USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=11 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 :FLIP amide:sc= -1.36 F(o=-2.5!,f=-1.4) USER MOD Single : A 114 SER OG : rot 180:sc= -0.086 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 81:sc= 0.277 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.0285 X(o=-0.029,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 -120:sc= -1.82 USER MOD Single : A 153 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.8) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00482) USER MOD Single : A 158 THR OG1 : rot -176:sc= 0.76 USER MOD ----------------------------------------------------------------- ATOM 49 N GLN A 113 10.290 -1.394 -6.092 1.00 45.34 N ATOM 50 CA GLN A 113 11.280 -1.923 -7.024 1.00 34.12 C ATOM 51 C GLN A 113 12.599 -2.208 -6.313 1.00 52.42 C ATOM 52 O GLN A 113 13.348 -1.288 -5.983 1.00 20.50 O ATOM 53 CB GLN A 113 11.507 -0.939 -8.173 1.00 23.14 C ATOM 54 CG GLN A 113 12.664 -1.322 -9.081 1.00 43.12 C ATOM 55 CD GLN A 113 13.951 -0.606 -8.721 1.00 1.02 C ATOM 56 OE1 GLN A 113 14.959 -1.369 -8.315 1.00 42.33 O flip ATOM 57 NE2 GLN A 113 14.038 0.619 -8.806 1.00 4.45 N flip ATOM 0 HA GLN A 113 10.897 -2.860 -7.429 1.00 34.12 H new ATOM 0 HB2 GLN A 113 10.596 -0.871 -8.768 1.00 23.14 H new ATOM 0 HB3 GLN A 113 11.693 0.053 -7.760 1.00 23.14 H new ATOM 0 HG2 GLN A 113 12.824 -2.399 -9.025 1.00 43.12 H new ATOM 0 HG3 GLN A 113 12.402 -1.092 -10.114 1.00 43.12 H new ATOM 0 HE21 GLN A 113 13.238 1.166 -9.123 1.00 4.45 H new ATOM 0 HE22 GLN A 113 14.910 1.087 -8.560 1.00 4.45 H new ATOM 66 N SER A 114 12.876 -3.487 -6.081 1.00 2.53 N ATOM 67 CA SER A 114 14.103 -3.892 -5.405 1.00 44.04 C ATOM 68 C SER A 114 14.948 -4.789 -6.305 1.00 51.24 C ATOM 69 O SER A 114 14.514 -5.192 -7.385 1.00 54.52 O ATOM 70 CB SER A 114 13.776 -4.622 -4.102 1.00 34.34 C ATOM 71 OG SER A 114 14.936 -4.792 -3.306 1.00 41.52 O ATOM 0 H SER A 114 12.268 -4.260 -6.351 1.00 2.53 H new ATOM 0 HA SER A 114 14.675 -2.993 -5.175 1.00 44.04 H new ATOM 0 HB2 SER A 114 13.028 -4.059 -3.544 1.00 34.34 H new ATOM 0 HB3 SER A 114 13.340 -5.595 -4.327 1.00 34.34 H new ATOM 0 HG SER A 114 14.699 -5.260 -2.478 1.00 41.52 H new ATOM 77 N THR A 115 16.159 -5.098 -5.853 1.00 61.40 N ATOM 78 CA THR A 115 17.066 -5.946 -6.616 1.00 64.11 C ATOM 79 C THR A 115 17.114 -7.357 -6.042 1.00 22.32 C ATOM 80 O THR A 115 17.089 -7.545 -4.825 1.00 43.30 O ATOM 81 CB THR A 115 18.493 -5.365 -6.639 1.00 13.21 C ATOM 82 OG1 THR A 115 19.001 -5.262 -5.304 1.00 64.33 O ATOM 83 CG2 THR A 115 18.508 -3.995 -7.300 1.00 2.45 C ATOM 0 H THR A 115 16.534 -4.773 -4.962 1.00 61.40 H new ATOM 0 HA THR A 115 16.680 -5.984 -7.635 1.00 64.11 H new ATOM 0 HB THR A 115 19.127 -6.037 -7.218 1.00 13.21 H new ATOM 0 HG1 THR A 115 19.909 -4.894 -5.327 1.00 64.33 H new ATOM 0 HG21 THR A 115 19.526 -3.604 -7.305 1.00 2.45 H new ATOM 0 HG22 THR A 115 18.148 -4.082 -8.325 1.00 2.45 H new ATOM 0 HG23 THR A 115 17.861 -3.316 -6.744 1.00 2.45 H new ATOM 91 N CYS A 116 17.184 -8.348 -6.924 1.00 75.24 N ATOM 92 CA CYS A 116 17.235 -9.744 -6.506 1.00 2.33 C ATOM 93 C CYS A 116 17.472 -10.662 -7.701 1.00 42.12 C ATOM 94 O CYS A 116 17.190 -10.314 -8.848 1.00 72.51 O ATOM 95 CB CYS A 116 15.936 -10.134 -5.798 1.00 71.24 C ATOM 96 SG CYS A 116 14.428 -9.555 -6.640 1.00 51.34 S ATOM 0 H CYS A 116 17.207 -8.210 -7.934 1.00 75.24 H new ATOM 0 HA CYS A 116 18.068 -9.859 -5.812 1.00 2.33 H new ATOM 0 HB2 CYS A 116 15.895 -11.220 -5.708 1.00 71.24 H new ATOM 0 HB3 CYS A 116 15.951 -9.731 -4.785 1.00 71.24 H new ATOM 101 N PRO A 117 18.003 -11.863 -7.429 1.00 21.15 N ATOM 102 CA PRO A 117 18.289 -12.857 -8.468 1.00 2.42 C ATOM 103 C PRO A 117 17.019 -13.446 -9.071 1.00 61.15 C ATOM 104 O PRO A 117 16.224 -14.074 -8.374 1.00 34.12 O ATOM 105 CB PRO A 117 19.077 -13.935 -7.720 1.00 34.50 C ATOM 106 CG PRO A 117 18.643 -13.806 -6.301 1.00 14.12 C ATOM 107 CD PRO A 117 18.365 -12.344 -6.084 1.00 74.15 C ATOM 0 HA PRO A 117 18.828 -12.423 -9.310 1.00 2.42 H new ATOM 0 HB2 PRO A 117 18.859 -14.928 -8.112 1.00 34.50 H new ATOM 0 HB3 PRO A 117 20.151 -13.782 -7.821 1.00 34.50 H new ATOM 0 HG2 PRO A 117 17.753 -14.405 -6.109 1.00 14.12 H new ATOM 0 HG3 PRO A 117 19.418 -14.161 -5.622 1.00 14.12 H new ATOM 0 HD2 PRO A 117 17.555 -12.190 -5.371 1.00 74.15 H new ATOM 0 HD3 PRO A 117 19.238 -11.823 -5.692 1.00 74.15 H new ATOM 115 N GLU A 118 16.836 -13.240 -10.372 1.00 3.40 N ATOM 116 CA GLU A 118 15.662 -13.751 -11.068 1.00 73.33 C ATOM 117 C GLU A 118 15.473 -15.241 -10.795 1.00 44.24 C ATOM 118 O GLU A 118 16.412 -15.934 -10.403 1.00 64.11 O ATOM 119 CB GLU A 118 15.788 -13.509 -12.574 1.00 23.51 C ATOM 120 CG GLU A 118 14.966 -12.333 -13.073 1.00 32.33 C ATOM 121 CD GLU A 118 14.128 -12.681 -14.288 1.00 11.02 C ATOM 122 OE1 GLU A 118 13.305 -13.616 -14.193 1.00 25.13 O ATOM 123 OE2 GLU A 118 14.294 -12.019 -15.333 1.00 45.22 O ATOM 0 H GLU A 118 17.486 -12.723 -10.964 1.00 3.40 H new ATOM 0 HA GLU A 118 14.789 -13.217 -10.694 1.00 73.33 H new ATOM 0 HB2 GLU A 118 16.836 -13.339 -12.819 1.00 23.51 H new ATOM 0 HB3 GLU A 118 15.478 -14.409 -13.105 1.00 23.51 H new ATOM 0 HG2 GLU A 118 14.312 -11.986 -12.273 1.00 32.33 H new ATOM 0 HG3 GLU A 118 15.633 -11.507 -13.321 1.00 32.33 H new ATOM 130 N ILE A 119 14.254 -15.725 -11.005 1.00 70.12 N ATOM 131 CA ILE A 119 13.942 -17.131 -10.783 1.00 24.55 C ATOM 132 C ILE A 119 14.349 -17.981 -11.982 1.00 24.25 C ATOM 133 O ILE A 119 14.056 -17.657 -13.132 1.00 51.43 O ATOM 134 CB ILE A 119 12.441 -17.339 -10.507 1.00 4.34 C ATOM 135 CG1 ILE A 119 11.997 -16.486 -9.317 1.00 12.32 C ATOM 136 CG2 ILE A 119 12.148 -18.809 -10.250 1.00 61.31 C ATOM 137 CD1 ILE A 119 10.506 -16.531 -9.064 1.00 60.03 C ATOM 0 H ILE A 119 13.466 -15.164 -11.329 1.00 70.12 H new ATOM 0 HA ILE A 119 14.511 -17.445 -9.908 1.00 24.55 H new ATOM 0 HB ILE A 119 11.878 -17.025 -11.386 1.00 4.34 H new ATOM 0 HG12 ILE A 119 12.520 -16.825 -8.422 1.00 12.32 H new ATOM 0 HG13 ILE A 119 12.297 -15.452 -9.489 1.00 12.32 H new ATOM 0 HG21 ILE A 119 11.083 -18.939 -10.057 1.00 61.31 H new ATOM 0 HG22 ILE A 119 12.433 -19.395 -11.124 1.00 61.31 H new ATOM 0 HG23 ILE A 119 12.718 -19.148 -9.385 1.00 61.31 H new ATOM 0 HD11 ILE A 119 10.263 -15.904 -8.206 1.00 60.03 H new ATOM 0 HD12 ILE A 119 9.977 -16.164 -9.943 1.00 60.03 H new ATOM 0 HD13 ILE A 119 10.202 -17.558 -8.860 1.00 60.03 H new ATOM 149 N PRO A 120 15.041 -19.098 -11.708 1.00 52.40 N ATOM 150 CA PRO A 120 15.501 -20.019 -12.751 1.00 62.10 C ATOM 151 C PRO A 120 14.350 -20.775 -13.406 1.00 21.11 C ATOM 152 O PRO A 120 13.518 -21.372 -12.722 1.00 42.12 O ATOM 153 CB PRO A 120 16.413 -20.986 -11.992 1.00 62.44 C ATOM 154 CG PRO A 120 15.920 -20.948 -10.587 1.00 64.30 C ATOM 155 CD PRO A 120 15.426 -19.547 -10.360 1.00 11.45 C ATOM 0 HA PRO A 120 15.997 -19.495 -13.568 1.00 62.10 H new ATOM 0 HB2 PRO A 120 16.354 -21.993 -12.405 1.00 62.44 H new ATOM 0 HB3 PRO A 120 17.456 -20.677 -12.054 1.00 62.44 H new ATOM 0 HG2 PRO A 120 15.121 -21.673 -10.434 1.00 64.30 H new ATOM 0 HG3 PRO A 120 16.717 -21.199 -9.887 1.00 64.30 H new ATOM 0 HD2 PRO A 120 14.580 -19.526 -9.673 1.00 11.45 H new ATOM 0 HD3 PRO A 120 16.201 -18.912 -9.931 1.00 11.45 H new ATOM 163 N ASP A 121 14.309 -20.746 -14.733 1.00 52.14 N ATOM 164 CA ASP A 121 13.260 -21.430 -15.481 1.00 21.11 C ATOM 165 C ASP A 121 13.847 -22.197 -16.662 1.00 33.32 C ATOM 166 O ASP A 121 14.855 -21.792 -17.240 1.00 64.30 O ATOM 167 CB ASP A 121 12.219 -20.425 -15.976 1.00 73.31 C ATOM 168 CG ASP A 121 11.023 -21.100 -16.619 1.00 61.12 C ATOM 169 OD1 ASP A 121 10.341 -21.885 -15.927 1.00 51.21 O ATOM 170 OD2 ASP A 121 10.769 -20.843 -17.814 1.00 40.13 O ATOM 0 H ASP A 121 14.990 -20.256 -15.313 1.00 52.14 H new ATOM 0 HA ASP A 121 12.776 -22.142 -14.813 1.00 21.11 H new ATOM 0 HB2 ASP A 121 11.881 -19.814 -15.139 1.00 73.31 H new ATOM 0 HB3 ASP A 121 12.683 -19.751 -16.696 1.00 73.31 H new ATOM 175 N LYS A 122 13.209 -23.308 -17.014 1.00 71.35 N ATOM 176 CA LYS A 122 13.666 -24.133 -18.126 1.00 61.43 C ATOM 177 C LYS A 122 13.657 -23.342 -19.430 1.00 63.45 C ATOM 178 O LYS A 122 14.307 -23.723 -20.405 1.00 21.42 O ATOM 179 CB LYS A 122 12.782 -25.375 -18.264 1.00 52.24 C ATOM 180 CG LYS A 122 12.821 -26.288 -17.051 1.00 42.41 C ATOM 181 CD LYS A 122 13.994 -27.251 -17.116 1.00 61.42 C ATOM 182 CE LYS A 122 14.099 -28.088 -15.850 1.00 41.12 C ATOM 183 NZ LYS A 122 15.271 -29.005 -15.887 1.00 65.32 N ATOM 0 H LYS A 122 12.374 -23.658 -16.545 1.00 71.35 H new ATOM 0 HA LYS A 122 14.690 -24.445 -17.918 1.00 61.43 H new ATOM 0 HB2 LYS A 122 11.753 -25.061 -18.438 1.00 52.24 H new ATOM 0 HB3 LYS A 122 13.096 -25.938 -19.142 1.00 52.24 H new ATOM 0 HG2 LYS A 122 12.892 -25.687 -16.144 1.00 42.41 H new ATOM 0 HG3 LYS A 122 11.890 -26.851 -16.988 1.00 42.41 H new ATOM 0 HD2 LYS A 122 13.880 -27.907 -17.979 1.00 61.42 H new ATOM 0 HD3 LYS A 122 14.918 -26.691 -17.261 1.00 61.42 H new ATOM 0 HE2 LYS A 122 14.180 -27.430 -14.985 1.00 41.12 H new ATOM 0 HE3 LYS A 122 13.186 -28.670 -15.723 1.00 41.12 H new ATOM 0 HZ1 LYS A 122 15.307 -29.558 -15.007 1.00 65.32 H new ATOM 0 HZ2 LYS A 122 15.181 -29.650 -16.698 1.00 65.32 H new ATOM 0 HZ3 LYS A 122 16.144 -28.448 -15.983 1.00 65.32 H new ATOM 197 N THR A 123 12.918 -22.238 -19.442 1.00 52.44 N ATOM 198 CA THR A 123 12.825 -21.393 -20.626 1.00 51.24 C ATOM 199 C THR A 123 13.644 -20.118 -20.458 1.00 62.31 C ATOM 200 O THR A 123 14.119 -19.541 -21.436 1.00 5.01 O ATOM 201 CB THR A 123 11.364 -21.014 -20.933 1.00 12.43 C ATOM 202 OG1 THR A 123 10.486 -22.059 -20.501 1.00 75.14 O ATOM 203 CG2 THR A 123 11.170 -20.763 -22.421 1.00 22.33 C ATOM 0 H THR A 123 12.375 -21.908 -18.645 1.00 52.44 H new ATOM 0 HA THR A 123 13.225 -21.972 -21.459 1.00 51.24 H new ATOM 0 HB THR A 123 11.129 -20.097 -20.393 1.00 12.43 H new ATOM 0 HG1 THR A 123 10.327 -21.975 -19.538 1.00 75.14 H new ATOM 0 HG21 THR A 123 10.130 -20.497 -22.613 1.00 22.33 H new ATOM 0 HG22 THR A 123 11.818 -19.947 -22.740 1.00 22.33 H new ATOM 0 HG23 THR A 123 11.422 -21.665 -22.978 1.00 22.33 H new ATOM 211 N SER A 124 13.806 -19.685 -19.212 1.00 43.32 N ATOM 212 CA SER A 124 14.566 -18.476 -18.916 1.00 43.13 C ATOM 213 C SER A 124 15.804 -18.802 -18.086 1.00 11.12 C ATOM 214 O SER A 124 15.701 -19.142 -16.907 1.00 24.12 O ATOM 215 CB SER A 124 13.690 -17.467 -18.172 1.00 10.51 C ATOM 216 OG SER A 124 12.347 -17.528 -18.621 1.00 23.22 O ATOM 0 H SER A 124 13.421 -20.153 -18.391 1.00 43.32 H new ATOM 0 HA SER A 124 14.889 -18.039 -19.861 1.00 43.13 H new ATOM 0 HB2 SER A 124 13.728 -17.668 -17.101 1.00 10.51 H new ATOM 0 HB3 SER A 124 14.081 -16.461 -18.322 1.00 10.51 H new ATOM 0 HG SER A 124 11.807 -16.875 -18.129 1.00 23.22 H new ATOM 222 N ILE A 125 16.972 -18.695 -18.710 1.00 21.33 N ATOM 223 CA ILE A 125 18.230 -18.977 -18.029 1.00 33.51 C ATOM 224 C ILE A 125 19.199 -17.808 -18.158 1.00 43.33 C ATOM 225 O ILE A 125 19.075 -16.981 -19.062 1.00 50.13 O ATOM 226 CB ILE A 125 18.899 -20.248 -18.586 1.00 35.13 C ATOM 227 CG1 ILE A 125 17.876 -21.380 -18.703 1.00 15.14 C ATOM 228 CG2 ILE A 125 20.061 -20.667 -17.698 1.00 60.12 C ATOM 229 CD1 ILE A 125 17.122 -21.380 -20.014 1.00 14.11 C ATOM 0 H ILE A 125 17.074 -18.415 -19.686 1.00 21.33 H new ATOM 0 HA ILE A 125 17.991 -19.133 -16.977 1.00 33.51 H new ATOM 0 HB ILE A 125 19.287 -20.030 -19.581 1.00 35.13 H new ATOM 0 HG12 ILE A 125 18.388 -22.335 -18.588 1.00 15.14 H new ATOM 0 HG13 ILE A 125 17.163 -21.300 -17.883 1.00 15.14 H new ATOM 0 HG21 ILE A 125 20.524 -21.566 -18.104 1.00 60.12 H new ATOM 0 HG22 ILE A 125 20.798 -19.865 -17.661 1.00 60.12 H new ATOM 0 HG23 ILE A 125 19.695 -20.870 -16.692 1.00 60.12 H new ATOM 0 HD11 ILE A 125 16.415 -22.209 -20.027 1.00 14.11 H new ATOM 0 HD12 ILE A 125 16.581 -20.440 -20.123 1.00 14.11 H new ATOM 0 HD13 ILE A 125 17.826 -21.491 -20.839 1.00 14.11 H new ATOM 241 N CYS A 126 20.167 -17.745 -17.250 1.00 32.14 N ATOM 242 CA CYS A 126 21.160 -16.678 -17.262 1.00 10.14 C ATOM 243 C CYS A 126 22.518 -17.204 -17.717 1.00 1.20 C ATOM 244 O CYS A 126 22.906 -18.322 -17.382 1.00 71.33 O ATOM 245 CB CYS A 126 21.283 -16.052 -15.871 1.00 43.10 C ATOM 246 SG CYS A 126 22.661 -14.871 -15.707 1.00 14.12 S ATOM 0 H CYS A 126 20.285 -18.421 -16.496 1.00 32.14 H new ATOM 0 HA CYS A 126 20.830 -15.916 -17.968 1.00 10.14 H new ATOM 0 HB2 CYS A 126 20.350 -15.542 -15.630 1.00 43.10 H new ATOM 0 HB3 CYS A 126 21.410 -16.847 -15.136 1.00 43.10 H new ATOM 251 N ASN A 127 23.236 -16.388 -18.482 1.00 60.13 N ATOM 252 CA ASN A 127 24.551 -16.771 -18.984 1.00 52.21 C ATOM 253 C ASN A 127 25.658 -16.133 -18.151 1.00 1.24 C ATOM 254 O ASN A 127 25.389 -15.391 -17.206 1.00 11.10 O ATOM 255 CB ASN A 127 24.700 -16.360 -20.450 1.00 54.53 C ATOM 256 CG ASN A 127 23.616 -16.953 -21.330 1.00 11.41 C ATOM 257 OD1 ASN A 127 23.799 -18.012 -21.930 1.00 53.34 O ATOM 258 ND2 ASN A 127 22.480 -16.270 -21.410 1.00 34.11 N ATOM 0 H ASN A 127 22.930 -15.458 -18.768 1.00 60.13 H new ATOM 0 HA ASN A 127 24.640 -17.855 -18.906 1.00 52.21 H new ATOM 0 HB2 ASN A 127 24.670 -15.273 -20.525 1.00 54.53 H new ATOM 0 HB3 ASN A 127 25.676 -16.678 -20.816 1.00 54.53 H new ATOM 0 HD21 ASN A 127 21.715 -16.619 -21.987 1.00 34.11 H new ATOM 0 HD22 ASN A 127 22.373 -15.396 -20.895 1.00 34.11 H new ATOM 265 N SER A 128 26.904 -16.427 -18.508 1.00 2.23 N ATOM 266 CA SER A 128 28.053 -15.885 -17.791 1.00 52.11 C ATOM 267 C SER A 128 28.068 -14.361 -17.862 1.00 53.13 C ATOM 268 O SER A 128 27.303 -13.756 -18.614 1.00 65.14 O ATOM 269 CB SER A 128 29.353 -16.447 -18.370 1.00 11.54 C ATOM 270 OG SER A 128 29.572 -17.777 -17.933 1.00 44.23 O ATOM 0 H SER A 128 27.144 -17.037 -19.289 1.00 2.23 H new ATOM 0 HA SER A 128 27.971 -16.182 -16.745 1.00 52.11 H new ATOM 0 HB2 SER A 128 29.311 -16.421 -19.459 1.00 11.54 H new ATOM 0 HB3 SER A 128 30.191 -15.819 -18.068 1.00 11.54 H new ATOM 0 HG SER A 128 30.408 -18.114 -18.318 1.00 44.23 H new ATOM 276 N ASP A 129 28.943 -13.747 -17.074 1.00 10.11 N ATOM 277 CA ASP A 129 29.060 -12.294 -17.047 1.00 14.51 C ATOM 278 C ASP A 129 29.363 -11.747 -18.438 1.00 54.25 C ATOM 279 O ASP A 129 28.971 -10.630 -18.776 1.00 71.22 O ATOM 280 CB ASP A 129 30.155 -11.866 -16.068 1.00 75.51 C ATOM 281 CG ASP A 129 31.487 -12.525 -16.367 1.00 1.12 C ATOM 282 OD1 ASP A 129 32.163 -12.090 -17.322 1.00 44.44 O ATOM 283 OD2 ASP A 129 31.854 -13.475 -15.644 1.00 41.14 O ATOM 0 H ASP A 129 29.582 -14.233 -16.445 1.00 10.11 H new ATOM 0 HA ASP A 129 28.106 -11.884 -16.715 1.00 14.51 H new ATOM 0 HB2 ASP A 129 30.271 -10.783 -16.108 1.00 75.51 H new ATOM 0 HB3 ASP A 129 29.849 -12.116 -15.052 1.00 75.51 H new ATOM 288 N ALA A 130 30.063 -12.541 -19.241 1.00 62.22 N ATOM 289 CA ALA A 130 30.418 -12.137 -20.596 1.00 70.40 C ATOM 290 C ALA A 130 29.222 -12.255 -21.535 1.00 21.12 C ATOM 291 O ALA A 130 29.288 -11.844 -22.694 1.00 34.25 O ATOM 292 CB ALA A 130 31.579 -12.976 -21.110 1.00 2.43 C ATOM 0 H ALA A 130 30.396 -13.468 -18.977 1.00 62.22 H new ATOM 0 HA ALA A 130 30.724 -11.091 -20.568 1.00 70.40 H new ATOM 0 HB1 ALA A 130 31.833 -12.663 -22.123 1.00 2.43 H new ATOM 0 HB2 ALA A 130 32.443 -12.838 -20.460 1.00 2.43 H new ATOM 0 HB3 ALA A 130 31.293 -14.028 -21.116 1.00 2.43 H new ATOM 298 N ASP A 131 28.131 -12.819 -21.028 1.00 3.01 N ATOM 299 CA ASP A 131 26.920 -12.991 -21.822 1.00 10.55 C ATOM 300 C ASP A 131 25.725 -12.334 -21.137 1.00 73.54 C ATOM 301 O ASP A 131 24.615 -12.331 -21.671 1.00 70.41 O ATOM 302 CB ASP A 131 26.640 -14.477 -22.050 1.00 4.24 C ATOM 303 CG ASP A 131 27.388 -15.030 -23.247 1.00 4.41 C ATOM 304 OD1 ASP A 131 28.616 -15.232 -23.138 1.00 42.32 O ATOM 305 OD2 ASP A 131 26.746 -15.261 -24.292 1.00 51.12 O ATOM 0 H ASP A 131 28.060 -13.165 -20.071 1.00 3.01 H new ATOM 0 HA ASP A 131 27.075 -12.507 -22.786 1.00 10.55 H new ATOM 0 HB2 ASP A 131 26.921 -15.038 -21.159 1.00 4.24 H new ATOM 0 HB3 ASP A 131 25.570 -14.624 -22.194 1.00 4.24 H new ATOM 310 N CYS A 132 25.958 -11.780 -19.952 1.00 64.45 N ATOM 311 CA CYS A 132 24.902 -11.123 -19.194 1.00 13.54 C ATOM 312 C CYS A 132 25.218 -9.644 -18.990 1.00 4.25 C ATOM 313 O CYS A 132 26.299 -9.287 -18.520 1.00 25.35 O ATOM 314 CB CYS A 132 24.716 -11.807 -17.838 1.00 63.52 C ATOM 315 SG CYS A 132 23.022 -11.703 -17.178 1.00 12.33 S ATOM 0 H CYS A 132 26.870 -11.773 -19.496 1.00 64.45 H new ATOM 0 HA CYS A 132 23.977 -11.204 -19.764 1.00 13.54 H new ATOM 0 HB2 CYS A 132 24.994 -12.857 -17.932 1.00 63.52 H new ATOM 0 HB3 CYS A 132 25.402 -11.358 -17.120 1.00 63.52 H new ATOM 320 N THR A 133 24.267 -8.786 -19.346 1.00 44.20 N ATOM 321 CA THR A 133 24.444 -7.346 -19.203 1.00 62.23 C ATOM 322 C THR A 133 23.221 -6.703 -18.561 1.00 13.03 C ATOM 323 O THR A 133 22.090 -7.162 -18.724 1.00 61.04 O ATOM 324 CB THR A 133 24.708 -6.675 -20.564 1.00 53.15 C ATOM 325 OG1 THR A 133 23.684 -7.040 -21.497 1.00 42.10 O ATOM 326 CG2 THR A 133 26.068 -7.079 -21.113 1.00 10.12 C ATOM 0 H THR A 133 23.366 -9.063 -19.736 1.00 44.20 H new ATOM 0 HA THR A 133 25.310 -7.196 -18.558 1.00 62.23 H new ATOM 0 HB THR A 133 24.699 -5.595 -20.419 1.00 53.15 H new ATOM 0 HG1 THR A 133 23.858 -6.608 -22.359 1.00 42.10 H new ATOM 0 HG21 THR A 133 26.231 -6.592 -22.075 1.00 10.12 H new ATOM 0 HG22 THR A 133 26.847 -6.774 -20.415 1.00 10.12 H new ATOM 0 HG23 THR A 133 26.101 -8.161 -21.243 1.00 10.12 H new ATOM 334 N PRO A 134 23.448 -5.614 -17.812 1.00 4.22 N ATOM 335 CA PRO A 134 22.376 -4.883 -17.130 1.00 74.33 C ATOM 336 C PRO A 134 21.468 -4.143 -18.106 1.00 51.43 C ATOM 337 O PRO A 134 21.781 -4.020 -19.290 1.00 2.14 O ATOM 338 CB PRO A 134 23.131 -3.890 -16.243 1.00 73.14 C ATOM 339 CG PRO A 134 24.442 -3.695 -16.924 1.00 33.53 C ATOM 340 CD PRO A 134 24.771 -5.011 -17.573 1.00 74.21 C ATOM 0 HA PRO A 134 21.715 -5.551 -16.577 1.00 74.33 H new ATOM 0 HB2 PRO A 134 22.589 -2.949 -16.151 1.00 73.14 H new ATOM 0 HB3 PRO A 134 23.263 -4.281 -15.234 1.00 73.14 H new ATOM 0 HG2 PRO A 134 24.382 -2.898 -17.666 1.00 33.53 H new ATOM 0 HG3 PRO A 134 25.214 -3.408 -16.210 1.00 33.53 H new ATOM 0 HD2 PRO A 134 25.324 -4.874 -18.502 1.00 74.21 H new ATOM 0 HD3 PRO A 134 25.386 -5.636 -16.925 1.00 74.21 H new ATOM 348 N GLY A 135 20.341 -3.650 -17.602 1.00 12.44 N ATOM 349 CA GLY A 135 19.405 -2.927 -18.443 1.00 41.30 C ATOM 350 C GLY A 135 18.059 -3.618 -18.540 1.00 45.33 C ATOM 351 O GLY A 135 17.198 -3.438 -17.679 1.00 62.33 O ATOM 0 H GLY A 135 20.059 -3.738 -16.626 1.00 12.44 H new ATOM 0 HA2 GLY A 135 19.266 -1.922 -18.046 1.00 41.30 H new ATOM 0 HA3 GLY A 135 19.827 -2.819 -19.442 1.00 41.30 H new ATOM 447 N GLY A 143 11.786 -5.509 -15.512 1.00 52.35 N ATOM 448 CA GLY A 143 12.663 -4.975 -14.487 1.00 12.12 C ATOM 449 C GLY A 143 13.953 -4.421 -15.058 1.00 22.41 C ATOM 450 O GLY A 143 14.088 -4.267 -16.272 1.00 15.32 O ATOM 0 HA2 GLY A 143 12.143 -4.187 -13.942 1.00 12.12 H new ATOM 0 HA3 GLY A 143 12.896 -5.760 -13.767 1.00 12.12 H new ATOM 454 N VAL A 144 14.906 -4.120 -14.181 1.00 33.32 N ATOM 455 CA VAL A 144 16.192 -3.580 -14.604 1.00 71.04 C ATOM 456 C VAL A 144 17.311 -4.593 -14.389 1.00 41.34 C ATOM 457 O VAL A 144 17.730 -4.839 -13.259 1.00 20.40 O ATOM 458 CB VAL A 144 16.534 -2.284 -13.845 1.00 30.40 C ATOM 459 CG1 VAL A 144 17.770 -1.627 -14.439 1.00 64.44 C ATOM 460 CG2 VAL A 144 15.351 -1.328 -13.864 1.00 31.34 C ATOM 0 H VAL A 144 14.811 -4.241 -13.173 1.00 33.32 H new ATOM 0 HA VAL A 144 16.107 -3.357 -15.668 1.00 71.04 H new ATOM 0 HB VAL A 144 16.750 -2.538 -12.807 1.00 30.40 H new ATOM 0 HG11 VAL A 144 17.996 -0.713 -13.890 1.00 64.44 H new ATOM 0 HG12 VAL A 144 18.615 -2.311 -14.368 1.00 64.44 H new ATOM 0 HG13 VAL A 144 17.586 -1.385 -15.486 1.00 64.44 H new ATOM 0 HG21 VAL A 144 15.610 -0.418 -13.323 1.00 31.34 H new ATOM 0 HG22 VAL A 144 15.101 -1.079 -14.895 1.00 31.34 H new ATOM 0 HG23 VAL A 144 14.493 -1.802 -13.387 1.00 31.34 H new ATOM 470 N ALA A 145 17.791 -5.176 -15.483 1.00 25.45 N ATOM 471 CA ALA A 145 18.864 -6.161 -15.414 1.00 42.21 C ATOM 472 C ALA A 145 20.084 -5.594 -14.696 1.00 23.20 C ATOM 473 O ALA A 145 20.443 -4.431 -14.882 1.00 64.02 O ATOM 474 CB ALA A 145 19.242 -6.628 -16.812 1.00 51.21 C ATOM 0 H ALA A 145 17.454 -4.984 -16.426 1.00 25.45 H new ATOM 0 HA ALA A 145 18.503 -7.016 -14.842 1.00 42.21 H new ATOM 0 HB1 ALA A 145 20.044 -7.363 -16.746 1.00 51.21 H new ATOM 0 HB2 ALA A 145 18.374 -7.080 -17.292 1.00 51.21 H new ATOM 0 HB3 ALA A 145 19.579 -5.775 -17.402 1.00 51.21 H new ATOM 480 N THR A 146 20.719 -6.423 -13.873 1.00 31.41 N ATOM 481 CA THR A 146 21.898 -6.004 -13.125 1.00 74.41 C ATOM 482 C THR A 146 23.178 -6.374 -13.865 1.00 42.11 C ATOM 483 O THR A 146 24.206 -5.714 -13.715 1.00 73.20 O ATOM 484 CB THR A 146 21.928 -6.639 -11.722 1.00 34.20 C ATOM 485 OG1 THR A 146 20.599 -6.728 -11.196 1.00 12.22 O ATOM 486 CG2 THR A 146 22.799 -5.824 -10.778 1.00 30.40 C ATOM 0 H THR A 146 20.436 -7.389 -13.708 1.00 31.41 H new ATOM 0 HA THR A 146 21.840 -4.920 -13.024 1.00 74.41 H new ATOM 0 HB THR A 146 22.351 -7.640 -11.809 1.00 34.20 H new ATOM 0 HG1 THR A 146 20.542 -6.216 -10.362 1.00 12.22 H new ATOM 0 HG21 THR A 146 22.805 -6.292 -9.793 1.00 30.40 H new ATOM 0 HG22 THR A 146 23.817 -5.783 -11.166 1.00 30.40 H new ATOM 0 HG23 THR A 146 22.400 -4.813 -10.697 1.00 30.40 H new ATOM 494 N GLY A 147 23.109 -7.433 -14.666 1.00 22.23 N ATOM 495 CA GLY A 147 24.270 -7.871 -15.418 1.00 23.51 C ATOM 496 C GLY A 147 25.032 -8.978 -14.716 1.00 3.34 C ATOM 497 O GLY A 147 25.554 -9.888 -15.360 1.00 52.44 O ATOM 0 H GLY A 147 22.270 -7.995 -14.807 1.00 22.23 H new ATOM 0 HA2 GLY A 147 23.952 -8.220 -16.401 1.00 23.51 H new ATOM 0 HA3 GLY A 147 24.935 -7.023 -15.580 1.00 23.51 H new ATOM 501 N ARG A 148 25.099 -8.899 -13.391 1.00 32.45 N ATOM 502 CA ARG A 148 25.805 -9.900 -12.601 1.00 24.45 C ATOM 503 C ARG A 148 24.997 -11.191 -12.509 1.00 73.24 C ATOM 504 O ARG A 148 23.842 -11.184 -12.082 1.00 30.22 O ATOM 505 CB ARG A 148 26.091 -9.365 -11.196 1.00 53.53 C ATOM 506 CG ARG A 148 27.277 -8.416 -11.136 1.00 30.33 C ATOM 507 CD ARG A 148 27.745 -8.200 -9.705 1.00 71.20 C ATOM 508 NE ARG A 148 29.010 -7.472 -9.647 1.00 34.12 N ATOM 509 CZ ARG A 148 29.549 -7.025 -8.518 1.00 60.32 C ATOM 510 NH1 ARG A 148 28.937 -7.231 -7.360 1.00 63.41 N ATOM 511 NH2 ARG A 148 30.703 -6.371 -8.547 1.00 21.15 N ATOM 0 H ARG A 148 24.673 -8.152 -12.842 1.00 32.45 H new ATOM 0 HA ARG A 148 26.750 -10.117 -13.099 1.00 24.45 H new ATOM 0 HB2 ARG A 148 25.205 -8.850 -10.825 1.00 53.53 H new ATOM 0 HB3 ARG A 148 26.275 -10.205 -10.527 1.00 53.53 H new ATOM 0 HG2 ARG A 148 28.097 -8.818 -11.731 1.00 30.33 H new ATOM 0 HG3 ARG A 148 27.001 -7.459 -11.578 1.00 30.33 H new ATOM 0 HD2 ARG A 148 26.984 -7.648 -9.154 1.00 71.20 H new ATOM 0 HD3 ARG A 148 27.859 -9.165 -9.211 1.00 71.20 H new ATOM 0 HE ARG A 148 29.506 -7.297 -10.521 1.00 34.12 H new ATOM 0 HH11 ARG A 148 28.050 -7.734 -7.334 1.00 63.41 H new ATOM 0 HH12 ARG A 148 29.353 -6.887 -6.495 1.00 63.41 H new ATOM 0 HH21 ARG A 148 31.176 -6.211 -9.436 1.00 21.15 H new ATOM 0 HH22 ARG A 148 31.117 -6.028 -7.680 1.00 21.15 H new ATOM 525 N CYS A 149 25.611 -12.298 -12.915 1.00 13.23 N ATOM 526 CA CYS A 149 24.949 -13.596 -12.880 1.00 70.43 C ATOM 527 C CYS A 149 25.410 -14.410 -11.674 1.00 61.05 C ATOM 528 O CYS A 149 26.568 -14.329 -11.263 1.00 35.11 O ATOM 529 CB CYS A 149 25.231 -14.370 -14.170 1.00 21.24 C ATOM 530 SG CYS A 149 24.069 -15.737 -14.485 1.00 63.45 S ATOM 0 H CYS A 149 26.566 -12.321 -13.272 1.00 13.23 H new ATOM 0 HA CYS A 149 23.876 -13.427 -12.793 1.00 70.43 H new ATOM 0 HB2 CYS A 149 25.198 -13.678 -15.011 1.00 21.24 H new ATOM 0 HB3 CYS A 149 26.244 -14.771 -14.127 1.00 21.24 H new ATOM 535 N VAL A 150 24.496 -15.195 -11.112 1.00 50.44 N ATOM 536 CA VAL A 150 24.808 -16.024 -9.955 1.00 22.41 C ATOM 537 C VAL A 150 23.950 -17.284 -9.934 1.00 72.13 C ATOM 538 O VAL A 150 22.808 -17.295 -10.394 1.00 14.43 O ATOM 539 CB VAL A 150 24.600 -15.253 -8.638 1.00 54.44 C ATOM 540 CG1 VAL A 150 25.532 -14.053 -8.569 1.00 1.01 C ATOM 541 CG2 VAL A 150 23.148 -14.819 -8.500 1.00 1.21 C ATOM 0 H VAL A 150 23.533 -15.274 -11.440 1.00 50.44 H new ATOM 0 HA VAL A 150 25.858 -16.304 -10.041 1.00 22.41 H new ATOM 0 HB VAL A 150 24.839 -15.916 -7.807 1.00 54.44 H new ATOM 0 HG11 VAL A 150 25.371 -13.520 -7.632 1.00 1.01 H new ATOM 0 HG12 VAL A 150 26.567 -14.392 -8.620 1.00 1.01 H new ATOM 0 HG13 VAL A 150 25.328 -13.385 -9.406 1.00 1.01 H new ATOM 0 HG21 VAL A 150 23.018 -14.276 -7.564 1.00 1.21 H new ATOM 0 HG22 VAL A 150 22.881 -14.172 -9.335 1.00 1.21 H new ATOM 0 HG23 VAL A 150 22.504 -15.698 -8.501 1.00 1.21 H new ATOM 551 N PRO A 151 24.511 -18.373 -9.388 1.00 74.33 N ATOM 552 CA PRO A 151 23.814 -19.659 -9.293 1.00 74.43 C ATOM 553 C PRO A 151 22.668 -19.625 -8.288 1.00 30.05 C ATOM 554 O PRO A 151 22.860 -19.902 -7.103 1.00 53.13 O ATOM 555 CB PRO A 151 24.908 -20.622 -8.825 1.00 33.12 C ATOM 556 CG PRO A 151 25.892 -19.759 -8.113 1.00 71.50 C ATOM 557 CD PRO A 151 25.868 -18.433 -8.821 1.00 62.10 C ATOM 0 HA PRO A 151 23.353 -19.943 -10.239 1.00 74.43 H new ATOM 0 HB2 PRO A 151 24.504 -21.390 -8.165 1.00 33.12 H new ATOM 0 HB3 PRO A 151 25.370 -21.137 -9.668 1.00 33.12 H new ATOM 0 HG2 PRO A 151 25.623 -19.646 -7.063 1.00 71.50 H new ATOM 0 HG3 PRO A 151 26.889 -20.199 -8.141 1.00 71.50 H new ATOM 0 HD2 PRO A 151 26.053 -17.607 -8.134 1.00 62.10 H new ATOM 0 HD3 PRO A 151 26.631 -18.378 -9.598 1.00 62.10 H new ATOM 565 N PHE A 152 21.476 -19.284 -8.767 1.00 2.14 N ATOM 566 CA PHE A 152 20.299 -19.213 -7.909 1.00 2.13 C ATOM 567 C PHE A 152 20.130 -20.502 -7.110 1.00 1.24 C ATOM 568 O PHE A 152 19.609 -20.490 -5.995 1.00 44.31 O ATOM 569 CB PHE A 152 19.046 -18.951 -8.747 1.00 21.02 C ATOM 570 CG PHE A 152 17.800 -18.782 -7.925 1.00 61.03 C ATOM 571 CD1 PHE A 152 17.108 -19.887 -7.457 1.00 73.13 C ATOM 572 CD2 PHE A 152 17.321 -17.518 -7.622 1.00 12.14 C ATOM 573 CE1 PHE A 152 15.961 -19.735 -6.701 1.00 31.22 C ATOM 574 CE2 PHE A 152 16.175 -17.360 -6.865 1.00 50.33 C ATOM 575 CZ PHE A 152 15.493 -18.470 -6.405 1.00 45.43 C ATOM 0 H PHE A 152 21.300 -19.053 -9.745 1.00 2.14 H new ATOM 0 HA PHE A 152 20.439 -18.389 -7.210 1.00 2.13 H new ATOM 0 HB2 PHE A 152 19.201 -18.054 -9.347 1.00 21.02 H new ATOM 0 HB3 PHE A 152 18.904 -19.779 -9.442 1.00 21.02 H new ATOM 0 HD1 PHE A 152 17.469 -20.879 -7.686 1.00 73.13 H new ATOM 0 HD2 PHE A 152 17.848 -16.647 -7.981 1.00 12.14 H new ATOM 0 HE1 PHE A 152 15.431 -20.605 -6.342 1.00 31.22 H new ATOM 0 HE2 PHE A 152 15.813 -16.369 -6.633 1.00 50.33 H new ATOM 0 HZ PHE A 152 14.596 -18.349 -5.815 1.00 45.43 H new ATOM 585 N ASN A 153 20.574 -21.613 -7.689 1.00 12.31 N ATOM 586 CA ASN A 153 20.471 -22.911 -7.032 1.00 50.31 C ATOM 587 C ASN A 153 21.711 -23.757 -7.303 1.00 21.22 C ATOM 588 O ASN A 153 22.724 -23.254 -7.788 1.00 54.13 O ATOM 589 CB ASN A 153 19.220 -23.650 -7.511 1.00 63.45 C ATOM 590 CG ASN A 153 18.499 -24.359 -6.381 1.00 62.44 C ATOM 591 OD1 ASN A 153 19.083 -24.632 -5.332 1.00 14.50 O ATOM 592 ND2 ASN A 153 17.223 -24.662 -6.592 1.00 25.33 N ATOM 0 H ASN A 153 21.008 -21.640 -8.611 1.00 12.31 H new ATOM 0 HA ASN A 153 20.396 -22.742 -5.958 1.00 50.31 H new ATOM 0 HB2 ASN A 153 18.541 -22.940 -7.983 1.00 63.45 H new ATOM 0 HB3 ASN A 153 19.500 -24.378 -8.273 1.00 63.45 H new ATOM 0 HD21 ASN A 153 16.686 -25.140 -5.869 1.00 25.33 H new ATOM 0 HD22 ASN A 153 16.780 -24.416 -7.477 1.00 25.33 H new ATOM 599 N GLU A 154 21.623 -25.045 -6.986 1.00 33.14 N ATOM 600 CA GLU A 154 22.738 -25.961 -7.195 1.00 1.13 C ATOM 601 C GLU A 154 22.633 -26.645 -8.555 1.00 12.13 C ATOM 602 O GLU A 154 23.598 -27.234 -9.041 1.00 73.24 O ATOM 603 CB GLU A 154 22.778 -27.013 -6.084 1.00 42.22 C ATOM 604 CG GLU A 154 23.117 -26.442 -4.717 1.00 72.23 C ATOM 605 CD GLU A 154 21.882 -26.099 -3.906 1.00 64.12 C ATOM 606 OE1 GLU A 154 20.963 -26.942 -3.841 1.00 50.11 O ATOM 607 OE2 GLU A 154 21.835 -24.989 -3.337 1.00 44.42 O ATOM 0 H GLU A 154 20.791 -25.477 -6.584 1.00 33.14 H new ATOM 0 HA GLU A 154 23.661 -25.381 -7.170 1.00 1.13 H new ATOM 0 HB2 GLU A 154 21.809 -27.510 -6.031 1.00 42.22 H new ATOM 0 HB3 GLU A 154 23.513 -27.775 -6.343 1.00 42.22 H new ATOM 0 HG2 GLU A 154 23.721 -27.163 -4.166 1.00 72.23 H new ATOM 0 HG3 GLU A 154 23.725 -25.546 -4.842 1.00 72.23 H new ATOM 614 N SER A 155 21.454 -26.562 -9.162 1.00 75.34 N ATOM 615 CA SER A 155 21.220 -27.177 -10.464 1.00 54.40 C ATOM 616 C SER A 155 20.680 -26.153 -11.459 1.00 22.23 C ATOM 617 O SER A 155 19.949 -26.498 -12.387 1.00 64.24 O ATOM 618 CB SER A 155 20.238 -28.343 -10.332 1.00 43.12 C ATOM 619 OG SER A 155 20.833 -29.436 -9.655 1.00 25.12 O ATOM 0 H SER A 155 20.646 -26.075 -8.774 1.00 75.34 H new ATOM 0 HA SER A 155 22.172 -27.554 -10.837 1.00 54.40 H new ATOM 0 HB2 SER A 155 19.350 -28.016 -9.791 1.00 43.12 H new ATOM 0 HB3 SER A 155 19.909 -28.660 -11.322 1.00 43.12 H new ATOM 0 HG SER A 155 20.185 -30.167 -9.582 1.00 25.12 H new ATOM 625 N VAL A 156 21.046 -24.891 -11.257 1.00 21.31 N ATOM 626 CA VAL A 156 20.601 -23.816 -12.135 1.00 72.34 C ATOM 627 C VAL A 156 21.234 -22.487 -11.742 1.00 2.33 C ATOM 628 O VAL A 156 21.726 -22.327 -10.624 1.00 64.24 O ATOM 629 CB VAL A 156 19.068 -23.670 -12.110 1.00 53.42 C ATOM 630 CG1 VAL A 156 18.618 -22.981 -10.831 1.00 20.14 C ATOM 631 CG2 VAL A 156 18.586 -22.905 -13.334 1.00 71.42 C ATOM 0 H VAL A 156 21.650 -24.588 -10.493 1.00 21.31 H new ATOM 0 HA VAL A 156 20.917 -24.080 -13.144 1.00 72.34 H new ATOM 0 HB VAL A 156 18.625 -24.666 -12.134 1.00 53.42 H new ATOM 0 HG11 VAL A 156 17.532 -22.887 -10.831 1.00 20.14 H new ATOM 0 HG12 VAL A 156 18.931 -23.572 -9.970 1.00 20.14 H new ATOM 0 HG13 VAL A 156 19.068 -21.990 -10.774 1.00 20.14 H new ATOM 0 HG21 VAL A 156 17.501 -22.811 -13.300 1.00 71.42 H new ATOM 0 HG22 VAL A 156 19.036 -21.912 -13.343 1.00 71.42 H new ATOM 0 HG23 VAL A 156 18.876 -23.443 -14.237 1.00 71.42 H new ATOM 641 N LYS A 157 21.218 -21.533 -12.667 1.00 22.12 N ATOM 642 CA LYS A 157 21.789 -20.215 -12.417 1.00 42.14 C ATOM 643 C LYS A 157 20.962 -19.127 -13.094 1.00 14.41 C ATOM 644 O LYS A 157 20.470 -19.308 -14.208 1.00 73.02 O ATOM 645 CB LYS A 157 23.234 -20.159 -12.920 1.00 54.41 C ATOM 646 CG LYS A 157 23.406 -20.682 -14.336 1.00 12.15 C ATOM 647 CD LYS A 157 24.197 -21.979 -14.358 1.00 45.31 C ATOM 648 CE LYS A 157 24.900 -22.179 -15.692 1.00 25.41 C ATOM 649 NZ LYS A 157 23.931 -22.328 -16.813 1.00 24.12 N ATOM 0 H LYS A 157 20.815 -21.648 -13.597 1.00 22.12 H new ATOM 0 HA LYS A 157 21.778 -20.039 -11.341 1.00 42.14 H new ATOM 0 HB2 LYS A 157 23.585 -19.128 -12.877 1.00 54.41 H new ATOM 0 HB3 LYS A 157 23.867 -20.739 -12.248 1.00 54.41 H new ATOM 0 HG2 LYS A 157 22.427 -20.844 -14.787 1.00 12.15 H new ATOM 0 HG3 LYS A 157 23.916 -19.933 -14.942 1.00 12.15 H new ATOM 0 HD2 LYS A 157 24.934 -21.971 -13.555 1.00 45.31 H new ATOM 0 HD3 LYS A 157 23.528 -22.818 -14.169 1.00 45.31 H new ATOM 0 HE2 LYS A 157 25.555 -21.330 -15.888 1.00 25.41 H new ATOM 0 HE3 LYS A 157 25.533 -23.064 -15.639 1.00 25.41 H new ATOM 0 HZ1 LYS A 157 24.449 -22.496 -17.699 1.00 24.12 H new ATOM 0 HZ2 LYS A 157 23.301 -23.133 -16.622 1.00 24.12 H new ATOM 0 HZ3 LYS A 157 23.366 -21.459 -16.901 1.00 24.12 H new ATOM 663 N THR A 158 20.812 -17.994 -12.414 1.00 24.02 N ATOM 664 CA THR A 158 20.045 -16.877 -12.949 1.00 50.41 C ATOM 665 C THR A 158 20.831 -15.574 -12.854 1.00 61.10 C ATOM 666 O THR A 158 21.931 -15.540 -12.301 1.00 41.35 O ATOM 667 CB THR A 158 18.705 -16.709 -12.208 1.00 72.43 C ATOM 668 OG1 THR A 158 18.940 -16.294 -10.858 1.00 71.02 O ATOM 669 CG2 THR A 158 17.917 -18.011 -12.214 1.00 3.10 C ATOM 0 H THR A 158 21.212 -17.827 -11.491 1.00 24.02 H new ATOM 0 HA THR A 158 19.847 -17.104 -13.997 1.00 50.41 H new ATOM 0 HB THR A 158 18.122 -15.947 -12.725 1.00 72.43 H new ATOM 0 HG1 THR A 158 18.088 -16.251 -10.376 1.00 71.02 H new ATOM 0 HG21 THR A 158 16.975 -17.868 -11.685 1.00 3.10 H new ATOM 0 HG22 THR A 158 17.714 -18.309 -13.243 1.00 3.10 H new ATOM 0 HG23 THR A 158 18.497 -18.790 -11.718 1.00 3.10 H new ATOM 677 N CYS A 159 20.260 -14.503 -13.395 1.00 64.14 N ATOM 678 CA CYS A 159 20.907 -13.197 -13.372 1.00 5.13 C ATOM 679 C CYS A 159 20.151 -12.232 -12.464 1.00 0.44 C ATOM 680 O CYS A 159 18.926 -12.290 -12.364 1.00 0.43 O ATOM 681 CB CYS A 159 20.994 -12.622 -14.787 1.00 11.42 C ATOM 682 SG CYS A 159 22.687 -12.543 -15.455 1.00 54.32 S ATOM 0 H CYS A 159 19.350 -14.514 -13.855 1.00 64.14 H new ATOM 0 HA CYS A 159 21.915 -13.325 -12.977 1.00 5.13 H new ATOM 0 HB2 CYS A 159 20.380 -13.229 -15.453 1.00 11.42 H new ATOM 0 HB3 CYS A 159 20.568 -11.619 -14.787 1.00 11.42 H new ATOM 687 N GLU A 160 20.891 -11.345 -11.805 1.00 33.25 N ATOM 688 CA GLU A 160 20.289 -10.368 -10.905 1.00 24.04 C ATOM 689 C GLU A 160 19.560 -9.282 -11.690 1.00 12.11 C ATOM 690 O GLU A 160 20.037 -8.824 -12.728 1.00 2.40 O ATOM 691 CB GLU A 160 21.360 -9.736 -10.013 1.00 44.12 C ATOM 692 CG GLU A 160 20.808 -8.729 -9.019 1.00 12.15 C ATOM 693 CD GLU A 160 21.864 -7.763 -8.518 1.00 43.03 C ATOM 694 OE1 GLU A 160 23.061 -8.005 -8.779 1.00 22.05 O ATOM 695 OE2 GLU A 160 21.493 -6.764 -7.866 1.00 61.44 O ATOM 0 H GLU A 160 21.907 -11.283 -11.877 1.00 33.25 H new ATOM 0 HA GLU A 160 19.564 -10.888 -10.278 1.00 24.04 H new ATOM 0 HB2 GLU A 160 21.879 -10.525 -9.468 1.00 44.12 H new ATOM 0 HB3 GLU A 160 22.101 -9.243 -10.643 1.00 44.12 H new ATOM 0 HG2 GLU A 160 20.000 -8.167 -9.488 1.00 12.15 H new ATOM 0 HG3 GLU A 160 20.376 -9.261 -8.171 1.00 12.15 H new ATOM 702 N VAL A 161 18.399 -8.875 -11.187 1.00 13.24 N ATOM 703 CA VAL A 161 17.602 -7.843 -11.839 1.00 44.44 C ATOM 704 C VAL A 161 16.856 -6.995 -10.816 1.00 0.43 C ATOM 705 O VAL A 161 16.865 -7.294 -9.622 1.00 1.40 O ATOM 706 CB VAL A 161 16.586 -8.455 -12.821 1.00 40.04 C ATOM 707 CG1 VAL A 161 17.290 -9.349 -13.831 1.00 3.04 C ATOM 708 CG2 VAL A 161 15.516 -9.229 -12.066 1.00 62.13 C ATOM 0 H VAL A 161 17.989 -9.245 -10.329 1.00 13.24 H new ATOM 0 HA VAL A 161 18.296 -7.211 -12.393 1.00 44.44 H new ATOM 0 HB VAL A 161 16.100 -7.645 -13.366 1.00 40.04 H new ATOM 0 HG11 VAL A 161 16.556 -9.772 -14.516 1.00 3.04 H new ATOM 0 HG12 VAL A 161 18.015 -8.761 -14.394 1.00 3.04 H new ATOM 0 HG13 VAL A 161 17.804 -10.155 -13.307 1.00 3.04 H new ATOM 0 HG21 VAL A 161 14.806 -9.655 -12.775 1.00 62.13 H new ATOM 0 HG22 VAL A 161 15.983 -10.031 -11.494 1.00 62.13 H new ATOM 0 HG23 VAL A 161 14.991 -8.557 -11.387 1.00 62.13 H new ATOM 718 N ALA A 162 16.210 -5.935 -11.291 1.00 73.33 N ATOM 719 CA ALA A 162 15.456 -5.045 -10.418 1.00 14.22 C ATOM 720 C ALA A 162 13.958 -5.151 -10.686 1.00 22.30 C ATOM 721 O ALA A 162 13.469 -4.695 -11.719 1.00 62.31 O ATOM 722 CB ALA A 162 15.925 -3.609 -10.596 1.00 51.51 C ATOM 0 H ALA A 162 16.194 -5.672 -12.276 1.00 73.33 H new ATOM 0 HA ALA A 162 15.636 -5.350 -9.387 1.00 14.22 H new ATOM 0 HB1 ALA A 162 15.353 -2.955 -9.938 1.00 51.51 H new ATOM 0 HB2 ALA A 162 16.984 -3.539 -10.347 1.00 51.51 H new ATOM 0 HB3 ALA A 162 15.775 -3.303 -11.631 1.00 51.51 H new ATOM 728 N ALA A 163 13.236 -5.757 -9.749 1.00 54.23 N ATOM 729 CA ALA A 163 11.794 -5.922 -9.884 1.00 53.35 C ATOM 730 C ALA A 163 11.118 -5.983 -8.519 1.00 13.21 C ATOM 731 O ALA A 163 11.758 -5.773 -7.489 1.00 43.50 O ATOM 732 CB ALA A 163 11.479 -7.175 -10.688 1.00 12.20 C ATOM 0 H ALA A 163 13.626 -6.142 -8.889 1.00 54.23 H new ATOM 0 HA ALA A 163 11.402 -5.055 -10.415 1.00 53.35 H new ATOM 0 HB1 ALA A 163 10.399 -7.286 -10.781 1.00 12.20 H new ATOM 0 HB2 ALA A 163 11.922 -7.091 -11.680 1.00 12.20 H new ATOM 0 HB3 ALA A 163 11.891 -8.047 -10.179 1.00 12.20 H new ATOM 738 N TRP A 164 9.821 -6.271 -8.518 1.00 43.04 N ATOM 739 CA TRP A 164 9.059 -6.359 -7.278 1.00 55.23 C ATOM 740 C TRP A 164 9.323 -7.682 -6.569 1.00 61.20 C ATOM 741 O TRP A 164 8.829 -8.731 -6.985 1.00 43.33 O ATOM 742 CB TRP A 164 7.563 -6.209 -7.563 1.00 43.25 C ATOM 743 CG TRP A 164 7.241 -5.043 -8.448 1.00 44.43 C ATOM 744 CD1 TRP A 164 7.202 -5.036 -9.813 1.00 52.14 C ATOM 745 CD2 TRP A 164 6.916 -3.713 -8.029 1.00 1.11 C ATOM 746 NE1 TRP A 164 6.871 -3.782 -10.268 1.00 5.01 N ATOM 747 CE2 TRP A 164 6.690 -2.953 -9.193 1.00 42.50 C ATOM 748 CE3 TRP A 164 6.792 -3.091 -6.784 1.00 35.03 C ATOM 749 CZ2 TRP A 164 6.349 -1.604 -9.146 1.00 14.40 C ATOM 750 CZ3 TRP A 164 6.453 -1.752 -6.739 1.00 32.13 C ATOM 751 CH2 TRP A 164 6.234 -1.020 -7.913 1.00 73.34 C ATOM 0 H TRP A 164 9.276 -6.447 -9.362 1.00 43.04 H new ATOM 0 HA TRP A 164 9.381 -5.548 -6.625 1.00 55.23 H new ATOM 0 HB2 TRP A 164 7.196 -7.123 -8.030 1.00 43.25 H new ATOM 0 HB3 TRP A 164 7.030 -6.097 -6.619 1.00 43.25 H new ATOM 0 HD1 TRP A 164 7.402 -5.890 -10.443 1.00 52.14 H new ATOM 0 HE1 TRP A 164 6.776 -3.513 -11.247 1.00 5.01 H new ATOM 0 HE3 TRP A 164 6.958 -3.647 -5.873 1.00 35.03 H new ATOM 0 HZ2 TRP A 164 6.181 -1.038 -10.050 1.00 14.40 H new ATOM 0 HZ3 TRP A 164 6.355 -1.261 -5.782 1.00 32.13 H new ATOM 0 HH2 TRP A 164 5.969 0.025 -7.844 1.00 73.34 H new ATOM 762 N CYS A 165 10.105 -7.628 -5.496 1.00 12.52 N ATOM 763 CA CYS A 165 10.435 -8.822 -4.728 1.00 64.13 C ATOM 764 C CYS A 165 10.821 -8.460 -3.297 1.00 12.40 C ATOM 765 O CYS A 165 11.292 -7.358 -3.015 1.00 10.34 O ATOM 766 CB CYS A 165 11.580 -9.584 -5.399 1.00 21.10 C ATOM 767 SG CYS A 165 13.204 -8.774 -5.244 1.00 2.31 S ATOM 0 H CYS A 165 10.522 -6.769 -5.139 1.00 12.52 H new ATOM 0 HA CYS A 165 9.551 -9.459 -4.697 1.00 64.13 H new ATOM 0 HB2 CYS A 165 11.641 -10.582 -4.965 1.00 21.10 H new ATOM 0 HB3 CYS A 165 11.348 -9.709 -6.457 1.00 21.10 H new