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= -0.0416 K(o=-0.042,f=-1.3) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0.00738 USER MOD Single : A 122 LYS NZ :NH3+ -115:sc= -0.175 (180deg=-1.04) 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= -0.154 X(o=-0.15,f=0) USER MOD Single : A 128 SER OG : rot 180:sc= -0.625 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot -120:sc= -1.18 USER MOD Single : A 153 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.7!) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 THR OG1 : rot 167:sc= -0.953 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 9.801 -1.645 -6.087 1.00 1.02 N ATOM 50 CA GLN A 113 10.517 -2.767 -6.682 1.00 42.13 C ATOM 51 C GLN A 113 11.824 -3.033 -5.942 1.00 34.51 C ATOM 52 O GLN A 113 12.504 -2.103 -5.510 1.00 24.54 O ATOM 53 CB GLN A 113 10.802 -2.491 -8.160 1.00 33.32 C ATOM 54 CG GLN A 113 9.564 -2.116 -8.958 1.00 74.10 C ATOM 55 CD GLN A 113 8.566 -3.253 -9.056 1.00 72.22 C ATOM 56 OE1 GLN A 113 8.903 -4.355 -9.490 1.00 64.00 O ATOM 57 NE2 GLN A 113 7.328 -2.992 -8.653 1.00 1.54 N ATOM 0 HA GLN A 113 9.887 -3.652 -6.599 1.00 42.13 H new ATOM 0 HB2 GLN A 113 11.531 -1.685 -8.236 1.00 33.32 H new ATOM 0 HB3 GLN A 113 11.257 -3.376 -8.605 1.00 33.32 H new ATOM 0 HG2 GLN A 113 9.084 -1.255 -8.493 1.00 74.10 H new ATOM 0 HG3 GLN A 113 9.862 -1.811 -9.961 1.00 74.10 H new ATOM 0 HE21 GLN A 113 7.091 -2.065 -8.300 1.00 1.54 H new ATOM 0 HE22 GLN A 113 6.614 -3.719 -8.696 1.00 1.54 H new ATOM 66 N SER A 114 12.167 -4.309 -5.799 1.00 24.51 N ATOM 67 CA SER A 114 13.390 -4.699 -5.107 1.00 4.32 C ATOM 68 C SER A 114 14.362 -5.383 -6.064 1.00 32.13 C ATOM 69 O SER A 114 14.023 -5.668 -7.213 1.00 65.11 O ATOM 70 CB SER A 114 13.066 -5.631 -3.938 1.00 74.44 C ATOM 71 OG SER A 114 14.062 -5.557 -2.934 1.00 3.41 O ATOM 0 H SER A 114 11.615 -5.090 -6.153 1.00 24.51 H new ATOM 0 HA SER A 114 13.863 -3.796 -4.721 1.00 4.32 H new ATOM 0 HB2 SER A 114 12.098 -5.364 -3.514 1.00 74.44 H new ATOM 0 HB3 SER A 114 12.985 -6.656 -4.299 1.00 74.44 H new ATOM 0 HG SER A 114 13.830 -6.161 -2.198 1.00 3.41 H new ATOM 77 N THR A 115 15.573 -5.645 -5.581 1.00 53.42 N ATOM 78 CA THR A 115 16.595 -6.294 -6.392 1.00 72.01 C ATOM 79 C THR A 115 16.750 -7.761 -6.009 1.00 61.43 C ATOM 80 O THR A 115 16.682 -8.117 -4.832 1.00 71.34 O ATOM 81 CB THR A 115 17.958 -5.591 -6.248 1.00 15.45 C ATOM 82 OG1 THR A 115 18.142 -5.153 -4.897 1.00 11.42 O ATOM 83 CG2 THR A 115 18.055 -4.400 -7.190 1.00 33.23 C ATOM 0 H THR A 115 15.869 -5.417 -4.632 1.00 53.42 H new ATOM 0 HA THR A 115 16.267 -6.224 -7.429 1.00 72.01 H new ATOM 0 HB THR A 115 18.740 -6.305 -6.508 1.00 15.45 H new ATOM 0 HG1 THR A 115 19.011 -4.709 -4.813 1.00 11.42 H new ATOM 0 HG21 THR A 115 19.026 -3.920 -7.070 1.00 33.23 H new ATOM 0 HG22 THR A 115 17.943 -4.740 -8.219 1.00 33.23 H new ATOM 0 HG23 THR A 115 17.266 -3.686 -6.956 1.00 33.23 H new ATOM 91 N CYS A 116 16.960 -8.610 -7.010 1.00 72.01 N ATOM 92 CA CYS A 116 17.125 -10.040 -6.779 1.00 3.12 C ATOM 93 C CYS A 116 17.367 -10.779 -8.092 1.00 14.10 C ATOM 94 O CYS A 116 16.997 -10.315 -9.171 1.00 71.50 O ATOM 95 CB CYS A 116 15.890 -10.611 -6.079 1.00 5.10 C ATOM 96 SG CYS A 116 14.309 -10.075 -6.807 1.00 71.22 S ATOM 0 H CYS A 116 17.020 -8.332 -7.989 1.00 72.01 H new ATOM 0 HA CYS A 116 17.995 -10.181 -6.138 1.00 3.12 H new ATOM 0 HB2 CYS A 116 15.940 -11.699 -6.107 1.00 5.10 H new ATOM 0 HB3 CYS A 116 15.912 -10.318 -5.029 1.00 5.10 H new ATOM 101 N PRO A 117 18.002 -11.957 -8.000 1.00 14.21 N ATOM 102 CA PRO A 117 18.306 -12.786 -9.170 1.00 51.40 C ATOM 103 C PRO A 117 17.054 -13.398 -9.788 1.00 73.01 C ATOM 104 O PRO A 117 16.191 -13.916 -9.080 1.00 23.23 O ATOM 105 CB PRO A 117 19.213 -13.881 -8.603 1.00 13.21 C ATOM 106 CG PRO A 117 18.848 -13.966 -7.161 1.00 54.20 C ATOM 107 CD PRO A 117 18.471 -12.570 -6.746 1.00 60.32 C ATOM 0 HA PRO A 117 18.764 -12.207 -9.972 1.00 51.40 H new ATOM 0 HB2 PRO A 117 19.049 -14.832 -9.110 1.00 13.21 H new ATOM 0 HB3 PRO A 117 20.266 -13.629 -8.731 1.00 13.21 H new ATOM 0 HG2 PRO A 117 18.018 -14.656 -7.009 1.00 54.20 H new ATOM 0 HG3 PRO A 117 19.684 -14.337 -6.568 1.00 54.20 H new ATOM 0 HD2 PRO A 117 17.691 -12.574 -5.984 1.00 60.32 H new ATOM 0 HD3 PRO A 117 19.322 -12.031 -6.329 1.00 60.32 H new ATOM 115 N GLU A 118 16.961 -13.335 -11.113 1.00 5.22 N ATOM 116 CA GLU A 118 15.813 -13.884 -11.825 1.00 4.50 C ATOM 117 C GLU A 118 15.554 -15.328 -11.408 1.00 31.24 C ATOM 118 O GLU A 118 16.406 -15.970 -10.793 1.00 64.45 O ATOM 119 CB GLU A 118 16.040 -13.811 -13.336 1.00 44.34 C ATOM 120 CG GLU A 118 14.765 -13.948 -14.151 1.00 11.23 C ATOM 121 CD GLU A 118 13.684 -12.980 -13.710 1.00 2.14 C ATOM 122 OE1 GLU A 118 13.791 -11.781 -14.043 1.00 13.13 O ATOM 123 OE2 GLU A 118 12.733 -13.421 -13.032 1.00 11.45 O ATOM 0 H GLU A 118 17.666 -12.910 -11.714 1.00 5.22 H new ATOM 0 HA GLU A 118 14.938 -13.287 -11.567 1.00 4.50 H new ATOM 0 HB2 GLU A 118 16.515 -12.860 -13.578 1.00 44.34 H new ATOM 0 HB3 GLU A 118 16.735 -14.598 -13.629 1.00 44.34 H new ATOM 0 HG2 GLU A 118 14.991 -13.779 -15.204 1.00 11.23 H new ATOM 0 HG3 GLU A 118 14.391 -14.968 -14.065 1.00 11.23 H new ATOM 130 N ILE A 119 14.372 -15.832 -11.745 1.00 14.11 N ATOM 131 CA ILE A 119 14.000 -17.200 -11.406 1.00 12.11 C ATOM 132 C ILE A 119 14.548 -18.188 -12.430 1.00 31.33 C ATOM 133 O ILE A 119 14.426 -17.998 -13.640 1.00 74.40 O ATOM 134 CB ILE A 119 12.471 -17.363 -11.319 1.00 52.24 C ATOM 135 CG1 ILE A 119 11.886 -16.369 -10.313 1.00 63.32 C ATOM 136 CG2 ILE A 119 12.111 -18.790 -10.933 1.00 42.30 C ATOM 137 CD1 ILE A 119 12.413 -16.553 -8.907 1.00 51.01 C ATOM 0 H ILE A 119 13.655 -15.313 -12.253 1.00 14.11 H new ATOM 0 HA ILE A 119 14.436 -17.413 -10.430 1.00 12.11 H new ATOM 0 HB ILE A 119 12.042 -17.154 -12.299 1.00 52.24 H new ATOM 0 HG12 ILE A 119 12.107 -15.355 -10.646 1.00 63.32 H new ATOM 0 HG13 ILE A 119 10.801 -16.471 -10.302 1.00 63.32 H new ATOM 0 HG21 ILE A 119 11.027 -18.889 -10.876 1.00 42.30 H new ATOM 0 HG22 ILE A 119 12.499 -19.479 -11.683 1.00 42.30 H new ATOM 0 HG23 ILE A 119 12.549 -19.026 -9.963 1.00 42.30 H new ATOM 0 HD11 ILE A 119 11.956 -15.815 -8.248 1.00 51.01 H new ATOM 0 HD12 ILE A 119 12.168 -17.555 -8.555 1.00 51.01 H new ATOM 0 HD13 ILE A 119 13.495 -16.421 -8.904 1.00 51.01 H new ATOM 149 N PRO A 120 15.166 -19.271 -11.935 1.00 11.01 N ATOM 150 CA PRO A 120 15.743 -20.313 -12.790 1.00 3.34 C ATOM 151 C PRO A 120 14.676 -21.130 -13.509 1.00 13.10 C ATOM 152 O PRO A 120 13.971 -21.928 -12.891 1.00 75.25 O ATOM 153 CB PRO A 120 16.516 -21.192 -11.804 1.00 21.43 C ATOM 154 CG PRO A 120 15.834 -20.985 -10.496 1.00 32.13 C ATOM 155 CD PRO A 120 15.348 -19.562 -10.503 1.00 2.11 C ATOM 0 HA PRO A 120 16.361 -19.893 -13.584 1.00 3.34 H new ATOM 0 HB2 PRO A 120 16.489 -22.240 -12.103 1.00 21.43 H new ATOM 0 HB3 PRO A 120 17.565 -20.902 -11.754 1.00 21.43 H new ATOM 0 HG2 PRO A 120 15.003 -21.680 -10.375 1.00 32.13 H new ATOM 0 HG3 PRO A 120 16.519 -21.159 -9.667 1.00 32.13 H new ATOM 0 HD2 PRO A 120 14.416 -19.453 -9.949 1.00 2.11 H new ATOM 0 HD3 PRO A 120 16.072 -18.888 -10.045 1.00 2.11 H new ATOM 163 N ASP A 121 14.562 -20.926 -14.817 1.00 4.13 N ATOM 164 CA ASP A 121 13.581 -21.645 -15.621 1.00 23.43 C ATOM 165 C ASP A 121 14.209 -22.160 -16.912 1.00 44.02 C ATOM 166 O ASP A 121 15.167 -21.580 -17.424 1.00 51.41 O ATOM 167 CB ASP A 121 12.392 -20.740 -15.943 1.00 53.20 C ATOM 168 CG ASP A 121 11.483 -20.530 -14.748 1.00 3.24 C ATOM 169 OD1 ASP A 121 11.271 -21.497 -13.986 1.00 41.10 O ATOM 170 OD2 ASP A 121 10.985 -19.398 -14.573 1.00 23.31 O ATOM 0 H ASP A 121 15.137 -20.268 -15.343 1.00 4.13 H new ATOM 0 HA ASP A 121 13.230 -22.500 -15.043 1.00 23.43 H new ATOM 0 HB2 ASP A 121 12.758 -19.774 -16.291 1.00 53.20 H new ATOM 0 HB3 ASP A 121 11.818 -21.177 -16.760 1.00 53.20 H new ATOM 175 N LYS A 122 13.665 -23.254 -17.434 1.00 54.21 N ATOM 176 CA LYS A 122 14.170 -23.848 -18.666 1.00 2.11 C ATOM 177 C LYS A 122 14.060 -22.867 -19.829 1.00 14.35 C ATOM 178 O LYS A 122 14.720 -23.027 -20.856 1.00 21.25 O ATOM 179 CB LYS A 122 13.400 -25.130 -18.992 1.00 4.25 C ATOM 180 CG LYS A 122 13.959 -26.365 -18.307 1.00 31.22 C ATOM 181 CD LYS A 122 14.907 -27.127 -19.218 1.00 31.13 C ATOM 182 CE LYS A 122 16.249 -26.422 -19.341 1.00 53.42 C ATOM 183 NZ LYS A 122 16.270 -25.465 -20.483 1.00 35.44 N ATOM 0 H LYS A 122 12.873 -23.748 -17.022 1.00 54.21 H new ATOM 0 HA LYS A 122 15.222 -24.091 -18.517 1.00 2.11 H new ATOM 0 HB2 LYS A 122 12.358 -25.003 -18.699 1.00 4.25 H new ATOM 0 HB3 LYS A 122 13.411 -25.286 -20.071 1.00 4.25 H new ATOM 0 HG2 LYS A 122 14.484 -26.072 -17.398 1.00 31.22 H new ATOM 0 HG3 LYS A 122 13.139 -27.017 -18.006 1.00 31.22 H new ATOM 0 HD2 LYS A 122 15.058 -28.133 -18.828 1.00 31.13 H new ATOM 0 HD3 LYS A 122 14.458 -27.232 -20.206 1.00 31.13 H new ATOM 0 HE2 LYS A 122 16.465 -25.888 -18.416 1.00 53.42 H new ATOM 0 HE3 LYS A 122 17.038 -27.163 -19.473 1.00 53.42 H new ATOM 0 HZ1 LYS A 122 16.957 -25.788 -21.194 1.00 35.44 H new ATOM 0 HZ2 LYS A 122 15.324 -25.416 -20.912 1.00 35.44 H new ATOM 0 HZ3 LYS A 122 16.544 -24.522 -20.141 1.00 35.44 H new ATOM 197 N THR A 123 13.221 -21.849 -19.660 1.00 43.33 N ATOM 198 CA THR A 123 13.025 -20.841 -20.695 1.00 73.52 C ATOM 199 C THR A 123 13.860 -19.597 -20.417 1.00 62.11 C ATOM 200 O THR A 123 14.246 -18.878 -21.339 1.00 14.02 O ATOM 201 CB THR A 123 11.543 -20.436 -20.810 1.00 61.02 C ATOM 202 OG1 THR A 123 11.367 -19.530 -21.905 1.00 11.54 O ATOM 203 CG2 THR A 123 11.059 -19.786 -19.523 1.00 55.43 C ATOM 0 H THR A 123 12.667 -21.701 -18.817 1.00 43.33 H new ATOM 0 HA THR A 123 13.347 -21.287 -21.636 1.00 73.52 H new ATOM 0 HB THR A 123 10.955 -21.336 -20.986 1.00 61.02 H new ATOM 0 HG1 THR A 123 10.422 -19.278 -21.973 1.00 11.54 H new ATOM 0 HG21 THR A 123 10.010 -19.508 -19.628 1.00 55.43 H new ATOM 0 HG22 THR A 123 11.168 -20.489 -18.697 1.00 55.43 H new ATOM 0 HG23 THR A 123 11.652 -18.894 -19.321 1.00 55.43 H new ATOM 211 N SER A 124 14.137 -19.349 -19.141 1.00 64.10 N ATOM 212 CA SER A 124 14.925 -18.189 -18.742 1.00 3.05 C ATOM 213 C SER A 124 16.234 -18.620 -18.087 1.00 21.52 C ATOM 214 O SER A 124 16.238 -19.160 -16.980 1.00 24.20 O ATOM 215 CB SER A 124 14.125 -17.310 -17.778 1.00 45.01 C ATOM 216 OG SER A 124 14.986 -16.529 -16.967 1.00 14.12 O ATOM 0 H SER A 124 13.828 -19.936 -18.366 1.00 64.10 H new ATOM 0 HA SER A 124 15.159 -17.614 -19.638 1.00 3.05 H new ATOM 0 HB2 SER A 124 13.460 -16.656 -18.343 1.00 45.01 H new ATOM 0 HB3 SER A 124 13.495 -17.937 -17.147 1.00 45.01 H new ATOM 0 HG SER A 124 14.451 -15.975 -16.361 1.00 14.12 H new ATOM 222 N ILE A 125 17.342 -18.379 -18.779 1.00 3.43 N ATOM 223 CA ILE A 125 18.657 -18.741 -18.265 1.00 44.20 C ATOM 224 C ILE A 125 19.586 -17.532 -18.231 1.00 43.00 C ATOM 225 O ILE A 125 19.360 -16.542 -18.927 1.00 43.40 O ATOM 226 CB ILE A 125 19.307 -19.850 -19.113 1.00 43.13 C ATOM 227 CG1 ILE A 125 18.678 -19.891 -20.507 1.00 74.12 C ATOM 228 CG2 ILE A 125 19.165 -21.198 -18.422 1.00 2.42 C ATOM 229 CD1 ILE A 125 17.386 -20.676 -20.564 1.00 15.35 C ATOM 0 H ILE A 125 17.355 -17.935 -19.697 1.00 3.43 H new ATOM 0 HA ILE A 125 18.508 -19.111 -17.250 1.00 44.20 H new ATOM 0 HB ILE A 125 20.369 -19.629 -19.220 1.00 43.13 H new ATOM 0 HG12 ILE A 125 18.489 -18.871 -20.842 1.00 74.12 H new ATOM 0 HG13 ILE A 125 19.391 -20.329 -21.206 1.00 74.12 H new ATOM 0 HG21 ILE A 125 19.629 -21.971 -19.034 1.00 2.42 H new ATOM 0 HG22 ILE A 125 19.656 -21.162 -17.449 1.00 2.42 H new ATOM 0 HG23 ILE A 125 18.108 -21.428 -18.287 1.00 2.42 H new ATOM 0 HD11 ILE A 125 16.997 -20.663 -21.582 1.00 15.35 H new ATOM 0 HD12 ILE A 125 17.572 -21.706 -20.260 1.00 15.35 H new ATOM 0 HD13 ILE A 125 16.657 -20.226 -19.891 1.00 15.35 H new ATOM 241 N CYS A 126 20.634 -17.620 -17.418 1.00 73.31 N ATOM 242 CA CYS A 126 21.599 -16.535 -17.293 1.00 62.14 C ATOM 243 C CYS A 126 22.933 -16.918 -17.927 1.00 63.44 C ATOM 244 O CYS A 126 23.330 -18.083 -17.908 1.00 14.22 O ATOM 245 CB CYS A 126 21.806 -16.176 -15.821 1.00 5.42 C ATOM 246 SG CYS A 126 23.107 -14.932 -15.535 1.00 31.42 S ATOM 0 H CYS A 126 20.836 -18.433 -16.836 1.00 73.31 H new ATOM 0 HA CYS A 126 21.202 -15.667 -17.819 1.00 62.14 H new ATOM 0 HB2 CYS A 126 20.866 -15.804 -15.413 1.00 5.42 H new ATOM 0 HB3 CYS A 126 22.057 -17.082 -15.269 1.00 5.42 H new ATOM 251 N ASN A 127 23.621 -15.929 -18.489 1.00 21.40 N ATOM 252 CA ASN A 127 24.910 -16.163 -19.129 1.00 45.53 C ATOM 253 C ASN A 127 26.057 -15.781 -18.198 1.00 22.21 C ATOM 254 O ASN A 127 25.834 -15.325 -17.076 1.00 62.44 O ATOM 255 CB ASN A 127 25.009 -15.364 -20.431 1.00 32.32 C ATOM 256 CG ASN A 127 23.681 -15.278 -21.158 1.00 13.12 C ATOM 257 OD1 ASN A 127 23.371 -16.111 -22.009 1.00 62.24 O ATOM 258 ND2 ASN A 127 22.888 -14.266 -20.824 1.00 4.31 N ATOM 0 H ASN A 127 23.307 -14.959 -18.514 1.00 21.40 H new ATOM 0 HA ASN A 127 24.987 -17.226 -19.355 1.00 45.53 H new ATOM 0 HB2 ASN A 127 25.365 -14.358 -20.211 1.00 32.32 H new ATOM 0 HB3 ASN A 127 25.748 -15.828 -21.084 1.00 32.32 H new ATOM 0 HD21 ASN A 127 21.982 -14.157 -21.279 1.00 4.31 H new ATOM 0 HD22 ASN A 127 23.185 -13.598 -20.113 1.00 4.31 H new ATOM 265 N SER A 128 27.285 -15.971 -18.671 1.00 53.42 N ATOM 266 CA SER A 128 28.467 -15.650 -17.880 1.00 51.42 C ATOM 267 C SER A 128 28.504 -14.163 -17.538 1.00 23.44 C ATOM 268 O SER A 128 27.781 -13.361 -18.127 1.00 52.35 O ATOM 269 CB SER A 128 29.736 -16.042 -18.639 1.00 42.31 C ATOM 270 OG SER A 128 29.837 -15.336 -19.864 1.00 12.33 O ATOM 0 H SER A 128 27.487 -16.346 -19.598 1.00 53.42 H new ATOM 0 HA SER A 128 28.418 -16.218 -16.951 1.00 51.42 H new ATOM 0 HB2 SER A 128 30.611 -15.834 -18.023 1.00 42.31 H new ATOM 0 HB3 SER A 128 29.731 -17.115 -18.833 1.00 42.31 H new ATOM 0 HG SER A 128 30.657 -15.603 -20.329 1.00 12.33 H new ATOM 276 N ASP A 129 29.352 -13.805 -16.580 1.00 45.22 N ATOM 277 CA ASP A 129 29.486 -12.415 -16.158 1.00 63.33 C ATOM 278 C ASP A 129 29.724 -11.504 -17.358 1.00 3.40 C ATOM 279 O ASP A 129 29.251 -10.368 -17.391 1.00 23.05 O ATOM 280 CB ASP A 129 30.634 -12.272 -15.158 1.00 30.15 C ATOM 281 CG ASP A 129 31.979 -12.621 -15.765 1.00 14.12 C ATOM 282 OD1 ASP A 129 32.202 -13.812 -16.069 1.00 11.34 O ATOM 283 OD2 ASP A 129 32.807 -11.703 -15.937 1.00 42.02 O ATOM 0 H ASP A 129 29.957 -14.458 -16.081 1.00 45.22 H new ATOM 0 HA ASP A 129 28.555 -12.116 -15.676 1.00 63.33 H new ATOM 0 HB2 ASP A 129 30.662 -11.248 -14.785 1.00 30.15 H new ATOM 0 HB3 ASP A 129 30.447 -12.918 -14.300 1.00 30.15 H new ATOM 288 N ALA A 130 30.461 -12.009 -18.342 1.00 5.14 N ATOM 289 CA ALA A 130 30.762 -11.241 -19.543 1.00 55.35 C ATOM 290 C ALA A 130 29.658 -11.397 -20.585 1.00 24.14 C ATOM 291 O ALA A 130 29.514 -10.564 -21.480 1.00 30.23 O ATOM 292 CB ALA A 130 32.101 -11.669 -20.123 1.00 25.21 C ATOM 0 H ALA A 130 30.861 -12.947 -18.330 1.00 5.14 H new ATOM 0 HA ALA A 130 30.819 -10.188 -19.266 1.00 55.35 H new ATOM 0 HB1 ALA A 130 32.312 -11.086 -21.020 1.00 25.21 H new ATOM 0 HB2 ALA A 130 32.887 -11.500 -19.387 1.00 25.21 H new ATOM 0 HB3 ALA A 130 32.065 -12.728 -20.379 1.00 25.21 H new ATOM 298 N ASP A 131 28.883 -12.469 -20.462 1.00 44.00 N ATOM 299 CA ASP A 131 27.793 -12.734 -21.393 1.00 34.32 C ATOM 300 C ASP A 131 26.469 -12.214 -20.841 1.00 51.12 C ATOM 301 O ASP A 131 25.412 -12.420 -21.438 1.00 14.40 O ATOM 302 CB ASP A 131 27.688 -14.234 -21.675 1.00 14.13 C ATOM 303 CG ASP A 131 28.786 -14.728 -22.596 1.00 34.11 C ATOM 304 OD1 ASP A 131 29.929 -14.240 -22.472 1.00 32.51 O ATOM 305 OD2 ASP A 131 28.502 -15.603 -23.440 1.00 71.03 O ATOM 0 H ASP A 131 28.990 -13.168 -19.727 1.00 44.00 H new ATOM 0 HA ASP A 131 28.008 -12.211 -22.325 1.00 34.32 H new ATOM 0 HB2 ASP A 131 27.733 -14.782 -20.734 1.00 14.13 H new ATOM 0 HB3 ASP A 131 26.718 -14.450 -22.123 1.00 14.13 H new ATOM 310 N CYS A 132 26.534 -11.540 -19.698 1.00 3.11 N ATOM 311 CA CYS A 132 25.342 -10.991 -19.064 1.00 32.11 C ATOM 312 C CYS A 132 25.433 -9.472 -18.957 1.00 0.41 C ATOM 313 O CYS A 132 26.417 -8.931 -18.451 1.00 1.01 O ATOM 314 CB CYS A 132 25.151 -11.601 -17.674 1.00 4.34 C ATOM 315 SG CYS A 132 23.416 -11.675 -17.125 1.00 53.35 S ATOM 0 H CYS A 132 27.401 -11.361 -19.191 1.00 3.11 H new ATOM 0 HA CYS A 132 24.482 -11.243 -19.685 1.00 32.11 H new ATOM 0 HB2 CYS A 132 25.565 -12.609 -17.672 1.00 4.34 H new ATOM 0 HB3 CYS A 132 25.725 -11.020 -16.952 1.00 4.34 H new ATOM 320 N THR A 133 24.399 -8.787 -19.437 1.00 4.22 N ATOM 321 CA THR A 133 24.362 -7.330 -19.396 1.00 64.55 C ATOM 322 C THR A 133 23.127 -6.832 -18.655 1.00 22.21 C ATOM 323 O THR A 133 22.067 -7.457 -18.676 1.00 74.11 O ATOM 324 CB THR A 133 24.373 -6.729 -20.814 1.00 44.34 C ATOM 325 OG1 THR A 133 23.153 -7.048 -21.492 1.00 32.04 O ATOM 326 CG2 THR A 133 25.556 -7.253 -21.615 1.00 52.34 C ATOM 0 H THR A 133 23.576 -9.218 -19.859 1.00 4.22 H new ATOM 0 HA THR A 133 25.256 -7.005 -18.864 1.00 64.55 H new ATOM 0 HB THR A 133 24.466 -5.647 -20.724 1.00 44.34 H new ATOM 0 HG1 THR A 133 23.168 -6.661 -22.392 1.00 32.04 H new ATOM 0 HG21 THR A 133 25.543 -6.815 -22.613 1.00 52.34 H new ATOM 0 HG22 THR A 133 26.484 -6.982 -21.112 1.00 52.34 H new ATOM 0 HG23 THR A 133 25.490 -8.338 -21.695 1.00 52.34 H new ATOM 334 N PRO A 134 23.264 -5.680 -17.983 1.00 3.50 N ATOM 335 CA PRO A 134 22.168 -5.071 -17.223 1.00 25.22 C ATOM 336 C PRO A 134 21.068 -4.527 -18.127 1.00 50.31 C ATOM 337 O PRO A 134 21.064 -4.771 -19.333 1.00 23.12 O ATOM 338 CB PRO A 134 22.852 -3.930 -16.466 1.00 44.32 C ATOM 339 CG PRO A 134 24.045 -3.590 -17.291 1.00 45.11 C ATOM 340 CD PRO A 134 24.500 -4.881 -17.914 1.00 54.11 C ATOM 0 HA PRO A 134 21.671 -5.793 -16.575 1.00 25.22 H new ATOM 0 HB2 PRO A 134 22.188 -3.072 -16.358 1.00 44.32 H new ATOM 0 HB3 PRO A 134 23.140 -4.238 -15.461 1.00 44.32 H new ATOM 0 HG2 PRO A 134 23.794 -2.855 -18.056 1.00 45.11 H new ATOM 0 HG3 PRO A 134 24.833 -3.154 -16.677 1.00 45.11 H new ATOM 0 HD2 PRO A 134 24.931 -4.721 -18.902 1.00 54.11 H new ATOM 0 HD3 PRO A 134 25.263 -5.372 -17.310 1.00 54.11 H new ATOM 348 N GLY A 135 20.135 -3.786 -17.536 1.00 73.52 N ATOM 349 CA GLY A 135 19.042 -3.219 -18.304 1.00 50.21 C ATOM 350 C GLY A 135 17.831 -4.129 -18.350 1.00 21.41 C ATOM 351 O GLY A 135 16.911 -3.991 -17.544 1.00 53.44 O ATOM 0 H GLY A 135 20.117 -3.569 -16.540 1.00 73.52 H new ATOM 0 HA2 GLY A 135 18.756 -2.261 -17.870 1.00 50.21 H new ATOM 0 HA3 GLY A 135 19.382 -3.020 -19.320 1.00 50.21 H new ATOM 447 N GLY A 143 12.043 -6.304 -15.485 1.00 32.32 N ATOM 448 CA GLY A 143 12.791 -5.659 -14.422 1.00 35.15 C ATOM 449 C GLY A 143 14.047 -4.978 -14.927 1.00 30.22 C ATOM 450 O GLY A 143 14.215 -4.784 -16.131 1.00 1.42 O ATOM 0 HA2 GLY A 143 12.155 -4.923 -13.930 1.00 35.15 H new ATOM 0 HA3 GLY A 143 13.061 -6.401 -13.670 1.00 35.15 H new ATOM 454 N VAL A 144 14.932 -4.613 -14.005 1.00 21.12 N ATOM 455 CA VAL A 144 16.180 -3.949 -14.363 1.00 73.11 C ATOM 456 C VAL A 144 17.377 -4.862 -14.122 1.00 52.15 C ATOM 457 O VAL A 144 17.808 -5.051 -12.985 1.00 54.33 O ATOM 458 CB VAL A 144 16.372 -2.647 -13.564 1.00 2.33 C ATOM 459 CG1 VAL A 144 17.551 -1.855 -14.109 1.00 0.24 C ATOM 460 CG2 VAL A 144 15.100 -1.812 -13.591 1.00 65.42 C ATOM 0 H VAL A 144 14.808 -4.766 -13.004 1.00 21.12 H new ATOM 0 HA VAL A 144 16.118 -3.709 -15.424 1.00 73.11 H new ATOM 0 HB VAL A 144 16.587 -2.906 -12.527 1.00 2.33 H new ATOM 0 HG11 VAL A 144 17.671 -0.938 -13.532 1.00 0.24 H new ATOM 0 HG12 VAL A 144 18.458 -2.454 -14.032 1.00 0.24 H new ATOM 0 HG13 VAL A 144 17.369 -1.605 -15.154 1.00 0.24 H new ATOM 0 HG21 VAL A 144 15.254 -0.896 -13.021 1.00 65.42 H new ATOM 0 HG22 VAL A 144 14.852 -1.561 -14.622 1.00 65.42 H new ATOM 0 HG23 VAL A 144 14.282 -2.381 -13.149 1.00 65.42 H new ATOM 470 N ALA A 145 17.910 -5.426 -15.201 1.00 43.12 N ATOM 471 CA ALA A 145 19.060 -6.317 -15.108 1.00 32.21 C ATOM 472 C ALA A 145 20.267 -5.596 -14.518 1.00 62.22 C ATOM 473 O ALA A 145 20.491 -4.415 -14.787 1.00 31.34 O ATOM 474 CB ALA A 145 19.399 -6.886 -16.478 1.00 3.23 C ATOM 0 H ALA A 145 17.564 -5.282 -16.150 1.00 43.12 H new ATOM 0 HA ALA A 145 18.799 -7.138 -14.441 1.00 32.21 H new ATOM 0 HB1 ALA A 145 20.260 -7.550 -16.394 1.00 3.23 H new ATOM 0 HB2 ALA A 145 18.546 -7.446 -16.861 1.00 3.23 H new ATOM 0 HB3 ALA A 145 19.635 -6.071 -17.162 1.00 3.23 H new ATOM 480 N THR A 146 21.044 -6.314 -13.712 1.00 53.41 N ATOM 481 CA THR A 146 22.227 -5.742 -13.083 1.00 3.22 C ATOM 482 C THR A 146 23.497 -6.162 -13.815 1.00 33.44 C ATOM 483 O THR A 146 24.434 -5.377 -13.954 1.00 75.41 O ATOM 484 CB THR A 146 22.337 -6.163 -11.605 1.00 52.21 C ATOM 485 OG1 THR A 146 21.067 -6.624 -11.132 1.00 35.03 O ATOM 486 CG2 THR A 146 22.813 -5.002 -10.745 1.00 51.55 C ATOM 0 H THR A 146 20.874 -7.293 -13.480 1.00 53.41 H new ATOM 0 HA THR A 146 22.121 -4.659 -13.138 1.00 3.22 H new ATOM 0 HB THR A 146 23.066 -6.970 -11.533 1.00 52.21 H new ATOM 0 HG1 THR A 146 20.776 -6.066 -10.381 1.00 35.03 H new ATOM 0 HG21 THR A 146 22.883 -5.324 -9.706 1.00 51.55 H new ATOM 0 HG22 THR A 146 23.793 -4.672 -11.089 1.00 51.55 H new ATOM 0 HG23 THR A 146 22.105 -4.177 -10.823 1.00 51.55 H new ATOM 494 N GLY A 147 23.520 -7.407 -14.281 1.00 64.34 N ATOM 495 CA GLY A 147 24.680 -7.910 -14.994 1.00 62.22 C ATOM 496 C GLY A 147 25.384 -9.024 -14.244 1.00 52.31 C ATOM 497 O GLY A 147 25.996 -9.901 -14.853 1.00 73.41 O ATOM 0 H GLY A 147 22.757 -8.076 -14.178 1.00 64.34 H new ATOM 0 HA2 GLY A 147 24.371 -8.275 -15.973 1.00 62.22 H new ATOM 0 HA3 GLY A 147 25.380 -7.092 -15.165 1.00 62.22 H new ATOM 501 N ARG A 148 25.299 -8.988 -12.918 1.00 54.23 N ATOM 502 CA ARG A 148 25.935 -10.000 -12.084 1.00 71.11 C ATOM 503 C ARG A 148 25.152 -11.309 -12.125 1.00 73.00 C ATOM 504 O ARG A 148 23.963 -11.344 -11.807 1.00 14.23 O ATOM 505 CB ARG A 148 26.047 -9.505 -10.641 1.00 21.41 C ATOM 506 CG ARG A 148 27.325 -8.732 -10.360 1.00 11.21 C ATOM 507 CD ARG A 148 27.196 -7.274 -10.774 1.00 63.34 C ATOM 508 NE ARG A 148 27.603 -7.062 -12.161 1.00 10.32 N ATOM 509 CZ ARG A 148 27.819 -5.861 -12.687 1.00 64.54 C ATOM 510 NH1 ARG A 148 27.669 -4.772 -11.947 1.00 22.13 N ATOM 511 NH2 ARG A 148 28.187 -5.749 -13.957 1.00 63.33 N ATOM 0 H ARG A 148 24.796 -8.269 -12.399 1.00 54.23 H new ATOM 0 HA ARG A 148 26.935 -10.183 -12.477 1.00 71.11 H new ATOM 0 HB2 ARG A 148 25.191 -8.869 -10.417 1.00 21.41 H new ATOM 0 HB3 ARG A 148 25.994 -10.360 -9.967 1.00 21.41 H new ATOM 0 HG2 ARG A 148 27.561 -8.790 -9.297 1.00 11.21 H new ATOM 0 HG3 ARG A 148 28.155 -9.192 -10.896 1.00 11.21 H new ATOM 0 HD2 ARG A 148 26.163 -6.950 -10.646 1.00 63.34 H new ATOM 0 HD3 ARG A 148 27.808 -6.655 -10.118 1.00 63.34 H new ATOM 0 HE ARG A 148 27.728 -7.880 -12.758 1.00 10.32 H new ATOM 0 HH11 ARG A 148 27.387 -4.854 -10.970 1.00 22.13 H new ATOM 0 HH12 ARG A 148 27.836 -3.852 -12.354 1.00 22.13 H new ATOM 0 HH21 ARG A 148 28.304 -6.585 -14.530 1.00 63.33 H new ATOM 0 HH22 ARG A 148 28.353 -4.827 -14.361 1.00 63.33 H new ATOM 525 N CYS A 149 25.826 -12.384 -12.519 1.00 40.14 N ATOM 526 CA CYS A 149 25.194 -13.695 -12.603 1.00 65.24 C ATOM 527 C CYS A 149 25.607 -14.574 -11.426 1.00 62.12 C ATOM 528 O CYS A 149 26.738 -14.497 -10.946 1.00 1.31 O ATOM 529 CB CYS A 149 25.566 -14.380 -13.920 1.00 60.02 C ATOM 530 SG CYS A 149 24.522 -15.815 -14.332 1.00 41.15 S ATOM 0 H CYS A 149 26.811 -12.373 -12.785 1.00 40.14 H new ATOM 0 HA CYS A 149 24.114 -13.553 -12.567 1.00 65.24 H new ATOM 0 HB2 CYS A 149 25.499 -13.651 -14.728 1.00 60.02 H new ATOM 0 HB3 CYS A 149 26.606 -14.703 -13.868 1.00 60.02 H new ATOM 535 N VAL A 150 24.682 -15.410 -10.966 1.00 71.31 N ATOM 536 CA VAL A 150 24.949 -16.305 -9.846 1.00 71.14 C ATOM 537 C VAL A 150 24.133 -17.588 -9.962 1.00 25.04 C ATOM 538 O VAL A 150 23.036 -17.607 -10.519 1.00 70.52 O ATOM 539 CB VAL A 150 24.633 -15.628 -8.499 1.00 62.33 C ATOM 540 CG1 VAL A 150 25.519 -14.409 -8.293 1.00 62.24 C ATOM 541 CG2 VAL A 150 23.162 -15.247 -8.427 1.00 43.00 C ATOM 0 H VAL A 150 23.741 -15.486 -11.352 1.00 71.31 H new ATOM 0 HA VAL A 150 26.011 -16.549 -9.881 1.00 71.14 H new ATOM 0 HB VAL A 150 24.841 -16.337 -7.698 1.00 62.33 H new ATOM 0 HG11 VAL A 150 25.281 -13.944 -7.336 1.00 62.24 H new ATOM 0 HG12 VAL A 150 26.565 -14.715 -8.298 1.00 62.24 H new ATOM 0 HG13 VAL A 150 25.346 -13.694 -9.097 1.00 62.24 H new ATOM 0 HG21 VAL A 150 22.956 -14.770 -7.469 1.00 43.00 H new ATOM 0 HG22 VAL A 150 22.925 -14.555 -9.235 1.00 43.00 H new ATOM 0 HG23 VAL A 150 22.549 -16.143 -8.525 1.00 43.00 H new ATOM 551 N PRO A 151 24.680 -18.687 -9.422 1.00 24.34 N ATOM 552 CA PRO A 151 24.020 -19.996 -9.450 1.00 41.30 C ATOM 553 C PRO A 151 22.792 -20.045 -8.548 1.00 13.21 C ATOM 554 O PRO A 151 22.860 -20.520 -7.414 1.00 61.44 O ATOM 555 CB PRO A 151 25.101 -20.950 -8.934 1.00 54.44 C ATOM 556 CG PRO A 151 25.991 -20.097 -8.099 1.00 3.24 C ATOM 557 CD PRO A 151 25.985 -18.737 -8.741 1.00 64.43 C ATOM 0 HA PRO A 151 23.652 -20.246 -10.445 1.00 41.30 H new ATOM 0 HB2 PRO A 151 24.667 -21.761 -8.349 1.00 54.44 H new ATOM 0 HB3 PRO A 151 25.650 -21.409 -9.757 1.00 54.44 H new ATOM 0 HG2 PRO A 151 25.630 -20.045 -7.072 1.00 3.24 H new ATOM 0 HG3 PRO A 151 27.001 -20.506 -8.062 1.00 3.24 H new ATOM 0 HD2 PRO A 151 26.083 -17.943 -8.001 1.00 64.43 H new ATOM 0 HD3 PRO A 151 26.810 -18.621 -9.444 1.00 64.43 H new ATOM 565 N PHE A 152 21.668 -19.551 -9.058 1.00 45.32 N ATOM 566 CA PHE A 152 20.424 -19.538 -8.298 1.00 2.11 C ATOM 567 C PHE A 152 20.114 -20.924 -7.739 1.00 50.41 C ATOM 568 O PHE A 152 19.967 -21.098 -6.530 1.00 64.33 O ATOM 569 CB PHE A 152 19.268 -19.061 -9.179 1.00 41.52 C ATOM 570 CG PHE A 152 18.042 -18.675 -8.402 1.00 51.54 C ATOM 571 CD1 PHE A 152 17.310 -19.631 -7.718 1.00 32.03 C ATOM 572 CD2 PHE A 152 17.621 -17.355 -8.357 1.00 61.13 C ATOM 573 CE1 PHE A 152 16.181 -19.279 -7.002 1.00 21.25 C ATOM 574 CE2 PHE A 152 16.494 -16.997 -7.643 1.00 34.35 C ATOM 575 CZ PHE A 152 15.772 -17.961 -6.965 1.00 1.41 C ATOM 0 H PHE A 152 21.594 -19.154 -9.995 1.00 45.32 H new ATOM 0 HA PHE A 152 20.544 -18.847 -7.464 1.00 2.11 H new ATOM 0 HB2 PHE A 152 19.599 -18.206 -9.768 1.00 41.52 H new ATOM 0 HB3 PHE A 152 19.008 -19.851 -9.883 1.00 41.52 H new ATOM 0 HD1 PHE A 152 17.625 -20.664 -7.744 1.00 32.03 H new ATOM 0 HD2 PHE A 152 18.181 -16.598 -8.886 1.00 61.13 H new ATOM 0 HE1 PHE A 152 15.620 -20.034 -6.472 1.00 21.25 H new ATOM 0 HE2 PHE A 152 16.177 -15.965 -7.615 1.00 34.35 H new ATOM 0 HZ PHE A 152 14.890 -17.684 -6.407 1.00 1.41 H new ATOM 585 N ASN A 153 20.015 -21.905 -8.629 1.00 71.44 N ATOM 586 CA ASN A 153 19.721 -23.276 -8.226 1.00 51.23 C ATOM 587 C ASN A 153 20.969 -24.149 -8.316 1.00 10.24 C ATOM 588 O ASN A 153 22.076 -23.647 -8.505 1.00 24.03 O ATOM 589 CB ASN A 153 18.612 -23.861 -9.103 1.00 50.33 C ATOM 590 CG ASN A 153 17.651 -24.731 -8.317 1.00 24.53 C ATOM 591 OD1 ASN A 153 17.391 -24.481 -7.140 1.00 22.54 O ATOM 592 ND2 ASN A 153 17.119 -25.761 -8.966 1.00 3.25 N ATOM 0 H ASN A 153 20.134 -21.777 -9.634 1.00 71.44 H new ATOM 0 HA ASN A 153 19.385 -23.259 -7.189 1.00 51.23 H new ATOM 0 HB2 ASN A 153 18.059 -23.049 -9.575 1.00 50.33 H new ATOM 0 HB3 ASN A 153 19.059 -24.450 -9.904 1.00 50.33 H new ATOM 0 HD21 ASN A 153 16.466 -26.383 -8.489 1.00 3.25 H new ATOM 0 HD22 ASN A 153 17.363 -25.930 -9.942 1.00 3.25 H new ATOM 599 N GLU A 154 20.780 -25.458 -8.179 1.00 2.44 N ATOM 600 CA GLU A 154 21.891 -26.400 -8.244 1.00 2.23 C ATOM 601 C GLU A 154 22.383 -26.563 -9.679 1.00 74.22 C ATOM 602 O GLU A 154 23.524 -26.230 -9.998 1.00 12.33 O ATOM 603 CB GLU A 154 21.470 -27.758 -7.679 1.00 65.43 C ATOM 604 CG GLU A 154 21.260 -27.754 -6.174 1.00 42.55 C ATOM 605 CD GLU A 154 20.956 -29.133 -5.623 1.00 64.25 C ATOM 606 OE1 GLU A 154 20.091 -29.825 -6.199 1.00 30.20 O ATOM 607 OE2 GLU A 154 21.585 -29.521 -4.616 1.00 40.42 O ATOM 0 H GLU A 154 19.869 -25.889 -8.023 1.00 2.44 H new ATOM 0 HA GLU A 154 22.708 -26.002 -7.642 1.00 2.23 H new ATOM 0 HB2 GLU A 154 20.547 -28.074 -8.165 1.00 65.43 H new ATOM 0 HB3 GLU A 154 22.231 -28.497 -7.929 1.00 65.43 H new ATOM 0 HG2 GLU A 154 22.153 -27.361 -5.688 1.00 42.55 H new ATOM 0 HG3 GLU A 154 20.440 -27.080 -5.927 1.00 42.55 H new ATOM 614 N SER A 155 21.512 -27.080 -10.541 1.00 44.51 N ATOM 615 CA SER A 155 21.858 -27.292 -11.942 1.00 1.12 C ATOM 616 C SER A 155 21.337 -26.150 -12.809 1.00 42.11 C ATOM 617 O SER A 155 21.166 -26.302 -14.019 1.00 13.13 O ATOM 618 CB SER A 155 21.286 -28.623 -12.434 1.00 5.10 C ATOM 619 OG SER A 155 21.962 -29.718 -11.842 1.00 24.54 O ATOM 0 H SER A 155 20.563 -27.359 -10.294 1.00 44.51 H new ATOM 0 HA SER A 155 22.945 -27.319 -12.023 1.00 1.12 H new ATOM 0 HB2 SER A 155 20.224 -28.676 -12.196 1.00 5.10 H new ATOM 0 HB3 SER A 155 21.373 -28.681 -13.519 1.00 5.10 H new ATOM 0 HG SER A 155 21.577 -30.557 -12.171 1.00 24.54 H new ATOM 625 N VAL A 156 21.087 -25.005 -12.181 1.00 71.24 N ATOM 626 CA VAL A 156 20.586 -23.836 -12.894 1.00 45.14 C ATOM 627 C VAL A 156 21.147 -22.549 -12.300 1.00 53.42 C ATOM 628 O VAL A 156 21.451 -22.482 -11.109 1.00 62.11 O ATOM 629 CB VAL A 156 19.048 -23.776 -12.863 1.00 53.42 C ATOM 630 CG1 VAL A 156 18.537 -22.681 -13.787 1.00 43.43 C ATOM 631 CG2 VAL A 156 18.454 -25.124 -13.242 1.00 63.13 C ATOM 0 H VAL A 156 21.223 -24.862 -11.180 1.00 71.24 H new ATOM 0 HA VAL A 156 20.917 -23.930 -13.928 1.00 45.14 H new ATOM 0 HB VAL A 156 18.732 -23.538 -11.847 1.00 53.42 H new ATOM 0 HG11 VAL A 156 17.448 -22.654 -13.752 1.00 43.43 H new ATOM 0 HG12 VAL A 156 18.935 -21.718 -13.465 1.00 43.43 H new ATOM 0 HG13 VAL A 156 18.862 -22.885 -14.807 1.00 43.43 H new ATOM 0 HG21 VAL A 156 17.366 -25.063 -13.215 1.00 63.13 H new ATOM 0 HG22 VAL A 156 18.777 -25.394 -14.247 1.00 63.13 H new ATOM 0 HG23 VAL A 156 18.793 -25.882 -12.536 1.00 63.13 H new ATOM 641 N LYS A 157 21.280 -21.526 -13.138 1.00 3.00 N ATOM 642 CA LYS A 157 21.802 -20.238 -12.697 1.00 3.01 C ATOM 643 C LYS A 157 21.011 -19.090 -13.314 1.00 53.35 C ATOM 644 O LYS A 157 20.481 -19.210 -14.419 1.00 74.45 O ATOM 645 CB LYS A 157 23.281 -20.110 -13.068 1.00 44.33 C ATOM 646 CG LYS A 157 24.090 -21.364 -12.788 1.00 20.44 C ATOM 647 CD LYS A 157 25.575 -21.059 -12.680 1.00 55.42 C ATOM 648 CE LYS A 157 26.395 -22.329 -12.515 1.00 53.11 C ATOM 649 NZ LYS A 157 27.686 -22.069 -11.820 1.00 41.05 N ATOM 0 H LYS A 157 21.033 -21.564 -14.127 1.00 3.00 H new ATOM 0 HA LYS A 157 21.700 -20.185 -11.613 1.00 3.01 H new ATOM 0 HB2 LYS A 157 23.361 -19.865 -14.127 1.00 44.33 H new ATOM 0 HB3 LYS A 157 23.715 -19.277 -12.515 1.00 44.33 H new ATOM 0 HG2 LYS A 157 23.744 -21.822 -11.861 1.00 20.44 H new ATOM 0 HG3 LYS A 157 23.924 -22.090 -13.584 1.00 20.44 H new ATOM 0 HD2 LYS A 157 25.904 -20.526 -13.572 1.00 55.42 H new ATOM 0 HD3 LYS A 157 25.751 -20.398 -11.831 1.00 55.42 H new ATOM 0 HE2 LYS A 157 25.819 -23.062 -11.950 1.00 53.11 H new ATOM 0 HE3 LYS A 157 26.591 -22.765 -13.495 1.00 53.11 H new ATOM 0 HZ1 LYS A 157 28.216 -22.959 -11.727 1.00 41.05 H new ATOM 0 HZ2 LYS A 157 28.247 -21.389 -12.372 1.00 41.05 H new ATOM 0 HZ3 LYS A 157 27.499 -21.677 -10.875 1.00 41.05 H new ATOM 663 N THR A 158 20.935 -17.974 -12.595 1.00 24.31 N ATOM 664 CA THR A 158 20.209 -16.804 -13.072 1.00 61.42 C ATOM 665 C THR A 158 21.049 -15.540 -12.930 1.00 71.21 C ATOM 666 O THR A 158 22.148 -15.572 -12.375 1.00 51.55 O ATOM 667 CB THR A 158 18.884 -16.616 -12.309 1.00 44.42 C ATOM 668 OG1 THR A 158 19.150 -16.266 -10.946 1.00 53.43 O ATOM 669 CG2 THR A 158 18.046 -17.884 -12.358 1.00 40.15 C ATOM 0 H THR A 158 21.368 -17.856 -11.679 1.00 24.31 H new ATOM 0 HA THR A 158 19.991 -16.975 -14.126 1.00 61.42 H new ATOM 0 HB THR A 158 18.325 -15.812 -12.788 1.00 44.42 H new ATOM 0 HG1 THR A 158 18.327 -15.939 -10.526 1.00 53.43 H new ATOM 0 HG21 THR A 158 17.116 -17.727 -11.812 1.00 40.15 H new ATOM 0 HG22 THR A 158 17.821 -18.132 -13.395 1.00 40.15 H new ATOM 0 HG23 THR A 158 18.600 -18.704 -11.901 1.00 40.15 H new ATOM 677 N CYS A 159 20.525 -14.428 -13.434 1.00 0.33 N ATOM 678 CA CYS A 159 21.226 -13.151 -13.363 1.00 21.41 C ATOM 679 C CYS A 159 20.501 -12.183 -12.433 1.00 31.34 C ATOM 680 O CYS A 159 19.308 -12.334 -12.172 1.00 31.41 O ATOM 681 CB CYS A 159 21.352 -12.537 -14.758 1.00 64.04 C ATOM 682 SG CYS A 159 23.068 -12.392 -15.355 1.00 33.24 S ATOM 0 H CYS A 159 19.617 -14.385 -13.896 1.00 0.33 H new ATOM 0 HA CYS A 159 22.223 -13.334 -12.962 1.00 21.41 H new ATOM 0 HB2 CYS A 159 20.783 -13.144 -15.463 1.00 64.04 H new ATOM 0 HB3 CYS A 159 20.897 -11.547 -14.750 1.00 64.04 H new ATOM 687 N GLU A 160 21.231 -11.189 -11.936 1.00 71.41 N ATOM 688 CA GLU A 160 20.657 -10.197 -11.035 1.00 31.33 C ATOM 689 C GLU A 160 19.738 -9.242 -11.791 1.00 32.31 C ATOM 690 O GLU A 160 20.084 -8.750 -12.865 1.00 11.42 O ATOM 691 CB GLU A 160 21.766 -9.409 -10.336 1.00 2.44 C ATOM 692 CG GLU A 160 21.298 -8.670 -9.093 1.00 54.13 C ATOM 693 CD GLU A 160 20.962 -9.607 -7.949 1.00 43.21 C ATOM 694 OE1 GLU A 160 21.210 -10.823 -8.087 1.00 63.11 O ATOM 695 OE2 GLU A 160 20.452 -9.125 -6.917 1.00 1.54 O ATOM 0 H GLU A 160 22.220 -11.050 -12.142 1.00 71.41 H new ATOM 0 HA GLU A 160 20.067 -10.723 -10.285 1.00 31.33 H new ATOM 0 HB2 GLU A 160 22.568 -10.094 -10.061 1.00 2.44 H new ATOM 0 HB3 GLU A 160 22.187 -8.690 -11.039 1.00 2.44 H new ATOM 0 HG2 GLU A 160 22.075 -7.976 -8.773 1.00 54.13 H new ATOM 0 HG3 GLU A 160 20.420 -8.073 -9.339 1.00 54.13 H new ATOM 702 N VAL A 161 18.564 -8.986 -11.223 1.00 11.35 N ATOM 703 CA VAL A 161 17.594 -8.090 -11.842 1.00 3.25 C ATOM 704 C VAL A 161 16.772 -7.357 -10.787 1.00 43.34 C ATOM 705 O VAL A 161 16.708 -7.778 -9.633 1.00 14.42 O ATOM 706 CB VAL A 161 16.641 -8.855 -12.779 1.00 25.21 C ATOM 707 CG1 VAL A 161 17.430 -9.653 -13.807 1.00 13.43 C ATOM 708 CG2 VAL A 161 15.723 -9.764 -11.977 1.00 74.51 C ATOM 0 H VAL A 161 18.261 -9.386 -10.335 1.00 11.35 H new ATOM 0 HA VAL A 161 18.161 -7.365 -12.426 1.00 3.25 H new ATOM 0 HB VAL A 161 16.024 -8.132 -13.312 1.00 25.21 H new ATOM 0 HG11 VAL A 161 16.740 -10.187 -14.460 1.00 13.43 H new ATOM 0 HG12 VAL A 161 18.042 -8.975 -14.402 1.00 13.43 H new ATOM 0 HG13 VAL A 161 18.074 -10.369 -13.296 1.00 13.43 H new ATOM 0 HG21 VAL A 161 15.056 -10.297 -12.655 1.00 74.51 H new ATOM 0 HG22 VAL A 161 16.321 -10.483 -11.417 1.00 74.51 H new ATOM 0 HG23 VAL A 161 15.133 -9.165 -11.284 1.00 74.51 H new ATOM 718 N ALA A 162 16.145 -6.258 -11.193 1.00 50.41 N ATOM 719 CA ALA A 162 15.325 -5.467 -10.284 1.00 55.23 C ATOM 720 C ALA A 162 13.842 -5.624 -10.605 1.00 61.12 C ATOM 721 O ALA A 162 13.366 -5.144 -11.633 1.00 73.13 O ATOM 722 CB ALA A 162 15.728 -4.001 -10.349 1.00 31.10 C ATOM 0 H ALA A 162 16.189 -5.895 -12.145 1.00 50.41 H new ATOM 0 HA ALA A 162 15.492 -5.834 -9.271 1.00 55.23 H new ATOM 0 HB1 ALA A 162 15.107 -3.422 -9.665 1.00 31.10 H new ATOM 0 HB2 ALA A 162 16.775 -3.898 -10.064 1.00 31.10 H new ATOM 0 HB3 ALA A 162 15.591 -3.631 -11.365 1.00 31.10 H new ATOM 728 N ALA A 163 13.118 -6.300 -9.719 1.00 40.11 N ATOM 729 CA ALA A 163 11.689 -6.519 -9.908 1.00 24.11 C ATOM 730 C ALA A 163 10.976 -6.672 -8.569 1.00 53.10 C ATOM 731 O ALA A 163 11.576 -6.487 -7.510 1.00 63.25 O ATOM 732 CB ALA A 163 11.454 -7.746 -10.777 1.00 0.23 C ATOM 0 H ALA A 163 13.497 -6.705 -8.863 1.00 40.11 H new ATOM 0 HA ALA A 163 11.276 -5.646 -10.412 1.00 24.11 H new ATOM 0 HB1 ALA A 163 10.383 -7.898 -10.910 1.00 0.23 H new ATOM 0 HB2 ALA A 163 11.923 -7.598 -11.750 1.00 0.23 H new ATOM 0 HB3 ALA A 163 11.888 -8.622 -10.295 1.00 0.23 H new ATOM 738 N TRP A 164 9.692 -7.009 -8.623 1.00 64.24 N ATOM 739 CA TRP A 164 8.897 -7.186 -7.414 1.00 11.13 C ATOM 740 C TRP A 164 9.178 -8.539 -6.770 1.00 23.00 C ATOM 741 O TRP A 164 8.726 -9.576 -7.257 1.00 42.43 O ATOM 742 CB TRP A 164 7.407 -7.060 -7.736 1.00 31.34 C ATOM 743 CG TRP A 164 6.525 -7.214 -6.534 1.00 14.32 C ATOM 744 CD1 TRP A 164 5.741 -8.289 -6.224 1.00 5.21 C ATOM 745 CD2 TRP A 164 6.334 -6.260 -5.483 1.00 42.12 C ATOM 746 NE1 TRP A 164 5.076 -8.061 -5.044 1.00 14.33 N ATOM 747 CE2 TRP A 164 5.423 -6.824 -4.569 1.00 12.31 C ATOM 748 CE3 TRP A 164 6.846 -4.986 -5.225 1.00 3.35 C ATOM 749 CZ2 TRP A 164 5.014 -6.155 -3.418 1.00 72.21 C ATOM 750 CZ3 TRP A 164 6.439 -4.324 -4.082 1.00 42.50 C ATOM 751 CH2 TRP A 164 5.531 -4.909 -3.190 1.00 20.01 C ATOM 0 H TRP A 164 9.180 -7.165 -9.491 1.00 64.24 H new ATOM 0 HA TRP A 164 9.177 -6.404 -6.708 1.00 11.13 H new ATOM 0 HB2 TRP A 164 7.222 -6.087 -8.191 1.00 31.34 H new ATOM 0 HB3 TRP A 164 7.137 -7.814 -8.475 1.00 31.34 H new ATOM 0 HD1 TRP A 164 5.657 -9.186 -6.819 1.00 5.21 H new ATOM 0 HE1 TRP A 164 4.428 -8.708 -4.594 1.00 14.33 H new ATOM 0 HE3 TRP A 164 7.547 -4.527 -5.906 1.00 3.35 H new ATOM 0 HZ2 TRP A 164 4.313 -6.604 -2.730 1.00 72.21 H new ATOM 0 HZ3 TRP A 164 6.828 -3.338 -3.873 1.00 42.50 H new ATOM 0 HH2 TRP A 164 5.233 -4.366 -2.305 1.00 20.01 H new ATOM 762 N CYS A 165 9.927 -8.523 -5.672 1.00 62.04 N ATOM 763 CA CYS A 165 10.269 -9.749 -4.962 1.00 3.05 C ATOM 764 C CYS A 165 10.575 -9.460 -3.495 1.00 11.04 C ATOM 765 O CYS A 165 10.989 -8.361 -3.126 1.00 12.32 O ATOM 766 CB CYS A 165 11.472 -10.427 -5.621 1.00 2.35 C ATOM 767 SG CYS A 165 13.055 -9.569 -5.340 1.00 32.45 S ATOM 0 H CYS A 165 10.309 -7.674 -5.255 1.00 62.04 H new ATOM 0 HA CYS A 165 9.411 -10.419 -5.011 1.00 3.05 H new ATOM 0 HB2 CYS A 165 11.552 -11.447 -5.245 1.00 2.35 H new ATOM 0 HB3 CYS A 165 11.294 -10.496 -6.694 1.00 2.35 H new