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 153 ASN : amide:sc= -0.321 K(o=-0.32,f=-0.88) USER MOD Set 1.2: A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,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 -137:sc= -0.899 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 160:sc= -0.123 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.265 -1.505 -5.727 1.00 5.32 N ATOM 50 CA GLN A 113 11.052 -2.493 -6.456 1.00 1.43 C ATOM 51 C GLN A 113 12.316 -2.858 -5.685 1.00 4.00 C ATOM 52 O GLN A 113 13.014 -1.985 -5.168 1.00 61.51 O ATOM 53 CB GLN A 113 11.421 -1.960 -7.841 1.00 63.03 C ATOM 54 CG GLN A 113 10.269 -1.994 -8.833 1.00 4.42 C ATOM 55 CD GLN A 113 10.722 -1.763 -10.261 1.00 71.52 C ATOM 56 OE1 GLN A 113 10.800 -2.699 -11.058 1.00 42.11 O ATOM 57 NE2 GLN A 113 11.023 -0.513 -10.593 1.00 72.40 N ATOM 0 HA GLN A 113 10.446 -3.392 -6.570 1.00 1.43 H new ATOM 0 HB2 GLN A 113 11.775 -0.934 -7.744 1.00 63.03 H new ATOM 0 HB3 GLN A 113 12.249 -2.547 -8.238 1.00 63.03 H new ATOM 0 HG2 GLN A 113 9.766 -2.959 -8.767 1.00 4.42 H new ATOM 0 HG3 GLN A 113 9.537 -1.234 -8.560 1.00 4.42 H new ATOM 0 HE21 GLN A 113 10.944 0.232 -9.901 1.00 72.40 H new ATOM 0 HE22 GLN A 113 11.333 -0.298 -11.541 1.00 72.40 H new ATOM 66 N SER A 114 12.605 -4.153 -5.612 1.00 23.33 N ATOM 67 CA SER A 114 13.784 -4.635 -4.900 1.00 53.33 C ATOM 68 C SER A 114 14.720 -5.384 -5.844 1.00 12.41 C ATOM 69 O SER A 114 14.384 -5.635 -7.002 1.00 35.34 O ATOM 70 CB SER A 114 13.370 -5.547 -3.744 1.00 0.12 C ATOM 71 OG SER A 114 13.046 -4.792 -2.589 1.00 41.33 O ATOM 0 H SER A 114 12.039 -4.888 -6.037 1.00 23.33 H new ATOM 0 HA SER A 114 14.315 -3.771 -4.500 1.00 53.33 H new ATOM 0 HB2 SER A 114 12.511 -6.149 -4.041 1.00 0.12 H new ATOM 0 HB3 SER A 114 14.180 -6.239 -3.514 1.00 0.12 H new ATOM 0 HG SER A 114 12.783 -5.398 -1.865 1.00 41.33 H new ATOM 77 N THR A 115 15.898 -5.738 -5.341 1.00 3.24 N ATOM 78 CA THR A 115 16.885 -6.457 -6.137 1.00 54.40 C ATOM 79 C THR A 115 16.923 -7.934 -5.762 1.00 40.34 C ATOM 80 O THR A 115 16.808 -8.291 -4.590 1.00 13.45 O ATOM 81 CB THR A 115 18.293 -5.857 -5.962 1.00 32.52 C ATOM 82 OG1 THR A 115 18.448 -5.353 -4.631 1.00 25.14 O ATOM 83 CG2 THR A 115 18.534 -4.739 -6.965 1.00 32.25 C ATOM 0 H THR A 115 16.192 -5.538 -4.385 1.00 3.24 H new ATOM 0 HA THR A 115 16.584 -6.358 -7.180 1.00 54.40 H new ATOM 0 HB THR A 115 19.025 -6.645 -6.139 1.00 32.52 H new ATOM 0 HG1 THR A 115 19.346 -4.975 -4.527 1.00 25.14 H new ATOM 0 HG21 THR A 115 19.535 -4.331 -6.822 1.00 32.25 H new ATOM 0 HG22 THR A 115 18.444 -5.133 -7.977 1.00 32.25 H new ATOM 0 HG23 THR A 115 17.796 -3.951 -6.816 1.00 32.25 H new ATOM 91 N CYS A 116 17.086 -8.790 -6.766 1.00 4.34 N ATOM 92 CA CYS A 116 17.141 -10.229 -6.542 1.00 75.30 C ATOM 93 C CYS A 116 17.428 -10.972 -7.844 1.00 4.51 C ATOM 94 O CYS A 116 17.178 -10.472 -8.941 1.00 3.31 O ATOM 95 CB CYS A 116 15.823 -10.723 -5.941 1.00 71.12 C ATOM 96 SG CYS A 116 14.337 -10.038 -6.743 1.00 24.31 S ATOM 0 H CYS A 116 17.182 -8.511 -7.742 1.00 4.34 H new ATOM 0 HA CYS A 116 17.951 -10.432 -5.842 1.00 75.30 H new ATOM 0 HB2 CYS A 116 15.790 -11.810 -6.008 1.00 71.12 H new ATOM 0 HB3 CYS A 116 15.801 -10.468 -4.881 1.00 71.12 H new ATOM 101 N PRO A 117 17.967 -12.194 -7.721 1.00 52.14 N ATOM 102 CA PRO A 117 18.300 -13.032 -8.877 1.00 53.33 C ATOM 103 C PRO A 117 17.058 -13.544 -9.599 1.00 11.02 C ATOM 104 O PRO A 117 16.166 -14.125 -8.981 1.00 62.03 O ATOM 105 CB PRO A 117 19.077 -14.196 -8.259 1.00 64.20 C ATOM 106 CG PRO A 117 18.596 -14.268 -6.851 1.00 4.21 C ATOM 107 CD PRO A 117 18.292 -12.852 -6.445 1.00 35.40 C ATOM 0 HA PRO A 117 18.860 -12.481 -9.632 1.00 53.33 H new ATOM 0 HB2 PRO A 117 18.884 -15.127 -8.791 1.00 64.20 H new ATOM 0 HB3 PRO A 117 20.152 -14.021 -8.302 1.00 64.20 H new ATOM 0 HG2 PRO A 117 17.708 -14.896 -6.773 1.00 4.21 H new ATOM 0 HG3 PRO A 117 19.354 -14.706 -6.202 1.00 4.21 H new ATOM 0 HD2 PRO A 117 17.458 -12.805 -5.745 1.00 35.40 H new ATOM 0 HD3 PRO A 117 19.145 -12.382 -5.956 1.00 35.40 H new ATOM 115 N GLU A 118 17.008 -13.325 -10.909 1.00 55.40 N ATOM 116 CA GLU A 118 15.874 -13.765 -11.714 1.00 13.45 C ATOM 117 C GLU A 118 15.583 -15.245 -11.481 1.00 2.51 C ATOM 118 O GLU A 118 16.465 -16.005 -11.081 1.00 61.54 O ATOM 119 CB GLU A 118 16.146 -13.514 -13.198 1.00 74.23 C ATOM 120 CG GLU A 118 14.905 -13.616 -14.070 1.00 2.21 C ATOM 121 CD GLU A 118 13.754 -12.779 -13.546 1.00 60.20 C ATOM 122 OE1 GLU A 118 13.736 -11.560 -13.817 1.00 23.04 O ATOM 123 OE2 GLU A 118 12.872 -13.343 -12.866 1.00 14.12 O ATOM 0 H GLU A 118 17.739 -12.846 -11.435 1.00 55.40 H new ATOM 0 HA GLU A 118 15.000 -13.189 -11.410 1.00 13.45 H new ATOM 0 HB2 GLU A 118 16.582 -12.522 -13.316 1.00 74.23 H new ATOM 0 HB3 GLU A 118 16.887 -14.232 -13.550 1.00 74.23 H new ATOM 0 HG2 GLU A 118 15.150 -13.297 -15.083 1.00 2.21 H new ATOM 0 HG3 GLU A 118 14.593 -14.659 -14.131 1.00 2.21 H new ATOM 130 N ILE A 119 14.341 -15.644 -11.733 1.00 65.31 N ATOM 131 CA ILE A 119 13.935 -17.032 -11.552 1.00 33.31 C ATOM 132 C ILE A 119 14.497 -17.919 -12.658 1.00 1.22 C ATOM 133 O ILE A 119 14.419 -17.599 -13.844 1.00 51.02 O ATOM 134 CB ILE A 119 12.401 -17.171 -11.528 1.00 50.14 C ATOM 135 CG1 ILE A 119 11.803 -16.278 -10.440 1.00 0.44 C ATOM 136 CG2 ILE A 119 12.004 -18.623 -11.307 1.00 52.22 C ATOM 137 CD1 ILE A 119 12.304 -16.602 -9.050 1.00 13.35 C ATOM 0 H ILE A 119 13.599 -15.026 -12.063 1.00 65.31 H new ATOM 0 HA ILE A 119 14.337 -17.355 -10.592 1.00 33.31 H new ATOM 0 HB ILE A 119 12.007 -16.850 -12.492 1.00 50.14 H new ATOM 0 HG12 ILE A 119 12.034 -15.237 -10.667 1.00 0.44 H new ATOM 0 HG13 ILE A 119 10.717 -16.375 -10.458 1.00 0.44 H new ATOM 0 HG21 ILE A 119 10.917 -18.705 -11.292 1.00 52.22 H new ATOM 0 HG22 ILE A 119 12.403 -19.236 -12.115 1.00 52.22 H new ATOM 0 HG23 ILE A 119 12.407 -18.969 -10.355 1.00 52.22 H new ATOM 0 HD11 ILE A 119 11.838 -15.930 -8.329 1.00 13.35 H new ATOM 0 HD12 ILE A 119 12.049 -17.632 -8.802 1.00 13.35 H new ATOM 0 HD13 ILE A 119 13.386 -16.478 -9.015 1.00 13.35 H new ATOM 149 N PRO A 120 15.077 -19.062 -12.262 1.00 40.24 N ATOM 150 CA PRO A 120 15.662 -20.020 -13.205 1.00 70.10 C ATOM 151 C PRO A 120 14.603 -20.732 -14.040 1.00 41.43 C ATOM 152 O PRO A 120 13.529 -21.068 -13.542 1.00 55.42 O ATOM 153 CB PRO A 120 16.384 -21.017 -12.295 1.00 42.11 C ATOM 154 CG PRO A 120 15.663 -20.934 -10.994 1.00 51.33 C ATOM 155 CD PRO A 120 15.206 -19.507 -10.865 1.00 33.13 C ATOM 0 HA PRO A 120 16.315 -19.532 -13.929 1.00 70.10 H new ATOM 0 HB2 PRO A 120 16.346 -22.026 -12.705 1.00 42.11 H new ATOM 0 HB3 PRO A 120 17.437 -20.759 -12.181 1.00 42.11 H new ATOM 0 HG2 PRO A 120 14.815 -21.619 -10.973 1.00 51.33 H new ATOM 0 HG3 PRO A 120 16.317 -21.211 -10.167 1.00 51.33 H new ATOM 0 HD2 PRO A 120 14.258 -19.435 -10.331 1.00 33.13 H new ATOM 0 HD3 PRO A 120 15.928 -18.902 -10.316 1.00 33.13 H new ATOM 163 N ASP A 121 14.914 -20.959 -15.312 1.00 14.32 N ATOM 164 CA ASP A 121 13.989 -21.632 -16.216 1.00 72.21 C ATOM 165 C ASP A 121 14.711 -22.694 -17.040 1.00 13.01 C ATOM 166 O ASP A 121 15.886 -22.543 -17.376 1.00 14.55 O ATOM 167 CB ASP A 121 13.319 -20.617 -17.144 1.00 20.32 C ATOM 168 CG ASP A 121 11.903 -20.287 -16.715 1.00 32.40 C ATOM 169 OD1 ASP A 121 11.183 -21.212 -16.283 1.00 65.13 O ATOM 170 OD2 ASP A 121 11.513 -19.105 -16.812 1.00 5.51 O ATOM 0 H ASP A 121 15.799 -20.687 -15.740 1.00 14.32 H new ATOM 0 HA ASP A 121 13.224 -22.122 -15.614 1.00 72.21 H new ATOM 0 HB2 ASP A 121 13.911 -19.702 -17.166 1.00 20.32 H new ATOM 0 HB3 ASP A 121 13.305 -21.012 -18.160 1.00 20.32 H new ATOM 175 N LYS A 122 14.000 -23.770 -17.362 1.00 5.30 N ATOM 176 CA LYS A 122 14.572 -24.858 -18.147 1.00 11.25 C ATOM 177 C LYS A 122 14.965 -24.376 -19.539 1.00 65.02 C ATOM 178 O LYS A 122 15.725 -25.039 -20.246 1.00 21.51 O ATOM 179 CB LYS A 122 13.574 -26.013 -18.258 1.00 11.42 C ATOM 180 CG LYS A 122 13.735 -27.062 -17.172 1.00 71.40 C ATOM 181 CD LYS A 122 12.770 -28.220 -17.368 1.00 42.02 C ATOM 182 CE LYS A 122 12.695 -29.099 -16.129 1.00 14.51 C ATOM 183 NZ LYS A 122 12.332 -30.503 -16.466 1.00 24.10 N ATOM 0 H LYS A 122 13.027 -23.912 -17.091 1.00 5.30 H new ATOM 0 HA LYS A 122 15.469 -25.209 -17.637 1.00 11.25 H new ATOM 0 HB2 LYS A 122 12.561 -25.612 -18.217 1.00 11.42 H new ATOM 0 HB3 LYS A 122 13.689 -26.489 -19.232 1.00 11.42 H new ATOM 0 HG2 LYS A 122 14.759 -27.436 -17.175 1.00 71.40 H new ATOM 0 HG3 LYS A 122 13.565 -26.606 -16.197 1.00 71.40 H new ATOM 0 HD2 LYS A 122 11.778 -27.833 -17.601 1.00 42.02 H new ATOM 0 HD3 LYS A 122 13.087 -28.819 -18.222 1.00 42.02 H new ATOM 0 HE2 LYS A 122 13.656 -29.086 -15.616 1.00 14.51 H new ATOM 0 HE3 LYS A 122 11.959 -28.690 -15.437 1.00 14.51 H new ATOM 0 HZ1 LYS A 122 12.291 -31.070 -15.595 1.00 24.10 H new ATOM 0 HZ2 LYS A 122 11.403 -30.519 -16.933 1.00 24.10 H new ATOM 0 HZ3 LYS A 122 13.048 -30.903 -17.106 1.00 24.10 H new ATOM 197 N THR A 123 14.445 -23.216 -19.928 1.00 71.25 N ATOM 198 CA THR A 123 14.742 -22.646 -21.236 1.00 41.51 C ATOM 199 C THR A 123 15.461 -21.308 -21.102 1.00 11.01 C ATOM 200 O THR A 123 16.045 -20.807 -22.063 1.00 20.23 O ATOM 201 CB THR A 123 13.460 -22.445 -22.066 1.00 61.43 C ATOM 202 OG1 THR A 123 12.596 -21.507 -21.415 1.00 63.21 O ATOM 203 CG2 THR A 123 12.729 -23.765 -22.260 1.00 23.50 C ATOM 0 H THR A 123 13.816 -22.653 -19.356 1.00 71.25 H new ATOM 0 HA THR A 123 15.391 -23.355 -21.749 1.00 41.51 H new ATOM 0 HB THR A 123 13.744 -22.057 -23.044 1.00 61.43 H new ATOM 0 HG1 THR A 123 11.784 -21.384 -21.950 1.00 63.21 H new ATOM 0 HG21 THR A 123 11.827 -23.598 -22.849 1.00 23.50 H new ATOM 0 HG22 THR A 123 13.379 -24.467 -22.782 1.00 23.50 H new ATOM 0 HG23 THR A 123 12.457 -24.176 -21.288 1.00 23.50 H new ATOM 211 N SER A 124 15.415 -20.734 -19.904 1.00 32.33 N ATOM 212 CA SER A 124 16.060 -19.452 -19.645 1.00 34.32 C ATOM 213 C SER A 124 17.207 -19.612 -18.652 1.00 41.01 C ATOM 214 O SER A 124 16.988 -19.896 -17.474 1.00 50.50 O ATOM 215 CB SER A 124 15.042 -18.445 -19.107 1.00 55.20 C ATOM 216 OG SER A 124 15.220 -17.172 -19.703 1.00 3.41 O ATOM 0 H SER A 124 14.938 -21.136 -19.097 1.00 32.33 H new ATOM 0 HA SER A 124 16.466 -19.081 -20.586 1.00 34.32 H new ATOM 0 HB2 SER A 124 14.032 -18.804 -19.304 1.00 55.20 H new ATOM 0 HB3 SER A 124 15.146 -18.361 -18.025 1.00 55.20 H new ATOM 0 HG SER A 124 14.556 -16.547 -19.344 1.00 3.41 H new ATOM 222 N ILE A 125 18.430 -19.428 -19.137 1.00 64.01 N ATOM 223 CA ILE A 125 19.613 -19.550 -18.293 1.00 75.42 C ATOM 224 C ILE A 125 20.445 -18.274 -18.325 1.00 45.53 C ATOM 225 O ILE A 125 20.312 -17.455 -19.236 1.00 24.04 O ATOM 226 CB ILE A 125 20.494 -20.736 -18.728 1.00 21.12 C ATOM 227 CG1 ILE A 125 19.634 -21.840 -19.345 1.00 74.41 C ATOM 228 CG2 ILE A 125 21.283 -21.272 -17.542 1.00 71.14 C ATOM 229 CD1 ILE A 125 18.573 -22.374 -18.409 1.00 35.35 C ATOM 0 H ILE A 125 18.628 -19.194 -20.110 1.00 64.01 H new ATOM 0 HA ILE A 125 19.259 -19.724 -17.277 1.00 75.42 H new ATOM 0 HB ILE A 125 21.200 -20.388 -19.482 1.00 21.12 H new ATOM 0 HG12 ILE A 125 19.153 -21.455 -20.244 1.00 74.41 H new ATOM 0 HG13 ILE A 125 20.280 -22.661 -19.656 1.00 74.41 H new ATOM 0 HG21 ILE A 125 21.901 -22.110 -17.865 1.00 71.14 H new ATOM 0 HG22 ILE A 125 21.921 -20.483 -17.143 1.00 71.14 H new ATOM 0 HG23 ILE A 125 20.593 -21.607 -16.768 1.00 71.14 H new ATOM 0 HD11 ILE A 125 18.002 -23.153 -18.913 1.00 35.35 H new ATOM 0 HD12 ILE A 125 19.048 -22.790 -17.520 1.00 35.35 H new ATOM 0 HD13 ILE A 125 17.904 -21.564 -18.118 1.00 35.35 H new ATOM 241 N CYS A 126 21.306 -18.110 -17.326 1.00 64.04 N ATOM 242 CA CYS A 126 22.163 -16.934 -17.240 1.00 3.25 C ATOM 243 C CYS A 126 23.613 -17.293 -17.552 1.00 2.22 C ATOM 244 O CYS A 126 24.092 -18.364 -17.182 1.00 35.03 O ATOM 245 CB CYS A 126 22.070 -16.311 -15.845 1.00 54.54 C ATOM 246 SG CYS A 126 23.301 -15.006 -15.530 1.00 2.11 S ATOM 0 H CYS A 126 21.429 -18.777 -16.564 1.00 64.04 H new ATOM 0 HA CYS A 126 21.819 -16.210 -17.979 1.00 3.25 H new ATOM 0 HB2 CYS A 126 21.072 -15.894 -15.711 1.00 54.54 H new ATOM 0 HB3 CYS A 126 22.190 -17.097 -15.099 1.00 54.54 H new ATOM 251 N ASN A 127 24.307 -16.388 -18.235 1.00 71.32 N ATOM 252 CA ASN A 127 25.702 -16.609 -18.598 1.00 21.22 C ATOM 253 C ASN A 127 26.636 -15.878 -17.638 1.00 51.44 C ATOM 254 O ASN A 127 26.186 -15.180 -16.730 1.00 3.34 O ATOM 255 CB ASN A 127 25.958 -16.142 -20.032 1.00 62.11 C ATOM 256 CG ASN A 127 24.916 -16.660 -21.004 1.00 35.33 C ATOM 257 OD1 ASN A 127 25.050 -17.756 -21.550 1.00 13.53 O ATOM 258 ND2 ASN A 127 23.869 -15.873 -21.224 1.00 42.22 N ATOM 0 H ASN A 127 23.926 -15.495 -18.548 1.00 71.32 H new ATOM 0 HA ASN A 127 25.904 -17.678 -18.530 1.00 21.22 H new ATOM 0 HB2 ASN A 127 25.967 -15.052 -20.060 1.00 62.11 H new ATOM 0 HB3 ASN A 127 26.945 -16.477 -20.349 1.00 62.11 H new ATOM 0 HD21 ASN A 127 23.135 -16.169 -21.867 1.00 42.22 H new ATOM 0 HD22 ASN A 127 23.799 -14.973 -20.750 1.00 42.22 H new ATOM 265 N SER A 128 27.938 -16.042 -17.848 1.00 62.01 N ATOM 266 CA SER A 128 28.936 -15.400 -17.000 1.00 71.13 C ATOM 267 C SER A 128 28.814 -13.881 -17.073 1.00 31.04 C ATOM 268 O SER A 128 28.084 -13.345 -17.906 1.00 52.24 O ATOM 269 CB SER A 128 30.344 -15.830 -17.418 1.00 35.44 C ATOM 270 OG SER A 128 30.711 -17.047 -16.792 1.00 23.43 O ATOM 0 H SER A 128 28.327 -16.614 -18.598 1.00 62.01 H new ATOM 0 HA SER A 128 28.758 -15.713 -15.971 1.00 71.13 H new ATOM 0 HB2 SER A 128 30.386 -15.947 -18.501 1.00 35.44 H new ATOM 0 HB3 SER A 128 31.059 -15.051 -17.154 1.00 35.44 H new ATOM 0 HG SER A 128 31.614 -17.302 -17.076 1.00 23.43 H new ATOM 276 N ASP A 129 29.534 -13.194 -16.193 1.00 50.40 N ATOM 277 CA ASP A 129 29.508 -11.736 -16.156 1.00 63.04 C ATOM 278 C ASP A 129 29.913 -11.151 -17.506 1.00 73.31 C ATOM 279 O ASP A 129 29.441 -10.084 -17.898 1.00 21.33 O ATOM 280 CB ASP A 129 30.441 -11.216 -15.061 1.00 55.42 C ATOM 281 CG ASP A 129 31.786 -11.915 -15.065 1.00 75.21 C ATOM 282 OD1 ASP A 129 31.890 -13.003 -14.461 1.00 10.44 O ATOM 283 OD2 ASP A 129 32.734 -11.375 -15.672 1.00 40.31 O ATOM 0 H ASP A 129 30.143 -13.623 -15.496 1.00 50.40 H new ATOM 0 HA ASP A 129 28.488 -11.421 -15.934 1.00 63.04 H new ATOM 0 HB2 ASP A 129 30.591 -10.145 -15.195 1.00 55.42 H new ATOM 0 HB3 ASP A 129 29.967 -11.353 -14.089 1.00 55.42 H new ATOM 288 N ALA A 130 30.790 -11.857 -18.212 1.00 71.21 N ATOM 289 CA ALA A 130 31.257 -11.409 -19.518 1.00 1.20 C ATOM 290 C ALA A 130 30.233 -11.719 -20.604 1.00 35.21 C ATOM 291 O ALA A 130 30.422 -11.368 -21.768 1.00 43.44 O ATOM 292 CB ALA A 130 32.594 -12.055 -19.851 1.00 11.23 C ATOM 0 H ALA A 130 31.191 -12.742 -17.901 1.00 71.21 H new ATOM 0 HA ALA A 130 31.388 -10.328 -19.477 1.00 1.20 H new ATOM 0 HB1 ALA A 130 32.931 -11.711 -20.829 1.00 11.23 H new ATOM 0 HB2 ALA A 130 33.330 -11.778 -19.096 1.00 11.23 H new ATOM 0 HB3 ALA A 130 32.480 -13.139 -19.867 1.00 11.23 H new ATOM 298 N ASP A 131 29.148 -12.380 -20.215 1.00 74.04 N ATOM 299 CA ASP A 131 28.092 -12.738 -21.156 1.00 43.33 C ATOM 300 C ASP A 131 26.729 -12.290 -20.639 1.00 73.22 C ATOM 301 O ASP A 131 25.698 -12.566 -21.254 1.00 63.25 O ATOM 302 CB ASP A 131 28.088 -14.247 -21.401 1.00 64.44 C ATOM 303 CG ASP A 131 29.256 -14.698 -22.258 1.00 14.14 C ATOM 304 OD1 ASP A 131 30.413 -14.454 -21.858 1.00 40.40 O ATOM 305 OD2 ASP A 131 29.012 -15.294 -23.328 1.00 34.13 O ATOM 0 H ASP A 131 28.976 -12.679 -19.255 1.00 74.04 H new ATOM 0 HA ASP A 131 28.289 -12.226 -22.098 1.00 43.33 H new ATOM 0 HB2 ASP A 131 28.121 -14.768 -20.444 1.00 64.44 H new ATOM 0 HB3 ASP A 131 27.154 -14.531 -21.886 1.00 64.44 H new ATOM 310 N CYS A 132 26.730 -11.599 -19.504 1.00 53.14 N ATOM 311 CA CYS A 132 25.493 -11.114 -18.903 1.00 24.13 C ATOM 312 C CYS A 132 25.490 -9.590 -18.819 1.00 61.41 C ATOM 313 O CYS A 132 26.430 -8.983 -18.305 1.00 10.01 O ATOM 314 CB CYS A 132 25.312 -11.713 -17.506 1.00 43.24 C ATOM 315 SG CYS A 132 23.574 -11.877 -16.987 1.00 52.44 S ATOM 0 H CYS A 132 27.574 -11.362 -18.982 1.00 53.14 H new ATOM 0 HA CYS A 132 24.663 -11.427 -19.536 1.00 24.13 H new ATOM 0 HB2 CYS A 132 25.782 -12.696 -17.480 1.00 43.24 H new ATOM 0 HB3 CYS A 132 25.838 -11.089 -16.784 1.00 43.24 H new ATOM 320 N THR A 133 24.426 -8.978 -19.328 1.00 51.54 N ATOM 321 CA THR A 133 24.300 -7.526 -19.313 1.00 14.33 C ATOM 322 C THR A 133 23.077 -7.089 -18.514 1.00 53.25 C ATOM 323 O THR A 133 22.056 -7.776 -18.471 1.00 11.20 O ATOM 324 CB THR A 133 24.198 -6.955 -20.740 1.00 32.21 C ATOM 325 OG1 THR A 133 23.464 -7.856 -21.576 1.00 75.14 O ATOM 326 CG2 THR A 133 25.581 -6.721 -21.329 1.00 74.11 C ATOM 0 H THR A 133 23.639 -9.465 -19.756 1.00 51.54 H new ATOM 0 HA THR A 133 25.200 -7.136 -18.838 1.00 14.33 H new ATOM 0 HB THR A 133 23.676 -6.000 -20.689 1.00 32.21 H new ATOM 0 HG1 THR A 133 23.402 -7.485 -22.481 1.00 75.14 H new ATOM 0 HG21 THR A 133 25.484 -6.318 -22.337 1.00 74.11 H new ATOM 0 HG22 THR A 133 26.127 -6.013 -20.706 1.00 74.11 H new ATOM 0 HG23 THR A 133 26.125 -7.665 -21.367 1.00 74.11 H new ATOM 334 N PRO A 134 23.179 -5.918 -17.867 1.00 74.43 N ATOM 335 CA PRO A 134 22.089 -5.363 -17.059 1.00 52.04 C ATOM 336 C PRO A 134 20.912 -4.901 -17.912 1.00 44.34 C ATOM 337 O PRO A 134 20.863 -5.164 -19.113 1.00 55.52 O ATOM 338 CB PRO A 134 22.741 -4.170 -16.356 1.00 50.13 C ATOM 339 CG PRO A 134 23.867 -3.774 -17.248 1.00 23.34 C ATOM 340 CD PRO A 134 24.366 -5.047 -17.875 1.00 15.21 C ATOM 0 HA PRO A 134 21.671 -6.102 -16.375 1.00 52.04 H new ATOM 0 HB2 PRO A 134 22.033 -3.352 -16.226 1.00 50.13 H new ATOM 0 HB3 PRO A 134 23.099 -4.443 -15.363 1.00 50.13 H new ATOM 0 HG2 PRO A 134 23.533 -3.069 -18.009 1.00 23.34 H new ATOM 0 HG3 PRO A 134 24.658 -3.281 -16.683 1.00 23.34 H new ATOM 0 HD2 PRO A 134 24.735 -4.879 -18.887 1.00 15.21 H new ATOM 0 HD3 PRO A 134 25.187 -5.481 -17.305 1.00 15.21 H new ATOM 348 N GLY A 135 19.966 -4.210 -17.283 1.00 44.43 N ATOM 349 CA GLY A 135 18.803 -3.722 -18.001 1.00 2.53 C ATOM 350 C GLY A 135 18.027 -4.836 -18.673 1.00 61.35 C ATOM 351 O GLY A 135 17.431 -5.679 -18.003 1.00 25.50 O ATOM 0 H GLY A 135 19.984 -3.980 -16.290 1.00 44.43 H new ATOM 0 HA2 GLY A 135 18.148 -3.194 -17.309 1.00 2.53 H new ATOM 0 HA3 GLY A 135 19.121 -3.000 -18.753 1.00 2.53 H new ATOM 447 N GLY A 143 11.701 -6.442 -14.800 1.00 4.30 N ATOM 448 CA GLY A 143 12.751 -5.970 -13.916 1.00 12.42 C ATOM 449 C GLY A 143 13.945 -5.424 -14.673 1.00 62.10 C ATOM 450 O GLY A 143 13.936 -5.366 -15.903 1.00 2.23 O ATOM 0 HA2 GLY A 143 12.351 -5.193 -13.265 1.00 12.42 H new ATOM 0 HA3 GLY A 143 13.076 -6.788 -13.273 1.00 12.42 H new ATOM 454 N VAL A 144 14.977 -5.022 -13.938 1.00 12.54 N ATOM 455 CA VAL A 144 16.184 -4.477 -14.547 1.00 62.23 C ATOM 456 C VAL A 144 17.412 -5.292 -14.158 1.00 21.44 C ATOM 457 O VAL A 144 17.851 -5.262 -13.008 1.00 51.23 O ATOM 458 CB VAL A 144 16.406 -3.009 -14.139 1.00 52.42 C ATOM 459 CG1 VAL A 144 17.578 -2.413 -14.904 1.00 3.04 C ATOM 460 CG2 VAL A 144 15.141 -2.196 -14.369 1.00 12.53 C ATOM 0 H VAL A 144 15.001 -5.064 -12.919 1.00 12.54 H new ATOM 0 HA VAL A 144 16.044 -4.529 -15.627 1.00 62.23 H new ATOM 0 HB VAL A 144 16.644 -2.978 -13.076 1.00 52.42 H new ATOM 0 HG11 VAL A 144 17.719 -1.375 -14.602 1.00 3.04 H new ATOM 0 HG12 VAL A 144 18.482 -2.981 -14.685 1.00 3.04 H new ATOM 0 HG13 VAL A 144 17.373 -2.455 -15.974 1.00 3.04 H new ATOM 0 HG21 VAL A 144 15.315 -1.161 -14.075 1.00 12.53 H new ATOM 0 HG22 VAL A 144 14.871 -2.233 -15.424 1.00 12.53 H new ATOM 0 HG23 VAL A 144 14.329 -2.610 -13.772 1.00 12.53 H new ATOM 470 N ALA A 145 17.963 -6.021 -15.123 1.00 53.22 N ATOM 471 CA ALA A 145 19.142 -6.843 -14.882 1.00 41.30 C ATOM 472 C ALA A 145 20.285 -6.009 -14.312 1.00 33.33 C ATOM 473 O ALA A 145 20.390 -4.812 -14.582 1.00 71.51 O ATOM 474 CB ALA A 145 19.578 -7.530 -16.167 1.00 61.24 C ATOM 0 H ALA A 145 17.611 -6.059 -16.080 1.00 53.22 H new ATOM 0 HA ALA A 145 18.880 -7.604 -14.147 1.00 41.30 H new ATOM 0 HB1 ALA A 145 20.460 -8.141 -15.972 1.00 61.24 H new ATOM 0 HB2 ALA A 145 18.771 -8.165 -16.532 1.00 61.24 H new ATOM 0 HB3 ALA A 145 19.817 -6.778 -16.919 1.00 61.24 H new ATOM 480 N THR A 146 21.140 -6.649 -13.520 1.00 31.02 N ATOM 481 CA THR A 146 22.274 -5.966 -12.910 1.00 32.43 C ATOM 482 C THR A 146 23.573 -6.304 -13.632 1.00 72.53 C ATOM 483 O THR A 146 24.441 -5.450 -13.801 1.00 4.24 O ATOM 484 CB THR A 146 22.417 -6.335 -11.421 1.00 32.10 C ATOM 485 OG1 THR A 146 21.138 -6.679 -10.876 1.00 52.43 O ATOM 486 CG2 THR A 146 23.016 -5.180 -10.633 1.00 31.34 C ATOM 0 H THR A 146 21.068 -7.639 -13.286 1.00 31.02 H new ATOM 0 HA THR A 146 22.082 -4.896 -12.995 1.00 32.43 H new ATOM 0 HB THR A 146 23.086 -7.192 -11.344 1.00 32.10 H new ATOM 0 HG1 THR A 146 21.039 -6.270 -9.991 1.00 52.43 H new ATOM 0 HG21 THR A 146 23.107 -5.464 -9.585 1.00 31.34 H new ATOM 0 HG22 THR A 146 24.002 -4.940 -11.031 1.00 31.34 H new ATOM 0 HG23 THR A 146 22.368 -4.307 -10.718 1.00 31.34 H new ATOM 494 N GLY A 147 23.699 -7.558 -14.059 1.00 13.43 N ATOM 495 CA GLY A 147 24.895 -7.986 -14.759 1.00 63.12 C ATOM 496 C GLY A 147 25.592 -9.139 -14.065 1.00 30.41 C ATOM 497 O GLY A 147 26.167 -10.010 -14.718 1.00 43.23 O ATOM 0 H GLY A 147 22.994 -8.284 -13.932 1.00 13.43 H new ATOM 0 HA2 GLY A 147 24.631 -8.283 -15.774 1.00 63.12 H new ATOM 0 HA3 GLY A 147 25.584 -7.146 -14.842 1.00 63.12 H new ATOM 501 N ARG A 148 25.542 -9.146 -12.737 1.00 0.32 N ATOM 502 CA ARG A 148 26.176 -10.199 -11.953 1.00 71.34 C ATOM 503 C ARG A 148 25.359 -11.487 -12.013 1.00 3.14 C ATOM 504 O ARG A 148 24.162 -11.490 -11.723 1.00 44.43 O ATOM 505 CB ARG A 148 26.341 -9.754 -10.499 1.00 51.23 C ATOM 506 CG ARG A 148 27.590 -8.923 -10.255 1.00 22.33 C ATOM 507 CD ARG A 148 27.402 -7.486 -10.715 1.00 25.05 C ATOM 508 NE ARG A 148 28.611 -6.688 -10.525 1.00 62.52 N ATOM 509 CZ ARG A 148 29.647 -6.716 -11.356 1.00 41.43 C ATOM 510 NH1 ARG A 148 29.621 -7.496 -12.428 1.00 4.21 N ATOM 511 NH2 ARG A 148 30.712 -5.961 -11.116 1.00 53.33 N ATOM 0 H ARG A 148 25.069 -8.434 -12.181 1.00 0.32 H new ATOM 0 HA ARG A 148 27.160 -10.392 -12.379 1.00 71.34 H new ATOM 0 HB2 ARG A 148 25.466 -9.175 -10.203 1.00 51.23 H new ATOM 0 HB3 ARG A 148 26.371 -10.636 -9.859 1.00 51.23 H new ATOM 0 HG2 ARG A 148 27.836 -8.937 -9.193 1.00 22.33 H new ATOM 0 HG3 ARG A 148 28.433 -9.368 -10.783 1.00 22.33 H new ATOM 0 HD2 ARG A 148 27.123 -7.476 -11.769 1.00 25.05 H new ATOM 0 HD3 ARG A 148 26.578 -7.033 -10.163 1.00 25.05 H new ATOM 0 HE ARG A 148 28.662 -6.076 -9.710 1.00 62.52 H new ATOM 0 HH11 ARG A 148 28.804 -8.077 -12.616 1.00 4.21 H new ATOM 0 HH12 ARG A 148 30.418 -7.515 -13.064 1.00 4.21 H new ATOM 0 HH21 ARG A 148 30.735 -5.359 -10.293 1.00 53.33 H new ATOM 0 HH22 ARG A 148 31.507 -5.983 -11.755 1.00 53.33 H new ATOM 525 N CYS A 149 26.014 -12.580 -12.390 1.00 2.11 N ATOM 526 CA CYS A 149 25.350 -13.874 -12.488 1.00 42.05 C ATOM 527 C CYS A 149 25.715 -14.764 -11.304 1.00 33.03 C ATOM 528 O CYS A 149 26.837 -14.717 -10.800 1.00 20.00 O ATOM 529 CB CYS A 149 25.731 -14.568 -13.798 1.00 3.32 C ATOM 530 SG CYS A 149 24.669 -15.984 -14.225 1.00 75.24 S ATOM 0 H CYS A 149 27.005 -12.595 -12.633 1.00 2.11 H new ATOM 0 HA CYS A 149 24.273 -13.704 -12.474 1.00 42.05 H new ATOM 0 HB2 CYS A 149 25.690 -13.840 -14.608 1.00 3.32 H new ATOM 0 HB3 CYS A 149 26.764 -14.910 -13.729 1.00 3.32 H new ATOM 535 N VAL A 150 24.758 -15.575 -10.864 1.00 30.23 N ATOM 536 CA VAL A 150 24.978 -16.477 -9.739 1.00 73.35 C ATOM 537 C VAL A 150 24.122 -17.732 -9.867 1.00 32.53 C ATOM 538 O VAL A 150 23.043 -17.721 -10.460 1.00 42.01 O ATOM 539 CB VAL A 150 24.664 -15.789 -8.398 1.00 13.11 C ATOM 540 CG1 VAL A 150 25.506 -14.533 -8.232 1.00 32.11 C ATOM 541 CG2 VAL A 150 23.181 -15.463 -8.301 1.00 31.22 C ATOM 0 H VAL A 150 23.823 -15.626 -11.269 1.00 30.23 H new ATOM 0 HA VAL A 150 26.032 -16.755 -9.757 1.00 73.35 H new ATOM 0 HB VAL A 150 24.916 -16.476 -7.590 1.00 13.11 H new ATOM 0 HG11 VAL A 150 25.270 -14.060 -7.279 1.00 32.11 H new ATOM 0 HG12 VAL A 150 26.563 -14.798 -8.254 1.00 32.11 H new ATOM 0 HG13 VAL A 150 25.289 -13.839 -9.044 1.00 32.11 H new ATOM 0 HG21 VAL A 150 22.977 -14.977 -7.347 1.00 31.22 H new ATOM 0 HG22 VAL A 150 22.901 -14.795 -9.116 1.00 31.22 H new ATOM 0 HG23 VAL A 150 22.601 -16.383 -8.371 1.00 31.22 H new ATOM 551 N PRO A 151 24.612 -18.843 -9.296 1.00 71.11 N ATOM 552 CA PRO A 151 23.907 -20.128 -9.331 1.00 63.01 C ATOM 553 C PRO A 151 22.649 -20.123 -8.470 1.00 0.23 C ATOM 554 O PRO A 151 22.693 -20.464 -7.288 1.00 35.15 O ATOM 555 CB PRO A 151 24.936 -21.112 -8.769 1.00 22.21 C ATOM 556 CG PRO A 151 25.828 -20.280 -7.914 1.00 24.11 C ATOM 557 CD PRO A 151 25.891 -18.930 -8.572 1.00 44.33 C ATOM 0 HA PRO A 151 23.563 -20.377 -10.335 1.00 63.01 H new ATOM 0 HB2 PRO A 151 24.455 -21.900 -8.190 1.00 22.21 H new ATOM 0 HB3 PRO A 151 25.495 -21.599 -9.568 1.00 22.21 H new ATOM 0 HG2 PRO A 151 25.435 -20.202 -6.900 1.00 24.11 H new ATOM 0 HG3 PRO A 151 26.821 -20.724 -7.838 1.00 24.11 H new ATOM 0 HD2 PRO A 151 25.993 -18.130 -7.839 1.00 44.33 H new ATOM 0 HD3 PRO A 151 26.742 -18.852 -9.249 1.00 44.33 H new ATOM 565 N PHE A 152 21.529 -19.734 -9.069 1.00 73.14 N ATOM 566 CA PHE A 152 20.258 -19.684 -8.356 1.00 74.23 C ATOM 567 C PHE A 152 19.955 -21.023 -7.689 1.00 43.21 C ATOM 568 O PHE A 152 19.497 -21.070 -6.549 1.00 33.24 O ATOM 569 CB PHE A 152 19.125 -19.312 -9.315 1.00 72.44 C ATOM 570 CG PHE A 152 17.855 -18.915 -8.618 1.00 43.21 C ATOM 571 CD1 PHE A 152 17.102 -19.854 -7.933 1.00 71.53 C ATOM 572 CD2 PHE A 152 17.415 -17.601 -8.648 1.00 70.31 C ATOM 573 CE1 PHE A 152 15.933 -19.492 -7.290 1.00 43.12 C ATOM 574 CE2 PHE A 152 16.248 -17.233 -8.007 1.00 14.13 C ATOM 575 CZ PHE A 152 15.505 -18.179 -7.328 1.00 22.40 C ATOM 0 H PHE A 152 21.475 -19.449 -10.047 1.00 73.14 H new ATOM 0 HA PHE A 152 20.335 -18.921 -7.581 1.00 74.23 H new ATOM 0 HB2 PHE A 152 19.453 -18.490 -9.951 1.00 72.44 H new ATOM 0 HB3 PHE A 152 18.921 -20.159 -9.970 1.00 72.44 H new ATOM 0 HD1 PHE A 152 17.432 -20.882 -7.901 1.00 71.53 H new ATOM 0 HD2 PHE A 152 17.991 -16.857 -9.178 1.00 70.31 H new ATOM 0 HE1 PHE A 152 15.355 -20.234 -6.759 1.00 43.12 H new ATOM 0 HE2 PHE A 152 15.917 -16.206 -8.037 1.00 14.13 H new ATOM 0 HZ PHE A 152 14.592 -17.893 -6.828 1.00 22.40 H new ATOM 585 N ASN A 153 20.216 -22.109 -8.410 1.00 13.40 N ATOM 586 CA ASN A 153 19.971 -23.449 -7.889 1.00 53.31 C ATOM 587 C ASN A 153 21.179 -24.351 -8.120 1.00 21.14 C ATOM 588 O ASN A 153 22.250 -23.884 -8.507 1.00 15.03 O ATOM 589 CB ASN A 153 18.732 -24.057 -8.550 1.00 43.13 C ATOM 590 CG ASN A 153 17.911 -24.889 -7.584 1.00 60.15 C ATOM 591 OD1 ASN A 153 17.863 -26.115 -7.689 1.00 50.23 O ATOM 592 ND2 ASN A 153 17.260 -24.224 -6.637 1.00 74.52 N ATOM 0 H ASN A 153 20.597 -22.087 -9.356 1.00 13.40 H new ATOM 0 HA ASN A 153 19.799 -23.369 -6.816 1.00 53.31 H new ATOM 0 HB2 ASN A 153 18.111 -23.258 -8.956 1.00 43.13 H new ATOM 0 HB3 ASN A 153 19.040 -24.679 -9.390 1.00 43.13 H new ATOM 0 HD21 ASN A 153 16.691 -24.730 -5.958 1.00 74.52 H new ATOM 0 HD22 ASN A 153 17.329 -23.208 -6.588 1.00 74.52 H new ATOM 599 N GLU A 154 20.998 -25.646 -7.879 1.00 62.12 N ATOM 600 CA GLU A 154 22.074 -26.614 -8.061 1.00 0.54 C ATOM 601 C GLU A 154 21.968 -27.296 -9.421 1.00 61.32 C ATOM 602 O GLU A 154 22.789 -28.146 -9.767 1.00 34.44 O ATOM 603 CB GLU A 154 22.040 -27.663 -6.947 1.00 54.43 C ATOM 604 CG GLU A 154 22.305 -27.092 -5.564 1.00 42.45 C ATOM 605 CD GLU A 154 22.341 -28.160 -4.489 1.00 74.00 C ATOM 606 OE1 GLU A 154 23.431 -28.715 -4.239 1.00 13.12 O ATOM 607 OE2 GLU A 154 21.277 -28.441 -3.897 1.00 40.24 O ATOM 0 H GLU A 154 20.118 -26.049 -7.558 1.00 62.12 H new ATOM 0 HA GLU A 154 23.022 -26.078 -8.016 1.00 0.54 H new ATOM 0 HB2 GLU A 154 21.065 -28.151 -6.949 1.00 54.43 H new ATOM 0 HB3 GLU A 154 22.782 -28.432 -7.161 1.00 54.43 H new ATOM 0 HG2 GLU A 154 23.255 -26.557 -5.572 1.00 42.45 H new ATOM 0 HG3 GLU A 154 21.531 -26.364 -5.321 1.00 42.45 H new ATOM 614 N SER A 155 20.951 -26.918 -10.189 1.00 1.10 N ATOM 615 CA SER A 155 20.734 -27.496 -11.510 1.00 23.10 C ATOM 616 C SER A 155 20.858 -26.432 -12.596 1.00 3.41 C ATOM 617 O SER A 155 21.193 -26.733 -13.742 1.00 32.13 O ATOM 618 CB SER A 155 19.356 -28.155 -11.581 1.00 75.33 C ATOM 619 OG SER A 155 18.434 -27.505 -10.723 1.00 25.54 O ATOM 0 H SER A 155 20.264 -26.214 -9.919 1.00 1.10 H new ATOM 0 HA SER A 155 21.500 -28.253 -11.678 1.00 23.10 H new ATOM 0 HB2 SER A 155 18.987 -28.124 -12.606 1.00 75.33 H new ATOM 0 HB3 SER A 155 19.437 -29.206 -11.303 1.00 75.33 H new ATOM 0 HG SER A 155 17.561 -27.945 -10.788 1.00 25.54 H new ATOM 625 N VAL A 156 20.586 -25.184 -12.227 1.00 20.03 N ATOM 626 CA VAL A 156 20.668 -24.073 -13.168 1.00 33.25 C ATOM 627 C VAL A 156 21.096 -22.789 -12.466 1.00 61.20 C ATOM 628 O VAL A 156 21.082 -22.705 -11.238 1.00 11.12 O ATOM 629 CB VAL A 156 19.319 -23.835 -13.873 1.00 3.44 C ATOM 630 CG1 VAL A 156 19.075 -24.898 -14.932 1.00 31.50 C ATOM 631 CG2 VAL A 156 18.185 -23.810 -12.859 1.00 4.32 C ATOM 0 H VAL A 156 20.307 -24.917 -11.283 1.00 20.03 H new ATOM 0 HA VAL A 156 21.416 -24.343 -13.913 1.00 33.25 H new ATOM 0 HB VAL A 156 19.354 -22.865 -14.368 1.00 3.44 H new ATOM 0 HG11 VAL A 156 18.118 -24.713 -15.419 1.00 31.50 H new ATOM 0 HG12 VAL A 156 19.873 -24.862 -15.674 1.00 31.50 H new ATOM 0 HG13 VAL A 156 19.060 -25.882 -14.463 1.00 31.50 H new ATOM 0 HG21 VAL A 156 17.240 -23.641 -13.375 1.00 4.32 H new ATOM 0 HG22 VAL A 156 18.146 -24.764 -12.333 1.00 4.32 H new ATOM 0 HG23 VAL A 156 18.356 -23.007 -12.142 1.00 4.32 H new ATOM 641 N LYS A 157 21.477 -21.790 -13.254 1.00 52.33 N ATOM 642 CA LYS A 157 21.908 -20.507 -12.711 1.00 22.45 C ATOM 643 C LYS A 157 21.145 -19.357 -13.359 1.00 42.13 C ATOM 644 O LYS A 157 20.625 -19.490 -14.468 1.00 13.45 O ATOM 645 CB LYS A 157 23.412 -20.320 -12.923 1.00 21.01 C ATOM 646 CG LYS A 157 24.231 -21.557 -12.598 1.00 60.30 C ATOM 647 CD LYS A 157 25.709 -21.229 -12.465 1.00 53.14 C ATOM 648 CE LYS A 157 26.553 -22.490 -12.369 1.00 64.11 C ATOM 649 NZ LYS A 157 28.010 -22.181 -12.336 1.00 32.02 N ATOM 0 H LYS A 157 21.496 -21.844 -14.272 1.00 52.33 H new ATOM 0 HA LYS A 157 21.695 -20.503 -11.642 1.00 22.45 H new ATOM 0 HB2 LYS A 157 23.592 -20.038 -13.960 1.00 21.01 H new ATOM 0 HB3 LYS A 157 23.758 -19.493 -12.303 1.00 21.01 H new ATOM 0 HG2 LYS A 157 23.871 -21.999 -11.669 1.00 60.30 H new ATOM 0 HG3 LYS A 157 24.092 -22.302 -13.381 1.00 60.30 H new ATOM 0 HD2 LYS A 157 26.031 -20.639 -13.323 1.00 53.14 H new ATOM 0 HD3 LYS A 157 25.868 -20.615 -11.579 1.00 53.14 H new ATOM 0 HE2 LYS A 157 26.279 -23.043 -11.471 1.00 64.11 H new ATOM 0 HE3 LYS A 157 26.338 -23.137 -13.220 1.00 64.11 H new ATOM 0 HZ1 LYS A 157 28.551 -23.067 -12.270 1.00 32.02 H new ATOM 0 HZ2 LYS A 157 28.277 -21.675 -13.205 1.00 32.02 H new ATOM 0 HZ3 LYS A 157 28.220 -21.585 -11.510 1.00 32.02 H new ATOM 663 N THR A 158 21.083 -18.226 -12.663 1.00 23.24 N ATOM 664 CA THR A 158 20.385 -17.053 -13.171 1.00 14.41 C ATOM 665 C THR A 158 21.200 -15.785 -12.943 1.00 24.34 C ATOM 666 O THR A 158 22.268 -15.824 -12.331 1.00 3.24 O ATOM 667 CB THR A 158 19.005 -16.888 -12.506 1.00 20.32 C ATOM 668 OG1 THR A 158 19.165 -16.535 -11.127 1.00 73.13 O ATOM 669 CG2 THR A 158 18.195 -18.171 -12.615 1.00 62.43 C ATOM 0 H THR A 158 21.509 -18.098 -11.745 1.00 23.24 H new ATOM 0 HA THR A 158 20.249 -17.207 -14.242 1.00 14.41 H new ATOM 0 HB THR A 158 18.469 -16.093 -13.025 1.00 20.32 H new ATOM 0 HG1 THR A 158 18.337 -16.130 -10.795 1.00 73.13 H new ATOM 0 HG21 THR A 158 17.225 -18.030 -12.139 1.00 62.43 H new ATOM 0 HG22 THR A 158 18.050 -18.422 -13.666 1.00 62.43 H new ATOM 0 HG23 THR A 158 18.729 -18.982 -12.119 1.00 62.43 H new ATOM 677 N CYS A 159 20.691 -14.662 -13.437 1.00 60.24 N ATOM 678 CA CYS A 159 21.372 -13.382 -13.287 1.00 40.13 C ATOM 679 C CYS A 159 20.594 -12.458 -12.354 1.00 64.22 C ATOM 680 O CYS A 159 19.414 -12.681 -12.087 1.00 1.11 O ATOM 681 CB CYS A 159 21.552 -12.713 -14.652 1.00 34.04 C ATOM 682 SG CYS A 159 23.290 -12.494 -15.149 1.00 63.22 S ATOM 0 H CYS A 159 19.808 -14.612 -13.945 1.00 60.24 H new ATOM 0 HA CYS A 159 22.353 -13.569 -12.850 1.00 40.13 H new ATOM 0 HB2 CYS A 159 21.042 -13.310 -15.408 1.00 34.04 H new ATOM 0 HB3 CYS A 159 21.065 -11.738 -14.634 1.00 34.04 H new ATOM 687 N GLU A 160 21.265 -11.421 -11.863 1.00 24.24 N ATOM 688 CA GLU A 160 20.637 -10.465 -10.959 1.00 42.51 C ATOM 689 C GLU A 160 19.661 -9.565 -11.712 1.00 62.02 C ATOM 690 O GLU A 160 19.903 -9.192 -12.860 1.00 51.22 O ATOM 691 CB GLU A 160 21.700 -9.612 -10.263 1.00 65.14 C ATOM 692 CG GLU A 160 21.194 -8.903 -9.019 1.00 14.02 C ATOM 693 CD GLU A 160 22.250 -8.025 -8.377 1.00 10.04 C ATOM 694 OE1 GLU A 160 23.418 -8.460 -8.301 1.00 31.14 O ATOM 695 OE2 GLU A 160 21.908 -6.902 -7.950 1.00 40.13 O ATOM 0 H GLU A 160 22.242 -11.222 -12.076 1.00 24.24 H new ATOM 0 HA GLU A 160 20.082 -11.026 -10.207 1.00 42.51 H new ATOM 0 HB2 GLU A 160 22.543 -10.248 -9.991 1.00 65.14 H new ATOM 0 HB3 GLU A 160 22.075 -8.869 -10.967 1.00 65.14 H new ATOM 0 HG2 GLU A 160 20.329 -8.293 -9.280 1.00 14.02 H new ATOM 0 HG3 GLU A 160 20.855 -9.644 -8.296 1.00 14.02 H new ATOM 702 N VAL A 161 18.557 -9.221 -11.057 1.00 52.13 N ATOM 703 CA VAL A 161 17.544 -8.365 -11.663 1.00 71.14 C ATOM 704 C VAL A 161 16.824 -7.533 -10.608 1.00 4.00 C ATOM 705 O VAL A 161 16.705 -7.944 -9.454 1.00 44.31 O ATOM 706 CB VAL A 161 16.506 -9.192 -12.445 1.00 54.43 C ATOM 707 CG1 VAL A 161 17.113 -9.735 -13.730 1.00 11.32 C ATOM 708 CG2 VAL A 161 15.965 -10.322 -11.582 1.00 2.50 C ATOM 0 H VAL A 161 18.341 -9.522 -10.107 1.00 52.13 H new ATOM 0 HA VAL A 161 18.063 -7.700 -12.353 1.00 71.14 H new ATOM 0 HB VAL A 161 15.675 -8.540 -12.712 1.00 54.43 H new ATOM 0 HG11 VAL A 161 16.365 -10.316 -14.269 1.00 11.32 H new ATOM 0 HG12 VAL A 161 17.446 -8.906 -14.354 1.00 11.32 H new ATOM 0 HG13 VAL A 161 17.964 -10.373 -13.489 1.00 11.32 H new ATOM 0 HG21 VAL A 161 15.233 -10.896 -12.151 1.00 2.50 H new ATOM 0 HG22 VAL A 161 16.784 -10.975 -11.282 1.00 2.50 H new ATOM 0 HG23 VAL A 161 15.489 -9.906 -10.694 1.00 2.50 H new ATOM 718 N ALA A 162 16.346 -6.361 -11.012 1.00 15.12 N ATOM 719 CA ALA A 162 15.635 -5.471 -10.102 1.00 20.45 C ATOM 720 C ALA A 162 14.137 -5.475 -10.388 1.00 43.42 C ATOM 721 O ALA A 162 13.686 -4.917 -11.388 1.00 61.32 O ATOM 722 CB ALA A 162 16.191 -4.059 -10.203 1.00 53.42 C ATOM 0 H ALA A 162 16.438 -6.005 -11.964 1.00 15.12 H new ATOM 0 HA ALA A 162 15.784 -5.836 -9.086 1.00 20.45 H new ATOM 0 HB1 ALA A 162 15.651 -3.405 -9.518 1.00 53.42 H new ATOM 0 HB2 ALA A 162 17.249 -4.065 -9.940 1.00 53.42 H new ATOM 0 HB3 ALA A 162 16.072 -3.693 -11.223 1.00 53.42 H new ATOM 728 N ALA A 163 13.372 -6.107 -9.505 1.00 12.33 N ATOM 729 CA ALA A 163 11.925 -6.181 -9.663 1.00 33.23 C ATOM 730 C ALA A 163 11.231 -6.313 -8.311 1.00 51.51 C ATOM 731 O ALA A 163 11.870 -6.221 -7.263 1.00 65.43 O ATOM 732 CB ALA A 163 11.552 -7.348 -10.565 1.00 53.12 C ATOM 0 H ALA A 163 13.730 -6.575 -8.673 1.00 12.33 H new ATOM 0 HA ALA A 163 11.587 -5.254 -10.127 1.00 33.23 H new ATOM 0 HB1 ALA A 163 10.468 -7.391 -10.674 1.00 53.12 H new ATOM 0 HB2 ALA A 163 12.010 -7.212 -11.545 1.00 53.12 H new ATOM 0 HB3 ALA A 163 11.910 -8.278 -10.123 1.00 53.12 H new ATOM 738 N TRP A 164 9.921 -6.526 -8.343 1.00 35.14 N ATOM 739 CA TRP A 164 9.140 -6.669 -7.119 1.00 20.12 C ATOM 740 C TRP A 164 9.325 -8.056 -6.514 1.00 62.41 C ATOM 741 O TRP A 164 8.779 -9.040 -7.014 1.00 34.34 O ATOM 742 CB TRP A 164 7.658 -6.416 -7.402 1.00 24.20 C ATOM 743 CG TRP A 164 7.413 -5.197 -8.238 1.00 41.13 C ATOM 744 CD1 TRP A 164 7.359 -5.135 -9.602 1.00 24.35 C ATOM 745 CD2 TRP A 164 7.190 -3.864 -7.765 1.00 44.04 C ATOM 746 NE1 TRP A 164 7.117 -3.844 -10.005 1.00 33.34 N ATOM 747 CE2 TRP A 164 7.008 -3.045 -8.897 1.00 62.42 C ATOM 748 CE3 TRP A 164 7.125 -3.283 -6.496 1.00 41.33 C ATOM 749 CZ2 TRP A 164 6.767 -1.678 -8.795 1.00 52.04 C ATOM 750 CZ3 TRP A 164 6.886 -1.925 -6.397 1.00 32.30 C ATOM 751 CH2 TRP A 164 6.708 -1.135 -7.541 1.00 21.35 C ATOM 0 H TRP A 164 9.377 -6.604 -9.202 1.00 35.14 H new ATOM 0 HA TRP A 164 9.497 -5.930 -6.402 1.00 20.12 H new ATOM 0 HB2 TRP A 164 7.239 -7.285 -7.908 1.00 24.20 H new ATOM 0 HB3 TRP A 164 7.127 -6.311 -6.456 1.00 24.20 H new ATOM 0 HD1 TRP A 164 7.488 -5.977 -10.266 1.00 24.35 H new ATOM 0 HE1 TRP A 164 7.032 -3.531 -10.972 1.00 33.34 H new ATOM 0 HE3 TRP A 164 7.259 -3.884 -5.609 1.00 41.33 H new ATOM 0 HZ2 TRP A 164 6.631 -1.067 -9.675 1.00 52.04 H new ATOM 0 HZ3 TRP A 164 6.836 -1.465 -5.421 1.00 32.30 H new ATOM 0 HH2 TRP A 164 6.521 -0.077 -7.430 1.00 21.35 H new ATOM 762 N CYS A 165 10.099 -8.129 -5.436 1.00 53.20 N ATOM 763 CA CYS A 165 10.356 -9.396 -4.763 1.00 3.02 C ATOM 764 C CYS A 165 10.672 -9.173 -3.286 1.00 73.35 C ATOM 765 O CYS A 165 11.154 -8.115 -2.882 1.00 23.53 O ATOM 766 CB CYS A 165 11.516 -10.130 -5.438 1.00 45.24 C ATOM 767 SG CYS A 165 13.147 -9.374 -5.143 1.00 4.15 S ATOM 0 H CYS A 165 10.559 -7.325 -5.010 1.00 53.20 H new ATOM 0 HA CYS A 165 9.456 -10.007 -4.836 1.00 3.02 H new ATOM 0 HB2 CYS A 165 11.536 -11.160 -5.083 1.00 45.24 H new ATOM 0 HB3 CYS A 165 11.333 -10.166 -6.512 1.00 45.24 H new