USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=10 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 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 38:sc= 0.00956 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -4:sc= 0.665 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0.0213 X(o=0.021,f=0) 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 161:sc= -0.354 USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 153:sc= -0.139 (180deg=-0.604) USER MOD Single : A 158 THR OG1 : rot 156:sc= -1.48 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.781 -1.087 -5.520 1.00 64.04 N ATOM 50 CA GLN A 113 11.398 -2.177 -6.267 1.00 43.24 C ATOM 51 C GLN A 113 12.653 -2.679 -5.561 1.00 62.01 C ATOM 52 O GLN A 113 13.455 -1.889 -5.063 1.00 65.25 O ATOM 53 CB GLN A 113 11.745 -1.719 -7.685 1.00 43.01 C ATOM 54 CG GLN A 113 12.804 -0.629 -7.730 1.00 65.55 C ATOM 55 CD GLN A 113 12.702 0.233 -8.973 1.00 61.32 C ATOM 56 OE1 GLN A 113 13.357 -0.032 -9.982 1.00 54.01 O ATOM 57 NE2 GLN A 113 11.878 1.271 -8.907 1.00 54.51 N ATOM 0 HA GLN A 113 10.682 -2.997 -6.322 1.00 43.24 H new ATOM 0 HB2 GLN A 113 12.094 -2.577 -8.260 1.00 43.01 H new ATOM 0 HB3 GLN A 113 10.840 -1.355 -8.172 1.00 43.01 H new ATOM 0 HG2 GLN A 113 12.708 0.002 -6.846 1.00 65.55 H new ATOM 0 HG3 GLN A 113 13.793 -1.086 -7.690 1.00 65.55 H new ATOM 0 HE21 GLN A 113 11.355 1.453 -8.051 1.00 54.51 H new ATOM 0 HE22 GLN A 113 11.768 1.887 -9.713 1.00 54.51 H new ATOM 66 N SER A 114 12.816 -3.998 -5.521 1.00 10.42 N ATOM 67 CA SER A 114 13.971 -4.606 -4.871 1.00 44.35 C ATOM 68 C SER A 114 14.791 -5.418 -5.870 1.00 12.21 C ATOM 69 O SER A 114 14.383 -5.611 -7.016 1.00 14.33 O ATOM 70 CB SER A 114 13.521 -5.501 -3.716 1.00 72.50 C ATOM 71 OG SER A 114 13.247 -4.737 -2.555 1.00 3.13 O ATOM 0 H SER A 114 12.163 -4.666 -5.931 1.00 10.42 H new ATOM 0 HA SER A 114 14.598 -3.806 -4.477 1.00 44.35 H new ATOM 0 HB2 SER A 114 12.630 -6.056 -4.008 1.00 72.50 H new ATOM 0 HB3 SER A 114 14.297 -6.235 -3.497 1.00 72.50 H new ATOM 0 HG SER A 114 12.960 -5.333 -1.832 1.00 3.13 H new ATOM 77 N THR A 115 15.951 -5.892 -5.427 1.00 31.33 N ATOM 78 CA THR A 115 16.829 -6.682 -6.280 1.00 25.52 C ATOM 79 C THR A 115 16.798 -8.155 -5.888 1.00 32.24 C ATOM 80 O THR A 115 16.740 -8.492 -4.705 1.00 22.24 O ATOM 81 CB THR A 115 18.283 -6.176 -6.212 1.00 74.01 C ATOM 82 OG1 THR A 115 19.130 -7.010 -7.010 1.00 31.52 O ATOM 83 CG2 THR A 115 18.784 -6.161 -4.776 1.00 0.10 C ATOM 0 H THR A 115 16.304 -5.742 -4.482 1.00 31.33 H new ATOM 0 HA THR A 115 16.460 -6.572 -7.300 1.00 25.52 H new ATOM 0 HB THR A 115 18.308 -5.157 -6.599 1.00 74.01 H new ATOM 0 HG1 THR A 115 18.656 -7.271 -7.827 1.00 31.52 H new ATOM 0 HG21 THR A 115 19.812 -5.800 -4.753 1.00 0.10 H new ATOM 0 HG22 THR A 115 18.155 -5.502 -4.178 1.00 0.10 H new ATOM 0 HG23 THR A 115 18.744 -7.170 -4.366 1.00 0.10 H new ATOM 91 N CYS A 116 16.836 -9.030 -6.887 1.00 45.22 N ATOM 92 CA CYS A 116 16.813 -10.468 -6.647 1.00 55.43 C ATOM 93 C CYS A 116 17.040 -11.239 -7.944 1.00 71.30 C ATOM 94 O CYS A 116 16.798 -10.740 -9.043 1.00 62.23 O ATOM 95 CB CYS A 116 15.478 -10.880 -6.023 1.00 53.52 C ATOM 96 SG CYS A 116 14.021 -10.136 -6.825 1.00 50.51 S ATOM 0 H CYS A 116 16.883 -8.768 -7.872 1.00 45.22 H new ATOM 0 HA CYS A 116 17.620 -10.709 -5.955 1.00 55.43 H new ATOM 0 HB2 CYS A 116 15.389 -11.965 -6.066 1.00 53.52 H new ATOM 0 HB3 CYS A 116 15.481 -10.602 -4.969 1.00 53.52 H new ATOM 101 N PRO A 117 17.516 -12.487 -7.814 1.00 53.34 N ATOM 102 CA PRO A 117 17.785 -13.354 -8.965 1.00 25.53 C ATOM 103 C PRO A 117 16.507 -13.810 -9.660 1.00 50.50 C ATOM 104 O PRO A 117 15.708 -14.549 -9.087 1.00 30.03 O ATOM 105 CB PRO A 117 18.511 -14.551 -8.344 1.00 4.30 C ATOM 106 CG PRO A 117 18.050 -14.580 -6.928 1.00 24.34 C ATOM 107 CD PRO A 117 17.827 -13.146 -6.535 1.00 75.10 C ATOM 0 HA PRO A 117 18.360 -12.841 -9.736 1.00 25.53 H new ATOM 0 HB2 PRO A 117 18.261 -15.477 -8.861 1.00 4.30 H new ATOM 0 HB3 PRO A 117 19.593 -14.434 -8.406 1.00 4.30 H new ATOM 0 HG2 PRO A 117 17.132 -15.159 -6.828 1.00 24.34 H new ATOM 0 HG3 PRO A 117 18.794 -15.050 -6.285 1.00 24.34 H new ATOM 0 HD2 PRO A 117 17.008 -13.047 -5.822 1.00 75.10 H new ATOM 0 HD3 PRO A 117 18.712 -12.716 -6.066 1.00 75.10 H new ATOM 115 N GLU A 118 16.321 -13.363 -10.898 1.00 51.22 N ATOM 116 CA GLU A 118 15.138 -13.725 -11.671 1.00 3.04 C ATOM 117 C GLU A 118 14.943 -15.238 -11.689 1.00 62.33 C ATOM 118 O GLU A 118 15.909 -15.998 -11.759 1.00 64.45 O ATOM 119 CB GLU A 118 15.255 -13.197 -13.102 1.00 24.10 C ATOM 120 CG GLU A 118 14.165 -13.706 -14.030 1.00 31.15 C ATOM 121 CD GLU A 118 14.342 -13.227 -15.457 1.00 44.41 C ATOM 122 OE1 GLU A 118 15.504 -13.097 -15.899 1.00 34.53 O ATOM 123 OE2 GLU A 118 13.321 -12.980 -16.132 1.00 64.43 O ATOM 0 H GLU A 118 16.973 -12.750 -11.387 1.00 51.22 H new ATOM 0 HA GLU A 118 14.270 -13.270 -11.194 1.00 3.04 H new ATOM 0 HB2 GLU A 118 15.224 -12.108 -13.082 1.00 24.10 H new ATOM 0 HB3 GLU A 118 16.227 -13.481 -13.507 1.00 24.10 H new ATOM 0 HG2 GLU A 118 14.160 -14.796 -14.015 1.00 31.15 H new ATOM 0 HG3 GLU A 118 13.194 -13.378 -13.658 1.00 31.15 H new ATOM 130 N ILE A 119 13.687 -15.668 -11.625 1.00 44.35 N ATOM 131 CA ILE A 119 13.365 -17.089 -11.636 1.00 22.34 C ATOM 132 C ILE A 119 13.945 -17.775 -12.868 1.00 75.50 C ATOM 133 O ILE A 119 13.533 -17.523 -14.001 1.00 2.13 O ATOM 134 CB ILE A 119 11.843 -17.322 -11.600 1.00 42.22 C ATOM 135 CG1 ILE A 119 11.217 -16.564 -10.428 1.00 33.54 C ATOM 136 CG2 ILE A 119 11.537 -18.809 -11.502 1.00 13.23 C ATOM 137 CD1 ILE A 119 11.811 -16.930 -9.085 1.00 72.34 C ATOM 0 H ILE A 119 12.876 -15.052 -11.565 1.00 44.35 H new ATOM 0 HA ILE A 119 13.811 -17.520 -10.740 1.00 22.34 H new ATOM 0 HB ILE A 119 11.410 -16.943 -12.526 1.00 42.22 H new ATOM 0 HG12 ILE A 119 11.340 -15.493 -10.591 1.00 33.54 H new ATOM 0 HG13 ILE A 119 10.145 -16.762 -10.408 1.00 33.54 H new ATOM 0 HG21 ILE A 119 10.457 -18.957 -11.477 1.00 13.23 H new ATOM 0 HG22 ILE A 119 11.955 -19.324 -12.367 1.00 13.23 H new ATOM 0 HG23 ILE A 119 11.979 -19.212 -10.591 1.00 13.23 H new ATOM 0 HD11 ILE A 119 11.319 -16.354 -8.301 1.00 72.34 H new ATOM 0 HD12 ILE A 119 11.664 -17.994 -8.900 1.00 72.34 H new ATOM 0 HD13 ILE A 119 12.878 -16.705 -9.086 1.00 72.34 H new ATOM 149 N PRO A 120 14.922 -18.667 -12.645 1.00 12.54 N ATOM 150 CA PRO A 120 15.577 -19.410 -13.725 1.00 3.04 C ATOM 151 C PRO A 120 14.652 -20.439 -14.365 1.00 12.20 C ATOM 152 O PRO A 120 13.550 -20.687 -13.874 1.00 65.52 O ATOM 153 CB PRO A 120 16.744 -20.106 -13.019 1.00 32.00 C ATOM 154 CG PRO A 120 16.309 -20.228 -11.599 1.00 44.32 C ATOM 155 CD PRO A 120 15.462 -19.017 -11.320 1.00 72.33 C ATOM 0 HA PRO A 120 15.883 -18.757 -14.542 1.00 3.04 H new ATOM 0 HB2 PRO A 120 16.945 -21.084 -13.457 1.00 32.00 H new ATOM 0 HB3 PRO A 120 17.662 -19.524 -13.103 1.00 32.00 H new ATOM 0 HG2 PRO A 120 15.742 -21.145 -11.442 1.00 44.32 H new ATOM 0 HG3 PRO A 120 17.168 -20.266 -10.929 1.00 44.32 H new ATOM 0 HD2 PRO A 120 14.667 -19.238 -10.607 1.00 72.33 H new ATOM 0 HD3 PRO A 120 16.051 -18.203 -10.898 1.00 72.33 H new ATOM 163 N ASP A 121 15.106 -21.034 -15.462 1.00 52.14 N ATOM 164 CA ASP A 121 14.319 -22.038 -16.169 1.00 54.43 C ATOM 165 C ASP A 121 15.181 -23.239 -16.545 1.00 14.12 C ATOM 166 O ASP A 121 16.375 -23.101 -16.808 1.00 64.45 O ATOM 167 CB ASP A 121 13.691 -21.432 -17.426 1.00 34.24 C ATOM 168 CG ASP A 121 12.203 -21.187 -17.269 1.00 34.52 C ATOM 169 OD1 ASP A 121 11.488 -22.124 -16.853 1.00 54.44 O ATOM 170 OD2 ASP A 121 11.753 -20.060 -17.561 1.00 3.35 O ATOM 0 H ASP A 121 16.015 -20.839 -15.881 1.00 52.14 H new ATOM 0 HA ASP A 121 13.526 -22.377 -15.503 1.00 54.43 H new ATOM 0 HB2 ASP A 121 14.189 -20.491 -17.660 1.00 34.24 H new ATOM 0 HB3 ASP A 121 13.859 -22.100 -18.271 1.00 34.24 H new ATOM 175 N LYS A 122 14.567 -24.417 -16.566 1.00 62.30 N ATOM 176 CA LYS A 122 15.277 -25.644 -16.909 1.00 50.21 C ATOM 177 C LYS A 122 15.767 -25.603 -18.353 1.00 21.10 C ATOM 178 O LYS A 122 16.610 -26.405 -18.757 1.00 32.32 O ATOM 179 CB LYS A 122 14.369 -26.858 -16.702 1.00 31.03 C ATOM 180 CG LYS A 122 14.585 -27.559 -15.372 1.00 24.41 C ATOM 181 CD LYS A 122 13.875 -26.838 -14.239 1.00 35.41 C ATOM 182 CE LYS A 122 14.295 -27.382 -12.882 1.00 11.21 C ATOM 183 NZ LYS A 122 15.507 -26.692 -12.360 1.00 20.24 N ATOM 0 H LYS A 122 13.579 -24.548 -16.350 1.00 62.30 H new ATOM 0 HA LYS A 122 16.143 -25.729 -16.252 1.00 50.21 H new ATOM 0 HB2 LYS A 122 13.329 -26.539 -16.770 1.00 31.03 H new ATOM 0 HB3 LYS A 122 14.538 -27.570 -17.510 1.00 31.03 H new ATOM 0 HG2 LYS A 122 14.220 -28.584 -15.437 1.00 24.41 H new ATOM 0 HG3 LYS A 122 15.652 -27.613 -15.158 1.00 24.41 H new ATOM 0 HD2 LYS A 122 14.097 -25.772 -14.289 1.00 35.41 H new ATOM 0 HD3 LYS A 122 12.797 -26.945 -14.357 1.00 35.41 H new ATOM 0 HE2 LYS A 122 13.475 -27.263 -12.173 1.00 11.21 H new ATOM 0 HE3 LYS A 122 14.492 -28.451 -12.964 1.00 11.21 H new ATOM 0 HZ1 LYS A 122 15.762 -27.091 -11.434 1.00 20.24 H new ATOM 0 HZ2 LYS A 122 16.296 -26.827 -13.024 1.00 20.24 H new ATOM 0 HZ3 LYS A 122 15.311 -25.676 -12.257 1.00 20.24 H new ATOM 197 N THR A 123 15.235 -24.663 -19.128 1.00 3.54 N ATOM 198 CA THR A 123 15.619 -24.517 -20.526 1.00 72.10 C ATOM 199 C THR A 123 16.190 -23.130 -20.798 1.00 62.31 C ATOM 200 O THR A 123 16.759 -22.880 -21.861 1.00 30.33 O ATOM 201 CB THR A 123 14.422 -24.760 -21.465 1.00 21.01 C ATOM 202 OG1 THR A 123 14.777 -24.419 -22.810 1.00 1.35 O ATOM 203 CG2 THR A 123 13.217 -23.940 -21.029 1.00 43.34 C ATOM 0 H THR A 123 14.536 -23.991 -18.810 1.00 3.54 H new ATOM 0 HA THR A 123 16.385 -25.267 -20.723 1.00 72.10 H new ATOM 0 HB THR A 123 14.159 -25.817 -21.416 1.00 21.01 H new ATOM 0 HG1 THR A 123 15.681 -24.042 -22.824 1.00 1.35 H new ATOM 0 HG21 THR A 123 12.384 -24.128 -21.707 1.00 43.34 H new ATOM 0 HG22 THR A 123 12.931 -24.223 -20.016 1.00 43.34 H new ATOM 0 HG23 THR A 123 13.471 -22.880 -21.051 1.00 43.34 H new ATOM 211 N SER A 124 16.036 -22.232 -19.831 1.00 52.50 N ATOM 212 CA SER A 124 16.534 -20.868 -19.968 1.00 42.00 C ATOM 213 C SER A 124 17.610 -20.576 -18.927 1.00 1.44 C ATOM 214 O SER A 124 17.323 -20.476 -17.733 1.00 63.42 O ATOM 215 CB SER A 124 15.386 -19.866 -19.827 1.00 64.41 C ATOM 216 OG SER A 124 15.442 -18.881 -20.844 1.00 75.11 O ATOM 0 H SER A 124 15.570 -22.424 -18.944 1.00 52.50 H new ATOM 0 HA SER A 124 16.975 -20.766 -20.960 1.00 42.00 H new ATOM 0 HB2 SER A 124 14.432 -20.391 -19.877 1.00 64.41 H new ATOM 0 HB3 SER A 124 15.435 -19.387 -18.849 1.00 64.41 H new ATOM 0 HG SER A 124 14.697 -18.254 -20.733 1.00 75.11 H new ATOM 222 N ILE A 125 18.849 -20.439 -19.387 1.00 51.03 N ATOM 223 CA ILE A 125 19.968 -20.157 -18.497 1.00 32.02 C ATOM 224 C ILE A 125 20.717 -18.903 -18.935 1.00 71.22 C ATOM 225 O ILE A 125 20.593 -18.460 -20.078 1.00 23.35 O ATOM 226 CB ILE A 125 20.955 -21.338 -18.442 1.00 32.15 C ATOM 227 CG1 ILE A 125 20.219 -22.658 -18.684 1.00 0.43 C ATOM 228 CG2 ILE A 125 21.674 -21.365 -17.101 1.00 42.23 C ATOM 229 CD1 ILE A 125 19.129 -22.936 -17.673 1.00 13.11 C ATOM 0 H ILE A 125 19.103 -20.519 -20.372 1.00 51.03 H new ATOM 0 HA ILE A 125 19.548 -19.998 -17.504 1.00 32.02 H new ATOM 0 HB ILE A 125 21.698 -21.208 -19.229 1.00 32.15 H new ATOM 0 HG12 ILE A 125 19.782 -22.643 -19.682 1.00 0.43 H new ATOM 0 HG13 ILE A 125 20.940 -23.476 -18.663 1.00 0.43 H new ATOM 0 HG21 ILE A 125 22.368 -22.205 -17.077 1.00 42.23 H new ATOM 0 HG22 ILE A 125 22.225 -20.435 -16.965 1.00 42.23 H new ATOM 0 HG23 ILE A 125 20.944 -21.475 -16.299 1.00 42.23 H new ATOM 0 HD11 ILE A 125 18.650 -23.887 -17.906 1.00 13.11 H new ATOM 0 HD12 ILE A 125 19.563 -22.983 -16.674 1.00 13.11 H new ATOM 0 HD13 ILE A 125 18.387 -22.138 -17.709 1.00 13.11 H new ATOM 241 N CYS A 126 21.496 -18.336 -18.020 1.00 51.13 N ATOM 242 CA CYS A 126 22.267 -17.134 -18.311 1.00 43.54 C ATOM 243 C CYS A 126 23.753 -17.457 -18.434 1.00 65.22 C ATOM 244 O CYS A 126 24.165 -18.604 -18.265 1.00 4.12 O ATOM 245 CB CYS A 126 22.051 -16.086 -17.217 1.00 71.23 C ATOM 246 SG CYS A 126 23.145 -16.282 -15.774 1.00 11.02 S ATOM 0 H CYS A 126 21.610 -18.690 -17.070 1.00 51.13 H new ATOM 0 HA CYS A 126 21.920 -16.733 -19.263 1.00 43.54 H new ATOM 0 HB2 CYS A 126 22.204 -15.094 -17.643 1.00 71.23 H new ATOM 0 HB3 CYS A 126 21.015 -16.133 -16.883 1.00 71.23 H new ATOM 251 N ASN A 127 24.553 -16.437 -18.730 1.00 30.42 N ATOM 252 CA ASN A 127 25.993 -16.613 -18.876 1.00 4.13 C ATOM 253 C ASN A 127 26.725 -16.181 -17.609 1.00 2.33 C ATOM 254 O ASN A 127 26.104 -15.749 -16.638 1.00 2.53 O ATOM 255 CB ASN A 127 26.507 -15.811 -20.073 1.00 61.34 C ATOM 256 CG ASN A 127 25.513 -15.782 -21.218 1.00 43.35 C ATOM 257 OD1 ASN A 127 25.490 -16.682 -22.058 1.00 51.31 O ATOM 258 ND2 ASN A 127 24.686 -14.743 -21.257 1.00 63.42 N ATOM 0 H ASN A 127 24.228 -15.481 -18.873 1.00 30.42 H new ATOM 0 HA ASN A 127 26.189 -17.672 -19.045 1.00 4.13 H new ATOM 0 HB2 ASN A 127 26.724 -14.790 -19.757 1.00 61.34 H new ATOM 0 HB3 ASN A 127 27.445 -16.243 -20.421 1.00 61.34 H new ATOM 0 HD21 ASN A 127 23.996 -14.668 -22.005 1.00 63.42 H new ATOM 0 HD22 ASN A 127 24.741 -14.020 -20.539 1.00 63.42 H new ATOM 265 N SER A 128 28.049 -16.300 -17.626 1.00 71.14 N ATOM 266 CA SER A 128 28.866 -15.925 -16.478 1.00 53.02 C ATOM 267 C SER A 128 28.714 -14.439 -16.166 1.00 21.31 C ATOM 268 O SER A 128 28.141 -13.684 -16.951 1.00 40.12 O ATOM 269 CB SER A 128 30.336 -16.255 -16.742 1.00 1.20 C ATOM 270 OG SER A 128 30.609 -17.619 -16.474 1.00 33.41 O ATOM 0 H SER A 128 28.579 -16.653 -18.423 1.00 71.14 H new ATOM 0 HA SER A 128 28.522 -16.497 -15.616 1.00 53.02 H new ATOM 0 HB2 SER A 128 30.582 -16.029 -17.780 1.00 1.20 H new ATOM 0 HB3 SER A 128 30.971 -15.625 -16.119 1.00 1.20 H new ATOM 0 HG SER A 128 31.555 -17.804 -16.652 1.00 33.41 H new ATOM 276 N ASP A 129 29.232 -14.028 -15.014 1.00 11.22 N ATOM 277 CA ASP A 129 29.156 -12.633 -14.596 1.00 51.54 C ATOM 278 C ASP A 129 29.798 -11.719 -15.636 1.00 15.32 C ATOM 279 O ASP A 129 29.396 -10.567 -15.796 1.00 53.34 O ATOM 280 CB ASP A 129 29.841 -12.445 -13.242 1.00 21.10 C ATOM 281 CG ASP A 129 31.284 -12.910 -13.254 1.00 1.11 C ATOM 282 OD1 ASP A 129 32.131 -12.199 -13.833 1.00 42.31 O ATOM 283 OD2 ASP A 129 31.566 -13.985 -12.685 1.00 22.42 O ATOM 0 H ASP A 129 29.709 -14.641 -14.353 1.00 11.22 H new ATOM 0 HA ASP A 129 28.104 -12.365 -14.502 1.00 51.54 H new ATOM 0 HB2 ASP A 129 29.804 -11.392 -12.962 1.00 21.10 H new ATOM 0 HB3 ASP A 129 29.291 -12.997 -12.480 1.00 21.10 H new ATOM 288 N ALA A 130 30.798 -12.241 -16.338 1.00 53.33 N ATOM 289 CA ALA A 130 31.494 -11.472 -17.363 1.00 23.44 C ATOM 290 C ALA A 130 30.779 -11.573 -18.706 1.00 24.33 C ATOM 291 O ALA A 130 31.194 -10.958 -19.688 1.00 61.12 O ATOM 292 CB ALA A 130 32.934 -11.948 -17.492 1.00 33.24 C ATOM 0 H ALA A 130 31.144 -13.193 -16.216 1.00 53.33 H new ATOM 0 HA ALA A 130 31.494 -10.425 -17.060 1.00 23.44 H new ATOM 0 HB1 ALA A 130 33.442 -11.366 -18.261 1.00 33.24 H new ATOM 0 HB2 ALA A 130 33.447 -11.818 -16.539 1.00 33.24 H new ATOM 0 HB3 ALA A 130 32.945 -13.002 -17.769 1.00 33.24 H new ATOM 298 N ASP A 131 29.704 -12.353 -18.741 1.00 65.13 N ATOM 299 CA ASP A 131 28.931 -12.534 -19.965 1.00 25.35 C ATOM 300 C ASP A 131 27.462 -12.196 -19.734 1.00 31.23 C ATOM 301 O ASP A 131 26.589 -12.628 -20.487 1.00 52.54 O ATOM 302 CB ASP A 131 29.064 -13.972 -20.468 1.00 72.35 C ATOM 303 CG ASP A 131 30.452 -14.275 -20.996 1.00 25.42 C ATOM 304 OD1 ASP A 131 30.747 -13.892 -22.147 1.00 70.15 O ATOM 305 OD2 ASP A 131 31.245 -14.895 -20.257 1.00 21.35 O ATOM 0 H ASP A 131 29.348 -12.870 -17.937 1.00 65.13 H new ATOM 0 HA ASP A 131 29.327 -11.855 -20.720 1.00 25.35 H new ATOM 0 HB2 ASP A 131 28.829 -14.661 -19.657 1.00 72.35 H new ATOM 0 HB3 ASP A 131 28.332 -14.147 -21.257 1.00 72.35 H new ATOM 310 N CYS A 132 27.195 -11.423 -18.687 1.00 4.15 N ATOM 311 CA CYS A 132 25.832 -11.028 -18.354 1.00 51.35 C ATOM 312 C CYS A 132 25.672 -9.512 -18.426 1.00 42.23 C ATOM 313 O CYS A 132 26.446 -8.765 -17.826 1.00 51.10 O ATOM 314 CB CYS A 132 25.461 -11.525 -16.956 1.00 12.11 C ATOM 315 SG CYS A 132 23.708 -11.283 -16.521 1.00 43.25 S ATOM 0 H CYS A 132 27.906 -11.057 -18.054 1.00 4.15 H new ATOM 0 HA CYS A 132 25.161 -11.482 -19.083 1.00 51.35 H new ATOM 0 HB2 CYS A 132 25.699 -12.586 -16.884 1.00 12.11 H new ATOM 0 HB3 CYS A 132 26.081 -11.009 -16.222 1.00 12.11 H new ATOM 320 N THR A 133 24.662 -9.063 -19.165 1.00 42.13 N ATOM 321 CA THR A 133 24.401 -7.637 -19.317 1.00 33.30 C ATOM 322 C THR A 133 23.141 -7.226 -18.563 1.00 60.14 C ATOM 323 O THR A 133 22.188 -7.995 -18.433 1.00 1.34 O ATOM 324 CB THR A 133 24.248 -7.249 -20.800 1.00 10.23 C ATOM 325 OG1 THR A 133 23.191 -8.007 -21.398 1.00 50.24 O ATOM 326 CG2 THR A 133 25.544 -7.490 -21.558 1.00 43.45 C ATOM 0 H THR A 133 24.011 -9.667 -19.668 1.00 42.13 H new ATOM 0 HA THR A 133 25.259 -7.112 -18.899 1.00 33.30 H new ATOM 0 HB THR A 133 24.007 -6.187 -20.852 1.00 10.23 H new ATOM 0 HG1 THR A 133 23.099 -7.753 -22.340 1.00 50.24 H new ATOM 0 HG21 THR A 133 25.412 -7.209 -22.603 1.00 43.45 H new ATOM 0 HG22 THR A 133 26.340 -6.889 -21.118 1.00 43.45 H new ATOM 0 HG23 THR A 133 25.810 -8.545 -21.497 1.00 43.45 H new ATOM 334 N PRO A 134 23.133 -5.985 -18.055 1.00 40.23 N ATOM 335 CA PRO A 134 21.995 -5.443 -17.307 1.00 30.11 C ATOM 336 C PRO A 134 20.782 -5.192 -18.197 1.00 24.12 C ATOM 337 O PRO A 134 20.759 -5.595 -19.359 1.00 44.51 O ATOM 338 CB PRO A 134 22.533 -4.122 -16.751 1.00 34.23 C ATOM 339 CG PRO A 134 23.619 -3.729 -17.691 1.00 62.51 C ATOM 340 CD PRO A 134 24.234 -5.014 -18.173 1.00 62.30 C ATOM 0 HA PRO A 134 21.646 -6.134 -16.540 1.00 30.11 H new ATOM 0 HB2 PRO A 134 21.752 -3.363 -16.709 1.00 34.23 H new ATOM 0 HB3 PRO A 134 22.913 -4.245 -15.737 1.00 34.23 H new ATOM 0 HG2 PRO A 134 23.223 -3.149 -18.525 1.00 62.51 H new ATOM 0 HG3 PRO A 134 24.360 -3.105 -17.192 1.00 62.51 H new ATOM 0 HD2 PRO A 134 24.587 -4.930 -19.201 1.00 62.30 H new ATOM 0 HD3 PRO A 134 25.091 -5.302 -17.564 1.00 62.30 H new ATOM 348 N GLY A 135 19.775 -4.523 -17.643 1.00 25.42 N ATOM 349 CA GLY A 135 18.573 -4.230 -18.401 1.00 64.11 C ATOM 350 C GLY A 135 17.692 -5.450 -18.586 1.00 5.21 C ATOM 351 O GLY A 135 17.984 -6.521 -18.054 1.00 12.34 O ATOM 0 H GLY A 135 19.771 -4.179 -16.683 1.00 25.42 H new ATOM 0 HA2 GLY A 135 18.007 -3.451 -17.891 1.00 64.11 H new ATOM 0 HA3 GLY A 135 18.851 -3.835 -19.378 1.00 64.11 H new ATOM 447 N GLY A 143 11.739 -6.811 -14.129 1.00 72.40 N ATOM 448 CA GLY A 143 13.035 -7.132 -13.560 1.00 51.14 C ATOM 449 C GLY A 143 14.183 -6.662 -14.432 1.00 14.22 C ATOM 450 O GLY A 143 14.462 -7.252 -15.475 1.00 72.24 O ATOM 0 HA2 GLY A 143 13.120 -6.673 -12.575 1.00 51.14 H new ATOM 0 HA3 GLY A 143 13.109 -8.210 -13.417 1.00 51.14 H new ATOM 454 N VAL A 144 14.849 -5.594 -14.004 1.00 65.24 N ATOM 455 CA VAL A 144 15.973 -5.044 -14.753 1.00 61.23 C ATOM 456 C VAL A 144 17.289 -5.674 -14.311 1.00 2.20 C ATOM 457 O VAL A 144 17.738 -5.471 -13.183 1.00 40.23 O ATOM 458 CB VAL A 144 16.066 -3.516 -14.585 1.00 35.01 C ATOM 459 CG1 VAL A 144 17.143 -2.943 -15.493 1.00 11.10 C ATOM 460 CG2 VAL A 144 14.719 -2.867 -14.866 1.00 72.03 C ATOM 0 H VAL A 144 14.630 -5.093 -13.143 1.00 65.24 H new ATOM 0 HA VAL A 144 15.797 -5.276 -15.803 1.00 61.23 H new ATOM 0 HB VAL A 144 16.341 -3.297 -13.553 1.00 35.01 H new ATOM 0 HG11 VAL A 144 17.194 -1.862 -15.360 1.00 11.10 H new ATOM 0 HG12 VAL A 144 18.106 -3.385 -15.239 1.00 11.10 H new ATOM 0 HG13 VAL A 144 16.902 -3.170 -16.532 1.00 11.10 H new ATOM 0 HG21 VAL A 144 14.803 -1.787 -14.743 1.00 72.03 H new ATOM 0 HG22 VAL A 144 14.412 -3.093 -15.887 1.00 72.03 H new ATOM 0 HG23 VAL A 144 13.976 -3.255 -14.170 1.00 72.03 H new ATOM 470 N ALA A 145 17.904 -6.439 -15.207 1.00 54.24 N ATOM 471 CA ALA A 145 19.170 -7.096 -14.911 1.00 21.54 C ATOM 472 C ALA A 145 20.215 -6.089 -14.444 1.00 25.33 C ATOM 473 O ALA A 145 20.331 -4.995 -14.998 1.00 35.35 O ATOM 474 CB ALA A 145 19.671 -7.852 -16.132 1.00 63.24 C ATOM 0 H ALA A 145 17.545 -6.619 -16.145 1.00 54.24 H new ATOM 0 HA ALA A 145 19.001 -7.807 -14.102 1.00 21.54 H new ATOM 0 HB1 ALA A 145 20.618 -8.338 -15.896 1.00 63.24 H new ATOM 0 HB2 ALA A 145 18.938 -8.606 -16.419 1.00 63.24 H new ATOM 0 HB3 ALA A 145 19.817 -7.155 -16.957 1.00 63.24 H new ATOM 480 N THR A 146 20.976 -6.464 -13.420 1.00 65.51 N ATOM 481 CA THR A 146 22.011 -5.593 -12.877 1.00 61.43 C ATOM 482 C THR A 146 23.307 -5.719 -13.670 1.00 2.10 C ATOM 483 O THR A 146 24.052 -4.751 -13.818 1.00 22.13 O ATOM 484 CB THR A 146 22.295 -5.913 -11.397 1.00 51.34 C ATOM 485 OG1 THR A 146 21.063 -6.074 -10.686 1.00 74.00 O ATOM 486 CG2 THR A 146 23.117 -4.807 -10.753 1.00 41.22 C ATOM 0 H THR A 146 20.895 -7.366 -12.950 1.00 65.51 H new ATOM 0 HA THR A 146 21.638 -4.572 -12.955 1.00 61.43 H new ATOM 0 HB THR A 146 22.865 -6.841 -11.351 1.00 51.34 H new ATOM 0 HG1 THR A 146 21.229 -6.557 -9.849 1.00 74.00 H new ATOM 0 HG21 THR A 146 23.305 -5.055 -9.708 1.00 41.22 H new ATOM 0 HG22 THR A 146 24.066 -4.706 -11.279 1.00 41.22 H new ATOM 0 HG23 THR A 146 22.569 -3.866 -10.810 1.00 41.22 H new ATOM 494 N GLY A 147 23.570 -6.919 -14.179 1.00 43.34 N ATOM 495 CA GLY A 147 24.777 -7.148 -14.952 1.00 23.23 C ATOM 496 C GLY A 147 25.627 -8.266 -14.381 1.00 72.42 C ATOM 497 O GLY A 147 26.707 -8.558 -14.895 1.00 21.04 O ATOM 0 H GLY A 147 22.969 -7.736 -14.070 1.00 43.34 H new ATOM 0 HA2 GLY A 147 24.506 -7.390 -15.980 1.00 23.23 H new ATOM 0 HA3 GLY A 147 25.364 -6.230 -14.985 1.00 23.23 H new ATOM 501 N ARG A 148 25.139 -8.893 -13.316 1.00 21.24 N ATOM 502 CA ARG A 148 25.863 -9.984 -12.673 1.00 53.31 C ATOM 503 C ARG A 148 25.026 -11.260 -12.663 1.00 41.13 C ATOM 504 O ARG A 148 23.821 -11.223 -12.414 1.00 53.05 O ATOM 505 CB ARG A 148 26.242 -9.599 -11.242 1.00 0.11 C ATOM 506 CG ARG A 148 27.558 -8.844 -11.143 1.00 34.24 C ATOM 507 CD ARG A 148 27.980 -8.649 -9.695 1.00 12.32 C ATOM 508 NE ARG A 148 29.239 -7.917 -9.586 1.00 13.42 N ATOM 509 CZ ARG A 148 30.429 -8.465 -9.804 1.00 51.54 C ATOM 510 NH1 ARG A 148 30.522 -9.743 -10.142 1.00 74.24 N ATOM 511 NH2 ARG A 148 31.529 -7.733 -9.685 1.00 44.15 N ATOM 0 H ARG A 148 24.246 -8.665 -12.880 1.00 21.24 H new ATOM 0 HA ARG A 148 26.772 -10.170 -13.245 1.00 53.31 H new ATOM 0 HB2 ARG A 148 25.448 -8.985 -10.817 1.00 0.11 H new ATOM 0 HB3 ARG A 148 26.305 -10.503 -10.636 1.00 0.11 H new ATOM 0 HG2 ARG A 148 28.334 -9.391 -11.679 1.00 34.24 H new ATOM 0 HG3 ARG A 148 27.459 -7.873 -11.628 1.00 34.24 H new ATOM 0 HD2 ARG A 148 27.199 -8.109 -9.159 1.00 12.32 H new ATOM 0 HD3 ARG A 148 28.083 -9.621 -9.213 1.00 12.32 H new ATOM 0 HE ARG A 148 29.202 -6.931 -9.328 1.00 13.42 H new ATOM 0 HH11 ARG A 148 29.678 -10.309 -10.235 1.00 74.24 H new ATOM 0 HH12 ARG A 148 31.437 -10.161 -10.309 1.00 74.24 H new ATOM 0 HH21 ARG A 148 31.461 -6.749 -9.426 1.00 44.15 H new ATOM 0 HH22 ARG A 148 32.443 -8.154 -9.853 1.00 44.15 H new ATOM 525 N CYS A 149 25.674 -12.388 -12.936 1.00 54.33 N ATOM 526 CA CYS A 149 24.991 -13.675 -12.960 1.00 72.52 C ATOM 527 C CYS A 149 25.505 -14.585 -11.848 1.00 12.54 C ATOM 528 O CYS A 149 26.681 -14.539 -11.488 1.00 23.51 O ATOM 529 CB CYS A 149 25.184 -14.354 -14.318 1.00 40.40 C ATOM 530 SG CYS A 149 23.725 -14.269 -15.406 1.00 2.22 S ATOM 0 H CYS A 149 26.671 -12.436 -13.144 1.00 54.33 H new ATOM 0 HA CYS A 149 23.928 -13.496 -12.798 1.00 72.52 H new ATOM 0 HB2 CYS A 149 26.030 -13.892 -14.826 1.00 40.40 H new ATOM 0 HB3 CYS A 149 25.442 -15.400 -14.156 1.00 40.40 H new ATOM 535 N VAL A 150 24.614 -15.410 -11.306 1.00 43.23 N ATOM 536 CA VAL A 150 24.977 -16.331 -10.236 1.00 2.32 C ATOM 537 C VAL A 150 24.100 -17.577 -10.262 1.00 71.23 C ATOM 538 O VAL A 150 22.966 -17.558 -10.741 1.00 72.40 O ATOM 539 CB VAL A 150 24.857 -15.661 -8.854 1.00 54.31 C ATOM 540 CG1 VAL A 150 25.896 -14.560 -8.702 1.00 33.45 C ATOM 541 CG2 VAL A 150 23.453 -15.112 -8.649 1.00 52.34 C ATOM 0 H VAL A 150 23.636 -15.459 -11.591 1.00 43.23 H new ATOM 0 HA VAL A 150 26.015 -16.618 -10.404 1.00 2.32 H new ATOM 0 HB VAL A 150 25.045 -16.413 -8.087 1.00 54.31 H new ATOM 0 HG11 VAL A 150 25.796 -14.098 -7.720 1.00 33.45 H new ATOM 0 HG12 VAL A 150 26.894 -14.986 -8.803 1.00 33.45 H new ATOM 0 HG13 VAL A 150 25.743 -13.806 -9.474 1.00 33.45 H new ATOM 0 HG21 VAL A 150 23.386 -14.642 -7.668 1.00 52.34 H new ATOM 0 HG22 VAL A 150 23.235 -14.374 -9.421 1.00 52.34 H new ATOM 0 HG23 VAL A 150 22.731 -15.926 -8.712 1.00 52.34 H new ATOM 551 N PRO A 151 24.635 -18.689 -9.735 1.00 50.43 N ATOM 552 CA PRO A 151 23.917 -19.966 -9.685 1.00 43.24 C ATOM 553 C PRO A 151 22.755 -19.940 -8.699 1.00 1.44 C ATOM 554 O PRO A 151 22.954 -20.029 -7.487 1.00 23.01 O ATOM 555 CB PRO A 151 24.989 -20.957 -9.224 1.00 14.24 C ATOM 556 CG PRO A 151 25.973 -20.128 -8.473 1.00 41.02 C ATOM 557 CD PRO A 151 25.982 -18.784 -9.147 1.00 15.31 C ATOM 0 HA PRO A 151 23.468 -20.219 -10.645 1.00 43.24 H new ATOM 0 HB2 PRO A 151 24.563 -21.736 -8.591 1.00 14.24 H new ATOM 0 HB3 PRO A 151 25.458 -21.456 -10.072 1.00 14.24 H new ATOM 0 HG2 PRO A 151 25.687 -20.037 -7.425 1.00 41.02 H new ATOM 0 HG3 PRO A 151 26.964 -20.582 -8.495 1.00 41.02 H new ATOM 0 HD2 PRO A 151 26.168 -17.979 -8.436 1.00 15.31 H new ATOM 0 HD3 PRO A 151 26.759 -18.722 -9.909 1.00 15.31 H new ATOM 565 N PHE A 152 21.541 -19.817 -9.225 1.00 11.03 N ATOM 566 CA PHE A 152 20.346 -19.779 -8.389 1.00 42.44 C ATOM 567 C PHE A 152 20.331 -20.947 -7.408 1.00 1.33 C ATOM 568 O PHE A 152 20.264 -20.751 -6.195 1.00 64.11 O ATOM 569 CB PHE A 152 19.088 -19.813 -9.260 1.00 23.01 C ATOM 570 CG PHE A 152 17.815 -19.916 -8.470 1.00 1.54 C ATOM 571 CD1 PHE A 152 17.317 -21.152 -8.090 1.00 42.24 C ATOM 572 CD2 PHE A 152 17.116 -18.776 -8.106 1.00 5.25 C ATOM 573 CE1 PHE A 152 16.146 -21.249 -7.364 1.00 15.30 C ATOM 574 CE2 PHE A 152 15.944 -18.867 -7.379 1.00 3.44 C ATOM 575 CZ PHE A 152 15.459 -20.105 -7.007 1.00 11.25 C ATOM 0 H PHE A 152 21.358 -19.742 -10.226 1.00 11.03 H new ATOM 0 HA PHE A 152 20.360 -18.850 -7.819 1.00 42.44 H new ATOM 0 HB2 PHE A 152 19.055 -18.911 -9.872 1.00 23.01 H new ATOM 0 HB3 PHE A 152 19.152 -20.660 -9.943 1.00 23.01 H new ATOM 0 HD1 PHE A 152 17.851 -22.050 -8.365 1.00 42.24 H new ATOM 0 HD2 PHE A 152 17.491 -17.805 -8.394 1.00 5.25 H new ATOM 0 HE1 PHE A 152 15.768 -22.219 -7.076 1.00 15.30 H new ATOM 0 HE2 PHE A 152 15.408 -17.971 -7.102 1.00 3.44 H new ATOM 0 HZ PHE A 152 14.544 -20.179 -6.438 1.00 11.25 H new ATOM 585 N ASN A 153 20.393 -22.162 -7.942 1.00 40.13 N ATOM 586 CA ASN A 153 20.385 -23.362 -7.114 1.00 64.53 C ATOM 587 C ASN A 153 21.738 -24.067 -7.165 1.00 11.34 C ATOM 588 O ASN A 153 22.517 -24.003 -6.214 1.00 71.23 O ATOM 589 CB ASN A 153 19.283 -24.318 -7.575 1.00 52.00 C ATOM 590 CG ASN A 153 19.289 -25.623 -6.803 1.00 64.54 C ATOM 591 OD1 ASN A 153 19.560 -25.646 -5.603 1.00 23.33 O ATOM 592 ND2 ASN A 153 18.990 -26.719 -7.492 1.00 5.02 N ATOM 0 H ASN A 153 20.449 -22.342 -8.944 1.00 40.13 H new ATOM 0 HA ASN A 153 20.189 -23.061 -6.085 1.00 64.53 H new ATOM 0 HB2 ASN A 153 18.313 -23.834 -7.457 1.00 52.00 H new ATOM 0 HB3 ASN A 153 19.408 -24.527 -8.637 1.00 52.00 H new ATOM 0 HD21 ASN A 153 18.979 -27.627 -7.027 1.00 5.02 H new ATOM 0 HD22 ASN A 153 18.772 -26.653 -8.486 1.00 5.02 H new ATOM 599 N GLU A 154 22.009 -24.737 -8.280 1.00 50.34 N ATOM 600 CA GLU A 154 23.267 -25.453 -8.454 1.00 3.20 C ATOM 601 C GLU A 154 23.527 -25.747 -9.929 1.00 0.33 C ATOM 602 O GLU A 154 24.439 -25.183 -10.534 1.00 21.43 O ATOM 603 CB GLU A 154 23.250 -26.759 -7.658 1.00 24.15 C ATOM 604 CG GLU A 154 24.479 -27.624 -7.881 1.00 62.44 C ATOM 605 CD GLU A 154 24.391 -28.959 -7.167 1.00 31.00 C ATOM 606 OE1 GLU A 154 23.449 -29.726 -7.458 1.00 14.55 O ATOM 607 OE2 GLU A 154 25.263 -29.237 -6.318 1.00 2.12 O ATOM 0 H GLU A 154 21.375 -24.799 -9.076 1.00 50.34 H new ATOM 0 HA GLU A 154 24.071 -24.819 -8.081 1.00 3.20 H new ATOM 0 HB2 GLU A 154 23.168 -26.526 -6.596 1.00 24.15 H new ATOM 0 HB3 GLU A 154 22.361 -27.329 -7.929 1.00 24.15 H new ATOM 0 HG2 GLU A 154 24.609 -27.796 -8.950 1.00 62.44 H new ATOM 0 HG3 GLU A 154 25.363 -27.089 -7.535 1.00 62.44 H new ATOM 614 N SER A 155 22.719 -26.633 -10.501 1.00 34.44 N ATOM 615 CA SER A 155 22.863 -27.006 -11.903 1.00 31.31 C ATOM 616 C SER A 155 22.384 -25.882 -12.816 1.00 44.31 C ATOM 617 O SER A 155 22.791 -25.791 -13.974 1.00 65.14 O ATOM 618 CB SER A 155 22.077 -28.286 -12.196 1.00 11.22 C ATOM 619 OG SER A 155 22.921 -29.424 -12.154 1.00 14.54 O ATOM 0 H SER A 155 21.957 -27.106 -10.015 1.00 34.44 H new ATOM 0 HA SER A 155 23.920 -27.184 -12.099 1.00 31.31 H new ATOM 0 HB2 SER A 155 21.274 -28.398 -11.468 1.00 11.22 H new ATOM 0 HB3 SER A 155 21.609 -28.212 -13.178 1.00 11.22 H new ATOM 0 HG SER A 155 22.395 -30.229 -12.343 1.00 14.54 H new ATOM 625 N VAL A 156 21.517 -25.026 -12.286 1.00 14.24 N ATOM 626 CA VAL A 156 20.982 -23.906 -13.051 1.00 2.20 C ATOM 627 C VAL A 156 21.518 -22.578 -12.528 1.00 42.35 C ATOM 628 O VAL A 156 21.784 -22.429 -11.336 1.00 1.44 O ATOM 629 CB VAL A 156 19.443 -23.879 -13.006 1.00 51.02 C ATOM 630 CG1 VAL A 156 18.955 -23.572 -11.599 1.00 12.33 C ATOM 631 CG2 VAL A 156 18.899 -22.865 -14.001 1.00 71.12 C ATOM 0 H VAL A 156 21.170 -25.087 -11.329 1.00 14.24 H new ATOM 0 HA VAL A 156 21.305 -24.045 -14.083 1.00 2.20 H new ATOM 0 HB VAL A 156 19.071 -24.865 -13.286 1.00 51.02 H new ATOM 0 HG11 VAL A 156 17.865 -23.557 -11.587 1.00 12.33 H new ATOM 0 HG12 VAL A 156 19.315 -24.339 -10.914 1.00 12.33 H new ATOM 0 HG13 VAL A 156 19.335 -22.599 -11.286 1.00 12.33 H new ATOM 0 HG21 VAL A 156 17.810 -22.859 -13.956 1.00 71.12 H new ATOM 0 HG22 VAL A 156 19.278 -21.873 -13.754 1.00 71.12 H new ATOM 0 HG23 VAL A 156 19.219 -23.135 -15.007 1.00 71.12 H new ATOM 641 N LYS A 157 21.675 -21.614 -13.429 1.00 55.44 N ATOM 642 CA LYS A 157 22.177 -20.295 -13.061 1.00 22.53 C ATOM 643 C LYS A 157 21.369 -19.195 -13.741 1.00 60.21 C ATOM 644 O LYS A 157 20.983 -19.322 -14.904 1.00 4.32 O ATOM 645 CB LYS A 157 23.654 -20.166 -13.439 1.00 64.21 C ATOM 646 CG LYS A 157 23.945 -20.525 -14.886 1.00 23.20 C ATOM 647 CD LYS A 157 25.435 -20.699 -15.129 1.00 2.23 C ATOM 648 CE LYS A 157 25.861 -22.150 -14.965 1.00 42.21 C ATOM 649 NZ LYS A 157 25.238 -23.030 -15.992 1.00 34.14 N ATOM 0 H LYS A 157 21.462 -21.722 -14.421 1.00 55.44 H new ATOM 0 HA LYS A 157 22.073 -20.182 -11.982 1.00 22.53 H new ATOM 0 HB2 LYS A 157 23.979 -19.142 -13.255 1.00 64.21 H new ATOM 0 HB3 LYS A 157 24.245 -20.810 -12.788 1.00 64.21 H new ATOM 0 HG2 LYS A 157 23.423 -21.446 -15.145 1.00 23.20 H new ATOM 0 HG3 LYS A 157 23.557 -19.744 -15.540 1.00 23.20 H new ATOM 0 HD2 LYS A 157 25.683 -20.357 -16.134 1.00 2.23 H new ATOM 0 HD3 LYS A 157 25.994 -20.074 -14.433 1.00 2.23 H new ATOM 0 HE2 LYS A 157 26.946 -22.220 -15.037 1.00 42.21 H new ATOM 0 HE3 LYS A 157 25.584 -22.500 -13.971 1.00 42.21 H new ATOM 0 HZ1 LYS A 157 25.849 -23.855 -16.159 1.00 34.14 H new ATOM 0 HZ2 LYS A 157 24.307 -23.351 -15.656 1.00 34.14 H new ATOM 0 HZ3 LYS A 157 25.122 -22.500 -16.879 1.00 34.14 H new ATOM 663 N THR A 158 21.116 -18.114 -13.010 1.00 24.14 N ATOM 664 CA THR A 158 20.355 -16.992 -13.542 1.00 52.45 C ATOM 665 C THR A 158 21.079 -15.672 -13.301 1.00 54.01 C ATOM 666 O THR A 158 22.152 -15.642 -12.699 1.00 23.01 O ATOM 667 CB THR A 158 18.951 -16.916 -12.914 1.00 33.44 C ATOM 668 OG1 THR A 158 18.804 -17.937 -11.920 1.00 12.45 O ATOM 669 CG2 THR A 158 17.873 -17.077 -13.975 1.00 51.31 C ATOM 0 H THR A 158 21.428 -17.992 -12.046 1.00 24.14 H new ATOM 0 HA THR A 158 20.256 -17.159 -14.615 1.00 52.45 H new ATOM 0 HB THR A 158 18.838 -15.936 -12.450 1.00 33.44 H new ATOM 0 HG1 THR A 158 18.114 -17.670 -11.277 1.00 12.45 H new ATOM 0 HG21 THR A 158 16.890 -17.020 -13.507 1.00 51.31 H new ATOM 0 HG22 THR A 158 17.969 -16.282 -14.715 1.00 51.31 H new ATOM 0 HG23 THR A 158 17.986 -18.044 -14.465 1.00 51.31 H new ATOM 677 N CYS A 159 20.484 -14.581 -13.774 1.00 24.51 N ATOM 678 CA CYS A 159 21.072 -13.258 -13.609 1.00 42.54 C ATOM 679 C CYS A 159 20.241 -12.408 -12.652 1.00 74.33 C ATOM 680 O CYS A 159 19.012 -12.476 -12.655 1.00 40.23 O ATOM 681 CB CYS A 159 21.186 -12.555 -14.964 1.00 22.40 C ATOM 682 SG CYS A 159 22.777 -12.825 -15.810 1.00 1.15 S ATOM 0 H CYS A 159 19.595 -14.588 -14.274 1.00 24.51 H new ATOM 0 HA CYS A 159 22.069 -13.382 -13.185 1.00 42.54 H new ATOM 0 HB2 CYS A 159 20.380 -12.902 -15.610 1.00 22.40 H new ATOM 0 HB3 CYS A 159 21.041 -11.484 -14.819 1.00 22.40 H new ATOM 687 N GLU A 160 20.920 -11.610 -11.835 1.00 45.23 N ATOM 688 CA GLU A 160 20.244 -10.748 -10.873 1.00 22.12 C ATOM 689 C GLU A 160 19.562 -9.578 -11.576 1.00 11.04 C ATOM 690 O GLU A 160 20.126 -8.973 -12.487 1.00 54.35 O ATOM 691 CB GLU A 160 21.240 -10.224 -9.836 1.00 70.10 C ATOM 692 CG GLU A 160 22.159 -9.138 -10.370 1.00 23.34 C ATOM 693 CD GLU A 160 23.101 -8.598 -9.310 1.00 75.33 C ATOM 694 OE1 GLU A 160 23.996 -9.352 -8.873 1.00 53.24 O ATOM 695 OE2 GLU A 160 22.942 -7.423 -8.918 1.00 61.53 O ATOM 0 H GLU A 160 21.938 -11.542 -11.820 1.00 45.23 H new ATOM 0 HA GLU A 160 19.481 -11.340 -10.367 1.00 22.12 H new ATOM 0 HB2 GLU A 160 20.689 -9.834 -8.980 1.00 70.10 H new ATOM 0 HB3 GLU A 160 21.845 -11.055 -9.474 1.00 70.10 H new ATOM 0 HG2 GLU A 160 22.742 -9.536 -11.200 1.00 23.34 H new ATOM 0 HG3 GLU A 160 21.557 -8.320 -10.767 1.00 23.34 H new ATOM 702 N VAL A 161 18.344 -9.265 -11.145 1.00 32.32 N ATOM 703 CA VAL A 161 17.584 -8.168 -11.731 1.00 73.03 C ATOM 704 C VAL A 161 16.920 -7.320 -10.652 1.00 25.24 C ATOM 705 O VAL A 161 17.017 -7.624 -9.463 1.00 71.01 O ATOM 706 CB VAL A 161 16.502 -8.688 -12.697 1.00 42.41 C ATOM 707 CG1 VAL A 161 17.122 -9.578 -13.763 1.00 73.14 C ATOM 708 CG2 VAL A 161 15.419 -9.432 -11.932 1.00 73.52 C ATOM 0 H VAL A 161 17.863 -9.756 -10.392 1.00 32.32 H new ATOM 0 HA VAL A 161 18.293 -7.554 -12.286 1.00 73.03 H new ATOM 0 HB VAL A 161 16.041 -7.834 -13.194 1.00 42.41 H new ATOM 0 HG11 VAL A 161 16.343 -9.936 -14.436 1.00 73.14 H new ATOM 0 HG12 VAL A 161 17.858 -9.008 -14.330 1.00 73.14 H new ATOM 0 HG13 VAL A 161 17.610 -10.429 -13.288 1.00 73.14 H new ATOM 0 HG21 VAL A 161 14.663 -9.792 -12.630 1.00 73.52 H new ATOM 0 HG22 VAL A 161 15.861 -10.279 -11.407 1.00 73.52 H new ATOM 0 HG23 VAL A 161 14.956 -8.759 -11.211 1.00 73.52 H new ATOM 718 N ALA A 162 16.246 -6.256 -11.074 1.00 3.40 N ATOM 719 CA ALA A 162 15.564 -5.365 -10.143 1.00 44.35 C ATOM 720 C ALA A 162 14.062 -5.342 -10.406 1.00 24.22 C ATOM 721 O ALA A 162 13.604 -4.773 -11.396 1.00 2.42 O ATOM 722 CB ALA A 162 16.140 -3.960 -10.240 1.00 41.41 C ATOM 0 H ALA A 162 16.157 -5.990 -12.055 1.00 3.40 H new ATOM 0 HA ALA A 162 15.724 -5.743 -9.133 1.00 44.35 H new ATOM 0 HB1 ALA A 162 15.622 -3.305 -9.540 1.00 41.41 H new ATOM 0 HB2 ALA A 162 17.202 -3.985 -9.996 1.00 41.41 H new ATOM 0 HB3 ALA A 162 16.009 -3.582 -11.254 1.00 41.41 H new ATOM 728 N ALA A 163 13.301 -5.966 -9.513 1.00 30.10 N ATOM 729 CA ALA A 163 11.851 -6.016 -9.648 1.00 35.22 C ATOM 730 C ALA A 163 11.177 -6.143 -8.286 1.00 14.32 C ATOM 731 O ALA A 163 11.834 -6.062 -7.248 1.00 33.10 O ATOM 732 CB ALA A 163 11.444 -7.172 -10.549 1.00 71.45 C ATOM 0 H ALA A 163 13.665 -6.444 -8.689 1.00 30.10 H new ATOM 0 HA ALA A 163 11.521 -5.082 -10.102 1.00 35.22 H new ATOM 0 HB1 ALA A 163 10.358 -7.197 -10.641 1.00 71.45 H new ATOM 0 HB2 ALA A 163 11.888 -7.039 -11.535 1.00 71.45 H new ATOM 0 HB3 ALA A 163 11.793 -8.110 -10.118 1.00 71.45 H new ATOM 738 N TRP A 164 9.863 -6.340 -8.297 1.00 64.21 N ATOM 739 CA TRP A 164 9.101 -6.477 -7.061 1.00 54.04 C ATOM 740 C TRP A 164 9.279 -7.868 -6.462 1.00 43.35 C ATOM 741 O TRP A 164 8.712 -8.844 -6.954 1.00 14.33 O ATOM 742 CB TRP A 164 7.618 -6.207 -7.321 1.00 14.42 C ATOM 743 CG TRP A 164 7.374 -4.996 -8.171 1.00 23.33 C ATOM 744 CD1 TRP A 164 7.036 -4.979 -9.494 1.00 14.54 C ATOM 745 CD2 TRP A 164 7.453 -3.628 -7.756 1.00 61.22 C ATOM 746 NE1 TRP A 164 6.899 -3.682 -9.927 1.00 0.45 N ATOM 747 CE2 TRP A 164 7.149 -2.834 -8.880 1.00 20.44 C ATOM 748 CE3 TRP A 164 7.749 -2.996 -6.545 1.00 73.44 C ATOM 749 CZ2 TRP A 164 7.134 -1.443 -8.826 1.00 21.25 C ATOM 750 CZ3 TRP A 164 7.734 -1.616 -6.494 1.00 12.45 C ATOM 751 CH2 TRP A 164 7.428 -0.851 -7.627 1.00 74.22 C ATOM 0 H TRP A 164 9.304 -6.408 -9.147 1.00 64.21 H new ATOM 0 HA TRP A 164 9.478 -5.744 -6.348 1.00 54.04 H new ATOM 0 HB2 TRP A 164 7.177 -7.078 -7.807 1.00 14.42 H new ATOM 0 HB3 TRP A 164 7.106 -6.081 -6.367 1.00 14.42 H new ATOM 0 HD1 TRP A 164 6.897 -5.856 -10.109 1.00 14.54 H new ATOM 0 HE1 TRP A 164 6.651 -3.397 -10.874 1.00 0.45 H new ATOM 0 HE3 TRP A 164 7.985 -3.576 -5.665 1.00 73.44 H new ATOM 0 HZ2 TRP A 164 6.899 -0.852 -9.699 1.00 21.25 H new ATOM 0 HZ3 TRP A 164 7.962 -1.117 -5.564 1.00 12.45 H new ATOM 0 HH2 TRP A 164 7.424 0.226 -7.553 1.00 74.22 H new ATOM 762 N CYS A 165 10.071 -7.952 -5.399 1.00 2.23 N ATOM 763 CA CYS A 165 10.325 -9.223 -4.732 1.00 60.44 C ATOM 764 C CYS A 165 9.772 -9.212 -3.310 1.00 5.10 C ATOM 765 O CYS A 165 9.525 -8.159 -2.722 1.00 3.02 O ATOM 766 CB CYS A 165 11.826 -9.518 -4.706 1.00 20.42 C ATOM 767 SG CYS A 165 12.363 -10.754 -5.932 1.00 52.34 S ATOM 0 H CYS A 165 10.549 -7.154 -4.980 1.00 2.23 H new ATOM 0 HA CYS A 165 9.817 -10.007 -5.293 1.00 60.44 H new ATOM 0 HB2 CYS A 165 12.371 -8.590 -4.879 1.00 20.42 H new ATOM 0 HB3 CYS A 165 12.100 -9.867 -3.710 1.00 20.42 H new