 O ATOM 0 H SER A 124 14.743 -21.887 -18.636 1.00 54.31 H new ATOM 0 HA SER A 124 16.077 -19.825 -20.294 1.00 50.31 H new ATOM 0 HB2 SER A 124 14.873 -19.045 -17.696 1.00 3.34 H new ATOM 0 HB3 SER A 124 14.849 -18.209 -19.236 1.00 3.34 H new ATOM 0 HG SER A 124 12.752 -18.989 -18.628 1.00 10.11 H new ATOM 222 N ILE A 125 18.131 -20.045 -18.946 1.00 34.30 N ATOM 223 CA ILE A 125 19.361 -20.089 -18.165 1.00 73.02 C ATOM 224 C ILE A 125 20.152 -18.794 -18.313 1.00 12.22 C ATOM 225 O ILE A 125 19.948 -18.033 -19.259 1.00 72.25 O ATOM 226 CB ILE A 125 20.252 -21.273 -18.585 1.00 42.41 C ATOM 227 CG1 ILE A 125 19.392 -22.432 -19.092 1.00 64.31 C ATOM 228 CG2 ILE A 125 21.121 -21.721 -17.420 1.00 3.45 C ATOM 229 CD1 ILE A 125 18.405 -22.945 -18.067 1.00 61.54 C ATOM 0 H ILE A 125 18.267 -19.849 -19.938 1.00 34.30 H new ATOM 0 HA ILE A 125 19.069 -20.217 -17.123 1.00 73.02 H new ATOM 0 HB ILE A 125 20.904 -20.948 -19.395 1.00 42.41 H new ATOM 0 HG12 ILE A 125 18.847 -22.109 -19.979 1.00 64.31 H new ATOM 0 HG13 ILE A 125 20.044 -23.250 -19.399 1.00 64.31 H new ATOM 0 HG21 ILE A 125 21.745 -22.558 -17.732 1.00 3.45 H new ATOM 0 HG22 ILE A 125 21.756 -20.895 -17.101 1.00 3.45 H new ATOM 0 HG23 ILE A 125 20.486 -22.032 -16.591 1.00 3.45 H new ATOM 0 HD11 ILE A 125 17.829 -23.766 -18.495 1.00 61.54 H new ATOM 0 HD12 ILE A 125 18.944 -23.299 -17.188 1.00 61.54 H new ATOM 0 HD13 ILE A 125 17.729 -22.140 -17.778 1.00 61.54 H new ATOM 241 N CYS A 126 21.057 -18.549 -17.371 1.00 61.44 N ATOM 242 CA CYS A 126 21.881 -17.347 -17.396 1.00 23.10 C ATOM 243 C CYS A 126 23.325 -17.684 -17.759 1.00 34.30 C ATOM 244 O CYS A 126 23.856 -18.713 -17.342 1.00 40.43 O ATOM 245 CB CYS A 126 21.836 -16.645 -16.038 1.00 3.35 C ATOM 246 SG CYS A 126 23.036 -15.285 -15.863 1.00 62.22 S ATOM 0 H CYS A 126 21.238 -19.168 -16.581 1.00 61.44 H new ATOM 0 HA CYS A 126 21.480 -16.678 -18.157 1.00 23.10 H new ATOM 0 HB2 CYS A 126 20.832 -16.252 -15.877 1.00 3.35 H new ATOM 0 HB3 CYS A 126 22.020 -17.380 -15.255 1.00 3.35 H new ATOM 251 N ASN A 127 23.953 -16.810 -18.538 1.00 53.22 N ATOM 252 CA ASN A 127 25.334 -17.015 -18.958 1.00 4.51 C ATOM 253 C ASN A 127 26.289 -16.176 -18.114 1.00 2.23 C ATOM 254 O ASN A 127 25.863 -15.432 -17.230 1.00 62.31 O ATOM 255 CB ASN A 127 25.498 -16.660 -20.437 1.00 52.32 C ATOM 256 CG ASN A 127 24.573 -17.464 -21.330 1.00 62.23 C ATOM 257 OD1 ASN A 127 24.961 -18.499 -21.873 1.00 3.21 O ATOM 258 ND2 ASN A 127 23.342 -16.991 -21.487 1.00 4.21 N ATOM 0 H ASN A 127 23.528 -15.953 -18.891 1.00 53.22 H new ATOM 0 HA ASN A 127 25.578 -18.068 -18.815 1.00 4.51 H new ATOM 0 HB2 ASN A 127 25.301 -15.597 -20.577 1.00 52.32 H new ATOM 0 HB3 ASN A 127 26.531 -16.835 -20.737 1.00 52.32 H new ATOM 0 HD21 ASN A 127 22.675 -17.489 -22.077 1.00 4.21 H new ATOM 0 HD22 ASN A 127 23.063 -16.129 -21.018 1.00 4.21 H new ATOM 265 N SER A 128 27.583 -16.301 -18.393 1.00 53.20 N ATOM 266 CA SER A 128 28.599 -15.557 -17.658 1.00 32.03 C ATOM 267 C SER A 128 28.402 -14.054 -17.829 1.00 44.23 C ATOM 268 O SER A 128 27.656 -13.610 -18.702 1.00 13.23 O ATOM 269 CB SER A 128 29.997 -15.957 -18.132 1.00 22.52 C ATOM 270 OG SER A 128 30.329 -17.264 -17.695 1.00 2.13 O ATOM 0 H SER A 128 27.952 -16.911 -19.123 1.00 53.20 H new ATOM 0 HA SER A 128 28.498 -15.801 -16.600 1.00 32.03 H new ATOM 0 HB2 SER A 128 30.042 -15.911 -19.220 1.00 22.52 H new ATOM 0 HB3 SER A 128 30.731 -15.246 -17.752 1.00 22.52 H new ATOM 0 HG SER A 128 31.227 -17.497 -18.012 1.00 2.13 H new ATOM 276 N ASP A 129 29.078 -13.276 -16.991 1.00 12.13 N ATOM 277 CA ASP A 129 28.979 -11.822 -17.049 1.00 25.11 C ATOM 278 C ASP A 129 29.281 -11.313 -18.455 1.00 2.11 C ATOM 279 O ASP A 129 28.629 -10.391 -18.945 1.00 63.52 O ATOM 280 CB ASP A 129 29.941 -11.184 -16.045 1.00 14.02 C ATOM 281 CG ASP A 129 31.363 -11.681 -16.209 1.00 45.11 C ATOM 282 OD1 ASP A 129 32.099 -11.108 -17.039 1.00 43.04 O ATOM 283 OD2 ASP A 129 31.741 -12.643 -15.508 1.00 30.20 O ATOM 0 H ASP A 129 29.700 -13.628 -16.263 1.00 12.13 H new ATOM 0 HA ASP A 129 27.958 -11.541 -16.791 1.00 25.11 H new ATOM 0 HB2 ASP A 129 29.922 -10.101 -16.166 1.00 14.02 H new ATOM 0 HB3 ASP A 129 29.599 -11.398 -15.032 1.00 14.02 H new ATOM 288 N ALA A 130 30.274 -11.919 -19.098 1.00 3.43 N ATOM 289 CA ALA A 130 30.662 -11.527 -20.447 1.00 72.32 C ATOM 290 C ALA A 130 29.503 -11.700 -21.423 1.00 13.40 C ATOM 291 O ALA A 130 29.500 -11.117 -22.507 1.00 53.53 O ATOM 292 CB ALA A 130 31.866 -12.337 -20.906 1.00 54.23 C ATOM 0 H ALA A 130 30.824 -12.683 -18.706 1.00 3.43 H new ATOM 0 HA ALA A 130 30.933 -10.471 -20.429 1.00 72.32 H new ATOM 0 HB1 ALA A 130 32.145 -12.034 -21.915 1.00 54.23 H new ATOM 0 HB2 ALA A 130 32.702 -12.161 -20.230 1.00 54.23 H new ATOM 0 HB3 ALA A 130 31.614 -13.397 -20.902 1.00 54.23 H new ATOM 298 N ASP A 131 28.521 -12.504 -21.031 1.00 54.14 N ATOM 299 CA ASP A 131 27.355 -12.753 -21.872 1.00 1.32 C ATOM 300 C ASP A 131 26.091 -12.189 -21.229 1.00 65.31 C ATOM 301 O ASP A 131 25.014 -12.219 -21.824 1.00 15.13 O ATOM 302 CB ASP A 131 27.190 -14.253 -22.121 1.00 2.31 C ATOM 303 CG ASP A 131 26.062 -14.559 -23.086 1.00 51.21 C ATOM 304 OD1 ASP A 131 24.907 -14.681 -22.628 1.00 53.21 O ATOM 305 OD2 ASP A 131 26.334 -14.677 -24.299 1.00 62.23 O ATOM 0 H ASP A 131 28.509 -12.994 -20.137 1.00 54.14 H new ATOM 0 HA ASP A 131 27.511 -12.250 -22.826 1.00 1.32 H new ATOM 0 HB2 ASP A 131 28.122 -14.657 -22.516 1.00 2.31 H new ATOM 0 HB3 ASP A 131 27.000 -14.757 -21.173 1.00 2.31 H new ATOM 310 N CYS A 132 26.231 -11.677 -20.011 1.00 22.30 N ATOM 311 CA CYS A 132 25.102 -11.108 -19.286 1.00 33.32 C ATOM 312 C CYS A 132 25.323 -9.623 -19.013 1.00 31.32 C ATOM 313 O CYS A 132 26.354 -9.227 -18.468 1.00 51.14 O ATOM 314 CB CYS A 132 24.887 -11.854 -17.967 1.00 63.13 C ATOM 315 SG CYS A 132 23.166 -11.830 -17.371 1.00 21.50 S ATOM 0 H CYS A 132 27.116 -11.645 -19.505 1.00 22.30 H new ATOM 0 HA CYS A 132 24.212 -11.217 -19.906 1.00 33.32 H new ATOM 0 HB2 CYS A 132 25.202 -12.890 -18.092 1.00 63.13 H new ATOM 0 HB3 CYS A 132 25.530 -11.415 -17.205 1.00 63.13 H new ATOM 320 N THR A 133 24.347 -8.805 -19.395 1.00 30.23 N ATOM 321 CA THR A 133 24.434 -7.365 -19.192 1.00 43.55 C ATOM 322 C THR A 133 23.143 -6.813 -18.599 1.00 21.43 C ATOM 323 O THR A 133 22.051 -7.330 -18.837 1.00 65.33 O ATOM 324 CB THR A 133 24.734 -6.629 -20.512 1.00 71.24 C ATOM 325 OG1 THR A 133 24.182 -7.357 -21.615 1.00 33.00 O ATOM 326 CG2 THR A 133 26.233 -6.460 -20.710 1.00 32.15 C ATOM 0 H THR A 133 23.487 -9.116 -19.847 1.00 30.23 H new ATOM 0 HA THR A 133 25.253 -7.194 -18.494 1.00 43.55 H new ATOM 0 HB THR A 133 24.276 -5.641 -20.463 1.00 71.24 H new ATOM 0 HG1 THR A 133 24.375 -6.882 -22.450 1.00 33.00 H new ATOM 0 HG21 THR A 133 26.419 -5.938 -21.648 1.00 32.15 H new ATOM 0 HG22 THR A 133 26.646 -5.881 -19.884 1.00 32.15 H new ATOM 0 HG23 THR A 133 26.709 -7.440 -20.739 1.00 32.15 H new ATOM 334 N PRO A 134 23.267 -5.738 -17.806 1.00 71.14 N ATOM 335 CA PRO A 134 22.119 -5.093 -17.163 1.00 12.50 C ATOM 336 C PRO A 134 21.222 -4.373 -18.165 1.00 31.15 C ATOM 337 O PRO A 134 21.491 -4.372 -19.365 1.00 4.11 O ATOM 338 CB PRO A 134 22.767 -4.088 -16.207 1.00 53.31 C ATOM 339 CG PRO A 134 24.098 -3.797 -16.809 1.00 0.41 C ATOM 340 CD PRO A 134 24.537 -5.070 -17.478 1.00 42.52 C ATOM 0 HA PRO A 134 21.470 -5.815 -16.668 1.00 12.50 H new ATOM 0 HB2 PRO A 134 22.166 -3.183 -16.118 1.00 53.31 H new ATOM 0 HB3 PRO A 134 22.868 -4.504 -15.204 1.00 53.31 H new ATOM 0 HG2 PRO A 134 24.031 -2.981 -17.529 1.00 0.41 H new ATOM 0 HG3 PRO A 134 24.813 -3.491 -16.046 1.00 0.41 H new ATOM 0 HD2 PRO A 134 25.129 -4.871 -18.371 1.00 42.52 H new ATOM 0 HD3 PRO A 134 25.153 -5.680 -16.817 1.00 42.52 H new ATOM 348 N GLY A 135 20.154 -3.761 -17.662 1.00 54.05 N ATOM 349 CA GLY A 135 19.233 -3.046 -18.527 1.00 45.15 C ATOM 350 C GLY A 135 18.216 -3.963 -19.176 1.00 62.35 C ATOM 351 O GLY A 135 17.746 -4.918 -18.557 1.00 4.42 O ATOM 0 H GLY A 135 19.910 -3.747 -16.672 1.00 54.05 H new ATOM 0 HA2 GLY A 135 18.712 -2.284 -17.947 1.00 45.15 H new ATOM 0 HA3 GLY A 135 19.796 -2.527 -19.302 1.00 45.15 H new ATOM 447 N GLY A 143 11.232 -4.633 -14.996 1.00 13.14 N ATOM 448 CA GLY A 143 12.371 -4.288 -14.166 1.00 45.23 C ATOM 449 C GLY A 143 13.597 -3.931 -14.984 1.00 53.22 C ATOM 450 O GLY A 143 13.482 -3.399 -16.089 1.00 33.52 O ATOM 0 HA2 GLY A 143 12.108 -3.447 -13.525 1.00 45.23 H new ATOM 0 HA3 GLY A 143 12.607 -5.127 -13.511 1.00 45.23 H new ATOM 454 N VAL A 144 14.775 -4.222 -14.441 1.00 15.42 N ATOM 455 CA VAL A 144 16.027 -3.927 -15.127 1.00 73.42 C ATOM 456 C VAL A 144 17.111 -4.928 -14.745 1.00 23.31 C ATOM 457 O VAL A 144 17.458 -5.066 -13.572 1.00 40.52 O ATOM 458 CB VAL A 144 16.521 -2.504 -14.807 1.00 62.24 C ATOM 459 CG1 VAL A 144 17.849 -2.232 -15.498 1.00 21.43 C ATOM 460 CG2 VAL A 144 15.478 -1.474 -15.215 1.00 24.31 C ATOM 0 H VAL A 144 14.888 -4.662 -13.528 1.00 15.42 H new ATOM 0 HA VAL A 144 15.828 -4.002 -16.196 1.00 73.42 H new ATOM 0 HB VAL A 144 16.675 -2.425 -13.731 1.00 62.24 H new ATOM 0 HG11 VAL A 144 18.183 -1.222 -15.260 1.00 21.43 H new ATOM 0 HG12 VAL A 144 18.593 -2.950 -15.153 1.00 21.43 H new ATOM 0 HG13 VAL A 144 17.724 -2.329 -16.577 1.00 21.43 H new ATOM 0 HG21 VAL A 144 15.844 -0.474 -14.982 1.00 24.31 H new ATOM 0 HG22 VAL A 144 15.290 -1.551 -16.286 1.00 24.31 H new ATOM 0 HG23 VAL A 144 14.552 -1.658 -14.670 1.00 24.31 H new ATOM 470 N ALA A 145 17.644 -5.625 -15.743 1.00 71.52 N ATOM 471 CA ALA A 145 18.691 -6.612 -15.512 1.00 64.42 C ATOM 472 C ALA A 145 19.875 -5.995 -14.775 1.00 14.41 C ATOM 473 O ALA A 145 20.125 -4.793 -14.877 1.00 63.21 O ATOM 474 CB ALA A 145 19.147 -7.217 -16.832 1.00 31.31 C ATOM 0 H ALA A 145 17.368 -5.524 -16.720 1.00 71.52 H new ATOM 0 HA ALA A 145 18.278 -7.402 -14.885 1.00 64.42 H new ATOM 0 HB1 ALA A 145 19.929 -7.952 -16.644 1.00 31.31 H new ATOM 0 HB2 ALA A 145 18.302 -7.702 -17.321 1.00 31.31 H new ATOM 0 HB3 ALA A 145 19.537 -6.430 -17.478 1.00 31.31 H new ATOM 480 N THR A 146 20.600 -6.823 -14.030 1.00 61.33 N ATOM 481 CA THR A 146 21.756 -6.358 -13.274 1.00 71.21 C ATOM 482 C THR A 146 23.056 -6.685 -14.000 1.00 52.12 C ATOM 483 O THR A 146 24.044 -5.962 -13.880 1.00 70.01 O ATOM 484 CB THR A 146 21.796 -6.984 -11.867 1.00 72.22 C ATOM 485 OG1 THR A 146 20.604 -6.649 -11.148 1.00 73.20 O ATOM 486 CG2 THR A 146 23.013 -6.501 -11.094 1.00 43.50 C ATOM 0 H THR A 146 20.407 -7.820 -13.934 1.00 61.33 H new ATOM 0 HA THR A 146 21.658 -5.277 -13.180 1.00 71.21 H new ATOM 0 HB THR A 146 21.862 -8.066 -11.977 1.00 72.22 H new ATOM 0 HG1 THR A 146 20.703 -6.913 -10.209 1.00 73.20 H new ATOM 0 HG21 THR A 146 23.019 -6.957 -10.104 1.00 43.50 H new ATOM 0 HG22 THR A 146 23.920 -6.783 -11.629 1.00 43.50 H new ATOM 0 HG23 THR A 146 22.974 -5.416 -10.994 1.00 43.50 H new ATOM 494 N GLY A 147 23.048 -7.779 -14.755 1.00 73.34 N ATOM 495 CA GLY A 147 24.232 -8.182 -15.491 1.00 23.04 C ATOM 496 C GLY A 147 25.047 -9.225 -14.751 1.00 72.15 C ATOM 497 O GLY A 147 25.713 -10.055 -15.370 1.00 74.43 O ATOM 0 H GLY A 147 22.242 -8.394 -14.870 1.00 73.34 H new ATOM 0 HA2 GLY A 147 23.935 -8.579 -16.462 1.00 23.04 H new ATOM 0 HA3 GLY A 147 24.854 -7.307 -15.681 1.00 23.04 H new ATOM 501 N ARG A 148 24.996 -9.182 -13.424 1.00 74.22 N ATOM 502 CA ARG A 148 25.737 -10.129 -12.600 1.00 32.10 C ATOM 503 C ARG A 148 25.025 -11.478 -12.548 1.00 11.25 C ATOM 504 O ARG A 148 23.869 -11.566 -12.131 1.00 64.21 O ATOM 505 CB ARG A 148 25.912 -9.577 -11.184 1.00 31.51 C ATOM 506 CG ARG A 148 26.659 -10.517 -10.252 1.00 62.41 C ATOM 507 CD ARG A 148 26.835 -9.909 -8.870 1.00 15.53 C ATOM 508 NE ARG A 148 27.176 -10.915 -7.868 1.00 11.32 N ATOM 509 CZ ARG A 148 27.041 -10.725 -6.560 1.00 11.20 C ATOM 510 NH1 ARG A 148 26.574 -9.573 -6.099 1.00 11.13 N ATOM 511 NH2 ARG A 148 27.373 -11.689 -5.711 1.00 0.34 N ATOM 0 H ARG A 148 24.449 -8.501 -12.896 1.00 74.22 H new ATOM 0 HA ARG A 148 26.719 -10.274 -13.050 1.00 32.10 H new ATOM 0 HB2 ARG A 148 26.448 -8.629 -11.236 1.00 31.51 H new ATOM 0 HB3 ARG A 148 24.930 -9.365 -10.762 1.00 31.51 H new ATOM 0 HG2 ARG A 148 26.115 -11.458 -10.170 1.00 62.41 H new ATOM 0 HG3 ARG A 148 27.636 -10.750 -10.675 1.00 62.41 H new ATOM 0 HD2 ARG A 148 27.618 -9.152 -8.904 1.00 15.53 H new ATOM 0 HD3 ARG A 148 25.915 -9.403 -8.577 1.00 15.53 H new ATOM 0 HE ARG A 148 27.538 -11.813 -8.190 1.00 11.32 H new ATOM 0 HH11 ARG A 148 26.317 -8.830 -6.749 1.00 11.13 H new ATOM 0 HH12 ARG A 148 26.471 -9.430 -5.094 1.00 11.13 H new ATOM 0 HH21 ARG A 148 27.732 -12.577 -6.062 1.00 0.34 H new ATOM 0 HH22 ARG A 148 27.269 -11.542 -4.707 1.00 0.34 H new ATOM 525 N CYS A 149 25.722 -12.526 -12.973 1.00 40.12 N ATOM 526 CA CYS A 149 25.158 -13.870 -12.976 1.00 73.12 C ATOM 527 C CYS A 149 25.666 -14.676 -11.784 1.00 71.13 C ATOM 528 O CYS A 149 26.840 -14.595 -11.421 1.00 74.54 O ATOM 529 CB CYS A 149 25.509 -14.590 -14.280 1.00 34.23 C ATOM 530 SG CYS A 149 24.528 -16.095 -14.585 1.00 41.22 S ATOM 0 H CYS A 149 26.679 -12.470 -13.320 1.00 40.12 H new ATOM 0 HA CYS A 149 24.074 -13.783 -12.897 1.00 73.12 H new ATOM 0 HB2 CYS A 149 25.367 -13.901 -15.113 1.00 34.23 H new ATOM 0 HB3 CYS A 149 26.566 -14.855 -14.263 1.00 34.23 H new ATOM 535 N VAL A 150 24.774 -15.454 -11.179 1.00 53.21 N ATOM 536 CA VAL A 150 25.131 -16.276 -10.029 1.00 41.23 C ATOM 537 C VAL A 150 24.247 -17.515 -9.944 1.00 24.13 C ATOM 538 O VAL A 150 23.121 -17.540 -10.441 1.00 22.44 O ATOM 539 CB VAL A 150 25.013 -15.483 -8.714 1.00 42.11 C ATOM 540 CG1 VAL A 150 26.163 -14.496 -8.580 1.00 70.14 C ATOM 541 CG2 VAL A 150 23.673 -14.766 -8.643 1.00 44.11 C ATOM 0 H VAL A 150 23.798 -15.532 -11.466 1.00 53.21 H new ATOM 0 HA VAL A 150 26.168 -16.582 -10.168 1.00 41.23 H new ATOM 0 HB VAL A 150 25.069 -16.184 -7.881 1.00 42.11 H new ATOM 0 HG11 VAL A 150 26.062 -13.945 -7.645 1.00 70.14 H new ATOM 0 HG12 VAL A 150 27.109 -15.037 -8.582 1.00 70.14 H new ATOM 0 HG13 VAL A 150 26.142 -13.798 -9.417 1.00 70.14 H new ATOM 0 HG21 VAL A 150 23.607 -14.211 -7.707 1.00 44.11 H new ATOM 0 HG22 VAL A 150 23.585 -14.076 -9.482 1.00 44.11 H new ATOM 0 HG23 VAL A 150 22.866 -15.497 -8.689 1.00 44.11 H new ATOM 551 N PRO A 151 24.768 -18.569 -9.298 1.00 74.40 N ATOM 552 CA PRO A 151 24.042 -19.832 -9.131 1.00 21.12 C ATOM 553 C PRO A 151 22.864 -19.701 -8.171 1.00 64.31 C ATOM 554 O PRO A 151 23.047 -19.622 -6.956 1.00 53.41 O ATOM 555 CB PRO A 151 25.100 -20.775 -8.553 1.00 63.43 C ATOM 556 CG PRO A 151 26.077 -19.879 -7.875 1.00 3.33 C ATOM 557 CD PRO A 151 26.104 -18.610 -8.681 1.00 0.30 C ATOM 0 HA PRO A 151 23.607 -20.179 -10.068 1.00 21.12 H new ATOM 0 HB2 PRO A 151 24.658 -21.482 -7.851 1.00 63.43 H new ATOM 0 HB3 PRO A 151 25.579 -21.361 -9.337 1.00 63.43 H new ATOM 0 HG2 PRO A 151 25.776 -19.681 -6.846 1.00 3.33 H new ATOM 0 HG3 PRO A 151 27.065 -20.338 -7.836 1.00 3.33 H new ATOM 0 HD2 PRO A 151 26.283 -17.738 -8.052 1.00 0.30 H new ATOM 0 HD3 PRO A 151 26.893 -18.628 -9.433 1.00 0.30 H new ATOM 565 N PHE A 152 21.656 -19.680 -8.724 1.00 21.31 N ATOM 566 CA PHE A 152 20.448 -19.559 -7.916 1.00 51.43 C ATOM 567 C PHE A 152 20.435 -20.597 -6.798 1.00 15.51 C ATOM 568 O PHE A 152 20.331 -20.255 -5.621 1.00 1.43 O ATOM 569 CB PHE A 152 19.204 -19.721 -8.793 1.00 45.00 C ATOM 570 CG PHE A 152 17.918 -19.698 -8.019 1.00 12.54 C ATOM 571 CD1 PHE A 152 17.400 -20.862 -7.474 1.00 3.42 C ATOM 572 CD2 PHE A 152 17.225 -18.511 -7.836 1.00 24.32 C ATOM 573 CE1 PHE A 152 16.217 -20.843 -6.760 1.00 74.53 C ATOM 574 CE2 PHE A 152 16.042 -18.487 -7.123 1.00 13.11 C ATOM 575 CZ PHE A 152 15.536 -19.655 -6.586 1.00 10.54 C ATOM 0 H PHE A 152 21.487 -19.745 -9.728 1.00 21.31 H new ATOM 0 HA PHE A 152 20.440 -18.566 -7.466 1.00 51.43 H new ATOM 0 HB2 PHE A 152 19.186 -18.923 -9.535 1.00 45.00 H new ATOM 0 HB3 PHE A 152 19.274 -20.662 -9.338 1.00 45.00 H new ATOM 0 HD1 PHE A 152 17.927 -21.795 -7.609 1.00 3.42 H new ATOM 0 HD2 PHE A 152 17.614 -17.595 -8.256 1.00 24.32 H new ATOM 0 HE1 PHE A 152 15.826 -21.757 -6.338 1.00 74.53 H new ATOM 0 HE2 PHE A 152 15.513 -17.556 -6.985 1.00 13.11 H new ATOM 0 HZ PHE A 152 14.610 -19.639 -6.031 1.00 10.54 H new ATOM 585 N ASN A 153 20.539 -21.866 -7.176 1.00 24.41 N ATOM 586 CA ASN A 153 20.538 -22.955 -6.206 1.00 22.33 C ATOM 587 C ASN A 153 21.888 -23.666 -6.184 1.00 3.55 C ATOM 588 O ASN A 153 22.681 -23.483 -5.260 1.00 71.12 O ATOM 589 CB ASN A 153 19.428 -23.956 -6.533 1.00 21.24 C ATOM 590 CG ASN A 153 19.533 -25.225 -5.708 1.00 55.05 C ATOM 591 OD1 ASN A 153 19.754 -26.310 -6.245 1.00 63.52 O ATOM 592 ND2 ASN A 153 19.372 -25.093 -4.397 1.00 24.12 N ATOM 0 H ASN A 153 20.625 -22.166 -8.147 1.00 24.41 H new ATOM 0 HA ASN A 153 20.356 -22.529 -5.220 1.00 22.33 H new ATOM 0 HB2 ASN A 153 18.459 -23.490 -6.356 1.00 21.24 H new ATOM 0 HB3 ASN A 153 19.472 -24.210 -7.592 1.00 21.24 H new ATOM 0 HD21 ASN A 153 19.430 -25.911 -3.791 1.00 24.12 H new ATOM 0 HD22 ASN A 153 19.190 -24.173 -3.996 1.00 24.12 H new ATOM 599 N GLU A 154 22.142 -24.475 -7.207 1.00 50.01 N ATOM 600 CA GLU A 154 23.396 -25.213 -7.304 1.00 41.52 C ATOM 601 C GLU A 154 23.662 -25.647 -8.743 1.00 11.22 C ATOM 602 O GLU A 154 24.568 -25.134 -9.400 1.00 21.42 O ATOM 603 CB GLU A 154 23.366 -26.437 -6.388 1.00 34.35 C ATOM 604 CG GLU A 154 23.791 -26.140 -4.960 1.00 3.43 C ATOM 605 CD GLU A 154 24.175 -27.390 -4.193 1.00 24.03 C ATOM 606 OE1 GLU A 154 25.293 -27.901 -4.415 1.00 21.45 O ATOM 607 OE2 GLU A 154 23.359 -27.857 -3.371 1.00 61.35 O ATOM 0 H GLU A 154 21.497 -24.636 -7.980 1.00 50.01 H new ATOM 0 HA GLU A 154 24.202 -24.551 -6.987 1.00 41.52 H new ATOM 0 HB2 GLU A 154 22.357 -26.849 -6.379 1.00 34.35 H new ATOM 0 HB3 GLU A 154 24.020 -27.205 -6.800 1.00 34.35 H new ATOM 0 HG2 GLU A 154 24.636 -25.452 -4.972 1.00 3.43 H new ATOM 0 HG3 GLU A 154 22.977 -25.635 -4.440 1.00 3.43 H new ATOM 614 N SER A 155 22.865 -26.595 -9.225 1.00 64.31 N ATOM 615 CA SER A 155 23.017 -27.102 -10.584 1.00 34.41 C ATOM 616 C SER A 155 22.529 -26.077 -11.604 1.00 25.44 C ATOM 617 O SER A 155 22.962 -26.077 -12.756 1.00 63.02 O ATOM 618 CB SER A 155 22.244 -28.412 -10.751 1.00 75.00 C ATOM 619 OG SER A 155 20.948 -28.316 -10.184 1.00 43.54 O ATOM 0 H SER A 155 22.108 -27.027 -8.695 1.00 64.31 H new ATOM 0 HA SER A 155 24.076 -27.288 -10.760 1.00 34.41 H new ATOM 0 HB2 SER A 155 22.164 -28.658 -11.810 1.00 75.00 H new ATOM 0 HB3 SER A 155 22.793 -29.225 -10.276 1.00 75.00 H new ATOM 0 HG SER A 155 20.474 -29.165 -10.305 1.00 43.54 H new ATOM 625 N VAL A 156 21.625 -25.205 -11.170 1.00 43.44 N ATOM 626 CA VAL A 156 21.079 -24.173 -12.044 1.00 11.22 C ATOM 627 C VAL A 156 21.649 -22.802 -11.699 1.00 5.14 C ATOM 628 O VAL A 156 21.994 -22.532 -10.548 1.00 13.13 O ATOM 629 CB VAL A 156 19.543 -24.115 -11.952 1.00 35.44 C ATOM 630 CG1 VAL A 156 19.107 -23.675 -10.562 1.00 52.35 C ATOM 631 CG2 VAL A 156 18.980 -23.185 -13.016 1.00 32.41 C ATOM 0 H VAL A 156 21.255 -25.192 -10.219 1.00 43.44 H new ATOM 0 HA VAL A 156 21.366 -24.437 -13.062 1.00 11.22 H new ATOM 0 HB VAL A 156 19.148 -25.115 -12.131 1.00 35.44 H new ATOM 0 HG11 VAL A 156 18.019 -23.640 -10.516 1.00 52.35 H new ATOM 0 HG12 VAL A 156 19.479 -24.384 -9.823 1.00 52.35 H new ATOM 0 HG13 VAL A 156 19.511 -22.685 -10.350 1.00 52.35 H new ATOM 0 HG21 VAL A 156 17.893 -23.156 -12.936 1.00 32.41 H new ATOM 0 HG22 VAL A 156 19.381 -22.182 -12.872 1.00 32.41 H new ATOM 0 HG23 VAL A 156 19.262 -23.550 -14.004 1.00 32.41 H new ATOM 641 N LYS A 157 21.747 -21.938 -12.703 1.00 52.32 N ATOM 642 CA LYS A 157 22.274 -20.592 -12.507 1.00 71.44 C ATOM 643 C LYS A 157 21.412 -19.560 -13.228 1.00 21.25 C ATOM 644 O LYS A 157 20.914 -19.809 -14.326 1.00 32.11 O ATOM 645 CB LYS A 157 23.716 -20.509 -13.012 1.00 24.22 C ATOM 646 CG LYS A 157 24.657 -21.488 -12.330 1.00 75.21 C ATOM 647 CD LYS A 157 25.787 -21.911 -13.253 1.00 50.34 C ATOM 648 CE LYS A 157 26.673 -20.732 -13.626 1.00 55.41 C ATOM 649 NZ LYS A 157 27.864 -21.159 -14.410 1.00 41.14 N ATOM 0 H LYS A 157 21.468 -22.146 -13.662 1.00 52.32 H new ATOM 0 HA LYS A 157 22.256 -20.373 -11.439 1.00 71.44 H new ATOM 0 HB2 LYS A 157 23.727 -20.695 -14.086 1.00 24.22 H new ATOM 0 HB3 LYS A 157 24.087 -19.495 -12.860 1.00 24.22 H new ATOM 0 HG2 LYS A 157 25.072 -21.030 -11.432 1.00 75.21 H new ATOM 0 HG3 LYS A 157 24.099 -22.368 -12.010 1.00 75.21 H new ATOM 0 HD2 LYS A 157 26.388 -22.679 -12.766 1.00 50.34 H new ATOM 0 HD3 LYS A 157 25.372 -22.356 -14.157 1.00 50.34 H new ATOM 0 HE2 LYS A 157 26.095 -20.013 -14.206 1.00 55.41 H new ATOM 0 HE3 LYS A 157 26.999 -20.222 -12.720 1.00 55.41 H new ATOM 0 HZ1 LYS A 157 28.442 -20.327 -14.644 1.00 41.14 H new ATOM 0 HZ2 LYS A 157 28.430 -21.826 -13.847 1.00 41.14 H new ATOM 0 HZ3 LYS A 157 27.554 -21.623 -15.287 1.00 41.14 H new ATOM 663 N THR A 158 21.241 -18.399 -12.603 1.00 31.22 N ATOM 664 CA THR A 158 20.440 -17.329 -13.184 1.00 70.31 C ATOM 665 C THR A 158 21.163 -15.990 -13.095 1.00 21.43 C ATOM 666 O THR A 158 22.257 -15.900 -12.537 1.00 65.14 O ATOM 667 CB THR A 158 19.072 -17.209 -12.486 1.00 2.20 C ATOM 668 OG1 THR A 158 19.256 -17.014 -11.079 1.00 54.03 O ATOM 669 CG2 THR A 158 18.231 -18.454 -12.725 1.00 50.53 C ATOM 0 H THR A 158 21.647 -18.176 -11.694 1.00 31.22 H new ATOM 0 HA THR A 158 20.284 -17.585 -14.232 1.00 70.31 H new ATOM 0 HB THR A 158 18.548 -16.350 -12.906 1.00 2.20 H new ATOM 0 HG1 THR A 158 18.394 -16.806 -10.662 1.00 54.03 H new ATOM 0 HG21 THR A 158 17.270 -18.346 -12.222 1.00 50.53 H new ATOM 0 HG22 THR A 158 18.068 -18.583 -13.795 1.00 50.53 H new ATOM 0 HG23 THR A 158 18.751 -19.326 -12.329 1.00 50.53 H new ATOM 677 N CYS A 159 20.545 -14.951 -13.646 1.00 70.42 N ATOM 678 CA CYS A 159 21.129 -13.616 -13.629 1.00 3.12 C ATOM 679 C CYS A 159 20.339 -12.689 -12.710 1.00 5.54 C ATOM 680 O CYS A 159 19.111 -12.744 -12.663 1.00 22.32 O ATOM 681 CB CYS A 159 21.170 -13.036 -15.044 1.00 0.21 C ATOM 682 SG CYS A 159 22.852 -12.816 -15.709 1.00 55.22 S ATOM 0 H CYS A 159 19.639 -15.008 -14.110 1.00 70.42 H new ATOM 0 HA CYS A 159 22.147 -13.697 -13.247 1.00 3.12 H new ATOM 0 HB2 CYS A 159 20.610 -13.692 -15.710 1.00 0.21 H new ATOM 0 HB3 CYS A 159 20.661 -12.072 -15.045 1.00 0.21 H new ATOM 687 N GLU A 160 21.054 -11.837 -11.981 1.00 45.11 N ATOM 688 CA GLU A 160 20.420 -10.898 -11.063 1.00 61.21 C ATOM 689 C GLU A 160 19.715 -9.782 -11.828 1.00 14.10 C ATOM 690 O GLU A 160 20.182 -9.342 -12.878 1.00 62.25 O ATOM 691 CB GLU A 160 21.458 -10.302 -10.110 1.00 42.55 C ATOM 692 CG GLU A 160 20.855 -9.696 -8.855 1.00 14.34 C ATOM 693 CD GLU A 160 21.903 -9.327 -7.823 1.00 11.02 C ATOM 694 OE1 GLU A 160 22.548 -8.270 -7.983 1.00 14.32 O ATOM 695 OE2 GLU A 160 22.078 -10.097 -6.855 1.00 10.42 O ATOM 0 H GLU A 160 22.072 -11.778 -12.009 1.00 45.11 H new ATOM 0 HA GLU A 160 19.676 -11.443 -10.482 1.00 61.21 H new ATOM 0 HB2 GLU A 160 22.165 -11.081 -9.824 1.00 42.55 H new ATOM 0 HB3 GLU A 160 22.025 -9.535 -10.637 1.00 42.55 H new ATOM 0 HG2 GLU A 160 20.286 -8.806 -9.123 1.00 14.34 H new ATOM 0 HG3 GLU A 160 20.152 -10.404 -8.416 1.00 14.34 H new ATOM 702 N VAL A 161 18.585 -9.328 -11.293 1.00 64.12 N ATOM 703 CA VAL A 161 17.815 -8.263 -11.924 1.00 32.11 C ATOM 704 C VAL A 161 17.168 -7.360 -10.879 1.00 61.25 C ATOM 705 O VAL A 161 17.255 -7.621 -9.680 1.00 13.31 O ATOM 706 CB VAL A 161 16.718 -8.833 -12.844 1.00 4.34 C ATOM 707 CG1 VAL A 161 17.323 -9.771 -13.877 1.00 54.13 C ATOM 708 CG2 VAL A 161 15.653 -9.544 -12.024 1.00 73.50 C ATOM 0 H VAL A 161 18.183 -9.681 -10.425 1.00 64.12 H new ATOM 0 HA VAL A 161 18.514 -7.679 -12.523 1.00 32.11 H new ATOM 0 HB VAL A 161 16.244 -8.006 -13.373 1.00 4.34 H new ATOM 0 HG11 VAL A 161 16.534 -10.164 -14.518 1.00 54.13 H new ATOM 0 HG12 VAL A 161 18.046 -9.226 -14.484 1.00 54.13 H new ATOM 0 HG13 VAL A 161 17.824 -10.596 -13.370 1.00 54.13 H new ATOM 0 HG21 VAL A 161 14.886 -9.940 -12.689 1.00 73.50 H new ATOM 0 HG22 VAL A 161 16.109 -10.363 -11.467 1.00 73.50 H new ATOM 0 HG23 VAL A 161 15.200 -8.839 -11.327 1.00 73.50 H new ATOM 718 N ALA A 162 16.519 -6.298 -11.344 1.00 43.52 N ATOM 719 CA ALA A 162 15.855 -5.357 -10.450 1.00 43.25 C ATOM 720 C ALA A 162 14.360 -5.287 -10.740 1.00 52.51 C ATOM 721 O ALA A 162 13.936 -4.676 -11.721 1.00 1.01 O ATOM 722 CB ALA A 162 16.484 -3.977 -10.575 1.00 4.02 C ATOM 0 H ALA A 162 16.439 -6.068 -12.334 1.00 43.52 H new ATOM 0 HA ALA A 162 15.984 -5.712 -9.428 1.00 43.25 H new ATOM 0 HB1 ALA A 162 15.979 -3.284 -9.902 1.00 4.02 H new ATOM 0 HB2 ALA A 162 17.540 -4.033 -10.311 1.00 4.02 H new ATOM 0 HB3 ALA A 162 16.384 -3.623 -11.601 1.00 4.02 H new ATOM 728 N ALA A 163 13.565 -5.916 -9.881 1.00 22.02 N ATOM 729 CA ALA A 163 12.117 -5.923 -10.044 1.00 72.42 C ATOM 730 C ALA A 163 11.413 -6.052 -8.697 1.00 50.55 C ATOM 731 O ALA A 163 12.052 -6.006 -7.646 1.00 53.02 O ATOM 732 CB ALA A 163 11.696 -7.054 -10.971 1.00 61.04 C ATOM 0 H ALA A 163 13.900 -6.428 -9.065 1.00 22.02 H new ATOM 0 HA ALA A 163 11.822 -4.973 -10.489 1.00 72.42 H new ATOM 0 HB1 ALA A 163 10.612 -7.047 -11.084 1.00 61.04 H new ATOM 0 HB2 ALA A 163 12.163 -6.918 -11.946 1.00 61.04 H new ATOM 0 HB3 ALA A 163 12.011 -8.008 -10.548 1.00 61.04 H new ATOM 738 N TRP A 164 10.095 -6.211 -8.737 1.00 62.10 N ATOM 739 CA TRP A 164 9.305 -6.345 -7.519 1.00 12.15 C ATOM 740 C TRP A 164 9.430 -7.750 -6.940 1.00 3.11 C ATOM 741 O TRP A 164 8.845 -8.701 -7.459 1.00 51.44 O ATOM 742 CB TRP A 164 7.836 -6.026 -7.801 1.00 51.23 C ATOM 743 CG TRP A 164 7.645 -4.792 -8.631 1.00 61.54 C ATOM 744 CD1 TRP A 164 7.541 -4.728 -9.992 1.00 23.04 C ATOM 745 CD2 TRP A 164 7.538 -3.447 -8.155 1.00 14.24 C ATOM 746 NE1 TRP A 164 7.376 -3.423 -10.389 1.00 73.21 N ATOM 747 CE2 TRP A 164 7.369 -2.618 -9.281 1.00 41.10 C ATOM 748 CE3 TRP A 164 7.565 -2.862 -6.886 1.00 0.51 C ATOM 749 CZ2 TRP A 164 7.230 -1.237 -9.174 1.00 44.44 C ATOM 750 CZ3 TRP A 164 7.428 -1.490 -6.782 1.00 34.42 C ATOM 751 CH2 TRP A 164 7.261 -0.690 -7.920 1.00 61.41 C ATOM 0 H TRP A 164 9.551 -6.250 -9.599 1.00 62.10 H new ATOM 0 HA TRP A 164 9.690 -5.635 -6.787 1.00 12.15 H new ATOM 0 HB2 TRP A 164 7.379 -6.873 -8.312 1.00 51.23 H new ATOM 0 HB3 TRP A 164 7.310 -5.904 -6.854 1.00 51.23 H new ATOM 0 HD1 TRP A 164 7.582 -5.578 -10.657 1.00 23.04 H new ATOM 0 HE1 TRP A 164 7.275 -3.105 -11.353 1.00 73.21 H new ATOM 0 HE3 TRP A 164 7.691 -3.471 -6.003 1.00 0.51 H new ATOM 0 HZ2 TRP A 164 7.102 -0.619 -10.050 1.00 44.44 H new ATOM 0 HZ3 TRP A 164 7.450 -1.027 -5.807 1.00 34.42 H new ATOM 0 HH2 TRP A 164 7.155 0.379 -7.805 1.00 61.41 H new ATOM 762 N CYS A 165 10.197 -7.875 -5.862 1.00 13.24 N ATOM 763 CA CYS A 165 10.399 -9.164 -5.212 1.00 64.20 C ATOM 764 C CYS A 165 10.768 -8.981 -3.743 1.00 13.05 C ATOM 765 O CYS A 165 11.322 -7.958 -3.338 1.00 74.44 O ATOM 766 CB CYS A 165 11.496 -9.953 -5.929 1.00 62.55 C ATOM 767 SG CYS A 165 13.157 -9.219 -5.785 1.00 12.33 S ATOM 0 H CYS A 165 10.689 -7.099 -5.420 1.00 13.24 H new ATOM 0 HA CYS A 165 9.464 -9.721 -5.267 1.00 64.20 H new ATOM 0 HB2 CYS A 165 11.522 -10.966 -5.527 1.00 62.55 H new ATOM 0 HB3 CYS A 165 11.238 -10.036 -6.985 1.00 62.55 H new