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= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot -69:sc= 1.23 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.0635 X(o=-0.064,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 -160:sc= -0.391 USER MOD Single : A 153 ASN : amide:sc= -0.186 K(o=-0.19,f=-2.4!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -169:sc= -0.229 (180deg=-0.363) USER MOD Single : A 158 THR OG1 : rot -82:sc= -1.63 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.176 -1.435 -5.757 1.00 23.15 N ATOM 50 CA GLN A 113 11.031 -2.279 -6.583 1.00 40.13 C ATOM 51 C GLN A 113 12.371 -2.532 -5.900 1.00 50.42 C ATOM 52 O GLN A 113 13.078 -1.594 -5.531 1.00 54.44 O ATOM 53 CB GLN A 113 11.256 -1.629 -7.950 1.00 23.42 C ATOM 54 CG GLN A 113 11.726 -2.605 -9.017 1.00 1.30 C ATOM 55 CD GLN A 113 11.566 -2.056 -10.421 1.00 13.52 C ATOM 56 OE1 GLN A 113 12.546 -1.861 -11.140 1.00 24.52 O ATOM 57 NE2 GLN A 113 10.325 -1.802 -10.819 1.00 53.24 N ATOM 0 HA GLN A 113 10.529 -3.237 -6.721 1.00 40.13 H new ATOM 0 HB2 GLN A 113 10.327 -1.163 -8.279 1.00 23.42 H new ATOM 0 HB3 GLN A 113 11.993 -0.833 -7.848 1.00 23.42 H new ATOM 0 HG2 GLN A 113 12.774 -2.850 -8.844 1.00 1.30 H new ATOM 0 HG3 GLN A 113 11.163 -3.534 -8.928 1.00 1.30 H new ATOM 0 HE21 GLN A 113 9.542 -1.979 -10.190 1.00 53.24 H new ATOM 0 HE22 GLN A 113 10.155 -1.430 -11.754 1.00 53.24 H new ATOM 66 N SER A 114 12.714 -3.805 -5.734 1.00 42.04 N ATOM 67 CA SER A 114 13.968 -4.181 -5.092 1.00 32.35 C ATOM 68 C SER A 114 14.845 -4.989 -6.043 1.00 30.51 C ATOM 69 O SER A 114 14.418 -5.361 -7.137 1.00 1.42 O ATOM 70 CB SER A 114 13.692 -4.990 -3.823 1.00 20.24 C ATOM 71 OG SER A 114 13.273 -4.149 -2.762 1.00 53.34 O ATOM 0 H SER A 114 12.141 -4.593 -6.035 1.00 42.04 H new ATOM 0 HA SER A 114 14.499 -3.267 -4.825 1.00 32.35 H new ATOM 0 HB2 SER A 114 12.924 -5.737 -4.024 1.00 20.24 H new ATOM 0 HB3 SER A 114 14.592 -5.530 -3.529 1.00 20.24 H new ATOM 0 HG SER A 114 13.102 -4.691 -1.963 1.00 53.34 H new ATOM 77 N THR A 115 16.076 -5.259 -5.618 1.00 74.31 N ATOM 78 CA THR A 115 17.015 -6.022 -6.431 1.00 14.01 C ATOM 79 C THR A 115 17.141 -7.455 -5.927 1.00 35.04 C ATOM 80 O THR A 115 17.145 -7.701 -4.720 1.00 70.41 O ATOM 81 CB THR A 115 18.409 -5.369 -6.440 1.00 4.51 C ATOM 82 OG1 THR A 115 19.039 -5.540 -5.165 1.00 70.02 O ATOM 83 CG2 THR A 115 18.310 -3.886 -6.767 1.00 25.20 C ATOM 0 H THR A 115 16.445 -4.960 -4.715 1.00 74.31 H new ATOM 0 HA THR A 115 16.619 -6.031 -7.447 1.00 14.01 H new ATOM 0 HB THR A 115 19.009 -5.856 -7.209 1.00 4.51 H new ATOM 0 HG1 THR A 115 19.926 -5.123 -5.180 1.00 70.02 H new ATOM 0 HG21 THR A 115 19.307 -3.446 -6.768 1.00 25.20 H new ATOM 0 HG22 THR A 115 17.857 -3.760 -7.750 1.00 25.20 H new ATOM 0 HG23 THR A 115 17.694 -3.388 -6.018 1.00 25.20 H new ATOM 91 N CYS A 116 17.243 -8.398 -6.857 1.00 44.12 N ATOM 92 CA CYS A 116 17.370 -9.808 -6.508 1.00 11.54 C ATOM 93 C CYS A 116 17.639 -10.654 -7.749 1.00 4.34 C ATOM 94 O CYS A 116 17.317 -10.271 -8.874 1.00 5.35 O ATOM 95 CB CYS A 116 16.100 -10.297 -5.809 1.00 31.21 C ATOM 96 SG CYS A 116 14.556 -9.780 -6.625 1.00 73.34 S ATOM 0 H CYS A 116 17.240 -8.211 -7.860 1.00 44.12 H new ATOM 0 HA CYS A 116 18.215 -9.914 -5.828 1.00 11.54 H new ATOM 0 HB2 CYS A 116 16.123 -11.385 -5.756 1.00 31.21 H new ATOM 0 HB3 CYS A 116 16.098 -9.928 -4.783 1.00 31.21 H new ATOM 101 N PRO A 117 18.244 -11.833 -7.541 1.00 2.32 N ATOM 102 CA PRO A 117 18.570 -12.758 -8.630 1.00 33.31 C ATOM 103 C PRO A 117 17.326 -13.393 -9.242 1.00 71.24 C ATOM 104 O PRO A 117 16.547 -14.046 -8.549 1.00 75.02 O ATOM 105 CB PRO A 117 19.431 -13.822 -7.946 1.00 25.34 C ATOM 106 CG PRO A 117 19.015 -13.785 -6.516 1.00 3.34 C ATOM 107 CD PRO A 117 18.656 -12.353 -6.226 1.00 63.44 C ATOM 0 HA PRO A 117 19.069 -12.254 -9.458 1.00 33.31 H new ATOM 0 HB2 PRO A 117 19.263 -14.807 -8.382 1.00 25.34 H new ATOM 0 HB3 PRO A 117 20.493 -13.602 -8.055 1.00 25.34 H new ATOM 0 HG2 PRO A 117 18.165 -14.444 -6.340 1.00 3.34 H new ATOM 0 HG3 PRO A 117 19.821 -14.124 -5.866 1.00 3.34 H new ATOM 0 HD2 PRO A 117 17.851 -12.280 -5.495 1.00 63.44 H new ATOM 0 HD3 PRO A 117 19.504 -11.800 -5.822 1.00 63.44 H new ATOM 115 N GLU A 118 17.147 -13.197 -10.545 1.00 63.31 N ATOM 116 CA GLU A 118 15.997 -13.751 -11.250 1.00 21.45 C ATOM 117 C GLU A 118 15.863 -15.247 -10.980 1.00 62.53 C ATOM 118 O GLU A 118 16.773 -15.875 -10.438 1.00 3.01 O ATOM 119 CB GLU A 118 16.124 -13.502 -12.754 1.00 33.11 C ATOM 120 CG GLU A 118 15.192 -12.420 -13.272 1.00 52.40 C ATOM 121 CD GLU A 118 13.743 -12.672 -12.904 1.00 13.15 C ATOM 122 OE1 GLU A 118 13.172 -13.672 -13.387 1.00 44.20 O ATOM 123 OE2 GLU A 118 13.179 -11.869 -12.131 1.00 3.52 O ATOM 0 H GLU A 118 17.783 -12.659 -11.133 1.00 63.31 H new ATOM 0 HA GLU A 118 15.101 -13.251 -10.881 1.00 21.45 H new ATOM 0 HB2 GLU A 118 17.153 -13.223 -12.982 1.00 33.11 H new ATOM 0 HB3 GLU A 118 15.920 -14.431 -13.286 1.00 33.11 H new ATOM 0 HG2 GLU A 118 15.502 -11.456 -12.870 1.00 52.40 H new ATOM 0 HG3 GLU A 118 15.282 -12.357 -14.356 1.00 52.40 H new ATOM 130 N ILE A 119 14.723 -15.812 -11.363 1.00 15.53 N ATOM 131 CA ILE A 119 14.469 -17.233 -11.163 1.00 64.13 C ATOM 132 C ILE A 119 14.826 -18.035 -12.410 1.00 72.13 C ATOM 133 O ILE A 119 14.429 -17.702 -13.527 1.00 45.23 O ATOM 134 CB ILE A 119 12.996 -17.497 -10.800 1.00 61.15 C ATOM 135 CG1 ILE A 119 12.544 -16.547 -9.689 1.00 73.54 C ATOM 136 CG2 ILE A 119 12.807 -18.946 -10.376 1.00 54.23 C ATOM 137 CD1 ILE A 119 13.359 -16.669 -8.421 1.00 64.12 C ATOM 0 H ILE A 119 13.960 -15.307 -11.814 1.00 15.53 H new ATOM 0 HA ILE A 119 15.101 -17.553 -10.334 1.00 64.13 H new ATOM 0 HB ILE A 119 12.381 -17.314 -11.681 1.00 61.15 H new ATOM 0 HG12 ILE A 119 12.604 -15.521 -10.053 1.00 73.54 H new ATOM 0 HG13 ILE A 119 11.497 -16.743 -9.458 1.00 73.54 H new ATOM 0 HG21 ILE A 119 11.761 -19.117 -10.122 1.00 54.23 H new ATOM 0 HG22 ILE A 119 13.095 -19.605 -11.195 1.00 54.23 H new ATOM 0 HG23 ILE A 119 13.430 -19.155 -9.506 1.00 54.23 H new ATOM 0 HD11 ILE A 119 12.983 -15.966 -7.678 1.00 64.12 H new ATOM 0 HD12 ILE A 119 13.279 -17.685 -8.033 1.00 64.12 H new ATOM 0 HD13 ILE A 119 14.403 -16.444 -8.637 1.00 64.12 H new ATOM 149 N PRO A 120 15.591 -19.120 -12.218 1.00 11.24 N ATOM 150 CA PRO A 120 16.016 -19.994 -13.315 1.00 13.00 C ATOM 151 C PRO A 120 14.857 -20.794 -13.900 1.00 63.43 C ATOM 152 O PRO A 120 14.202 -21.562 -13.195 1.00 52.23 O ATOM 153 CB PRO A 120 17.030 -20.929 -12.651 1.00 42.34 C ATOM 154 CG PRO A 120 16.645 -20.946 -11.212 1.00 53.15 C ATOM 155 CD PRO A 120 16.100 -19.577 -10.913 1.00 54.25 C ATOM 0 HA PRO A 120 16.423 -19.428 -14.153 1.00 13.00 H new ATOM 0 HB2 PRO A 120 16.989 -21.929 -13.084 1.00 42.34 H new ATOM 0 HB3 PRO A 120 18.049 -20.566 -12.784 1.00 42.34 H new ATOM 0 HG2 PRO A 120 15.897 -21.715 -11.017 1.00 53.15 H new ATOM 0 HG3 PRO A 120 17.505 -21.170 -10.581 1.00 53.15 H new ATOM 0 HD2 PRO A 120 15.309 -19.614 -10.164 1.00 54.25 H new ATOM 0 HD3 PRO A 120 16.873 -18.912 -10.528 1.00 54.25 H new ATOM 163 N ASP A 121 14.611 -20.611 -15.193 1.00 11.34 N ATOM 164 CA ASP A 121 13.532 -21.317 -15.873 1.00 71.33 C ATOM 165 C ASP A 121 14.003 -21.864 -17.217 1.00 42.23 C ATOM 166 O ASP A 121 14.971 -21.370 -17.796 1.00 2.21 O ATOM 167 CB ASP A 121 12.335 -20.388 -16.078 1.00 75.01 C ATOM 168 CG ASP A 121 11.105 -21.128 -16.567 1.00 53.51 C ATOM 169 OD1 ASP A 121 10.782 -22.187 -15.990 1.00 54.15 O ATOM 170 OD2 ASP A 121 10.466 -20.647 -17.527 1.00 32.40 O ATOM 0 H ASP A 121 15.144 -19.980 -15.791 1.00 11.34 H new ATOM 0 HA ASP A 121 13.228 -22.155 -15.246 1.00 71.33 H new ATOM 0 HB2 ASP A 121 12.104 -19.886 -15.139 1.00 75.01 H new ATOM 0 HB3 ASP A 121 12.599 -19.613 -16.798 1.00 75.01 H new ATOM 175 N LYS A 122 13.313 -22.887 -17.709 1.00 21.32 N ATOM 176 CA LYS A 122 13.660 -23.502 -18.985 1.00 34.24 C ATOM 177 C LYS A 122 13.573 -22.486 -20.119 1.00 64.43 C ATOM 178 O LYS A 122 14.144 -22.688 -21.192 1.00 0.40 O ATOM 179 CB LYS A 122 12.732 -24.685 -19.273 1.00 0.20 C ATOM 180 CG LYS A 122 12.701 -25.719 -18.161 1.00 1.22 C ATOM 181 CD LYS A 122 11.548 -26.692 -18.336 1.00 73.34 C ATOM 182 CE LYS A 122 11.148 -27.327 -17.013 1.00 71.23 C ATOM 183 NZ LYS A 122 10.245 -26.444 -16.224 1.00 44.45 N ATOM 0 H LYS A 122 12.509 -23.308 -17.243 1.00 21.32 H new ATOM 0 HA LYS A 122 14.687 -23.861 -18.920 1.00 34.24 H new ATOM 0 HB2 LYS A 122 11.722 -24.311 -19.438 1.00 0.20 H new ATOM 0 HB3 LYS A 122 13.049 -25.168 -20.198 1.00 0.20 H new ATOM 0 HG2 LYS A 122 13.643 -26.268 -18.147 1.00 1.22 H new ATOM 0 HG3 LYS A 122 12.611 -25.216 -17.198 1.00 1.22 H new ATOM 0 HD2 LYS A 122 10.692 -26.170 -18.764 1.00 73.34 H new ATOM 0 HD3 LYS A 122 11.832 -27.471 -19.043 1.00 73.34 H new ATOM 0 HE2 LYS A 122 10.651 -28.278 -17.203 1.00 71.23 H new ATOM 0 HE3 LYS A 122 12.043 -27.545 -16.430 1.00 71.23 H new ATOM 0 HZ1 LYS A 122 9.995 -26.913 -15.330 1.00 44.45 H new ATOM 0 HZ2 LYS A 122 10.728 -25.546 -16.021 1.00 44.45 H new ATOM 0 HZ3 LYS A 122 9.380 -26.256 -16.769 1.00 44.45 H new ATOM 197 N THR A 123 12.857 -21.393 -19.876 1.00 22.12 N ATOM 198 CA THR A 123 12.697 -20.346 -20.877 1.00 12.13 C ATOM 199 C THR A 123 13.576 -19.142 -20.558 1.00 53.32 C ATOM 200 O THR A 123 13.998 -18.415 -21.457 1.00 43.40 O ATOM 201 CB THR A 123 11.231 -19.885 -20.977 1.00 54.22 C ATOM 202 OG1 THR A 123 10.814 -19.302 -19.737 1.00 42.14 O ATOM 203 CG2 THR A 123 10.319 -21.052 -21.326 1.00 41.43 C ATOM 0 H THR A 123 12.378 -21.210 -18.994 1.00 22.12 H new ATOM 0 HA THR A 123 13.002 -20.772 -21.833 1.00 12.13 H new ATOM 0 HB THR A 123 11.162 -19.140 -21.770 1.00 54.22 H new ATOM 0 HG1 THR A 123 10.751 -20.000 -19.052 1.00 42.14 H new ATOM 0 HG21 THR A 123 9.289 -20.702 -21.391 1.00 41.43 H new ATOM 0 HG22 THR A 123 10.620 -21.475 -22.285 1.00 41.43 H new ATOM 0 HG23 THR A 123 10.394 -21.816 -20.553 1.00 41.43 H new ATOM 211 N SER A 124 13.848 -18.937 -19.273 1.00 51.24 N ATOM 212 CA SER A 124 14.675 -17.818 -18.836 1.00 74.11 C ATOM 213 C SER A 124 15.951 -18.316 -18.165 1.00 1.32 C ATOM 214 O SER A 124 15.915 -18.847 -17.054 1.00 53.43 O ATOM 215 CB SER A 124 13.892 -16.925 -17.871 1.00 43.24 C ATOM 216 OG SER A 124 14.767 -16.195 -17.029 1.00 43.42 O ATOM 0 H SER A 124 13.508 -19.531 -18.517 1.00 51.24 H new ATOM 0 HA SER A 124 14.951 -17.236 -19.715 1.00 74.11 H new ATOM 0 HB2 SER A 124 13.266 -16.235 -18.436 1.00 43.24 H new ATOM 0 HB3 SER A 124 13.225 -17.537 -17.264 1.00 43.24 H new ATOM 0 HG SER A 124 14.243 -15.631 -16.423 1.00 43.42 H new ATOM 222 N ILE A 125 17.078 -18.140 -18.847 1.00 12.13 N ATOM 223 CA ILE A 125 18.366 -18.570 -18.317 1.00 12.33 C ATOM 224 C ILE A 125 19.372 -17.424 -18.320 1.00 13.41 C ATOM 225 O ILE A 125 19.218 -16.450 -19.058 1.00 13.22 O ATOM 226 CB ILE A 125 18.943 -19.747 -19.125 1.00 50.43 C ATOM 227 CG1 ILE A 125 17.856 -20.788 -19.398 1.00 72.11 C ATOM 228 CG2 ILE A 125 20.113 -20.376 -18.383 1.00 53.25 C ATOM 229 CD1 ILE A 125 17.069 -20.524 -20.663 1.00 2.52 C ATOM 0 H ILE A 125 17.125 -17.703 -19.767 1.00 12.13 H new ATOM 0 HA ILE A 125 18.192 -18.895 -17.291 1.00 12.33 H new ATOM 0 HB ILE A 125 19.306 -19.369 -20.081 1.00 50.43 H new ATOM 0 HG12 ILE A 125 18.317 -21.773 -19.466 1.00 72.11 H new ATOM 0 HG13 ILE A 125 17.169 -20.815 -18.552 1.00 72.11 H new ATOM 0 HG21 ILE A 125 20.510 -21.206 -18.967 1.00 53.25 H new ATOM 0 HG22 ILE A 125 20.894 -19.630 -18.236 1.00 53.25 H new ATOM 0 HG23 ILE A 125 19.774 -20.743 -17.414 1.00 53.25 H new ATOM 0 HD11 ILE A 125 16.316 -21.302 -20.792 1.00 2.52 H new ATOM 0 HD12 ILE A 125 16.579 -19.553 -20.591 1.00 2.52 H new ATOM 0 HD13 ILE A 125 17.744 -20.527 -21.519 1.00 2.52 H new ATOM 241 N CYS A 126 20.403 -17.547 -17.491 1.00 42.34 N ATOM 242 CA CYS A 126 21.437 -16.522 -17.399 1.00 35.54 C ATOM 243 C CYS A 126 22.739 -17.005 -18.030 1.00 61.14 C ATOM 244 O CYS A 126 23.062 -18.191 -17.982 1.00 60.12 O ATOM 245 CB CYS A 126 21.677 -16.142 -15.936 1.00 54.33 C ATOM 246 SG CYS A 126 22.976 -14.887 -15.698 1.00 53.04 S ATOM 0 H CYS A 126 20.545 -18.346 -16.873 1.00 42.34 H new ATOM 0 HA CYS A 126 21.093 -15.643 -17.945 1.00 35.54 H new ATOM 0 HB2 CYS A 126 20.745 -15.770 -15.511 1.00 54.33 H new ATOM 0 HB3 CYS A 126 21.946 -17.039 -15.378 1.00 54.33 H new ATOM 251 N ASN A 127 23.483 -16.076 -18.622 1.00 72.13 N ATOM 252 CA ASN A 127 24.750 -16.406 -19.264 1.00 61.22 C ATOM 253 C ASN A 127 25.926 -16.066 -18.353 1.00 70.15 C ATOM 254 O ASN A 127 25.741 -15.569 -17.243 1.00 34.13 O ATOM 255 CB ASN A 127 24.884 -15.656 -20.591 1.00 24.01 C ATOM 256 CG ASN A 127 23.555 -15.498 -21.303 1.00 71.51 C ATOM 257 OD1 ASN A 127 23.156 -16.354 -22.093 1.00 60.32 O ATOM 258 ND2 ASN A 127 22.862 -14.400 -21.026 1.00 70.01 N ATOM 0 H ASN A 127 23.230 -15.089 -18.670 1.00 72.13 H new ATOM 0 HA ASN A 127 24.762 -17.478 -19.458 1.00 61.22 H new ATOM 0 HB2 ASN A 127 25.314 -14.671 -20.407 1.00 24.01 H new ATOM 0 HB3 ASN A 127 25.579 -16.191 -21.239 1.00 24.01 H new ATOM 0 HD21 ASN A 127 21.960 -14.239 -21.475 1.00 70.01 H new ATOM 0 HD22 ASN A 127 23.231 -13.717 -20.364 1.00 70.01 H new ATOM 265 N SER A 128 27.136 -16.337 -18.832 1.00 70.13 N ATOM 266 CA SER A 128 28.342 -16.063 -18.061 1.00 5.14 C ATOM 267 C SER A 128 28.455 -14.576 -17.739 1.00 45.21 C ATOM 268 O SER A 128 27.737 -13.751 -18.304 1.00 12.02 O ATOM 269 CB SER A 128 29.581 -16.526 -18.830 1.00 4.34 C ATOM 270 OG SER A 128 30.361 -17.418 -18.052 1.00 14.11 O ATOM 0 H SER A 128 27.307 -16.746 -19.751 1.00 70.13 H new ATOM 0 HA SER A 128 28.278 -16.616 -17.124 1.00 5.14 H new ATOM 0 HB2 SER A 128 29.277 -17.016 -19.755 1.00 4.34 H new ATOM 0 HB3 SER A 128 30.183 -15.662 -19.110 1.00 4.34 H new ATOM 0 HG SER A 128 31.146 -17.700 -18.567 1.00 14.11 H new ATOM 276 N ASP A 129 29.363 -14.241 -16.828 1.00 72.42 N ATOM 277 CA ASP A 129 29.572 -12.854 -16.431 1.00 40.10 C ATOM 278 C ASP A 129 29.803 -11.968 -17.651 1.00 71.25 C ATOM 279 O ASP A 129 29.176 -10.919 -17.797 1.00 23.04 O ATOM 280 CB ASP A 129 30.762 -12.748 -15.476 1.00 63.34 C ATOM 281 CG ASP A 129 31.982 -13.490 -15.988 1.00 0.54 C ATOM 282 OD1 ASP A 129 32.112 -14.695 -15.688 1.00 2.41 O ATOM 283 OD2 ASP A 129 32.807 -12.864 -16.687 1.00 31.23 O ATOM 0 H ASP A 129 29.966 -14.912 -16.351 1.00 72.42 H new ATOM 0 HA ASP A 129 28.673 -12.510 -15.919 1.00 40.10 H new ATOM 0 HB2 ASP A 129 31.014 -11.698 -15.329 1.00 63.34 H new ATOM 0 HB3 ASP A 129 30.479 -13.147 -14.502 1.00 63.34 H new ATOM 288 N ALA A 130 30.707 -12.398 -18.526 1.00 0.14 N ATOM 289 CA ALA A 130 31.020 -11.645 -19.734 1.00 11.44 C ATOM 290 C ALA A 130 29.951 -11.851 -20.802 1.00 23.33 C ATOM 291 O ALA A 130 30.018 -11.264 -21.882 1.00 14.25 O ATOM 292 CB ALA A 130 32.387 -12.047 -20.267 1.00 51.12 C ATOM 0 H ALA A 130 31.235 -13.264 -18.420 1.00 0.14 H new ATOM 0 HA ALA A 130 31.040 -10.586 -19.477 1.00 11.44 H new ATOM 0 HB1 ALA A 130 32.608 -11.477 -21.169 1.00 51.12 H new ATOM 0 HB2 ALA A 130 33.147 -11.841 -19.513 1.00 51.12 H new ATOM 0 HB3 ALA A 130 32.388 -13.112 -20.501 1.00 51.12 H new ATOM 298 N ASP A 131 28.968 -12.690 -20.493 1.00 40.45 N ATOM 299 CA ASP A 131 27.884 -12.974 -21.427 1.00 45.43 C ATOM 300 C ASP A 131 26.559 -12.430 -20.903 1.00 31.40 C ATOM 301 O ASP A 131 25.509 -12.630 -21.514 1.00 53.11 O ATOM 302 CB ASP A 131 27.773 -14.480 -21.669 1.00 52.44 C ATOM 303 CG ASP A 131 26.942 -14.809 -22.894 1.00 63.12 C ATOM 304 OD1 ASP A 131 26.479 -13.866 -23.569 1.00 13.54 O ATOM 305 OD2 ASP A 131 26.757 -16.011 -23.179 1.00 13.41 O ATOM 0 H ASP A 131 28.899 -13.185 -19.604 1.00 40.45 H new ATOM 0 HA ASP A 131 28.111 -12.478 -22.371 1.00 45.43 H new ATOM 0 HB2 ASP A 131 28.772 -14.901 -21.787 1.00 52.44 H new ATOM 0 HB3 ASP A 131 27.329 -14.954 -20.794 1.00 52.44 H new ATOM 310 N CYS A 132 26.615 -11.744 -19.767 1.00 13.23 N ATOM 311 CA CYS A 132 25.419 -11.173 -19.158 1.00 43.32 C ATOM 312 C CYS A 132 25.522 -9.652 -19.081 1.00 33.22 C ATOM 313 O CYS A 132 26.499 -9.109 -18.565 1.00 24.42 O ATOM 314 CB CYS A 132 25.207 -11.753 -17.758 1.00 45.43 C ATOM 315 SG CYS A 132 23.465 -11.799 -17.228 1.00 41.25 S ATOM 0 H CYS A 132 27.476 -11.570 -19.249 1.00 13.23 H new ATOM 0 HA CYS A 132 24.564 -11.431 -19.783 1.00 43.32 H new ATOM 0 HB2 CYS A 132 25.611 -12.765 -17.731 1.00 45.43 H new ATOM 0 HB3 CYS A 132 25.778 -11.163 -17.042 1.00 45.43 H new ATOM 320 N THR A 133 24.505 -8.969 -19.597 1.00 52.12 N ATOM 321 CA THR A 133 24.480 -7.512 -19.588 1.00 12.22 C ATOM 322 C THR A 133 23.219 -6.988 -18.910 1.00 1.23 C ATOM 323 O THR A 133 22.158 -7.612 -18.950 1.00 44.53 O ATOM 324 CB THR A 133 24.557 -6.939 -21.016 1.00 34.42 C ATOM 325 OG1 THR A 133 23.760 -7.731 -21.904 1.00 65.24 O ATOM 326 CG2 THR A 133 25.995 -6.906 -21.509 1.00 23.41 C ATOM 0 H THR A 133 23.687 -9.402 -20.027 1.00 52.12 H new ATOM 0 HA THR A 133 25.355 -7.185 -19.026 1.00 12.22 H new ATOM 0 HB THR A 133 24.174 -5.919 -20.996 1.00 34.42 H new ATOM 0 HG1 THR A 133 23.812 -7.360 -22.810 1.00 65.24 H new ATOM 0 HG21 THR A 133 26.024 -6.498 -22.519 1.00 23.41 H new ATOM 0 HG22 THR A 133 26.592 -6.279 -20.847 1.00 23.41 H new ATOM 0 HG23 THR A 133 26.401 -7.918 -21.515 1.00 23.41 H new ATOM 334 N PRO A 134 23.334 -5.814 -18.271 1.00 21.01 N ATOM 335 CA PRO A 134 22.212 -5.180 -17.573 1.00 2.44 C ATOM 336 C PRO A 134 21.148 -4.663 -18.535 1.00 32.33 C ATOM 337 O PRO A 134 21.221 -4.897 -19.740 1.00 72.33 O ATOM 338 CB PRO A 134 22.870 -4.015 -16.828 1.00 64.14 C ATOM 339 CG PRO A 134 24.094 -3.704 -17.619 1.00 24.14 C ATOM 340 CD PRO A 134 24.568 -5.015 -18.182 1.00 21.42 C ATOM 0 HA PRO A 134 21.690 -5.881 -16.921 1.00 2.44 H new ATOM 0 HB2 PRO A 134 22.204 -3.154 -16.773 1.00 64.14 H new ATOM 0 HB3 PRO A 134 23.120 -4.291 -15.803 1.00 64.14 H new ATOM 0 HG2 PRO A 134 23.873 -2.994 -18.416 1.00 24.14 H new ATOM 0 HG3 PRO A 134 24.860 -3.250 -16.990 1.00 24.14 H new ATOM 0 HD2 PRO A 134 25.036 -4.888 -19.158 1.00 21.42 H new ATOM 0 HD3 PRO A 134 25.307 -5.487 -17.534 1.00 21.42 H new ATOM 348 N GLY A 135 20.159 -3.959 -17.993 1.00 55.23 N ATOM 349 CA GLY A 135 19.093 -3.420 -18.819 1.00 23.23 C ATOM 350 C GLY A 135 17.817 -4.232 -18.721 1.00 20.22 C ATOM 351 O GLY A 135 16.965 -3.963 -17.874 1.00 42.31 O ATOM 0 H GLY A 135 20.076 -3.752 -16.998 1.00 55.23 H new ATOM 0 HA2 GLY A 135 18.890 -2.392 -18.519 1.00 23.23 H new ATOM 0 HA3 GLY A 135 19.422 -3.390 -19.858 1.00 23.23 H new ATOM 447 N GLY A 143 11.386 -5.971 -14.795 1.00 74.31 N ATOM 448 CA GLY A 143 12.388 -5.244 -14.039 1.00 23.43 C ATOM 449 C GLY A 143 13.570 -4.828 -14.892 1.00 54.04 C ATOM 450 O GLY A 143 13.503 -4.872 -16.121 1.00 25.51 O ATOM 0 HA2 GLY A 143 11.933 -4.357 -13.597 1.00 23.43 H new ATOM 0 HA3 GLY A 143 12.739 -5.866 -13.216 1.00 23.43 H new ATOM 454 N VAL A 144 14.654 -4.420 -14.241 1.00 21.01 N ATOM 455 CA VAL A 144 15.855 -3.993 -14.948 1.00 64.02 C ATOM 456 C VAL A 144 17.048 -4.870 -14.584 1.00 44.31 C ATOM 457 O VAL A 144 17.440 -4.951 -13.420 1.00 51.43 O ATOM 458 CB VAL A 144 16.198 -2.524 -14.637 1.00 12.03 C ATOM 459 CG1 VAL A 144 16.310 -2.308 -13.135 1.00 72.52 C ATOM 460 CG2 VAL A 144 17.484 -2.117 -15.340 1.00 11.45 C ATOM 0 H VAL A 144 14.725 -4.376 -13.224 1.00 21.01 H new ATOM 0 HA VAL A 144 15.647 -4.092 -16.013 1.00 64.02 H new ATOM 0 HB VAL A 144 15.391 -1.894 -15.011 1.00 12.03 H new ATOM 0 HG11 VAL A 144 16.553 -1.264 -12.935 1.00 72.52 H new ATOM 0 HG12 VAL A 144 15.361 -2.558 -12.660 1.00 72.52 H new ATOM 0 HG13 VAL A 144 17.096 -2.947 -12.733 1.00 72.52 H new ATOM 0 HG21 VAL A 144 17.711 -1.076 -15.109 1.00 11.45 H new ATOM 0 HG22 VAL A 144 18.302 -2.751 -14.998 1.00 11.45 H new ATOM 0 HG23 VAL A 144 17.362 -2.231 -16.417 1.00 11.45 H new ATOM 470 N ALA A 145 17.623 -5.525 -15.588 1.00 14.41 N ATOM 471 CA ALA A 145 18.773 -6.394 -15.374 1.00 41.31 C ATOM 472 C ALA A 145 19.928 -5.629 -14.738 1.00 4.53 C ATOM 473 O ALA A 145 20.109 -4.436 -14.986 1.00 11.23 O ATOM 474 CB ALA A 145 19.213 -7.020 -16.689 1.00 70.01 C ATOM 0 H ALA A 145 17.311 -5.470 -16.557 1.00 14.41 H new ATOM 0 HA ALA A 145 18.475 -7.187 -14.688 1.00 41.31 H new ATOM 0 HB1 ALA A 145 20.073 -7.667 -16.514 1.00 70.01 H new ATOM 0 HB2 ALA A 145 18.395 -7.609 -17.104 1.00 70.01 H new ATOM 0 HB3 ALA A 145 19.487 -6.234 -17.392 1.00 70.01 H new ATOM 480 N THR A 146 20.709 -6.322 -13.915 1.00 4.42 N ATOM 481 CA THR A 146 21.846 -5.707 -13.241 1.00 43.02 C ATOM 482 C THR A 146 23.145 -5.989 -13.987 1.00 65.00 C ATOM 483 O THR A 146 24.084 -5.196 -13.940 1.00 45.51 O ATOM 484 CB THR A 146 21.980 -6.211 -11.792 1.00 10.33 C ATOM 485 OG1 THR A 146 20.688 -6.291 -11.180 1.00 32.11 O ATOM 486 CG2 THR A 146 22.875 -5.288 -10.979 1.00 2.15 C ATOM 0 H THR A 146 20.575 -7.310 -13.699 1.00 4.42 H new ATOM 0 HA THR A 146 21.663 -4.633 -13.229 1.00 43.02 H new ATOM 0 HB THR A 146 22.433 -7.202 -11.816 1.00 10.33 H new ATOM 0 HG1 THR A 146 20.788 -6.298 -10.205 1.00 32.11 H new ATOM 0 HG21 THR A 146 22.955 -5.664 -9.959 1.00 2.15 H new ATOM 0 HG22 THR A 146 23.866 -5.252 -11.431 1.00 2.15 H new ATOM 0 HG23 THR A 146 22.446 -4.286 -10.964 1.00 2.15 H new ATOM 494 N GLY A 147 23.192 -7.125 -14.676 1.00 64.23 N ATOM 495 CA GLY A 147 24.382 -7.491 -15.423 1.00 74.21 C ATOM 496 C GLY A 147 25.144 -8.631 -14.777 1.00 72.34 C ATOM 497 O GLY A 147 25.695 -9.488 -15.468 1.00 73.43 O ATOM 0 H GLY A 147 22.428 -7.798 -14.730 1.00 64.23 H new ATOM 0 HA2 GLY A 147 24.098 -7.776 -16.436 1.00 74.21 H new ATOM 0 HA3 GLY A 147 25.036 -6.623 -15.507 1.00 74.21 H new ATOM 501 N ARG A 148 25.177 -8.641 -13.449 1.00 22.11 N ATOM 502 CA ARG A 148 25.880 -9.683 -12.710 1.00 2.10 C ATOM 503 C ARG A 148 25.092 -10.989 -12.729 1.00 60.32 C ATOM 504 O ARG A 148 23.861 -10.985 -12.696 1.00 41.24 O ATOM 505 CB ARG A 148 26.119 -9.240 -11.265 1.00 63.33 C ATOM 506 CG ARG A 148 27.215 -10.024 -10.562 1.00 2.14 C ATOM 507 CD ARG A 148 27.894 -9.190 -9.486 1.00 52.13 C ATOM 508 NE ARG A 148 28.796 -8.192 -10.055 1.00 73.13 N ATOM 509 CZ ARG A 148 29.377 -7.234 -9.341 1.00 74.33 C ATOM 510 NH1 ARG A 148 29.151 -7.145 -8.038 1.00 24.52 N ATOM 511 NH2 ARG A 148 30.185 -6.363 -9.931 1.00 62.12 N ATOM 0 H ARG A 148 24.725 -7.939 -12.862 1.00 22.11 H new ATOM 0 HA ARG A 148 26.841 -9.852 -13.195 1.00 2.10 H new ATOM 0 HB2 ARG A 148 26.378 -8.181 -11.256 1.00 63.33 H new ATOM 0 HB3 ARG A 148 25.191 -9.345 -10.703 1.00 63.33 H new ATOM 0 HG2 ARG A 148 26.791 -10.923 -10.114 1.00 2.14 H new ATOM 0 HG3 ARG A 148 27.956 -10.351 -11.292 1.00 2.14 H new ATOM 0 HD2 ARG A 148 27.136 -8.691 -8.882 1.00 52.13 H new ATOM 0 HD3 ARG A 148 28.453 -9.845 -8.818 1.00 52.13 H new ATOM 0 HE ARG A 148 28.991 -8.233 -11.055 1.00 73.13 H new ATOM 0 HH11 ARG A 148 28.530 -7.813 -7.581 1.00 24.52 H new ATOM 0 HH12 ARG A 148 29.598 -6.409 -7.492 1.00 24.52 H new ATOM 0 HH21 ARG A 148 30.361 -6.428 -10.934 1.00 62.12 H new ATOM 0 HH22 ARG A 148 30.631 -5.628 -9.382 1.00 62.12 H new ATOM 525 N CYS A 149 25.810 -12.106 -12.783 1.00 74.42 N ATOM 526 CA CYS A 149 25.179 -13.421 -12.808 1.00 12.51 C ATOM 527 C CYS A 149 25.610 -14.253 -11.604 1.00 73.51 C ATOM 528 O CYS A 149 26.752 -14.169 -11.154 1.00 24.10 O ATOM 529 CB CYS A 149 25.532 -14.155 -14.103 1.00 4.32 C ATOM 530 SG CYS A 149 24.414 -15.536 -14.504 1.00 12.51 S ATOM 0 H CYS A 149 26.829 -12.127 -12.810 1.00 74.42 H new ATOM 0 HA CYS A 149 24.099 -13.280 -12.762 1.00 12.51 H new ATOM 0 HB2 CYS A 149 25.521 -13.442 -14.927 1.00 4.32 H new ATOM 0 HB3 CYS A 149 26.550 -14.537 -14.026 1.00 4.32 H new ATOM 535 N VAL A 150 24.686 -15.058 -11.087 1.00 65.23 N ATOM 536 CA VAL A 150 24.970 -15.908 -9.937 1.00 2.21 C ATOM 537 C VAL A 150 24.147 -17.190 -9.984 1.00 71.13 C ATOM 538 O VAL A 150 23.030 -17.221 -10.501 1.00 33.23 O ATOM 539 CB VAL A 150 24.683 -15.175 -8.613 1.00 54.32 C ATOM 540 CG1 VAL A 150 25.456 -13.867 -8.548 1.00 5.21 C ATOM 541 CG2 VAL A 150 23.190 -14.929 -8.454 1.00 52.13 C ATOM 0 H VAL A 150 23.735 -15.139 -11.447 1.00 65.23 H new ATOM 0 HA VAL A 150 26.030 -16.159 -9.983 1.00 2.21 H new ATOM 0 HB VAL A 150 25.015 -15.807 -7.789 1.00 54.32 H new ATOM 0 HG11 VAL A 150 25.240 -13.363 -7.606 1.00 5.21 H new ATOM 0 HG12 VAL A 150 26.524 -14.072 -8.614 1.00 5.21 H new ATOM 0 HG13 VAL A 150 25.158 -13.227 -9.378 1.00 5.21 H new ATOM 0 HG21 VAL A 150 23.005 -14.410 -7.513 1.00 52.13 H new ATOM 0 HG22 VAL A 150 22.832 -14.318 -9.282 1.00 52.13 H new ATOM 0 HG23 VAL A 150 22.662 -15.883 -8.452 1.00 52.13 H new ATOM 551 N PRO A 151 24.710 -18.275 -9.432 1.00 72.34 N ATOM 552 CA PRO A 151 24.045 -19.581 -9.398 1.00 34.20 C ATOM 553 C PRO A 151 22.850 -19.598 -8.451 1.00 31.44 C ATOM 554 O PRO A 151 22.985 -19.925 -7.271 1.00 73.12 O ATOM 555 CB PRO A 151 25.140 -20.524 -8.894 1.00 62.12 C ATOM 556 CG PRO A 151 26.064 -19.651 -8.117 1.00 14.10 C ATOM 557 CD PRO A 151 26.039 -18.311 -8.799 1.00 14.10 C ATOM 0 HA PRO A 151 23.640 -19.858 -10.372 1.00 34.20 H new ATOM 0 HB2 PRO A 151 24.725 -21.315 -8.270 1.00 62.12 H new ATOM 0 HB3 PRO A 151 25.657 -21.009 -9.722 1.00 62.12 H new ATOM 0 HG2 PRO A 151 25.741 -19.567 -7.079 1.00 14.10 H new ATOM 0 HG3 PRO A 151 27.073 -20.064 -8.104 1.00 14.10 H new ATOM 0 HD2 PRO A 151 26.167 -17.495 -8.087 1.00 14.10 H new ATOM 0 HD3 PRO A 151 26.837 -18.220 -9.535 1.00 14.10 H new ATOM 565 N PHE A 152 21.681 -19.245 -8.974 1.00 34.01 N ATOM 566 CA PHE A 152 20.462 -19.220 -8.174 1.00 15.50 C ATOM 567 C PHE A 152 20.216 -20.573 -7.513 1.00 4.32 C ATOM 568 O PHE A 152 19.566 -20.658 -6.472 1.00 74.14 O ATOM 569 CB PHE A 152 19.262 -18.840 -9.045 1.00 63.44 C ATOM 570 CG PHE A 152 18.000 -18.616 -8.263 1.00 40.41 C ATOM 571 CD1 PHE A 152 17.213 -19.686 -7.869 1.00 44.02 C ATOM 572 CD2 PHE A 152 17.600 -17.334 -7.922 1.00 12.40 C ATOM 573 CE1 PHE A 152 16.051 -19.483 -7.149 1.00 4.32 C ATOM 574 CE2 PHE A 152 16.439 -17.124 -7.201 1.00 62.25 C ATOM 575 CZ PHE A 152 15.663 -18.200 -6.815 1.00 44.25 C ATOM 0 H PHE A 152 21.552 -18.972 -9.948 1.00 34.01 H new ATOM 0 HA PHE A 152 20.587 -18.471 -7.392 1.00 15.50 H new ATOM 0 HB2 PHE A 152 19.500 -17.934 -9.602 1.00 63.44 H new ATOM 0 HB3 PHE A 152 19.091 -19.629 -9.777 1.00 63.44 H new ATOM 0 HD1 PHE A 152 17.511 -20.691 -8.128 1.00 44.02 H new ATOM 0 HD2 PHE A 152 18.202 -16.489 -8.223 1.00 12.40 H new ATOM 0 HE1 PHE A 152 15.447 -20.326 -6.848 1.00 4.32 H new ATOM 0 HE2 PHE A 152 16.139 -16.120 -6.940 1.00 62.25 H new ATOM 0 HZ PHE A 152 14.755 -18.038 -6.253 1.00 44.25 H new ATOM 585 N ASN A 153 20.743 -21.628 -8.126 1.00 34.12 N ATOM 586 CA ASN A 153 20.581 -22.978 -7.598 1.00 55.01 C ATOM 587 C ASN A 153 21.829 -23.816 -7.856 1.00 73.53 C ATOM 588 O ASN A 153 22.802 -23.336 -8.436 1.00 11.43 O ATOM 589 CB ASN A 153 19.360 -23.652 -8.229 1.00 44.43 C ATOM 590 CG ASN A 153 18.098 -23.439 -7.417 1.00 13.02 C ATOM 591 OD1 ASN A 153 18.157 -23.143 -6.223 1.00 72.12 O ATOM 592 ND2 ASN A 153 16.947 -23.590 -8.062 1.00 12.31 N ATOM 0 H ASN A 153 21.285 -21.574 -8.988 1.00 34.12 H new ATOM 0 HA ASN A 153 20.431 -22.905 -6.521 1.00 55.01 H new ATOM 0 HB2 ASN A 153 19.212 -23.260 -9.235 1.00 44.43 H new ATOM 0 HB3 ASN A 153 19.549 -24.721 -8.328 1.00 44.43 H new ATOM 0 HD21 ASN A 153 16.064 -23.460 -7.567 1.00 12.31 H new ATOM 0 HD22 ASN A 153 16.946 -23.836 -9.052 1.00 12.31 H new ATOM 599 N GLU A 154 21.791 -25.073 -7.423 1.00 4.55 N ATOM 600 CA GLU A 154 22.920 -25.977 -7.607 1.00 32.51 C ATOM 601 C GLU A 154 22.825 -26.699 -8.948 1.00 70.21 C ATOM 602 O GLU A 154 23.757 -27.389 -9.361 1.00 60.02 O ATOM 603 CB GLU A 154 22.975 -26.999 -6.469 1.00 14.54 C ATOM 604 CG GLU A 154 24.335 -27.656 -6.306 1.00 33.13 C ATOM 605 CD GLU A 154 25.444 -26.650 -6.068 1.00 22.34 C ATOM 606 OE1 GLU A 154 25.712 -26.329 -4.891 1.00 51.42 O ATOM 607 OE2 GLU A 154 26.045 -26.185 -7.059 1.00 20.02 O ATOM 0 H GLU A 154 20.992 -25.487 -6.943 1.00 4.55 H new ATOM 0 HA GLU A 154 23.834 -25.383 -7.597 1.00 32.51 H new ATOM 0 HB2 GLU A 154 22.705 -26.505 -5.535 1.00 14.54 H new ATOM 0 HB3 GLU A 154 22.227 -27.771 -6.649 1.00 14.54 H new ATOM 0 HG2 GLU A 154 24.299 -28.355 -5.471 1.00 33.13 H new ATOM 0 HG3 GLU A 154 24.563 -28.238 -7.199 1.00 33.13 H new ATOM 614 N SER A 155 21.692 -26.535 -9.623 1.00 34.12 N ATOM 615 CA SER A 155 21.472 -27.174 -10.915 1.00 40.12 C ATOM 616 C SER A 155 21.298 -26.130 -12.014 1.00 73.34 C ATOM 617 O SER A 155 21.583 -26.390 -13.184 1.00 14.34 O ATOM 618 CB SER A 155 20.241 -28.081 -10.857 1.00 41.41 C ATOM 619 OG SER A 155 19.936 -28.609 -12.136 1.00 51.32 O ATOM 0 H SER A 155 20.912 -25.965 -9.296 1.00 34.12 H new ATOM 0 HA SER A 155 22.348 -27.779 -11.148 1.00 40.12 H new ATOM 0 HB2 SER A 155 20.419 -28.897 -10.156 1.00 41.41 H new ATOM 0 HB3 SER A 155 19.388 -27.517 -10.480 1.00 41.41 H new ATOM 0 HG SER A 155 19.147 -29.186 -12.072 1.00 51.32 H new ATOM 625 N VAL A 156 20.827 -24.948 -11.630 1.00 21.10 N ATOM 626 CA VAL A 156 20.615 -23.864 -12.581 1.00 40.42 C ATOM 627 C VAL A 156 21.165 -22.547 -12.045 1.00 11.22 C ATOM 628 O VAL A 156 21.472 -22.426 -10.859 1.00 21.33 O ATOM 629 CB VAL A 156 19.120 -23.688 -12.908 1.00 1.11 C ATOM 630 CG1 VAL A 156 18.644 -24.792 -13.839 1.00 54.04 C ATOM 631 CG2 VAL A 156 18.295 -23.664 -11.630 1.00 61.20 C ATOM 0 H VAL A 156 20.585 -24.717 -10.666 1.00 21.10 H new ATOM 0 HA VAL A 156 21.149 -24.134 -13.492 1.00 40.42 H new ATOM 0 HB VAL A 156 18.987 -22.734 -13.417 1.00 1.11 H new ATOM 0 HG11 VAL A 156 17.586 -24.651 -14.059 1.00 54.04 H new ATOM 0 HG12 VAL A 156 19.215 -24.757 -14.767 1.00 54.04 H new ATOM 0 HG13 VAL A 156 18.789 -25.760 -13.360 1.00 54.04 H new ATOM 0 HG21 VAL A 156 17.241 -23.539 -11.879 1.00 61.20 H new ATOM 0 HG22 VAL A 156 18.432 -24.602 -11.091 1.00 61.20 H new ATOM 0 HG23 VAL A 156 18.620 -22.834 -11.003 1.00 61.20 H new ATOM 641 N LYS A 157 21.287 -21.560 -12.926 1.00 74.03 N ATOM 642 CA LYS A 157 21.798 -20.250 -12.543 1.00 11.52 C ATOM 643 C LYS A 157 20.995 -19.136 -13.208 1.00 32.22 C ATOM 644 O LYS A 157 20.410 -19.330 -14.274 1.00 14.20 O ATOM 645 CB LYS A 157 23.275 -20.124 -12.923 1.00 30.31 C ATOM 646 CG LYS A 157 24.097 -21.356 -12.584 1.00 12.11 C ATOM 647 CD LYS A 157 25.535 -21.214 -13.055 1.00 15.24 C ATOM 648 CE LYS A 157 26.314 -20.242 -12.181 1.00 75.42 C ATOM 649 NZ LYS A 157 27.471 -20.901 -11.515 1.00 64.04 N ATOM 0 H LYS A 157 21.038 -21.643 -13.912 1.00 74.03 H new ATOM 0 HA LYS A 157 21.697 -20.151 -11.462 1.00 11.52 H new ATOM 0 HB2 LYS A 157 23.351 -19.930 -13.993 1.00 30.31 H new ATOM 0 HB3 LYS A 157 23.701 -19.261 -12.411 1.00 30.31 H new ATOM 0 HG2 LYS A 157 24.081 -21.520 -11.507 1.00 12.11 H new ATOM 0 HG3 LYS A 157 23.646 -22.234 -13.047 1.00 12.11 H new ATOM 0 HD2 LYS A 157 26.022 -22.189 -13.040 1.00 15.24 H new ATOM 0 HD3 LYS A 157 25.548 -20.867 -14.088 1.00 15.24 H new ATOM 0 HE2 LYS A 157 26.670 -19.411 -12.790 1.00 75.42 H new ATOM 0 HE3 LYS A 157 25.651 -19.822 -11.425 1.00 75.42 H new ATOM 0 HZ1 LYS A 157 27.863 -20.266 -10.791 1.00 64.04 H new ATOM 0 HZ2 LYS A 157 27.156 -21.785 -11.066 1.00 64.04 H new ATOM 0 HZ3 LYS A 157 28.203 -21.114 -12.222 1.00 64.04 H new ATOM 663 N THR A 158 20.972 -17.969 -12.573 1.00 13.45 N ATOM 664 CA THR A 158 20.241 -16.824 -13.103 1.00 20.44 C ATOM 665 C THR A 158 21.058 -15.544 -12.976 1.00 12.44 C ATOM 666 O THR A 158 22.158 -15.549 -12.423 1.00 63.11 O ATOM 667 CB THR A 158 18.894 -16.634 -12.380 1.00 71.43 C ATOM 668 OG1 THR A 158 18.546 -17.829 -11.671 1.00 54.41 O ATOM 669 CG2 THR A 158 17.793 -16.287 -13.371 1.00 32.50 C ATOM 0 H THR A 158 21.451 -17.791 -11.690 1.00 13.45 H new ATOM 0 HA THR A 158 20.053 -17.029 -14.157 1.00 20.44 H new ATOM 0 HB THR A 158 18.998 -15.810 -11.674 1.00 71.43 H new ATOM 0 HG1 THR A 158 18.133 -18.467 -12.289 1.00 54.41 H new ATOM 0 HG21 THR A 158 16.851 -16.158 -12.838 1.00 32.50 H new ATOM 0 HG22 THR A 158 18.047 -15.362 -13.888 1.00 32.50 H new ATOM 0 HG23 THR A 158 17.691 -17.093 -14.098 1.00 32.50 H new ATOM 677 N CYS A 159 20.513 -14.446 -13.490 1.00 34.33 N ATOM 678 CA CYS A 159 21.190 -13.157 -13.434 1.00 4.31 C ATOM 679 C CYS A 159 20.459 -12.198 -12.499 1.00 1.12 C ATOM 680 O CYS A 159 19.265 -12.353 -12.246 1.00 11.23 O ATOM 681 CB CYS A 159 21.287 -12.547 -14.834 1.00 2.13 C ATOM 682 SG CYS A 159 22.992 -12.358 -15.446 1.00 44.30 S ATOM 0 H CYS A 159 19.603 -14.424 -13.950 1.00 34.33 H new ATOM 0 HA CYS A 159 22.195 -13.320 -13.045 1.00 4.31 H new ATOM 0 HB2 CYS A 159 20.730 -13.173 -15.531 1.00 2.13 H new ATOM 0 HB3 CYS A 159 20.804 -11.570 -14.827 1.00 2.13 H new ATOM 687 N GLU A 160 21.185 -11.208 -11.990 1.00 2.54 N ATOM 688 CA GLU A 160 20.605 -10.224 -11.082 1.00 62.34 C ATOM 689 C GLU A 160 19.680 -9.270 -11.833 1.00 22.50 C ATOM 690 O GLU A 160 20.003 -8.806 -12.927 1.00 24.45 O ATOM 691 CB GLU A 160 21.710 -9.433 -10.379 1.00 13.13 C ATOM 692 CG GLU A 160 21.850 -9.765 -8.903 1.00 2.33 C ATOM 693 CD GLU A 160 22.511 -8.651 -8.115 1.00 5.43 C ATOM 694 OE1 GLU A 160 23.709 -8.388 -8.351 1.00 5.01 O ATOM 695 OE2 GLU A 160 21.832 -8.042 -7.262 1.00 51.23 O ATOM 0 H GLU A 160 22.175 -11.066 -12.190 1.00 2.54 H new ATOM 0 HA GLU A 160 20.018 -10.758 -10.334 1.00 62.34 H new ATOM 0 HB2 GLU A 160 22.659 -9.628 -10.878 1.00 13.13 H new ATOM 0 HB3 GLU A 160 21.507 -8.367 -10.486 1.00 13.13 H new ATOM 0 HG2 GLU A 160 20.864 -9.965 -8.484 1.00 2.33 H new ATOM 0 HG3 GLU A 160 22.434 -10.679 -8.794 1.00 2.33 H new ATOM 702 N VAL A 161 18.527 -8.983 -11.238 1.00 1.35 N ATOM 703 CA VAL A 161 17.555 -8.084 -11.848 1.00 73.32 C ATOM 704 C VAL A 161 16.798 -7.291 -10.789 1.00 20.24 C ATOM 705 O VAL A 161 16.575 -7.774 -9.679 1.00 75.21 O ATOM 706 CB VAL A 161 16.543 -8.858 -12.715 1.00 0.52 C ATOM 707 CG1 VAL A 161 15.610 -7.895 -13.433 1.00 74.13 C ATOM 708 CG2 VAL A 161 17.268 -9.752 -13.709 1.00 31.32 C ATOM 0 H VAL A 161 18.243 -9.360 -10.334 1.00 1.35 H new ATOM 0 HA VAL A 161 18.115 -7.395 -12.481 1.00 73.32 H new ATOM 0 HB VAL A 161 15.941 -9.492 -12.063 1.00 0.52 H new ATOM 0 HG11 VAL A 161 14.902 -8.459 -14.040 1.00 74.13 H new ATOM 0 HG12 VAL A 161 15.065 -7.301 -12.699 1.00 74.13 H new ATOM 0 HG13 VAL A 161 16.193 -7.234 -14.075 1.00 74.13 H new ATOM 0 HG21 VAL A 161 16.538 -10.291 -14.313 1.00 31.32 H new ATOM 0 HG22 VAL A 161 17.895 -9.141 -14.358 1.00 31.32 H new ATOM 0 HG23 VAL A 161 17.891 -10.466 -13.170 1.00 31.32 H new ATOM 718 N ALA A 162 16.406 -6.071 -11.139 1.00 15.30 N ATOM 719 CA ALA A 162 15.671 -5.211 -10.219 1.00 3.10 C ATOM 720 C ALA A 162 14.174 -5.251 -10.507 1.00 3.33 C ATOM 721 O ALA A 162 13.711 -4.712 -11.511 1.00 43.44 O ATOM 722 CB ALA A 162 16.189 -3.783 -10.304 1.00 43.10 C ATOM 0 H ALA A 162 16.585 -5.655 -12.053 1.00 15.30 H new ATOM 0 HA ALA A 162 15.829 -5.584 -9.207 1.00 3.10 H new ATOM 0 HB1 ALA A 162 15.631 -3.152 -9.612 1.00 43.10 H new ATOM 0 HB2 ALA A 162 17.247 -3.763 -10.041 1.00 43.10 H new ATOM 0 HB3 ALA A 162 16.061 -3.409 -11.320 1.00 43.10 H new ATOM 728 N ALA A 163 13.423 -5.893 -9.619 1.00 33.22 N ATOM 729 CA ALA A 163 11.978 -6.002 -9.777 1.00 52.13 C ATOM 730 C ALA A 163 11.286 -6.134 -8.425 1.00 34.20 C ATOM 731 O ALA A 163 11.921 -6.013 -7.378 1.00 21.44 O ATOM 732 CB ALA A 163 11.632 -7.187 -10.667 1.00 41.54 C ATOM 0 H ALA A 163 13.791 -6.346 -8.782 1.00 33.22 H new ATOM 0 HA ALA A 163 11.620 -5.088 -10.251 1.00 52.13 H new ATOM 0 HB1 ALA A 163 10.550 -7.256 -10.776 1.00 41.54 H new ATOM 0 HB2 ALA A 163 12.088 -7.051 -11.648 1.00 41.54 H new ATOM 0 HB3 ALA A 163 12.010 -8.104 -10.215 1.00 41.54 H new ATOM 738 N TRP A 164 9.981 -6.382 -8.455 1.00 63.13 N ATOM 739 CA TRP A 164 9.203 -6.530 -7.231 1.00 11.14 C ATOM 740 C TRP A 164 9.424 -7.904 -6.608 1.00 14.01 C ATOM 741 O TRP A 164 8.903 -8.908 -7.095 1.00 65.22 O ATOM 742 CB TRP A 164 7.716 -6.320 -7.519 1.00 14.22 C ATOM 743 CG TRP A 164 7.436 -5.096 -8.338 1.00 63.33 C ATOM 744 CD1 TRP A 164 7.395 -5.015 -9.701 1.00 13.51 C ATOM 745 CD2 TRP A 164 7.162 -3.780 -7.847 1.00 1.12 C ATOM 746 NE1 TRP A 164 7.111 -3.726 -10.086 1.00 61.31 N ATOM 747 CE2 TRP A 164 6.963 -2.950 -8.967 1.00 40.14 C ATOM 748 CE3 TRP A 164 7.063 -3.222 -6.569 1.00 42.15 C ATOM 749 CZ2 TRP A 164 6.673 -1.594 -8.847 1.00 13.55 C ATOM 750 CZ3 TRP A 164 6.775 -1.876 -6.451 1.00 43.52 C ATOM 751 CH2 TRP A 164 6.582 -1.074 -7.584 1.00 10.30 C ATOM 0 H TRP A 164 9.440 -6.485 -9.314 1.00 63.13 H new ATOM 0 HA TRP A 164 9.539 -5.773 -6.523 1.00 11.14 H new ATOM 0 HB2 TRP A 164 7.327 -7.194 -8.041 1.00 14.22 H new ATOM 0 HB3 TRP A 164 7.177 -6.247 -6.574 1.00 14.22 H new ATOM 0 HD1 TRP A 164 7.561 -5.841 -10.376 1.00 13.51 H new ATOM 0 HE1 TRP A 164 7.025 -3.400 -11.049 1.00 61.31 H new ATOM 0 HE3 TRP A 164 7.209 -3.832 -5.690 1.00 42.15 H new ATOM 0 HZ2 TRP A 164 6.525 -0.974 -9.719 1.00 13.55 H new ATOM 0 HZ3 TRP A 164 6.697 -1.434 -5.469 1.00 43.52 H new ATOM 0 HH2 TRP A 164 6.357 -0.025 -7.458 1.00 10.30 H new ATOM 762 N CYS A 165 10.197 -7.942 -5.528 1.00 64.34 N ATOM 763 CA CYS A 165 10.487 -9.194 -4.839 1.00 3.53 C ATOM 764 C CYS A 165 10.814 -8.942 -3.369 1.00 51.24 C ATOM 765 O CYS A 165 11.281 -7.869 -2.986 1.00 54.25 O ATOM 766 CB CYS A 165 11.654 -9.915 -5.516 1.00 5.24 C ATOM 767 SG CYS A 165 13.275 -9.132 -5.235 1.00 24.42 S ATOM 0 H CYS A 165 10.634 -7.120 -5.111 1.00 64.34 H new ATOM 0 HA CYS A 165 9.599 -9.824 -4.893 1.00 3.53 H new ATOM 0 HB2 CYS A 165 11.691 -10.943 -5.154 1.00 5.24 H new ATOM 0 HB3 CYS A 165 11.466 -9.961 -6.589 1.00 5.24 H new