USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 137:sc= -0.0878 (180deg=-1.64) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -165:sc= 1.33 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HE2:sc= 0.797 K(o=2.1,f=-5.4) USER MOD Set 3.1: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 137 ASN : amide:sc= 0.152 K(o=0.15,f=-2.6) USER MOD Set 4.1: A 60 ASN : amide:sc= -0.141 K(o=-0.28,f=-1.9) USER MOD Set 4.2: A 62 THR OG1 : rot -160:sc= -0.139 USER MOD Set 5.1: A 5 THR OG1 : rot -60:sc= 0.212 USER MOD Set 5.2: A 8 GLN : amide:sc= 0.0662 K(o=0.28,f=1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 75:sc= 0.957 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -42:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0854 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 1.16 (180deg=1.06) USER MOD Single : A 34 THR OG1 : rot 70:sc= 0.302 USER MOD Single : A 36 MET CE :methyl -164:sc= 0 (180deg=-0.476) USER MOD Single : A 38 SER OG : rot 89:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot -57:sc= 1.17 USER MOD Single : A 49 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.4!) USER MOD Single : A 51 MET CE :methyl 143:sc= -0.516 (180deg=-1.14) USER MOD Single : A 53 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.165 USER MOD Single : A 71 MET CE :methyl -131:sc= -0.948 (180deg=-1.27) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.434 K(o=0.43,f=-4.4!) USER MOD Single : A 101 SER OG : rot -78:sc= 1.11 USER MOD Single : A 110 THR OG1 : rot -59:sc= 0.482 USER MOD Single : A 111 ASN : amide:sc=-0.00275 X(o=-0.0028,f=-0.072) USER MOD Single : A 115 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0395) USER MOD Single : A 117 THR OG1 : rot -64:sc= 1.35 USER MOD Single : A 135 GLN : amide:sc= -0.181 K(o=-0.18,f=-2.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 MET CE :methyl 161:sc= -0.118 (180deg=-0.57) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.936 17.908 0.459 1.00 0.00 N ATOM 59 CA THR A 5 -14.944 18.794 -0.034 1.00 0.00 C ATOM 60 C THR A 5 -16.220 18.053 -0.241 1.00 0.00 C ATOM 61 O THR A 5 -16.204 16.823 -0.201 1.00 0.00 O ATOM 62 CB THR A 5 -14.644 19.522 -1.311 1.00 0.00 C ATOM 63 OG1 THR A 5 -14.340 18.673 -2.408 1.00 0.00 O ATOM 64 CG2 THR A 5 -13.435 20.426 -1.016 1.00 0.00 C ATOM 0 HA THR A 5 -15.003 19.555 0.744 1.00 0.00 H new ATOM 0 HB THR A 5 -15.535 20.073 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.555 18.128 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.170 20.984 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.688 21.123 -0.218 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.589 19.812 -0.707 1.00 0.00 H new ATOM 72 N GLU A 6 -17.333 18.767 -0.484 1.00 0.00 N ATOM 73 CA GLU A 6 -18.571 18.134 -0.816 1.00 0.00 C ATOM 74 C GLU A 6 -18.568 17.471 -2.151 1.00 0.00 C ATOM 75 O GLU A 6 -19.239 16.458 -2.339 1.00 0.00 O ATOM 76 CB GLU A 6 -19.712 19.157 -0.683 1.00 0.00 C ATOM 77 CG GLU A 6 -20.068 19.466 0.773 1.00 0.00 C ATOM 78 CD GLU A 6 -19.085 20.358 1.518 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.749 21.470 1.029 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.442 19.857 2.478 1.00 0.00 O ATOM 0 H GLU A 6 -17.376 19.786 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.726 17.320 -0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -19.425 20.081 -1.186 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -20.596 18.777 -1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -21.049 19.940 0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.157 18.524 1.314 1.00 0.00 H new ATOM 87 N GLU A 7 -17.873 18.032 -3.157 1.00 0.00 N ATOM 88 CA GLU A 7 -17.669 17.389 -4.417 1.00 0.00 C ATOM 89 C GLU A 7 -16.885 16.125 -4.324 1.00 0.00 C ATOM 90 O GLU A 7 -17.346 15.149 -4.913 1.00 0.00 O ATOM 91 CB GLU A 7 -16.988 18.356 -5.400 1.00 0.00 C ATOM 92 CG GLU A 7 -17.356 17.983 -6.837 1.00 0.00 C ATOM 93 CD GLU A 7 -16.565 18.904 -7.755 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.885 20.123 -7.749 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.605 18.481 -8.453 1.00 0.00 O ATOM 0 H GLU A 7 -17.443 18.955 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.658 17.113 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.298 19.380 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.906 18.318 -5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.115 16.939 -7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -18.427 18.100 -7.003 1.00 0.00 H new ATOM 102 N GLN A 8 -15.879 16.034 -3.436 1.00 0.00 N ATOM 103 CA GLN A 8 -15.203 14.809 -3.140 1.00 0.00 C ATOM 104 C GLN A 8 -16.066 13.791 -2.477 1.00 0.00 C ATOM 105 O GLN A 8 -16.007 12.602 -2.786 1.00 0.00 O ATOM 106 CB GLN A 8 -13.985 14.986 -2.217 1.00 0.00 C ATOM 107 CG GLN A 8 -12.806 15.574 -2.994 1.00 0.00 C ATOM 108 CD GLN A 8 -11.699 16.172 -2.139 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.839 17.075 -1.315 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.433 15.749 -2.400 1.00 0.00 N ATOM 0 H GLN A 8 -15.526 16.833 -2.910 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.896 14.469 -4.129 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.244 15.642 -1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.703 14.024 -1.789 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.377 14.791 -3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.183 16.347 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.274 15.002 -3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.643 16.178 -1.919 1.00 0.00 H new ATOM 119 N ILE A 9 -16.903 14.158 -1.491 1.00 0.00 N ATOM 120 CA ILE A 9 -17.886 13.308 -0.894 1.00 0.00 C ATOM 121 C ILE A 9 -18.873 12.760 -1.868 1.00 0.00 C ATOM 122 O ILE A 9 -19.234 11.589 -1.973 1.00 0.00 O ATOM 123 CB ILE A 9 -18.554 13.987 0.264 1.00 0.00 C ATOM 124 CG1 ILE A 9 -18.196 13.289 1.587 1.00 0.00 C ATOM 125 CG2 ILE A 9 -20.085 14.132 0.264 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.846 13.525 2.263 1.00 0.00 C ATOM 0 H ILE A 9 -16.894 15.096 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.349 12.439 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.159 14.997 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -18.966 13.560 2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.284 12.216 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.402 14.645 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.396 14.710 -0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.544 13.144 0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.792 12.941 3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.044 13.219 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.737 14.584 2.499 1.00 0.00 H new ATOM 138 N ALA A 10 -19.400 13.623 -2.754 1.00 0.00 N ATOM 139 CA ALA A 10 -20.175 13.198 -3.878 1.00 0.00 C ATOM 140 C ALA A 10 -19.492 12.362 -4.906 1.00 0.00 C ATOM 141 O ALA A 10 -20.102 11.395 -5.358 1.00 0.00 O ATOM 142 CB ALA A 10 -20.941 14.351 -4.548 1.00 0.00 C ATOM 0 H ALA A 10 -19.286 14.635 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.879 12.516 -3.402 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.510 13.966 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -21.623 14.802 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -20.234 15.103 -4.898 1.00 0.00 H new ATOM 148 N GLU A 11 -18.168 12.555 -5.041 1.00 0.00 N ATOM 149 CA GLU A 11 -17.386 11.649 -5.824 1.00 0.00 C ATOM 150 C GLU A 11 -17.265 10.232 -5.378 1.00 0.00 C ATOM 151 O GLU A 11 -17.283 9.364 -6.248 1.00 0.00 O ATOM 152 CB GLU A 11 -15.972 12.181 -6.108 1.00 0.00 C ATOM 153 CG GLU A 11 -15.071 11.560 -7.178 1.00 0.00 C ATOM 154 CD GLU A 11 -15.705 11.447 -8.557 1.00 0.00 C ATOM 155 OE1 GLU A 11 -16.238 12.499 -9.001 1.00 0.00 O ATOM 156 OE2 GLU A 11 -15.631 10.338 -9.150 1.00 0.00 O ATOM 0 H GLU A 11 -17.647 13.323 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.002 11.610 -6.722 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.078 13.236 -6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.423 12.132 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.162 12.156 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.771 10.565 -6.848 1.00 0.00 H new ATOM 163 N PHE A 12 -17.091 9.984 -4.067 1.00 0.00 N ATOM 164 CA PHE A 12 -17.131 8.627 -3.618 1.00 0.00 C ATOM 165 C PHE A 12 -18.500 8.044 -3.697 1.00 0.00 C ATOM 166 O PHE A 12 -18.694 6.830 -3.659 1.00 0.00 O ATOM 167 CB PHE A 12 -16.775 8.699 -2.124 1.00 0.00 C ATOM 168 CG PHE A 12 -15.306 8.861 -1.934 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.387 7.964 -2.424 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.742 9.938 -1.291 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.019 8.103 -2.378 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.389 10.169 -1.209 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.550 9.272 -1.827 1.00 0.00 C ATOM 0 H PHE A 12 -16.930 10.687 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.465 8.017 -4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.300 9.535 -1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.113 7.793 -1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.774 7.068 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.405 10.649 -0.820 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.353 7.339 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.999 11.025 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.494 9.492 -1.881 1.00 0.00 H new ATOM 183 N LYS A 13 -19.554 8.877 -3.625 1.00 0.00 N ATOM 184 CA LYS A 13 -20.929 8.485 -3.608 1.00 0.00 C ATOM 185 C LYS A 13 -21.395 7.986 -4.932 1.00 0.00 C ATOM 186 O LYS A 13 -22.123 6.995 -4.949 1.00 0.00 O ATOM 187 CB LYS A 13 -21.865 9.591 -3.093 1.00 0.00 C ATOM 188 CG LYS A 13 -23.206 9.019 -2.631 1.00 0.00 C ATOM 189 CD LYS A 13 -24.193 10.075 -2.131 1.00 0.00 C ATOM 190 CE LYS A 13 -23.792 10.802 -0.846 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.807 11.825 -0.509 1.00 0.00 N ATOM 0 H LYS A 13 -19.437 9.889 -3.576 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.979 7.659 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.388 10.117 -2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.033 10.324 -3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.661 8.474 -3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.027 8.298 -1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.333 10.816 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.159 9.596 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.697 10.088 -0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.817 11.272 -0.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.529 12.315 0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.877 12.514 -1.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.730 11.366 -0.370 1.00 0.00 H new ATOM 205 N GLU A 14 -20.901 8.618 -6.012 1.00 0.00 N ATOM 206 CA GLU A 14 -21.058 8.051 -7.315 1.00 0.00 C ATOM 207 C GLU A 14 -20.399 6.722 -7.452 1.00 0.00 C ATOM 208 O GLU A 14 -21.032 5.741 -7.840 1.00 0.00 O ATOM 209 CB GLU A 14 -20.374 8.955 -8.354 1.00 0.00 C ATOM 210 CG GLU A 14 -21.300 10.121 -8.707 1.00 0.00 C ATOM 211 CD GLU A 14 -22.729 9.741 -9.067 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.929 8.655 -9.673 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.670 10.569 -8.941 1.00 0.00 O ATOM 0 H GLU A 14 -20.401 9.507 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.132 7.951 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.431 9.333 -7.958 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.137 8.382 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.328 10.808 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.866 10.665 -9.546 1.00 0.00 H new ATOM 220 N ALA A 15 -19.182 6.532 -6.911 1.00 0.00 N ATOM 221 CA ALA A 15 -18.471 5.294 -6.985 1.00 0.00 C ATOM 222 C ALA A 15 -19.028 4.234 -6.097 1.00 0.00 C ATOM 223 O ALA A 15 -19.060 3.064 -6.474 1.00 0.00 O ATOM 224 CB ALA A 15 -16.998 5.633 -6.701 1.00 0.00 C ATOM 0 H ALA A 15 -18.678 7.262 -6.407 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.574 4.848 -7.974 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.400 4.722 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.637 6.340 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.912 6.078 -5.710 1.00 0.00 H new ATOM 230 N PHE A 16 -19.560 4.534 -4.899 1.00 0.00 N ATOM 231 CA PHE A 16 -20.437 3.746 -4.089 1.00 0.00 C ATOM 232 C PHE A 16 -21.565 3.171 -4.875 1.00 0.00 C ATOM 233 O PHE A 16 -21.913 1.991 -4.870 1.00 0.00 O ATOM 234 CB PHE A 16 -20.949 4.622 -2.934 1.00 0.00 C ATOM 235 CG PHE A 16 -21.626 3.818 -1.878 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.927 3.388 -1.988 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.829 3.376 -0.848 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.329 2.389 -1.133 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.263 2.408 0.026 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.554 1.948 -0.086 1.00 0.00 C ATOM 0 H PHE A 16 -19.351 5.427 -4.452 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.884 2.894 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.113 5.166 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.644 5.366 -3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.603 3.816 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.843 3.798 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.294 1.931 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.603 2.016 0.786 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.953 1.252 0.637 1.00 0.00 H new ATOM 250 N SER A 17 -22.371 4.086 -5.443 1.00 0.00 N ATOM 251 CA SER A 17 -23.540 3.786 -6.210 1.00 0.00 C ATOM 252 C SER A 17 -23.315 3.029 -7.473 1.00 0.00 C ATOM 253 O SER A 17 -24.188 2.340 -8.000 1.00 0.00 O ATOM 254 CB SER A 17 -24.205 5.081 -6.704 1.00 0.00 C ATOM 255 OG SER A 17 -24.635 5.949 -5.665 1.00 0.00 O ATOM 0 H SER A 17 -22.197 5.088 -5.363 1.00 0.00 H new ATOM 0 HA SER A 17 -24.129 3.188 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.502 5.617 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.063 4.822 -7.324 1.00 0.00 H new ATOM 0 HG SER A 17 -23.858 6.401 -5.274 1.00 0.00 H new ATOM 261 N LEU A 18 -22.063 3.036 -7.966 1.00 0.00 N ATOM 262 CA LEU A 18 -21.740 2.210 -9.088 1.00 0.00 C ATOM 263 C LEU A 18 -21.662 0.771 -8.709 1.00 0.00 C ATOM 264 O LEU A 18 -21.852 -0.142 -9.512 1.00 0.00 O ATOM 265 CB LEU A 18 -20.389 2.510 -9.759 1.00 0.00 C ATOM 266 CG LEU A 18 -20.229 3.790 -10.595 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.762 4.073 -10.960 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.136 3.778 -11.837 1.00 0.00 C ATOM 0 H LEU A 18 -21.294 3.597 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.551 2.432 -9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.633 2.535 -8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.150 1.665 -10.405 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.556 4.616 -9.964 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.704 4.988 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.177 4.192 -10.048 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.364 3.241 -11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.993 4.700 -12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.881 2.925 -12.466 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.178 3.701 -11.526 1.00 0.00 H new ATOM 280 N PHE A 19 -21.354 0.499 -7.428 1.00 0.00 N ATOM 281 CA PHE A 19 -21.211 -0.791 -6.830 1.00 0.00 C ATOM 282 C PHE A 19 -22.485 -1.327 -6.272 1.00 0.00 C ATOM 283 O PHE A 19 -22.659 -2.538 -6.147 1.00 0.00 O ATOM 284 CB PHE A 19 -20.074 -0.818 -5.794 1.00 0.00 C ATOM 285 CG PHE A 19 -18.767 -0.224 -6.190 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.347 -0.216 -7.500 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.959 0.320 -5.220 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.209 0.426 -7.929 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.766 0.890 -5.597 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.432 0.961 -6.929 1.00 0.00 C ATOM 0 H PHE A 19 -21.192 1.248 -6.755 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.934 -1.467 -7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.421 -0.300 -4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.900 -1.857 -5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.943 -0.742 -8.231 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.256 0.300 -4.182 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.945 0.504 -8.973 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.093 1.281 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.515 1.461 -7.203 1.00 0.00 H new ATOM 300 N ASP A 20 -23.437 -0.486 -5.830 1.00 0.00 N ATOM 301 CA ASP A 20 -24.754 -0.756 -5.344 1.00 0.00 C ATOM 302 C ASP A 20 -25.724 -0.690 -6.473 1.00 0.00 C ATOM 303 O ASP A 20 -26.248 0.329 -6.922 1.00 0.00 O ATOM 304 CB ASP A 20 -25.044 0.250 -4.217 1.00 0.00 C ATOM 305 CG ASP A 20 -26.061 -0.283 -3.218 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.295 -1.517 -3.119 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.572 0.568 -2.442 1.00 0.00 O ATOM 0 H ASP A 20 -23.253 0.517 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.847 -1.760 -4.931 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.116 0.487 -3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.414 1.180 -4.649 1.00 0.00 H new ATOM 312 N LYS A 21 -26.002 -1.861 -7.073 1.00 0.00 N ATOM 313 CA LYS A 21 -26.842 -2.062 -8.213 1.00 0.00 C ATOM 314 C LYS A 21 -28.296 -2.117 -7.895 1.00 0.00 C ATOM 315 O LYS A 21 -29.184 -1.606 -8.576 1.00 0.00 O ATOM 316 CB LYS A 21 -26.265 -3.216 -9.051 1.00 0.00 C ATOM 317 CG LYS A 21 -24.851 -2.993 -9.591 1.00 0.00 C ATOM 318 CD LYS A 21 -24.335 -4.212 -10.359 1.00 0.00 C ATOM 319 CE LYS A 21 -22.833 -3.991 -10.550 1.00 0.00 C ATOM 320 NZ LYS A 21 -22.159 -4.583 -11.727 1.00 0.00 N ATOM 0 H LYS A 21 -25.607 -2.737 -6.732 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.823 -1.178 -8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.264 -4.120 -8.442 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.932 -3.400 -9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.846 -2.122 -10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.177 -2.773 -8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.526 -5.131 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.840 -4.309 -11.320 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.661 -2.915 -10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.330 -4.369 -9.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.148 -4.340 -11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.267 -5.617 -11.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.588 -4.208 -12.597 1.00 0.00 H new ATOM 334 N ASP A 22 -28.644 -2.726 -6.747 1.00 0.00 N ATOM 335 CA ASP A 22 -29.951 -2.556 -6.192 1.00 0.00 C ATOM 336 C ASP A 22 -30.111 -1.141 -5.755 1.00 0.00 C ATOM 337 O ASP A 22 -30.886 -0.371 -6.321 1.00 0.00 O ATOM 338 CB ASP A 22 -30.345 -3.532 -5.071 1.00 0.00 C ATOM 339 CG ASP A 22 -29.116 -4.244 -4.523 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.233 -3.531 -3.975 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.994 -5.496 -4.595 1.00 0.00 O ATOM 0 H ASP A 22 -28.026 -3.331 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.647 -2.804 -6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.846 -2.990 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.056 -4.265 -5.453 1.00 0.00 H new ATOM 346 N GLY A 23 -29.459 -0.665 -4.679 1.00 0.00 N ATOM 347 CA GLY A 23 -29.497 0.719 -4.321 1.00 0.00 C ATOM 348 C GLY A 23 -29.987 0.978 -2.937 1.00 0.00 C ATOM 349 O GLY A 23 -30.686 1.970 -2.736 1.00 0.00 O ATOM 0 H GLY A 23 -28.901 -1.245 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.496 1.137 -4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.138 1.248 -5.026 1.00 0.00 H new ATOM 353 N ASP A 24 -29.606 0.191 -1.915 1.00 0.00 N ATOM 354 CA ASP A 24 -30.106 0.359 -0.586 1.00 0.00 C ATOM 355 C ASP A 24 -29.253 1.146 0.348 1.00 0.00 C ATOM 356 O ASP A 24 -29.671 1.704 1.361 1.00 0.00 O ATOM 357 CB ASP A 24 -30.266 -1.070 -0.040 1.00 0.00 C ATOM 358 CG ASP A 24 -29.075 -2.007 -0.185 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.766 -2.593 -1.257 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.442 -2.266 0.873 1.00 0.00 O ATOM 0 H ASP A 24 -28.940 -0.575 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.025 0.941 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.515 -1.001 1.019 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.120 -1.529 -0.539 1.00 0.00 H new ATOM 365 N GLY A 25 -27.976 1.193 -0.072 1.00 0.00 N ATOM 366 CA GLY A 25 -27.014 1.979 0.636 1.00 0.00 C ATOM 367 C GLY A 25 -26.036 1.127 1.369 1.00 0.00 C ATOM 368 O GLY A 25 -25.142 1.577 2.083 1.00 0.00 O ATOM 0 H GLY A 25 -27.614 0.697 -0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.482 2.622 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.527 2.633 1.341 1.00 0.00 H new ATOM 372 N THR A 26 -26.202 -0.207 1.317 1.00 0.00 N ATOM 373 CA THR A 26 -25.130 -1.044 1.758 1.00 0.00 C ATOM 374 C THR A 26 -24.584 -1.901 0.669 1.00 0.00 C ATOM 375 O THR A 26 -25.258 -2.424 -0.217 1.00 0.00 O ATOM 376 CB THR A 26 -25.481 -1.951 2.900 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.441 -2.947 2.576 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.005 -1.065 4.042 1.00 0.00 C ATOM 0 H THR A 26 -27.038 -0.689 0.986 1.00 0.00 H new ATOM 0 HA THR A 26 -24.383 -0.325 2.095 1.00 0.00 H new ATOM 0 HB THR A 26 -24.584 -2.501 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.148 -2.553 2.023 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.272 -1.690 4.894 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.230 -0.358 4.339 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.885 -0.518 3.704 1.00 0.00 H new ATOM 386 N ILE A 27 -23.281 -2.208 0.803 1.00 0.00 N ATOM 387 CA ILE A 27 -22.642 -3.133 -0.081 1.00 0.00 C ATOM 388 C ILE A 27 -22.255 -4.372 0.651 1.00 0.00 C ATOM 389 O ILE A 27 -21.649 -4.381 1.721 1.00 0.00 O ATOM 390 CB ILE A 27 -21.580 -2.546 -0.962 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.518 -1.587 -0.398 1.00 0.00 C ATOM 392 CG2 ILE A 27 -22.238 -1.843 -2.162 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.395 -1.313 -1.398 1.00 0.00 C ATOM 0 H ILE A 27 -22.671 -1.817 1.521 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.384 -3.427 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 27 -21.001 -3.441 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -20.992 -0.646 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -20.095 -2.011 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -21.466 -1.416 -2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -22.823 -2.566 -2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -22.892 -1.048 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -18.670 -0.631 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.901 -2.250 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.812 -0.863 -2.299 1.00 0.00 H new ATOM 405 N THR A 28 -22.638 -5.569 0.171 1.00 0.00 N ATOM 406 CA THR A 28 -22.395 -6.843 0.772 1.00 0.00 C ATOM 407 C THR A 28 -21.065 -7.451 0.487 1.00 0.00 C ATOM 408 O THR A 28 -20.218 -6.896 -0.211 1.00 0.00 O ATOM 409 CB THR A 28 -23.360 -7.879 0.275 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.420 -7.896 -1.143 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.725 -7.515 0.882 1.00 0.00 C ATOM 0 H THR A 28 -23.157 -5.650 -0.704 1.00 0.00 H new ATOM 0 HA THR A 28 -22.485 -6.610 1.833 1.00 0.00 H new ATOM 0 HB THR A 28 -23.046 -8.879 0.573 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.056 -8.582 -1.435 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.473 -8.237 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.656 -7.532 1.970 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.015 -6.517 0.553 1.00 0.00 H new ATOM 419 N THR A 29 -20.772 -8.659 1.001 1.00 0.00 N ATOM 420 CA THR A 29 -19.689 -9.434 0.483 1.00 0.00 C ATOM 421 C THR A 29 -19.846 -9.823 -0.947 1.00 0.00 C ATOM 422 O THR A 29 -18.927 -9.910 -1.760 1.00 0.00 O ATOM 423 CB THR A 29 -19.503 -10.713 1.245 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.659 -11.405 1.692 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.638 -10.474 2.495 1.00 0.00 C ATOM 0 H THR A 29 -21.281 -9.096 1.769 1.00 0.00 H new ATOM 0 HA THR A 29 -18.830 -8.771 0.587 1.00 0.00 H new ATOM 0 HB THR A 29 -19.043 -11.349 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.390 -12.217 2.170 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.513 -11.412 3.036 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.661 -10.096 2.194 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.126 -9.745 3.141 1.00 0.00 H new ATOM 433 N LYS A 30 -21.088 -10.092 -1.388 1.00 0.00 N ATOM 434 CA LYS A 30 -21.404 -10.575 -2.696 1.00 0.00 C ATOM 435 C LYS A 30 -21.215 -9.530 -3.741 1.00 0.00 C ATOM 436 O LYS A 30 -20.902 -9.809 -4.897 1.00 0.00 O ATOM 437 CB LYS A 30 -22.845 -11.097 -2.823 1.00 0.00 C ATOM 438 CG LYS A 30 -23.222 -12.091 -1.722 1.00 0.00 C ATOM 439 CD LYS A 30 -22.313 -13.314 -1.586 1.00 0.00 C ATOM 440 CE LYS A 30 -22.728 -14.247 -0.447 1.00 0.00 C ATOM 441 NZ LYS A 30 -21.855 -15.441 -0.492 1.00 0.00 N ATOM 0 H LYS A 30 -21.913 -9.966 -0.802 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.709 -11.400 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.535 -10.253 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.967 -11.576 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.231 -11.562 -0.769 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.239 -12.437 -1.905 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -22.319 -13.870 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -21.288 -12.981 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -22.632 -13.741 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.774 -14.535 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.845 -15.899 0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.217 -16.109 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.888 -15.155 -0.748 1.00 0.00 H new ATOM 455 N GLU A 31 -21.335 -8.271 -3.282 1.00 0.00 N ATOM 456 CA GLU A 31 -21.270 -7.070 -4.055 1.00 0.00 C ATOM 457 C GLU A 31 -19.893 -6.511 -3.951 1.00 0.00 C ATOM 458 O GLU A 31 -19.386 -5.910 -4.896 1.00 0.00 O ATOM 459 CB GLU A 31 -22.193 -5.931 -3.587 1.00 0.00 C ATOM 460 CG GLU A 31 -23.619 -6.159 -4.090 1.00 0.00 C ATOM 461 CD GLU A 31 -24.485 -5.204 -3.282 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.489 -5.219 -2.022 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.175 -4.387 -3.949 1.00 0.00 O ATOM 0 H GLU A 31 -21.490 -8.080 -2.292 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.576 -7.372 -5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.189 -5.875 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.819 -4.976 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.697 -5.954 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.929 -7.193 -3.941 1.00 0.00 H new ATOM 470 N LEU A 32 -19.232 -6.551 -2.780 1.00 0.00 N ATOM 471 CA LEU A 32 -17.847 -6.204 -2.703 1.00 0.00 C ATOM 472 C LEU A 32 -17.009 -7.129 -3.517 1.00 0.00 C ATOM 473 O LEU A 32 -16.059 -6.789 -4.221 1.00 0.00 O ATOM 474 CB LEU A 32 -17.262 -6.355 -1.289 1.00 0.00 C ATOM 475 CG LEU A 32 -17.672 -5.192 -0.369 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.389 -5.646 1.072 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.042 -3.807 -0.594 1.00 0.00 C ATOM 0 H LEU A 32 -19.654 -6.822 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.819 -5.170 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.599 -7.297 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.175 -6.404 -1.350 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.720 -5.008 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.665 -4.851 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.973 -6.539 1.293 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.328 -5.870 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.439 -3.104 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.960 -3.877 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.280 -3.458 -1.599 1.00 0.00 H new ATOM 489 N GLY A 33 -17.324 -8.437 -3.512 1.00 0.00 N ATOM 490 CA GLY A 33 -16.928 -9.373 -4.518 1.00 0.00 C ATOM 491 C GLY A 33 -17.113 -9.064 -5.964 1.00 0.00 C ATOM 492 O GLY A 33 -16.175 -9.203 -6.747 1.00 0.00 O ATOM 0 H GLY A 33 -17.881 -8.862 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.868 -9.576 -4.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.462 -10.302 -4.318 1.00 0.00 H new ATOM 496 N THR A 34 -18.293 -8.568 -6.379 1.00 0.00 N ATOM 497 CA THR A 34 -18.542 -8.031 -7.681 1.00 0.00 C ATOM 498 C THR A 34 -17.545 -7.004 -8.097 1.00 0.00 C ATOM 499 O THR A 34 -17.109 -7.009 -9.247 1.00 0.00 O ATOM 500 CB THR A 34 -19.931 -7.535 -7.954 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.769 -8.654 -7.706 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.092 -7.135 -9.430 1.00 0.00 C ATOM 0 H THR A 34 -19.115 -8.540 -5.775 1.00 0.00 H new ATOM 0 HA THR A 34 -18.427 -8.920 -8.301 1.00 0.00 H new ATOM 0 HB THR A 34 -20.165 -6.664 -7.342 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.778 -8.850 -6.746 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.108 -6.779 -9.602 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.384 -6.342 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.899 -8.000 -10.065 1.00 0.00 H new ATOM 510 N VAL A 35 -17.019 -6.076 -7.279 1.00 0.00 N ATOM 511 CA VAL A 35 -15.991 -5.153 -7.649 1.00 0.00 C ATOM 512 C VAL A 35 -14.675 -5.828 -7.829 1.00 0.00 C ATOM 513 O VAL A 35 -14.092 -5.710 -8.906 1.00 0.00 O ATOM 514 CB VAL A 35 -15.915 -4.035 -6.652 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.814 -3.041 -7.059 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.271 -3.317 -6.538 1.00 0.00 C ATOM 0 H VAL A 35 -17.325 -5.964 -6.313 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.251 -4.727 -8.618 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.668 -4.454 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.766 -2.233 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.854 -3.556 -7.094 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.041 -2.629 -8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.195 -2.509 -5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.548 -2.906 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.032 -4.027 -6.214 1.00 0.00 H new ATOM 526 N MET A 36 -14.268 -6.657 -6.851 1.00 0.00 N ATOM 527 CA MET A 36 -13.111 -7.495 -6.906 1.00 0.00 C ATOM 528 C MET A 36 -12.989 -8.293 -8.159 1.00 0.00 C ATOM 529 O MET A 36 -11.911 -8.304 -8.751 1.00 0.00 O ATOM 530 CB MET A 36 -12.995 -8.400 -5.668 1.00 0.00 C ATOM 531 CG MET A 36 -12.785 -7.774 -4.288 1.00 0.00 C ATOM 532 SD MET A 36 -11.175 -6.928 -4.305 1.00 0.00 S ATOM 533 CE MET A 36 -11.130 -6.267 -2.614 1.00 0.00 C ATOM 0 H MET A 36 -14.777 -6.747 -5.971 1.00 0.00 H new ATOM 0 HA MET A 36 -12.270 -6.802 -6.910 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.903 -9.001 -5.618 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.167 -9.087 -5.843 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.585 -7.069 -4.062 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.806 -8.540 -3.513 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.362 -5.497 -2.545 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.100 -5.836 -2.366 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.901 -7.071 -1.915 1.00 0.00 H new ATOM 543 N ARG A 37 -14.070 -8.936 -8.633 1.00 0.00 N ATOM 544 CA ARG A 37 -14.093 -9.831 -9.749 1.00 0.00 C ATOM 545 C ARG A 37 -14.031 -9.031 -11.004 1.00 0.00 C ATOM 546 O ARG A 37 -13.493 -9.412 -12.043 1.00 0.00 O ATOM 547 CB ARG A 37 -15.312 -10.770 -9.755 1.00 0.00 C ATOM 548 CG ARG A 37 -15.432 -11.773 -8.606 1.00 0.00 C ATOM 549 CD ARG A 37 -16.817 -12.110 -8.050 1.00 0.00 C ATOM 550 NE ARG A 37 -16.498 -12.748 -6.742 1.00 0.00 N ATOM 551 CZ ARG A 37 -17.479 -12.804 -5.794 1.00 0.00 C ATOM 552 NH1 ARG A 37 -18.717 -12.253 -5.955 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.107 -13.272 -4.567 1.00 0.00 N ATOM 0 H ARG A 37 -14.990 -8.823 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.224 -10.484 -9.670 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.212 -10.155 -9.761 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.302 -11.329 -10.691 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.975 -12.706 -8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.829 -11.398 -7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.432 -11.218 -7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.364 -12.786 -8.708 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.571 -13.133 -6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.950 -11.767 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -19.409 -12.328 -5.210 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.142 -13.556 -4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.794 -13.338 -3.816 1.00 0.00 H new ATOM 567 N SER A 38 -14.582 -7.806 -10.933 1.00 0.00 N ATOM 568 CA SER A 38 -14.524 -6.916 -12.050 1.00 0.00 C ATOM 569 C SER A 38 -13.181 -6.372 -12.400 1.00 0.00 C ATOM 570 O SER A 38 -12.971 -6.067 -13.573 1.00 0.00 O ATOM 571 CB SER A 38 -15.420 -5.682 -11.851 1.00 0.00 C ATOM 572 OG SER A 38 -16.764 -6.137 -11.829 1.00 0.00 O ATOM 0 H SER A 38 -15.062 -7.435 -10.113 1.00 0.00 H new ATOM 0 HA SER A 38 -14.856 -7.567 -12.858 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.171 -5.172 -10.920 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.270 -4.964 -12.657 1.00 0.00 H new ATOM 0 HG SER A 38 -17.016 -6.369 -10.911 1.00 0.00 H new ATOM 578 N LEU A 39 -12.253 -6.382 -11.427 1.00 0.00 N ATOM 579 CA LEU A 39 -10.896 -6.012 -11.689 1.00 0.00 C ATOM 580 C LEU A 39 -10.098 -7.255 -11.885 1.00 0.00 C ATOM 581 O LEU A 39 -8.873 -7.195 -11.975 1.00 0.00 O ATOM 582 CB LEU A 39 -10.417 -5.264 -10.434 1.00 0.00 C ATOM 583 CG LEU A 39 -11.059 -3.907 -10.100 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.403 -3.226 -8.887 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.057 -2.921 -11.280 1.00 0.00 C ATOM 0 H LEU A 39 -12.441 -6.646 -10.460 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.792 -5.391 -12.578 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.568 -5.922 -9.578 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.343 -5.108 -10.531 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.093 -4.154 -9.860 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.895 -2.272 -8.695 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.502 -3.868 -8.012 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.346 -3.055 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.525 -1.986 -10.973 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.030 -2.728 -11.591 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.614 -3.349 -12.113 1.00 0.00 H new ATOM 597 N GLY A 40 -10.676 -8.470 -11.886 1.00 0.00 N ATOM 598 CA GLY A 40 -9.952 -9.701 -11.954 1.00 0.00 C ATOM 599 C GLY A 40 -9.398 -10.302 -10.709 1.00 0.00 C ATOM 600 O GLY A 40 -8.582 -11.217 -10.812 1.00 0.00 O ATOM 0 H GLY A 40 -11.687 -8.599 -11.838 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.611 -10.441 -12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.120 -9.551 -12.642 1.00 0.00 H new ATOM 604 N GLN A 41 -9.755 -9.763 -9.530 1.00 0.00 N ATOM 605 CA GLN A 41 -9.137 -10.188 -8.313 1.00 0.00 C ATOM 606 C GLN A 41 -9.793 -11.437 -7.834 1.00 0.00 C ATOM 607 O GLN A 41 -10.990 -11.669 -7.997 1.00 0.00 O ATOM 608 CB GLN A 41 -9.219 -9.120 -7.209 1.00 0.00 C ATOM 609 CG GLN A 41 -8.506 -7.834 -7.630 1.00 0.00 C ATOM 610 CD GLN A 41 -8.487 -6.754 -6.557 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.005 -5.663 -6.789 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.885 -7.093 -5.386 1.00 0.00 N ATOM 0 H GLN A 41 -10.465 -9.039 -9.419 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.083 -10.363 -8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.264 -8.903 -6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.770 -9.505 -6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.479 -8.074 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.992 -7.437 -8.521 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.478 -8.021 -5.272 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.841 -6.419 -4.622 1.00 0.00 H new ATOM 621 N ASN A 42 -9.054 -12.289 -7.101 1.00 0.00 N ATOM 622 CA ASN A 42 -9.533 -13.459 -6.433 1.00 0.00 C ATOM 623 C ASN A 42 -9.425 -13.564 -4.950 1.00 0.00 C ATOM 624 O ASN A 42 -8.983 -14.630 -4.524 1.00 0.00 O ATOM 625 CB ASN A 42 -8.946 -14.768 -6.987 1.00 0.00 C ATOM 626 CG ASN A 42 -9.134 -14.933 -8.488 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.226 -15.352 -8.868 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.182 -14.511 -9.363 1.00 0.00 N ATOM 0 H ASN A 42 -8.053 -12.150 -6.967 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.591 -13.320 -6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.881 -14.805 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.412 -15.610 -6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.364 -14.537 -10.366 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.286 -14.169 -9.016 1.00 0.00 H new ATOM 635 N PRO A 43 -9.866 -12.693 -4.091 1.00 0.00 N ATOM 636 CA PRO A 43 -10.015 -12.951 -2.689 1.00 0.00 C ATOM 637 C PRO A 43 -11.179 -13.854 -2.466 1.00 0.00 C ATOM 638 O PRO A 43 -12.106 -13.962 -3.267 1.00 0.00 O ATOM 639 CB PRO A 43 -10.230 -11.585 -2.041 1.00 0.00 C ATOM 640 CG PRO A 43 -10.841 -10.769 -3.192 1.00 0.00 C ATOM 641 CD PRO A 43 -10.053 -11.285 -4.406 1.00 0.00 C ATOM 0 HA PRO A 43 -9.146 -13.449 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.900 -11.643 -1.183 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.295 -11.151 -1.687 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.911 -10.948 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -10.709 -9.697 -3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.606 -11.148 -5.335 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.101 -10.766 -4.521 1.00 0.00 H new ATOM 649 N THR A 44 -11.237 -14.452 -1.262 1.00 0.00 N ATOM 650 CA THR A 44 -12.421 -15.084 -0.770 1.00 0.00 C ATOM 651 C THR A 44 -13.253 -14.054 -0.088 1.00 0.00 C ATOM 652 O THR A 44 -12.724 -13.018 0.312 1.00 0.00 O ATOM 653 CB THR A 44 -12.279 -16.290 0.111 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.678 -16.036 1.373 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.431 -17.284 -0.700 1.00 0.00 C ATOM 0 H THR A 44 -10.447 -14.497 -0.619 1.00 0.00 H new ATOM 0 HA THR A 44 -12.885 -15.504 -1.663 1.00 0.00 H new ATOM 0 HB THR A 44 -13.269 -16.668 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.796 -15.630 1.240 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.283 -18.195 -0.119 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.945 -17.526 -1.630 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.463 -16.837 -0.926 1.00 0.00 H new ATOM 663 N GLU A 45 -14.545 -14.359 0.129 1.00 0.00 N ATOM 664 CA GLU A 45 -15.443 -13.526 0.868 1.00 0.00 C ATOM 665 C GLU A 45 -15.297 -13.570 2.350 1.00 0.00 C ATOM 666 O GLU A 45 -15.762 -12.626 2.986 1.00 0.00 O ATOM 667 CB GLU A 45 -16.909 -13.885 0.572 1.00 0.00 C ATOM 668 CG GLU A 45 -17.281 -13.432 -0.841 1.00 0.00 C ATOM 669 CD GLU A 45 -18.632 -13.986 -1.271 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.374 -14.652 -0.500 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.031 -13.611 -2.406 1.00 0.00 O ATOM 0 H GLU A 45 -14.979 -15.213 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.174 -12.525 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.056 -14.961 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.564 -13.407 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.305 -12.343 -0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.513 -13.759 -1.542 1.00 0.00 H new ATOM 678 N ALA A 46 -14.684 -14.603 2.955 1.00 0.00 N ATOM 679 CA ALA A 46 -14.369 -14.668 4.349 1.00 0.00 C ATOM 680 C ALA A 46 -13.260 -13.706 4.609 1.00 0.00 C ATOM 681 O ALA A 46 -13.347 -13.086 5.668 1.00 0.00 O ATOM 682 CB ALA A 46 -13.911 -16.062 4.810 1.00 0.00 C ATOM 0 H ALA A 46 -14.393 -15.437 2.445 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.277 -14.429 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.689 -16.038 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.703 -16.786 4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.016 -16.351 4.260 1.00 0.00 H new ATOM 688 N GLU A 47 -12.296 -13.478 3.699 1.00 0.00 N ATOM 689 CA GLU A 47 -11.305 -12.455 3.817 1.00 0.00 C ATOM 690 C GLU A 47 -11.905 -11.091 3.821 1.00 0.00 C ATOM 691 O GLU A 47 -11.621 -10.223 4.645 1.00 0.00 O ATOM 692 CB GLU A 47 -10.340 -12.510 2.621 1.00 0.00 C ATOM 693 CG GLU A 47 -9.261 -13.590 2.715 1.00 0.00 C ATOM 694 CD GLU A 47 -8.762 -13.901 1.311 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.931 -13.114 0.784 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.266 -14.865 0.676 1.00 0.00 O ATOM 0 H GLU A 47 -12.204 -14.030 2.846 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.790 -12.635 4.760 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.919 -12.673 1.712 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.855 -11.539 2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.438 -13.249 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.665 -14.489 3.181 1.00 0.00 H new ATOM 703 N LEU A 48 -12.900 -10.907 2.935 1.00 0.00 N ATOM 704 CA LEU A 48 -13.544 -9.631 2.887 1.00 0.00 C ATOM 705 C LEU A 48 -14.372 -9.327 4.088 1.00 0.00 C ATOM 706 O LEU A 48 -14.215 -8.199 4.553 1.00 0.00 O ATOM 707 CB LEU A 48 -14.516 -9.502 1.702 1.00 0.00 C ATOM 708 CG LEU A 48 -13.859 -9.182 0.349 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.687 -9.456 -0.918 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.287 -7.757 0.265 1.00 0.00 C ATOM 0 H LEU A 48 -13.247 -11.607 2.279 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.703 -8.942 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.073 -10.434 1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.240 -8.720 1.930 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.053 -9.916 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.104 -9.186 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.944 -10.514 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.600 -8.862 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.839 -7.602 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.088 -7.034 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.527 -7.624 1.035 1.00 0.00 H new ATOM 722 N GLN A 49 -15.187 -10.258 4.614 1.00 0.00 N ATOM 723 CA GLN A 49 -15.973 -10.255 5.808 1.00 0.00 C ATOM 724 C GLN A 49 -15.181 -9.807 6.988 1.00 0.00 C ATOM 725 O GLN A 49 -15.596 -8.911 7.722 1.00 0.00 O ATOM 726 CB GLN A 49 -16.650 -11.626 5.976 1.00 0.00 C ATOM 727 CG GLN A 49 -17.663 -11.698 7.120 1.00 0.00 C ATOM 728 CD GLN A 49 -18.396 -13.032 7.087 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.632 -13.568 6.006 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.728 -13.597 8.279 1.00 0.00 N ATOM 0 H GLN A 49 -15.308 -11.144 4.122 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.771 -9.517 5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.154 -11.885 5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.880 -12.379 6.142 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.153 -11.578 8.076 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.378 -10.879 7.035 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -18.511 -13.113 9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.194 -14.504 8.301 1.00 0.00 H new ATOM 739 N ASP A 50 -13.941 -10.314 7.104 1.00 0.00 N ATOM 740 CA ASP A 50 -12.969 -9.968 8.094 1.00 0.00 C ATOM 741 C ASP A 50 -12.703 -8.503 8.151 1.00 0.00 C ATOM 742 O ASP A 50 -12.818 -7.850 9.187 1.00 0.00 O ATOM 743 CB ASP A 50 -11.590 -10.607 7.858 1.00 0.00 C ATOM 744 CG ASP A 50 -10.928 -10.697 9.225 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.248 -11.699 9.920 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.082 -9.818 9.541 1.00 0.00 O ATOM 0 H ASP A 50 -13.593 -11.020 6.455 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.420 -10.339 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.690 -11.594 7.407 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.993 -10.004 7.174 1.00 0.00 H new ATOM 751 N MET A 51 -12.483 -7.808 7.021 1.00 0.00 N ATOM 752 CA MET A 51 -12.372 -6.408 6.752 1.00 0.00 C ATOM 753 C MET A 51 -13.575 -5.625 7.152 1.00 0.00 C ATOM 754 O MET A 51 -13.514 -4.498 7.641 1.00 0.00 O ATOM 755 CB MET A 51 -12.086 -6.055 5.283 1.00 0.00 C ATOM 756 CG MET A 51 -11.008 -6.874 4.570 1.00 0.00 C ATOM 757 SD MET A 51 -10.687 -6.299 2.875 1.00 0.00 S ATOM 758 CE MET A 51 -10.059 -7.819 2.105 1.00 0.00 C ATOM 0 H MET A 51 -12.364 -8.326 6.151 1.00 0.00 H new ATOM 0 HA MET A 51 -11.513 -6.133 7.365 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.015 -6.157 4.723 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.800 -5.004 5.236 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.083 -6.827 5.145 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.313 -7.920 4.542 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.417 -7.881 1.077 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.969 -7.806 2.109 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.413 -8.684 2.665 1.00 0.00 H new ATOM 768 N ILE A 52 -14.823 -6.046 6.880 1.00 0.00 N ATOM 769 CA ILE A 52 -16.022 -5.404 7.322 1.00 0.00 C ATOM 770 C ILE A 52 -16.079 -5.307 8.808 1.00 0.00 C ATOM 771 O ILE A 52 -16.267 -4.192 9.293 1.00 0.00 O ATOM 772 CB ILE A 52 -17.256 -6.071 6.791 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.071 -6.332 5.286 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.431 -5.100 6.997 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.333 -6.967 4.704 1.00 0.00 C ATOM 0 H ILE A 52 -15.005 -6.880 6.321 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.994 -4.393 6.915 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.443 -7.016 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.855 -5.396 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.217 -6.989 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.348 -5.554 6.621 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.542 -4.884 8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.236 -4.174 6.457 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.191 -7.147 3.638 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.531 -7.912 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.179 -6.295 4.849 1.00 0.00 H new ATOM 787 N ASN A 53 -15.795 -6.420 9.508 1.00 0.00 N ATOM 788 CA ASN A 53 -15.918 -6.628 10.917 1.00 0.00 C ATOM 789 C ASN A 53 -14.902 -5.781 11.603 1.00 0.00 C ATOM 790 O ASN A 53 -14.986 -5.432 12.779 1.00 0.00 O ATOM 791 CB ASN A 53 -15.893 -8.108 11.335 1.00 0.00 C ATOM 792 CG ASN A 53 -17.241 -8.793 11.505 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.302 -8.172 11.469 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.213 -10.133 11.739 1.00 0.00 N ATOM 0 H ASN A 53 -15.445 -7.255 9.038 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.911 -6.314 11.238 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.321 -8.662 10.591 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.350 -8.186 12.277 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.084 -10.643 11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.321 -10.628 11.764 1.00 0.00 H new ATOM 801 N GLU A 54 -13.810 -5.362 10.939 1.00 0.00 N ATOM 802 CA GLU A 54 -12.941 -4.339 11.433 1.00 0.00 C ATOM 803 C GLU A 54 -13.528 -2.970 11.451 1.00 0.00 C ATOM 804 O GLU A 54 -13.382 -2.311 12.479 1.00 0.00 O ATOM 805 CB GLU A 54 -11.577 -4.425 10.729 1.00 0.00 C ATOM 806 CG GLU A 54 -10.499 -3.585 11.418 1.00 0.00 C ATOM 807 CD GLU A 54 -9.076 -3.899 10.978 1.00 0.00 C ATOM 808 OE1 GLU A 54 -8.755 -3.696 9.777 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.256 -4.260 11.864 1.00 0.00 O ATOM 0 H GLU A 54 -13.524 -5.743 10.037 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.788 -4.537 12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.255 -5.466 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.685 -4.093 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.701 -2.531 11.227 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.574 -3.734 12.495 1.00 0.00 H new ATOM 816 N VAL A 55 -14.063 -2.489 10.314 1.00 0.00 N ATOM 817 CA VAL A 55 -14.500 -1.129 10.265 1.00 0.00 C ATOM 818 C VAL A 55 -15.883 -0.915 10.776 1.00 0.00 C ATOM 819 O VAL A 55 -16.284 0.233 10.963 1.00 0.00 O ATOM 820 CB VAL A 55 -14.377 -0.500 8.909 1.00 0.00 C ATOM 821 CG1 VAL A 55 -12.894 -0.426 8.506 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.133 -1.449 7.964 1.00 0.00 C ATOM 0 H VAL A 55 -14.190 -3.022 9.454 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.806 -0.630 10.941 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.777 0.513 8.881 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.807 0.031 7.520 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.349 0.175 9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.474 -1.431 8.478 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.091 -1.059 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.672 -2.436 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.173 -1.525 8.280 1.00 0.00 H new ATOM 832 N ASP A 56 -16.628 -2.009 11.014 1.00 0.00 N ATOM 833 CA ASP A 56 -17.974 -2.049 11.494 1.00 0.00 C ATOM 834 C ASP A 56 -17.985 -1.857 12.972 1.00 0.00 C ATOM 835 O ASP A 56 -17.713 -2.775 13.743 1.00 0.00 O ATOM 836 CB ASP A 56 -18.655 -3.358 11.060 1.00 0.00 C ATOM 837 CG ASP A 56 -20.168 -3.396 11.221 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.828 -2.507 10.620 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.620 -4.419 11.803 1.00 0.00 O ATOM 0 H ASP A 56 -16.255 -2.945 10.856 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.551 -1.234 11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.414 -3.542 10.013 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.225 -4.178 11.635 1.00 0.00 H new ATOM 844 N ALA A 57 -18.380 -0.653 13.422 1.00 0.00 N ATOM 845 CA ALA A 57 -18.748 -0.308 14.761 1.00 0.00 C ATOM 846 C ALA A 57 -20.229 -0.234 14.900 1.00 0.00 C ATOM 847 O ALA A 57 -20.731 -0.300 16.021 1.00 0.00 O ATOM 848 CB ALA A 57 -18.110 0.967 15.338 1.00 0.00 C ATOM 0 H ALA A 57 -18.447 0.148 12.793 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.336 -1.122 15.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.465 1.123 16.357 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.025 0.860 15.344 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.387 1.823 14.722 1.00 0.00 H new ATOM 854 N ASP A 58 -20.968 -0.023 13.796 1.00 0.00 N ATOM 855 CA ASP A 58 -22.391 0.110 13.804 1.00 0.00 C ATOM 856 C ASP A 58 -23.196 -1.130 13.989 1.00 0.00 C ATOM 857 O ASP A 58 -24.018 -1.207 14.901 1.00 0.00 O ATOM 858 CB ASP A 58 -22.740 0.979 12.583 1.00 0.00 C ATOM 859 CG ASP A 58 -22.284 0.370 11.265 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.036 -0.386 10.594 1.00 0.00 O ATOM 861 OD2 ASP A 58 -21.217 0.693 10.677 1.00 0.00 O ATOM 0 H ASP A 58 -20.560 0.058 12.865 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.703 0.602 14.725 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.819 1.133 12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.281 1.961 12.700 1.00 0.00 H new ATOM 866 N GLY A 59 -22.910 -2.158 13.170 1.00 0.00 N ATOM 867 CA GLY A 59 -23.328 -3.506 13.399 1.00 0.00 C ATOM 868 C GLY A 59 -24.192 -4.105 12.343 1.00 0.00 C ATOM 869 O GLY A 59 -24.664 -5.221 12.555 1.00 0.00 O ATOM 0 H GLY A 59 -22.366 -2.045 12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.440 -4.128 13.511 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.865 -3.544 14.347 1.00 0.00 H new ATOM 873 N ASN A 60 -24.358 -3.462 11.174 1.00 0.00 N ATOM 874 CA ASN A 60 -25.051 -4.058 10.074 1.00 0.00 C ATOM 875 C ASN A 60 -24.291 -5.188 9.468 1.00 0.00 C ATOM 876 O ASN A 60 -24.894 -6.112 8.924 1.00 0.00 O ATOM 877 CB ASN A 60 -25.544 -3.017 9.055 1.00 0.00 C ATOM 878 CG ASN A 60 -24.463 -2.318 8.243 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.256 -2.333 8.479 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.989 -1.368 7.425 1.00 0.00 N ATOM 0 H ASN A 60 -24.009 -2.521 10.989 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.957 -4.509 10.478 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.229 -3.509 8.364 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.118 -2.259 9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.382 -0.664 7.004 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.990 -1.359 7.232 1.00 0.00 H new ATOM 887 N GLY A 61 -22.961 -5.268 9.653 1.00 0.00 N ATOM 888 CA GLY A 61 -22.107 -6.167 8.940 1.00 0.00 C ATOM 889 C GLY A 61 -21.923 -5.946 7.479 1.00 0.00 C ATOM 890 O GLY A 61 -21.269 -6.826 6.920 1.00 0.00 O ATOM 0 H GLY A 61 -22.462 -4.685 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.123 -6.136 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.494 -7.176 9.079 1.00 0.00 H new ATOM 894 N THR A 62 -22.396 -4.853 6.853 1.00 0.00 N ATOM 895 CA THR A 62 -21.990 -4.489 5.532 1.00 0.00 C ATOM 896 C THR A 62 -21.275 -3.184 5.601 1.00 0.00 C ATOM 897 O THR A 62 -21.200 -2.525 6.637 1.00 0.00 O ATOM 898 CB THR A 62 -23.235 -4.388 4.702 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.128 -3.506 5.366 1.00 0.00 O ATOM 900 CG2 THR A 62 -23.862 -5.786 4.566 1.00 0.00 C ATOM 0 H THR A 62 -23.071 -4.212 7.271 1.00 0.00 H new ATOM 0 HA THR A 62 -21.316 -5.221 5.088 1.00 0.00 H new ATOM 0 HB THR A 62 -23.014 -4.008 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.040 -3.657 5.040 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.768 -5.721 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.152 -6.458 4.083 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.110 -6.171 5.555 1.00 0.00 H new ATOM 908 N ILE A 63 -20.719 -2.868 4.418 1.00 0.00 N ATOM 909 CA ILE A 63 -20.017 -1.649 4.158 1.00 0.00 C ATOM 910 C ILE A 63 -20.966 -0.624 3.638 1.00 0.00 C ATOM 911 O ILE A 63 -21.722 -0.688 2.670 1.00 0.00 O ATOM 912 CB ILE A 63 -18.947 -1.896 3.137 1.00 0.00 C ATOM 913 CG1 ILE A 63 -17.683 -2.587 3.675 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.483 -0.577 2.495 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.918 -1.868 4.785 1.00 0.00 C ATOM 0 H ILE A 63 -20.760 -3.488 3.609 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.566 -1.290 5.083 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.425 -2.564 2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.967 -3.573 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -17.001 -2.743 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.707 -0.784 1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.328 -0.094 2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.085 0.083 3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.050 -2.462 5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.588 -0.893 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.569 -1.736 5.649 1.00 0.00 H new ATOM 927 N ASP A 64 -21.191 0.408 4.470 1.00 0.00 N ATOM 928 CA ASP A 64 -22.098 1.477 4.183 1.00 0.00 C ATOM 929 C ASP A 64 -21.366 2.729 3.843 1.00 0.00 C ATOM 930 O ASP A 64 -20.147 2.696 4.003 1.00 0.00 O ATOM 931 CB ASP A 64 -23.087 1.671 5.345 1.00 0.00 C ATOM 932 CG ASP A 64 -22.376 1.777 6.687 1.00 0.00 C ATOM 933 OD1 ASP A 64 -21.955 2.916 7.023 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.368 0.805 7.487 1.00 0.00 O ATOM 0 H ASP A 64 -20.726 0.502 5.373 1.00 0.00 H new ATOM 0 HA ASP A 64 -22.682 1.211 3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.675 2.573 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.786 0.835 5.370 1.00 0.00 H new ATOM 939 N PHE A 65 -21.944 3.806 3.283 1.00 0.00 N ATOM 940 CA PHE A 65 -21.280 4.915 2.670 1.00 0.00 C ATOM 941 C PHE A 65 -20.356 5.679 3.554 1.00 0.00 C ATOM 942 O PHE A 65 -19.213 5.792 3.114 1.00 0.00 O ATOM 943 CB PHE A 65 -22.290 5.840 1.970 1.00 0.00 C ATOM 944 CG PHE A 65 -21.626 7.021 1.351 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.701 6.846 0.349 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.709 8.280 1.898 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.014 7.922 -0.163 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.956 9.342 1.457 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.062 9.162 0.427 1.00 0.00 C ATOM 0 H PHE A 65 -22.959 3.908 3.257 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.622 4.469 1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.824 5.280 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.033 6.178 2.692 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.512 5.856 -0.039 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.399 8.442 2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.420 7.788 -1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.066 10.313 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.422 9.966 0.094 1.00 0.00 H new ATOM 959 N PRO A 66 -20.463 6.107 4.777 1.00 0.00 N ATOM 960 CA PRO A 66 -19.430 6.776 5.514 1.00 0.00 C ATOM 961 C PRO A 66 -18.360 5.821 5.917 1.00 0.00 C ATOM 962 O PRO A 66 -17.232 6.217 6.205 1.00 0.00 O ATOM 963 CB PRO A 66 -20.097 7.335 6.769 1.00 0.00 C ATOM 964 CG PRO A 66 -21.450 6.617 6.893 1.00 0.00 C ATOM 965 CD PRO A 66 -21.754 6.247 5.433 1.00 0.00 C ATOM 0 HA PRO A 66 -18.969 7.555 4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.480 7.157 7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.235 8.413 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.387 5.736 7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.217 7.264 7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.323 5.319 5.376 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.354 7.019 4.952 1.00 0.00 H new ATOM 973 N GLU A 67 -18.674 4.525 6.094 1.00 0.00 N ATOM 974 CA GLU A 67 -17.715 3.520 6.432 1.00 0.00 C ATOM 975 C GLU A 67 -16.822 3.280 5.264 1.00 0.00 C ATOM 976 O GLU A 67 -15.611 3.111 5.399 1.00 0.00 O ATOM 977 CB GLU A 67 -18.512 2.270 6.841 1.00 0.00 C ATOM 978 CG GLU A 67 -17.695 1.225 7.604 1.00 0.00 C ATOM 979 CD GLU A 67 -18.795 0.260 8.022 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.593 -0.222 7.175 1.00 0.00 O ATOM 981 OE2 GLU A 67 -18.914 -0.104 9.223 1.00 0.00 O ATOM 0 H GLU A 67 -19.624 4.166 5.999 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.069 3.817 7.258 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.355 2.577 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.926 1.808 5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.943 0.748 6.976 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.172 1.652 8.459 1.00 0.00 H new ATOM 988 N PHE A 68 -17.392 3.189 4.050 1.00 0.00 N ATOM 989 CA PHE A 68 -16.724 3.085 2.790 1.00 0.00 C ATOM 990 C PHE A 68 -15.708 4.127 2.469 1.00 0.00 C ATOM 991 O PHE A 68 -14.611 3.847 1.987 1.00 0.00 O ATOM 992 CB PHE A 68 -17.714 3.135 1.614 1.00 0.00 C ATOM 993 CG PHE A 68 -17.244 3.178 0.201 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.018 2.024 -0.512 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.019 4.397 -0.393 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.542 2.063 -1.801 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.514 4.444 -1.671 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.296 3.286 -2.380 1.00 0.00 C ATOM 0 H PHE A 68 -18.406 3.188 3.942 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.214 2.129 2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.360 2.262 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.342 4.013 1.766 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.218 1.068 -0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.237 5.311 0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.364 1.150 -2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.287 5.399 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.930 3.337 -3.395 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.063 5.341 2.924 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.295 6.505 2.606 1.00 0.00 C ATOM 1010 C LEU A 69 -14.174 6.412 3.583 1.00 0.00 C ATOM 1011 O LEU A 69 -13.079 6.856 3.239 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.300 7.625 2.922 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.089 8.904 2.094 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.221 9.896 2.411 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -14.772 9.645 2.382 1.00 0.00 C ATOM 0 H LEU A 69 -16.879 5.517 3.510 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.890 6.642 1.603 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.310 7.253 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.231 7.874 3.981 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.070 8.575 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -17.080 10.807 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.181 9.447 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.205 10.139 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.709 10.533 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.742 9.940 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.930 8.987 2.166 1.00 0.00 H new ATOM 1027 N THR A 70 -14.321 5.819 4.780 1.00 0.00 N ATOM 1028 CA THR A 70 -13.297 5.564 5.746 1.00 0.00 C ATOM 1029 C THR A 70 -12.430 4.415 5.363 1.00 0.00 C ATOM 1030 O THR A 70 -11.213 4.332 5.526 1.00 0.00 O ATOM 1031 CB THR A 70 -13.817 5.410 7.145 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.431 6.625 7.549 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.701 5.230 8.188 1.00 0.00 C ATOM 0 H THR A 70 -15.233 5.491 5.098 1.00 0.00 H new ATOM 0 HA THR A 70 -12.678 6.461 5.746 1.00 0.00 H new ATOM 0 HB THR A 70 -14.477 4.543 7.114 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.346 6.662 7.199 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.143 5.124 9.179 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.122 4.337 7.951 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.046 6.101 8.174 1.00 0.00 H new ATOM 1041 N MET A 71 -13.032 3.350 4.804 1.00 0.00 N ATOM 1042 CA MET A 71 -12.330 2.225 4.267 1.00 0.00 C ATOM 1043 C MET A 71 -11.444 2.606 3.131 1.00 0.00 C ATOM 1044 O MET A 71 -10.290 2.187 3.059 1.00 0.00 O ATOM 1045 CB MET A 71 -13.173 0.988 3.912 1.00 0.00 C ATOM 1046 CG MET A 71 -12.623 -0.234 3.174 1.00 0.00 C ATOM 1047 SD MET A 71 -11.370 -1.229 4.038 1.00 0.00 S ATOM 1048 CE MET A 71 -12.553 -1.918 5.231 1.00 0.00 C ATOM 0 H MET A 71 -14.046 3.269 4.723 1.00 0.00 H new ATOM 0 HA MET A 71 -11.723 1.900 5.112 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.583 0.618 4.852 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.012 1.351 3.319 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.461 -0.886 2.927 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.194 0.105 2.231 1.00 0.00 H new ATOM 0 HE1 MET A 71 -12.154 -1.815 6.240 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.498 -1.380 5.158 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.718 -2.973 5.012 1.00 0.00 H new ATOM 1058 N MET A 72 -11.926 3.403 2.161 1.00 0.00 N ATOM 1059 CA MET A 72 -11.147 3.927 1.082 1.00 0.00 C ATOM 1060 C MET A 72 -9.952 4.719 1.486 1.00 0.00 C ATOM 1061 O MET A 72 -8.934 4.753 0.797 1.00 0.00 O ATOM 1062 CB MET A 72 -11.886 4.863 0.110 1.00 0.00 C ATOM 1063 CG MET A 72 -12.442 4.190 -1.146 1.00 0.00 C ATOM 1064 SD MET A 72 -11.240 3.489 -2.317 1.00 0.00 S ATOM 1065 CE MET A 72 -12.435 2.544 -3.305 1.00 0.00 C ATOM 0 H MET A 72 -12.903 3.695 2.127 1.00 0.00 H new ATOM 0 HA MET A 72 -10.876 2.986 0.603 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.710 5.338 0.643 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.204 5.657 -0.194 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.113 3.390 -0.832 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.047 4.922 -1.681 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.912 2.018 -4.104 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.944 1.821 -2.667 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.168 3.225 -3.738 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.070 5.390 2.646 1.00 0.00 N ATOM 1076 CA ALA A 73 -8.952 6.183 3.053 1.00 0.00 C ATOM 1077 C ALA A 73 -7.942 5.389 3.808 1.00 0.00 C ATOM 1078 O ALA A 73 -6.751 5.654 3.647 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.496 7.423 3.781 1.00 0.00 C ATOM 0 H ALA A 73 -10.880 5.389 3.266 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.384 6.531 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.664 8.049 4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.136 7.990 3.105 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.074 7.110 4.650 1.00 0.00 H new ATOM 1234 N GLU A 83 -0.664 -1.599 -8.536 1.00 0.00 N ATOM 1235 CA GLU A 83 -1.499 -1.087 -9.577 1.00 0.00 C ATOM 1236 C GLU A 83 -1.798 0.369 -9.471 1.00 0.00 C ATOM 1237 O GLU A 83 -1.407 1.097 -10.382 1.00 0.00 O ATOM 1238 CB GLU A 83 -2.719 -2.004 -9.765 1.00 0.00 C ATOM 1239 CG GLU A 83 -3.392 -1.962 -11.138 1.00 0.00 C ATOM 1240 CD GLU A 83 -2.436 -2.351 -12.257 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -1.988 -3.528 -12.218 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -2.329 -1.526 -13.203 1.00 0.00 O ATOM 0 HA GLU A 83 -0.935 -1.118 -10.509 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.410 -3.030 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.462 -1.744 -9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.248 -2.637 -11.142 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.776 -0.959 -11.322 1.00 0.00 H new ATOM 1249 N GLU A 84 -2.403 0.826 -8.360 1.00 0.00 N ATOM 1250 CA GLU A 84 -2.749 2.206 -8.217 1.00 0.00 C ATOM 1251 C GLU A 84 -1.621 3.153 -7.995 1.00 0.00 C ATOM 1252 O GLU A 84 -1.744 4.302 -8.416 1.00 0.00 O ATOM 1253 CB GLU A 84 -3.855 2.455 -7.176 1.00 0.00 C ATOM 1254 CG GLU A 84 -5.199 1.867 -7.610 1.00 0.00 C ATOM 1255 CD GLU A 84 -5.927 2.725 -8.635 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -6.240 3.918 -8.377 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -6.217 2.222 -9.754 1.00 0.00 O ATOM 0 H GLU A 84 -2.652 0.241 -7.562 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.134 2.436 -9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.560 2.017 -6.223 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.965 3.527 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.035 0.874 -8.028 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.834 1.743 -6.733 1.00 0.00 H new ATOM 1264 N ILE A 85 -0.462 2.623 -7.565 1.00 0.00 N ATOM 1265 CA ILE A 85 0.757 3.359 -7.433 1.00 0.00 C ATOM 1266 C ILE A 85 1.433 3.653 -8.728 1.00 0.00 C ATOM 1267 O ILE A 85 1.843 4.780 -9.001 1.00 0.00 O ATOM 1268 CB ILE A 85 1.781 2.833 -6.471 1.00 0.00 C ATOM 1269 CG1 ILE A 85 2.731 1.672 -6.807 1.00 0.00 C ATOM 1270 CG2 ILE A 85 0.984 2.698 -5.163 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.414 0.951 -5.646 1.00 0.00 C ATOM 0 H ILE A 85 -0.371 1.643 -7.299 1.00 0.00 H new ATOM 0 HA ILE A 85 0.367 4.277 -6.993 1.00 0.00 H new ATOM 0 HB ILE A 85 2.614 3.536 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.168 0.932 -7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.509 2.056 -7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.636 2.317 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.596 3.674 -4.871 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.154 2.007 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.052 0.158 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.020 1.661 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.658 0.519 -4.990 1.00 0.00 H new ATOM 1283 N ARG A 86 1.469 2.674 -9.650 1.00 0.00 N ATOM 1284 CA ARG A 86 1.798 2.804 -11.036 1.00 0.00 C ATOM 1285 C ARG A 86 1.076 3.869 -11.788 1.00 0.00 C ATOM 1286 O ARG A 86 1.715 4.696 -12.436 1.00 0.00 O ATOM 1287 CB ARG A 86 1.565 1.501 -11.819 1.00 0.00 C ATOM 1288 CG ARG A 86 2.800 0.617 -11.634 1.00 0.00 C ATOM 1289 CD ARG A 86 2.668 -0.746 -12.318 1.00 0.00 C ATOM 1290 NE ARG A 86 3.779 -1.543 -11.726 1.00 0.00 N ATOM 1291 CZ ARG A 86 3.651 -2.783 -11.171 1.00 0.00 C ATOM 1292 NH1 ARG A 86 2.526 -3.549 -11.263 1.00 0.00 N ATOM 1293 NH2 ARG A 86 4.600 -3.196 -10.280 1.00 0.00 N ATOM 0 H ARG A 86 1.249 1.709 -9.403 1.00 0.00 H new ATOM 0 HA ARG A 86 2.852 3.076 -10.981 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.673 0.991 -11.456 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.403 1.714 -12.876 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.673 1.134 -12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.977 0.467 -10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.698 -1.202 -12.120 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.766 -0.663 -13.400 1.00 0.00 H new ATOM 0 HE ARG A 86 4.711 -1.128 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.713 -3.202 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.498 -4.469 -10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.380 -2.582 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.529 -4.118 -9.850 1.00 0.00 H new ATOM 1307 N GLU A 87 -0.250 3.973 -11.586 1.00 0.00 N ATOM 1308 CA GLU A 87 -1.030 4.968 -12.253 1.00 0.00 C ATOM 1309 C GLU A 87 -0.898 6.328 -11.658 1.00 0.00 C ATOM 1310 O GLU A 87 -0.721 7.281 -12.416 1.00 0.00 O ATOM 1311 CB GLU A 87 -2.472 4.494 -12.503 1.00 0.00 C ATOM 1312 CG GLU A 87 -3.315 5.404 -13.399 1.00 0.00 C ATOM 1313 CD GLU A 87 -4.565 4.714 -13.927 1.00 0.00 C ATOM 1314 OE1 GLU A 87 -5.504 4.323 -13.183 1.00 0.00 O ATOM 1315 OE2 GLU A 87 -4.602 4.509 -15.169 1.00 0.00 O ATOM 0 H GLU A 87 -0.782 3.368 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.602 5.097 -13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.438 3.501 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.975 4.392 -11.541 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.605 6.292 -12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.709 5.742 -14.240 1.00 0.00 H new ATOM 1322 N ALA A 88 -0.669 6.495 -10.343 1.00 0.00 N ATOM 1323 CA ALA A 88 -0.496 7.699 -9.591 1.00 0.00 C ATOM 1324 C ALA A 88 0.828 8.298 -9.916 1.00 0.00 C ATOM 1325 O ALA A 88 0.864 9.517 -10.075 1.00 0.00 O ATOM 1326 CB ALA A 88 -0.484 7.342 -8.095 1.00 0.00 C ATOM 0 H ALA A 88 -0.597 5.680 -9.734 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.300 8.395 -9.828 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.353 8.249 -7.505 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -1.428 6.868 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.337 6.655 -7.891 1.00 0.00 H new ATOM 1332 N PHE A 89 1.887 7.539 -10.250 1.00 0.00 N ATOM 1333 CA PHE A 89 3.155 8.083 -10.626 1.00 0.00 C ATOM 1334 C PHE A 89 3.066 8.707 -11.976 1.00 0.00 C ATOM 1335 O PHE A 89 3.630 9.767 -12.243 1.00 0.00 O ATOM 1336 CB PHE A 89 4.171 6.930 -10.700 1.00 0.00 C ATOM 1337 CG PHE A 89 5.552 7.475 -10.830 1.00 0.00 C ATOM 1338 CD1 PHE A 89 6.210 7.854 -9.684 1.00 0.00 C ATOM 1339 CD2 PHE A 89 6.161 7.715 -12.038 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.397 8.547 -9.731 1.00 0.00 C ATOM 1341 CE2 PHE A 89 7.371 8.360 -12.134 1.00 0.00 C ATOM 1342 CZ PHE A 89 7.941 8.811 -10.966 1.00 0.00 C ATOM 0 H PHE A 89 1.861 6.519 -10.259 1.00 0.00 H new ATOM 0 HA PHE A 89 3.457 8.834 -9.896 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.098 6.312 -9.805 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.943 6.288 -11.551 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.785 7.602 -8.724 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.672 7.386 -12.943 1.00 0.00 H new ATOM 0 HE1 PHE A 89 7.887 8.874 -8.826 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.855 8.507 -13.088 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.849 9.394 -11.021 1.00 0.00 H new ATOM 1352 N ARG A 90 2.338 7.969 -12.833 1.00 0.00 N ATOM 1353 CA ARG A 90 2.035 8.426 -14.154 1.00 0.00 C ATOM 1354 C ARG A 90 1.154 9.626 -14.199 1.00 0.00 C ATOM 1355 O ARG A 90 1.288 10.496 -15.058 1.00 0.00 O ATOM 1356 CB ARG A 90 1.471 7.235 -14.947 1.00 0.00 C ATOM 1357 CG ARG A 90 1.012 7.533 -16.376 1.00 0.00 C ATOM 1358 CD ARG A 90 2.092 7.405 -17.452 1.00 0.00 C ATOM 1359 NE ARG A 90 3.022 8.523 -17.129 1.00 0.00 N ATOM 1360 CZ ARG A 90 4.385 8.451 -17.147 1.00 0.00 C ATOM 1361 NH1 ARG A 90 5.137 7.324 -17.315 1.00 0.00 N ATOM 1362 NH2 ARG A 90 5.044 9.630 -16.944 1.00 0.00 N ATOM 0 H ARG A 90 1.957 7.050 -12.609 1.00 0.00 H new ATOM 0 HA ARG A 90 2.954 8.781 -14.619 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.234 6.458 -14.987 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.626 6.824 -14.394 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.193 6.858 -16.625 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.610 8.546 -16.407 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.593 6.438 -17.408 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.676 7.503 -18.455 1.00 0.00 H new ATOM 0 HE ARG A 90 2.605 9.418 -16.873 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.681 6.421 -17.444 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.155 7.385 -17.312 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.516 10.490 -16.792 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.064 9.651 -16.944 1.00 0.00 H new ATOM 1376 N VAL A 91 0.203 9.770 -13.258 1.00 0.00 N ATOM 1377 CA VAL A 91 -0.597 10.954 -13.199 1.00 0.00 C ATOM 1378 C VAL A 91 0.166 12.200 -12.907 1.00 0.00 C ATOM 1379 O VAL A 91 0.058 13.242 -13.551 1.00 0.00 O ATOM 1380 CB VAL A 91 -1.760 10.821 -12.262 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -2.309 12.117 -11.642 1.00 0.00 C ATOM 1382 CG2 VAL A 91 -2.930 10.069 -12.919 1.00 0.00 C ATOM 0 H VAL A 91 -0.011 9.073 -12.544 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.982 11.058 -14.213 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.325 10.258 -11.436 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.146 11.880 -10.986 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.523 12.606 -11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.647 12.785 -12.434 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.755 9.991 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.261 10.613 -13.804 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.604 9.070 -13.208 1.00 0.00 H new ATOM 1392 N PHE A 92 1.163 12.024 -12.020 1.00 0.00 N ATOM 1393 CA PHE A 92 2.027 13.105 -11.659 1.00 0.00 C ATOM 1394 C PHE A 92 3.151 13.304 -12.618 1.00 0.00 C ATOM 1395 O PHE A 92 3.496 14.430 -12.975 1.00 0.00 O ATOM 1396 CB PHE A 92 2.752 12.803 -10.337 1.00 0.00 C ATOM 1397 CG PHE A 92 1.860 12.923 -9.150 1.00 0.00 C ATOM 1398 CD1 PHE A 92 1.176 14.085 -8.879 1.00 0.00 C ATOM 1399 CD2 PHE A 92 1.750 11.844 -8.305 1.00 0.00 C ATOM 1400 CE1 PHE A 92 0.309 14.079 -7.812 1.00 0.00 C ATOM 1401 CE2 PHE A 92 0.804 11.861 -7.308 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.100 12.999 -6.988 1.00 0.00 C ATOM 0 H PHE A 92 1.370 11.140 -11.556 1.00 0.00 H new ATOM 0 HA PHE A 92 1.369 13.973 -11.621 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.164 11.795 -10.376 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.593 13.487 -10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.315 14.970 -9.482 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.401 10.991 -8.424 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.245 14.983 -7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.607 10.952 -6.758 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.573 13.041 -6.144 1.00 0.00 H new ATOM 1412 N ASP A 93 3.807 12.270 -13.173 1.00 0.00 N ATOM 1413 CA ASP A 93 4.866 12.463 -14.114 1.00 0.00 C ATOM 1414 C ASP A 93 4.325 12.769 -15.469 1.00 0.00 C ATOM 1415 O ASP A 93 4.007 11.883 -16.260 1.00 0.00 O ATOM 1416 CB ASP A 93 5.791 11.240 -14.227 1.00 0.00 C ATOM 1417 CG ASP A 93 7.039 11.595 -15.024 1.00 0.00 C ATOM 1418 OD1 ASP A 93 7.640 12.670 -14.755 1.00 0.00 O ATOM 1419 OD2 ASP A 93 7.399 10.911 -16.019 1.00 0.00 O ATOM 0 H ASP A 93 3.602 11.292 -12.968 1.00 0.00 H new ATOM 0 HA ASP A 93 5.448 13.304 -13.738 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.072 10.895 -13.232 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.263 10.419 -14.712 1.00 0.00 H new ATOM 1424 N LYS A 94 4.217 14.062 -15.823 1.00 0.00 N ATOM 1425 CA LYS A 94 3.482 14.539 -16.953 1.00 0.00 C ATOM 1426 C LYS A 94 4.086 14.340 -18.300 1.00 0.00 C ATOM 1427 O LYS A 94 3.416 14.081 -19.299 1.00 0.00 O ATOM 1428 CB LYS A 94 3.317 16.057 -16.774 1.00 0.00 C ATOM 1429 CG LYS A 94 2.372 16.713 -17.783 1.00 0.00 C ATOM 1430 CD LYS A 94 2.484 18.224 -17.570 1.00 0.00 C ATOM 1431 CE LYS A 94 1.882 19.074 -18.691 1.00 0.00 C ATOM 1432 NZ LYS A 94 0.417 19.103 -18.480 1.00 0.00 N ATOM 0 H LYS A 94 4.664 14.811 -15.295 1.00 0.00 H new ATOM 0 HA LYS A 94 2.564 13.951 -16.956 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.948 16.254 -15.767 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.297 16.528 -16.852 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.647 16.444 -18.803 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.347 16.375 -17.630 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.992 18.482 -16.632 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.537 18.485 -17.460 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.293 20.083 -18.672 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.122 18.650 -19.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.051 19.447 -19.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.079 18.144 -18.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.193 19.738 -17.688 1.00 0.00 H new ATOM 1446 N ASP A 95 5.400 14.597 -18.431 1.00 0.00 N ATOM 1447 CA ASP A 95 6.129 14.608 -19.661 1.00 0.00 C ATOM 1448 C ASP A 95 6.323 13.233 -20.202 1.00 0.00 C ATOM 1449 O ASP A 95 6.235 12.960 -21.398 1.00 0.00 O ATOM 1450 CB ASP A 95 7.419 15.419 -19.454 1.00 0.00 C ATOM 1451 CG ASP A 95 8.150 15.166 -18.144 1.00 0.00 C ATOM 1452 OD1 ASP A 95 8.295 14.011 -17.662 1.00 0.00 O ATOM 1453 OD2 ASP A 95 8.727 16.131 -17.574 1.00 0.00 O ATOM 0 H ASP A 95 5.990 14.810 -17.626 1.00 0.00 H new ATOM 0 HA ASP A 95 5.559 15.108 -20.445 1.00 0.00 H new ATOM 0 HB2 ASP A 95 8.100 15.202 -20.277 1.00 0.00 H new ATOM 0 HB3 ASP A 95 7.174 16.479 -19.514 1.00 0.00 H new ATOM 1458 N GLY A 96 6.797 12.323 -19.333 1.00 0.00 N ATOM 1459 CA GLY A 96 7.024 10.950 -19.664 1.00 0.00 C ATOM 1460 C GLY A 96 8.396 10.412 -19.448 1.00 0.00 C ATOM 1461 O GLY A 96 8.711 9.233 -19.602 1.00 0.00 O ATOM 0 H GLY A 96 7.030 12.550 -18.366 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.329 10.344 -19.083 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.768 10.810 -20.714 1.00 0.00 H new ATOM 1465 N ASN A 97 9.345 11.218 -18.939 1.00 0.00 N ATOM 1466 CA ASN A 97 10.685 10.807 -18.652 1.00 0.00 C ATOM 1467 C ASN A 97 10.891 9.913 -17.478 1.00 0.00 C ATOM 1468 O ASN A 97 11.920 9.244 -17.395 1.00 0.00 O ATOM 1469 CB ASN A 97 11.633 12.017 -18.710 1.00 0.00 C ATOM 1470 CG ASN A 97 11.466 13.012 -17.571 1.00 0.00 C ATOM 1471 OD1 ASN A 97 10.829 12.864 -16.528 1.00 0.00 O ATOM 1472 ND2 ASN A 97 12.232 14.126 -17.717 1.00 0.00 N ATOM 0 H ASN A 97 9.171 12.198 -18.718 1.00 0.00 H new ATOM 0 HA ASN A 97 10.950 10.117 -19.453 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.661 11.656 -18.711 1.00 0.00 H new ATOM 0 HB3 ASN A 97 11.478 12.538 -19.655 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.271 14.820 -16.970 1.00 0.00 H new ATOM 0 HD22 ASN A 97 12.768 14.268 -18.573 1.00 0.00 H new ATOM 1479 N GLY A 98 9.995 9.948 -16.475 1.00 0.00 N ATOM 1480 CA GLY A 98 10.052 9.071 -15.347 1.00 0.00 C ATOM 1481 C GLY A 98 10.422 9.752 -14.073 1.00 0.00 C ATOM 1482 O GLY A 98 10.417 9.201 -12.974 1.00 0.00 O ATOM 0 H GLY A 98 9.212 10.602 -16.448 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.081 8.591 -15.223 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.775 8.281 -15.549 1.00 0.00 H new ATOM 1486 N TYR A 99 10.724 11.062 -14.086 1.00 0.00 N ATOM 1487 CA TYR A 99 11.061 11.831 -12.928 1.00 0.00 C ATOM 1488 C TYR A 99 10.172 12.983 -12.607 1.00 0.00 C ATOM 1489 O TYR A 99 9.948 13.894 -13.402 1.00 0.00 O ATOM 1490 CB TYR A 99 12.488 12.364 -13.136 1.00 0.00 C ATOM 1491 CG TYR A 99 13.476 11.253 -13.241 1.00 0.00 C ATOM 1492 CD1 TYR A 99 13.874 10.631 -14.401 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.184 10.980 -12.095 1.00 0.00 C ATOM 1494 CE1 TYR A 99 14.822 9.635 -14.392 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.133 9.986 -12.061 1.00 0.00 C ATOM 1496 CZ TYR A 99 15.453 9.309 -13.214 1.00 0.00 C ATOM 1497 OH TYR A 99 16.331 8.205 -13.209 1.00 0.00 O ATOM 0 H TYR A 99 10.734 11.612 -14.945 1.00 0.00 H new ATOM 0 HA TYR A 99 10.950 11.155 -12.081 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.523 12.970 -14.041 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.759 13.016 -12.305 1.00 0.00 H new ATOM 0 HD1 TYR A 99 13.432 10.931 -15.340 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.991 11.558 -11.203 1.00 0.00 H new ATOM 0 HE1 TYR A 99 15.070 9.112 -15.304 1.00 0.00 H new ATOM 0 HE2 TYR A 99 15.625 9.738 -11.132 1.00 0.00 H new ATOM 0 HH TYR A 99 16.707 8.090 -12.311 1.00 0.00 H new ATOM 1507 N ILE A 100 9.501 12.906 -11.444 1.00 0.00 N ATOM 1508 CA ILE A 100 8.580 13.893 -10.971 1.00 0.00 C ATOM 1509 C ILE A 100 9.331 15.060 -10.428 1.00 0.00 C ATOM 1510 O ILE A 100 10.070 14.984 -9.448 1.00 0.00 O ATOM 1511 CB ILE A 100 7.614 13.414 -9.928 1.00 0.00 C ATOM 1512 CG1 ILE A 100 6.830 12.175 -10.393 1.00 0.00 C ATOM 1513 CG2 ILE A 100 6.602 14.518 -9.576 1.00 0.00 C ATOM 1514 CD1 ILE A 100 6.095 11.392 -9.306 1.00 0.00 C ATOM 0 H ILE A 100 9.605 12.119 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 100 7.979 14.163 -11.840 1.00 0.00 H new ATOM 0 HB ILE A 100 8.209 13.151 -9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.101 12.491 -11.139 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.524 11.499 -10.892 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.911 14.150 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.133 15.389 -9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.044 14.799 -10.470 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.580 10.543 -9.755 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.812 11.033 -8.568 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.368 12.041 -8.819 1.00 0.00 H new ATOM 1526 N SER A 101 9.254 16.274 -11.000 1.00 0.00 N ATOM 1527 CA SER A 101 9.774 17.450 -10.375 1.00 0.00 C ATOM 1528 C SER A 101 8.738 18.131 -9.550 1.00 0.00 C ATOM 1529 O SER A 101 7.540 17.879 -9.675 1.00 0.00 O ATOM 1530 CB SER A 101 10.348 18.296 -11.525 1.00 0.00 C ATOM 1531 OG SER A 101 9.315 18.827 -12.341 1.00 0.00 O ATOM 0 H SER A 101 8.825 16.442 -11.910 1.00 0.00 H new ATOM 0 HA SER A 101 10.561 17.238 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.946 19.110 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.015 17.684 -12.132 1.00 0.00 H new ATOM 0 HG SER A 101 8.987 18.131 -12.947 1.00 0.00 H new ATOM 1537 N ALA A 102 9.187 19.036 -8.662 1.00 0.00 N ATOM 1538 CA ALA A 102 8.171 19.770 -7.973 1.00 0.00 C ATOM 1539 C ALA A 102 7.063 20.516 -8.633 1.00 0.00 C ATOM 1540 O ALA A 102 5.993 20.739 -8.067 1.00 0.00 O ATOM 1541 CB ALA A 102 8.931 20.752 -7.065 1.00 0.00 C ATOM 0 H ALA A 102 10.158 19.249 -8.434 1.00 0.00 H new ATOM 0 HA ALA A 102 7.577 18.964 -7.542 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.217 21.353 -6.501 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.562 20.194 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.553 21.406 -7.676 1.00 0.00 H new ATOM 1547 N ALA A 103 7.277 20.818 -9.926 1.00 0.00 N ATOM 1548 CA ALA A 103 6.307 21.461 -10.757 1.00 0.00 C ATOM 1549 C ALA A 103 5.257 20.549 -11.292 1.00 0.00 C ATOM 1550 O ALA A 103 4.086 20.872 -11.487 1.00 0.00 O ATOM 1551 CB ALA A 103 6.949 22.270 -11.896 1.00 0.00 C ATOM 0 H ALA A 103 8.151 20.609 -10.408 1.00 0.00 H new ATOM 0 HA ALA A 103 5.801 22.154 -10.085 1.00 0.00 H new ATOM 0 HB1 ALA A 103 6.168 22.737 -12.496 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.594 23.042 -11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.541 21.606 -12.525 1.00 0.00 H new ATOM 1557 N GLU A 104 5.591 19.280 -11.590 1.00 0.00 N ATOM 1558 CA GLU A 104 4.656 18.254 -11.933 1.00 0.00 C ATOM 1559 C GLU A 104 3.884 17.890 -10.712 1.00 0.00 C ATOM 1560 O GLU A 104 2.678 17.699 -10.857 1.00 0.00 O ATOM 1561 CB GLU A 104 5.492 17.066 -12.438 1.00 0.00 C ATOM 1562 CG GLU A 104 6.330 17.532 -13.630 1.00 0.00 C ATOM 1563 CD GLU A 104 7.340 16.541 -14.189 1.00 0.00 C ATOM 1564 OE1 GLU A 104 6.930 15.693 -15.026 1.00 0.00 O ATOM 1565 OE2 GLU A 104 8.561 16.639 -13.894 1.00 0.00 O ATOM 0 H GLU A 104 6.558 18.955 -11.592 1.00 0.00 H new ATOM 0 HA GLU A 104 3.945 18.567 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.138 16.693 -11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.841 16.243 -12.732 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.650 17.813 -14.434 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.866 18.434 -13.336 1.00 0.00 H new ATOM 1572 N LEU A 105 4.455 17.856 -9.494 1.00 0.00 N ATOM 1573 CA LEU A 105 3.767 17.786 -8.243 1.00 0.00 C ATOM 1574 C LEU A 105 2.873 18.924 -7.888 1.00 0.00 C ATOM 1575 O LEU A 105 1.822 18.714 -7.285 1.00 0.00 O ATOM 1576 CB LEU A 105 4.693 17.406 -7.075 1.00 0.00 C ATOM 1577 CG LEU A 105 4.044 16.672 -5.889 1.00 0.00 C ATOM 1578 CD1 LEU A 105 3.725 15.207 -6.231 1.00 0.00 C ATOM 1579 CD2 LEU A 105 5.040 16.693 -4.717 1.00 0.00 C ATOM 0 H LEU A 105 5.468 17.879 -9.377 1.00 0.00 H new ATOM 0 HA LEU A 105 3.068 16.968 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.494 16.779 -7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.157 18.318 -6.698 1.00 0.00 H new ATOM 0 HG LEU A 105 3.109 17.173 -5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.268 14.723 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.035 15.172 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.646 14.686 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.605 16.178 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.961 16.190 -5.013 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.261 17.725 -4.446 1.00 0.00 H new ATOM 1591 N ARG A 106 3.110 20.163 -8.354 1.00 0.00 N ATOM 1592 CA ARG A 106 2.126 21.192 -8.219 1.00 0.00 C ATOM 1593 C ARG A 106 1.072 21.189 -9.271 1.00 0.00 C ATOM 1594 O ARG A 106 -0.108 21.345 -8.961 1.00 0.00 O ATOM 1595 CB ARG A 106 2.796 22.576 -8.220 1.00 0.00 C ATOM 1596 CG ARG A 106 1.973 23.754 -7.693 1.00 0.00 C ATOM 1597 CD ARG A 106 2.932 24.915 -7.419 1.00 0.00 C ATOM 1598 NE ARG A 106 2.273 26.135 -6.875 1.00 0.00 N ATOM 1599 CZ ARG A 106 2.804 27.185 -6.184 1.00 0.00 C ATOM 1600 NH1 ARG A 106 4.122 27.535 -6.244 1.00 0.00 N ATOM 1601 NH2 ARG A 106 2.005 28.106 -5.568 1.00 0.00 N ATOM 0 H ARG A 106 3.971 20.450 -8.819 1.00 0.00 H new ATOM 0 HA ARG A 106 1.633 20.981 -7.270 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.708 22.510 -7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.096 22.805 -9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.217 24.048 -8.422 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.445 23.473 -6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.695 24.583 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.444 25.175 -8.345 1.00 0.00 H new ATOM 0 HE ARG A 106 1.269 26.195 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.765 27.001 -6.828 1.00 0.00 H new ATOM 0 HH12 ARG A 106 4.463 28.331 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.990 28.016 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.423 28.883 -5.057 1.00 0.00 H new ATOM 1615 N HIS A 107 1.480 21.088 -10.549 1.00 0.00 N ATOM 1616 CA HIS A 107 0.598 21.258 -11.661 1.00 0.00 C ATOM 1617 C HIS A 107 -0.550 20.308 -11.648 1.00 0.00 C ATOM 1618 O HIS A 107 -1.671 20.635 -12.033 1.00 0.00 O ATOM 1619 CB HIS A 107 1.445 21.094 -12.935 1.00 0.00 C ATOM 1620 CG HIS A 107 0.623 20.940 -14.180 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -0.066 22.029 -14.675 1.00 0.00 N ATOM 1622 CD2 HIS A 107 0.355 19.921 -15.040 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -0.740 21.593 -15.773 1.00 0.00 C ATOM 1624 NE2 HIS A 107 -0.506 20.322 -16.041 1.00 0.00 N ATOM 0 H HIS A 107 2.443 20.884 -10.815 1.00 0.00 H new ATOM 0 HA HIS A 107 0.143 22.247 -11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.097 21.961 -13.043 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.090 20.222 -12.824 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.069 22.975 -14.293 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.764 18.925 -14.951 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -1.395 22.218 -16.361 1.00 0.00 H new ATOM 1632 N VAL A 108 -0.160 19.042 -11.416 1.00 0.00 N ATOM 1633 CA VAL A 108 -1.159 18.019 -11.455 1.00 0.00 C ATOM 1634 C VAL A 108 -2.075 18.046 -10.280 1.00 0.00 C ATOM 1635 O VAL A 108 -3.286 17.913 -10.456 1.00 0.00 O ATOM 1636 CB VAL A 108 -0.600 16.640 -11.638 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -1.715 15.624 -11.939 1.00 0.00 C ATOM 1638 CG2 VAL A 108 0.222 16.754 -12.933 1.00 0.00 C ATOM 0 H VAL A 108 0.792 18.736 -11.212 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.744 18.258 -12.343 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.054 16.317 -10.751 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.279 14.633 -12.067 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.423 15.605 -11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.234 15.913 -12.853 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.678 15.791 -13.160 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.432 17.049 -13.754 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.003 17.504 -12.804 1.00 0.00 H new ATOM 1648 N MET A 109 -1.568 18.581 -9.155 1.00 0.00 N ATOM 1649 CA MET A 109 -2.422 18.817 -8.033 1.00 0.00 C ATOM 1650 C MET A 109 -3.351 19.970 -8.203 1.00 0.00 C ATOM 1651 O MET A 109 -4.568 19.879 -8.043 1.00 0.00 O ATOM 1652 CB MET A 109 -1.681 18.944 -6.691 1.00 0.00 C ATOM 1653 CG MET A 109 -1.284 17.537 -6.240 1.00 0.00 C ATOM 1654 SD MET A 109 -0.639 17.718 -4.550 1.00 0.00 S ATOM 1655 CE MET A 109 -1.207 16.100 -3.953 1.00 0.00 C ATOM 0 H MET A 109 -0.592 18.845 -9.023 1.00 0.00 H new ATOM 0 HA MET A 109 -3.022 17.908 -7.998 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.798 19.573 -6.801 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.320 19.418 -5.946 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.141 16.864 -6.261 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.530 17.113 -6.903 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.920 15.976 -2.909 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.292 16.040 -4.041 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.751 15.311 -4.551 1.00 0.00 H new ATOM 1665 N THR A 110 -2.814 21.119 -8.649 1.00 0.00 N ATOM 1666 CA THR A 110 -3.667 22.197 -9.041 1.00 0.00 C ATOM 1667 C THR A 110 -4.582 21.894 -10.177 1.00 0.00 C ATOM 1668 O THR A 110 -5.623 22.549 -10.202 1.00 0.00 O ATOM 1669 CB THR A 110 -3.003 23.499 -9.380 1.00 0.00 C ATOM 1670 OG1 THR A 110 -1.878 23.370 -10.238 1.00 0.00 O ATOM 1671 CG2 THR A 110 -2.463 24.261 -8.159 1.00 0.00 C ATOM 0 H THR A 110 -1.814 21.300 -8.737 1.00 0.00 H new ATOM 0 HA THR A 110 -4.221 22.314 -8.110 1.00 0.00 H new ATOM 0 HB THR A 110 -3.818 24.037 -9.864 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.205 22.799 -9.812 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.998 25.191 -8.487 1.00 0.00 H new ATOM 0 HG22 THR A 110 -3.284 24.486 -7.478 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.724 23.647 -7.645 1.00 0.00 H new ATOM 1679 N ASN A 111 -4.349 20.977 -11.133 1.00 0.00 N ATOM 1680 CA ASN A 111 -5.275 20.621 -12.163 1.00 0.00 C ATOM 1681 C ASN A 111 -6.492 19.918 -11.669 1.00 0.00 C ATOM 1682 O ASN A 111 -7.616 20.182 -12.094 1.00 0.00 O ATOM 1683 CB ASN A 111 -4.511 19.800 -13.215 1.00 0.00 C ATOM 1684 CG ASN A 111 -5.288 19.852 -14.523 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -5.468 20.938 -15.073 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -5.942 18.747 -14.969 1.00 0.00 N ATOM 0 H ASN A 111 -3.472 20.459 -11.190 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.670 21.535 -12.607 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.507 20.202 -13.354 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -4.398 18.768 -12.882 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -6.582 18.818 -15.760 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -5.792 17.847 -14.513 1.00 0.00 H new ATOM 1693 N LEU A 112 -6.222 18.955 -10.770 1.00 0.00 N ATOM 1694 CA LEU A 112 -7.268 18.283 -10.063 1.00 0.00 C ATOM 1695 C LEU A 112 -8.011 19.188 -9.141 1.00 0.00 C ATOM 1696 O LEU A 112 -9.215 19.031 -8.945 1.00 0.00 O ATOM 1697 CB LEU A 112 -6.644 17.081 -9.334 1.00 0.00 C ATOM 1698 CG LEU A 112 -5.972 16.032 -10.236 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -5.170 15.064 -9.350 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -6.999 15.109 -10.913 1.00 0.00 C ATOM 0 H LEU A 112 -5.281 18.642 -10.533 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.022 17.934 -10.769 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.903 17.453 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.422 16.588 -8.752 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.382 16.586 -10.966 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.687 14.313 -9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.411 15.619 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.842 14.572 -8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.479 14.384 -11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.574 14.583 -10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.673 15.704 -11.529 1.00 0.00 H new ATOM 1712 N GLY A 113 -7.395 20.245 -8.584 1.00 0.00 N ATOM 1713 CA GLY A 113 -7.971 21.222 -7.713 1.00 0.00 C ATOM 1714 C GLY A 113 -7.374 21.367 -6.356 1.00 0.00 C ATOM 1715 O GLY A 113 -7.827 22.131 -5.505 1.00 0.00 O ATOM 0 H GLY A 113 -6.408 20.431 -8.759 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.917 22.190 -8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -9.028 20.985 -7.592 1.00 0.00 H new ATOM 1719 N GLU A 114 -6.340 20.545 -6.100 1.00 0.00 N ATOM 1720 CA GLU A 114 -5.704 20.496 -4.820 1.00 0.00 C ATOM 1721 C GLU A 114 -4.748 21.634 -4.725 1.00 0.00 C ATOM 1722 O GLU A 114 -3.938 21.756 -5.643 1.00 0.00 O ATOM 1723 CB GLU A 114 -4.999 19.138 -4.661 1.00 0.00 C ATOM 1724 CG GLU A 114 -4.582 18.910 -3.207 1.00 0.00 C ATOM 1725 CD GLU A 114 -5.732 18.553 -2.276 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -6.654 17.722 -2.491 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -5.741 19.266 -1.236 1.00 0.00 O ATOM 0 H GLU A 114 -5.941 19.907 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.431 20.590 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.665 18.337 -4.983 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.121 19.101 -5.306 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.842 18.111 -3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.095 19.811 -2.835 1.00 0.00 H new ATOM 1734 N LYS A 115 -4.855 22.543 -3.739 1.00 0.00 N ATOM 1735 CA LYS A 115 -4.090 23.750 -3.765 1.00 0.00 C ATOM 1736 C LYS A 115 -2.779 23.791 -3.056 1.00 0.00 C ATOM 1737 O LYS A 115 -2.728 23.752 -1.828 1.00 0.00 O ATOM 1738 CB LYS A 115 -4.957 24.896 -3.217 1.00 0.00 C ATOM 1739 CG LYS A 115 -6.282 25.102 -3.954 1.00 0.00 C ATOM 1740 CD LYS A 115 -7.258 26.063 -3.272 1.00 0.00 C ATOM 1741 CE LYS A 115 -8.487 26.543 -4.046 1.00 0.00 C ATOM 1742 NZ LYS A 115 -9.188 25.361 -4.597 1.00 0.00 N ATOM 0 H LYS A 115 -5.467 22.443 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.818 23.839 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.168 24.703 -2.165 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.383 25.822 -3.263 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.069 25.474 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.770 24.134 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -7.611 25.582 -2.360 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.694 26.945 -2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.151 27.105 -3.390 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.189 27.215 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -10.088 25.659 -5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.593 24.911 -5.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -9.376 24.681 -3.833 1.00 0.00 H new ATOM 1756 N LEU A 116 -1.580 23.799 -3.664 1.00 0.00 N ATOM 1757 CA LEU A 116 -0.309 23.796 -3.008 1.00 0.00 C ATOM 1758 C LEU A 116 0.242 25.180 -2.992 1.00 0.00 C ATOM 1759 O LEU A 116 0.231 26.002 -3.907 1.00 0.00 O ATOM 1760 CB LEU A 116 0.651 22.789 -3.662 1.00 0.00 C ATOM 1761 CG LEU A 116 0.251 21.304 -3.617 1.00 0.00 C ATOM 1762 CD1 LEU A 116 1.446 20.511 -4.170 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -0.121 20.599 -2.302 1.00 0.00 C ATOM 0 H LEU A 116 -1.493 23.808 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.434 23.470 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.778 23.073 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.625 22.891 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.689 21.315 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.212 19.446 -4.159 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.651 20.828 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.323 20.696 -3.550 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.369 19.557 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.723 20.644 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.981 21.096 -1.854 1.00 0.00 H new ATOM 1775 N THR A 117 0.775 25.532 -1.808 1.00 0.00 N ATOM 1776 CA THR A 117 1.716 26.601 -1.675 1.00 0.00 C ATOM 1777 C THR A 117 3.075 26.073 -1.982 1.00 0.00 C ATOM 1778 O THR A 117 3.238 24.860 -2.103 1.00 0.00 O ATOM 1779 CB THR A 117 1.749 27.142 -0.277 1.00 0.00 C ATOM 1780 OG1 THR A 117 2.199 26.323 0.793 1.00 0.00 O ATOM 1781 CG2 THR A 117 0.380 27.720 0.120 1.00 0.00 C ATOM 0 H THR A 117 0.549 25.067 -0.929 1.00 0.00 H new ATOM 0 HA THR A 117 1.419 27.398 -2.356 1.00 0.00 H new ATOM 0 HB THR A 117 2.538 27.886 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 117 1.591 25.562 0.901 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.429 28.106 1.138 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.114 28.528 -0.562 1.00 0.00 H new ATOM 0 HG23 THR A 117 -0.376 26.936 0.066 1.00 0.00 H new ATOM 1789 N ASP A 118 4.083 26.960 -2.055 1.00 0.00 N ATOM 1790 CA ASP A 118 5.473 26.715 -2.286 1.00 0.00 C ATOM 1791 C ASP A 118 6.049 25.713 -1.347 1.00 0.00 C ATOM 1792 O ASP A 118 6.645 24.693 -1.688 1.00 0.00 O ATOM 1793 CB ASP A 118 6.395 27.946 -2.286 1.00 0.00 C ATOM 1794 CG ASP A 118 5.915 29.035 -3.235 1.00 0.00 C ATOM 1795 OD1 ASP A 118 4.961 29.751 -2.829 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.513 29.107 -4.341 1.00 0.00 O ATOM 0 H ASP A 118 3.901 27.957 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 118 5.454 26.330 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.456 28.350 -1.276 1.00 0.00 H new ATOM 0 HB3 ASP A 118 7.403 27.641 -2.568 1.00 0.00 H new ATOM 1801 N GLU A 119 5.698 25.906 -0.063 1.00 0.00 N ATOM 1802 CA GLU A 119 6.276 25.232 1.058 1.00 0.00 C ATOM 1803 C GLU A 119 5.762 23.843 1.228 1.00 0.00 C ATOM 1804 O GLU A 119 6.451 22.978 1.767 1.00 0.00 O ATOM 1805 CB GLU A 119 5.987 26.028 2.342 1.00 0.00 C ATOM 1806 CG GLU A 119 6.715 27.359 2.533 1.00 0.00 C ATOM 1807 CD GLU A 119 8.222 27.247 2.717 1.00 0.00 C ATOM 1808 OE1 GLU A 119 8.804 26.194 3.090 1.00 0.00 O ATOM 1809 OE2 GLU A 119 8.884 28.311 2.583 1.00 0.00 O ATOM 0 H GLU A 119 4.971 26.569 0.207 1.00 0.00 H new ATOM 0 HA GLU A 119 7.348 25.167 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.915 26.223 2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 119 6.226 25.390 3.193 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.516 27.992 1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.294 27.865 3.402 1.00 0.00 H new ATOM 1816 N GLU A 120 4.518 23.542 0.816 1.00 0.00 N ATOM 1817 CA GLU A 120 3.816 22.304 0.679 1.00 0.00 C ATOM 1818 C GLU A 120 4.470 21.460 -0.360 1.00 0.00 C ATOM 1819 O GLU A 120 4.994 20.402 -0.014 1.00 0.00 O ATOM 1820 CB GLU A 120 2.331 22.453 0.310 1.00 0.00 C ATOM 1821 CG GLU A 120 1.638 22.909 1.596 1.00 0.00 C ATOM 1822 CD GLU A 120 0.237 23.475 1.416 1.00 0.00 C ATOM 1823 OE1 GLU A 120 0.118 24.717 1.241 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -0.770 22.746 1.622 1.00 0.00 O ATOM 0 H GLU A 120 3.906 24.307 0.532 1.00 0.00 H new ATOM 0 HA GLU A 120 3.858 21.840 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 120 2.196 23.182 -0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.918 21.509 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 120 1.584 22.062 2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.259 23.666 2.075 1.00 0.00 H new ATOM 1831 N VAL A 121 4.564 21.891 -1.631 1.00 0.00 N ATOM 1832 CA VAL A 121 5.253 21.110 -2.611 1.00 0.00 C ATOM 1833 C VAL A 121 6.720 20.997 -2.372 1.00 0.00 C ATOM 1834 O VAL A 121 7.294 19.998 -2.801 1.00 0.00 O ATOM 1835 CB VAL A 121 4.814 21.712 -3.912 1.00 0.00 C ATOM 1836 CG1 VAL A 121 5.592 23.004 -4.214 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.988 20.707 -5.064 1.00 0.00 C ATOM 0 H VAL A 121 4.170 22.766 -1.976 1.00 0.00 H new ATOM 0 HA VAL A 121 4.998 20.051 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 121 3.757 21.961 -3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.253 23.419 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.417 23.728 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.657 22.781 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 121 4.663 21.165 -5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.037 20.424 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.387 19.820 -4.867 1.00 0.00 H new ATOM 1847 N ASP A 122 7.379 21.860 -1.578 1.00 0.00 N ATOM 1848 CA ASP A 122 8.738 21.693 -1.167 1.00 0.00 C ATOM 1849 C ASP A 122 8.921 20.556 -0.221 1.00 0.00 C ATOM 1850 O ASP A 122 9.696 19.636 -0.473 1.00 0.00 O ATOM 1851 CB ASP A 122 9.207 23.024 -0.555 1.00 0.00 C ATOM 1852 CG ASP A 122 10.726 23.049 -0.466 1.00 0.00 C ATOM 1853 OD1 ASP A 122 11.271 23.538 -1.491 1.00 0.00 O ATOM 1854 OD2 ASP A 122 11.400 22.671 0.529 1.00 0.00 O ATOM 0 H ASP A 122 6.948 22.707 -1.208 1.00 0.00 H new ATOM 0 HA ASP A 122 9.347 21.438 -2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 122 8.856 23.857 -1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 122 8.774 23.150 0.437 1.00 0.00 H new ATOM 1859 N GLU A 123 8.133 20.549 0.869 1.00 0.00 N ATOM 1860 CA GLU A 123 8.124 19.501 1.842 1.00 0.00 C ATOM 1861 C GLU A 123 7.871 18.225 1.115 1.00 0.00 C ATOM 1862 O GLU A 123 8.424 17.200 1.511 1.00 0.00 O ATOM 1863 CB GLU A 123 7.237 19.721 3.080 1.00 0.00 C ATOM 1864 CG GLU A 123 7.686 18.863 4.264 1.00 0.00 C ATOM 1865 CD GLU A 123 6.890 19.196 5.518 1.00 0.00 C ATOM 1866 OE1 GLU A 123 7.285 20.225 6.128 1.00 0.00 O ATOM 1867 OE2 GLU A 123 5.856 18.553 5.842 1.00 0.00 O ATOM 0 H GLU A 123 7.478 21.301 1.081 1.00 0.00 H new ATOM 0 HA GLU A 123 9.102 19.475 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 123 7.264 20.773 3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.202 19.484 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 123 7.561 17.808 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 123 8.748 19.023 4.451 1.00 0.00 H new ATOM 1874 N MET A 124 6.869 18.164 0.220 1.00 0.00 N ATOM 1875 CA MET A 124 6.548 16.913 -0.393 1.00 0.00 C ATOM 1876 C MET A 124 7.538 16.356 -1.358 1.00 0.00 C ATOM 1877 O MET A 124 7.786 15.153 -1.314 1.00 0.00 O ATOM 1878 CB MET A 124 5.180 17.164 -1.050 1.00 0.00 C ATOM 1879 CG MET A 124 3.991 17.153 -0.088 1.00 0.00 C ATOM 1880 SD MET A 124 2.338 17.335 -0.823 1.00 0.00 S ATOM 1881 CE MET A 124 2.304 15.872 -1.899 1.00 0.00 C ATOM 0 H MET A 124 6.296 18.955 -0.073 1.00 0.00 H new ATOM 0 HA MET A 124 6.549 16.131 0.367 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.209 18.128 -1.558 1.00 0.00 H new ATOM 0 HB3 MET A 124 5.016 16.405 -1.815 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.014 16.216 0.469 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.132 17.957 0.635 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.332 15.386 -1.821 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.476 16.176 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 124 3.084 15.176 -1.591 1.00 0.00 H new ATOM 1891 N ILE A 125 8.200 17.213 -2.156 1.00 0.00 N ATOM 1892 CA ILE A 125 9.392 16.828 -2.846 1.00 0.00 C ATOM 1893 C ILE A 125 10.540 16.494 -1.956 1.00 0.00 C ATOM 1894 O ILE A 125 11.407 15.701 -2.321 1.00 0.00 O ATOM 1895 CB ILE A 125 9.651 17.772 -3.982 1.00 0.00 C ATOM 1896 CG1 ILE A 125 10.124 17.009 -5.231 1.00 0.00 C ATOM 1897 CG2 ILE A 125 10.713 18.856 -3.733 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.971 16.381 -6.014 1.00 0.00 C ATOM 0 H ILE A 125 7.908 18.176 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 125 9.234 15.855 -3.311 1.00 0.00 H new ATOM 0 HB ILE A 125 8.686 18.264 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 125 10.670 17.691 -5.882 1.00 0.00 H new ATOM 0 HG13 ILE A 125 10.822 16.227 -4.931 1.00 0.00 H new ATOM 0 HG21 ILE A 125 10.814 19.478 -4.623 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.409 19.476 -2.890 1.00 0.00 H new ATOM 0 HG23 ILE A 125 11.670 18.384 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 125 9.365 15.856 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.439 15.676 -5.375 1.00 0.00 H new ATOM 0 HD13 ILE A 125 8.285 17.163 -6.342 1.00 0.00 H new ATOM 1910 N ARG A 126 10.726 17.166 -0.806 1.00 0.00 N ATOM 1911 CA ARG A 126 11.758 16.867 0.137 1.00 0.00 C ATOM 1912 C ARG A 126 11.488 15.560 0.800 1.00 0.00 C ATOM 1913 O ARG A 126 12.448 14.810 0.971 1.00 0.00 O ATOM 1914 CB ARG A 126 11.936 17.944 1.221 1.00 0.00 C ATOM 1915 CG ARG A 126 13.263 17.873 1.979 1.00 0.00 C ATOM 1916 CD ARG A 126 13.479 19.161 2.777 1.00 0.00 C ATOM 1917 NE ARG A 126 14.827 19.231 3.409 1.00 0.00 N ATOM 1918 CZ ARG A 126 15.499 20.400 3.616 1.00 0.00 C ATOM 1919 NH1 ARG A 126 14.820 21.560 3.377 1.00 0.00 N ATOM 1920 NH2 ARG A 126 16.739 20.443 4.186 1.00 0.00 N ATOM 0 H ARG A 126 10.135 17.947 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 126 12.683 16.829 -0.438 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.851 18.926 0.756 1.00 0.00 H new ATOM 0 HB3 ARG A 126 11.119 17.858 1.937 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.262 17.015 2.651 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.085 17.728 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 126 13.348 20.018 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 126 12.716 19.235 3.551 1.00 0.00 H new ATOM 0 HE ARG A 126 15.270 18.360 3.702 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.852 21.528 3.058 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.281 22.459 3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 126 17.198 19.579 4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 126 17.207 21.339 4.323 1.00 0.00 H new ATOM 1934 N GLU A 127 10.247 15.195 1.170 1.00 0.00 N ATOM 1935 CA GLU A 127 9.932 13.901 1.688 1.00 0.00 C ATOM 1936 C GLU A 127 10.221 12.880 0.641 1.00 0.00 C ATOM 1937 O GLU A 127 10.905 11.915 0.979 1.00 0.00 O ATOM 1938 CB GLU A 127 8.537 13.852 2.334 1.00 0.00 C ATOM 1939 CG GLU A 127 8.388 14.632 3.642 1.00 0.00 C ATOM 1940 CD GLU A 127 7.107 14.446 4.443 1.00 0.00 C ATOM 1941 OE1 GLU A 127 5.984 14.786 3.984 1.00 0.00 O ATOM 1942 OE2 GLU A 127 7.201 13.973 5.607 1.00 0.00 O ATOM 0 H GLU A 127 9.441 15.817 1.107 1.00 0.00 H new ATOM 0 HA GLU A 127 10.577 13.654 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 127 7.811 14.236 1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.279 12.810 2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.226 14.367 4.286 1.00 0.00 H new ATOM 0 HG3 GLU A 127 8.487 15.693 3.411 1.00 0.00 H new ATOM 1949 N ALA A 128 9.679 12.985 -0.585 1.00 0.00 N ATOM 1950 CA ALA A 128 9.767 11.988 -1.606 1.00 0.00 C ATOM 1951 C ALA A 128 11.071 11.782 -2.296 1.00 0.00 C ATOM 1952 O ALA A 128 11.469 10.628 -2.451 1.00 0.00 O ATOM 1953 CB ALA A 128 8.710 12.354 -2.661 1.00 0.00 C ATOM 0 H ALA A 128 9.152 13.808 -0.879 1.00 0.00 H new ATOM 0 HA ALA A 128 9.617 11.040 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 128 8.733 11.622 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 128 7.722 12.355 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 128 8.925 13.344 -3.063 1.00 0.00 H new ATOM 1959 N ASP A 129 11.847 12.876 -2.402 1.00 0.00 N ATOM 1960 CA ASP A 129 13.189 12.723 -2.871 1.00 0.00 C ATOM 1961 C ASP A 129 14.097 12.119 -1.856 1.00 0.00 C ATOM 1962 O ASP A 129 14.238 12.561 -0.716 1.00 0.00 O ATOM 1963 CB ASP A 129 13.682 14.057 -3.455 1.00 0.00 C ATOM 1964 CG ASP A 129 15.117 14.013 -3.962 1.00 0.00 C ATOM 1965 OD1 ASP A 129 15.487 13.069 -4.710 1.00 0.00 O ATOM 1966 OD2 ASP A 129 15.962 14.830 -3.508 1.00 0.00 O ATOM 0 H ASP A 129 11.562 13.828 -2.174 1.00 0.00 H new ATOM 0 HA ASP A 129 13.200 11.992 -3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 129 13.026 14.349 -4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 129 13.600 14.830 -2.691 1.00 0.00 H new ATOM 1971 N ILE A 130 14.880 11.113 -2.285 1.00 0.00 N ATOM 1972 CA ILE A 130 15.805 10.377 -1.481 1.00 0.00 C ATOM 1973 C ILE A 130 17.189 10.826 -1.805 1.00 0.00 C ATOM 1974 O ILE A 130 17.822 11.527 -1.017 1.00 0.00 O ATOM 1975 CB ILE A 130 15.503 8.907 -1.480 1.00 0.00 C ATOM 1976 CG1 ILE A 130 14.343 8.758 -0.482 1.00 0.00 C ATOM 1977 CG2 ILE A 130 16.679 8.061 -0.963 1.00 0.00 C ATOM 1978 CD1 ILE A 130 13.667 7.398 -0.311 1.00 0.00 C ATOM 0 H ILE A 130 14.865 10.795 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 130 15.696 10.600 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 130 15.286 8.565 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE A 130 14.713 9.064 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 130 13.571 9.472 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE A 130 16.405 7.006 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 130 17.550 8.223 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE A 130 16.916 8.354 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 130 12.873 7.477 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.243 7.080 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.402 6.665 0.022 1.00 0.00 H new ATOM 1990 N ASP A 131 17.749 10.460 -2.971 1.00 0.00 N ATOM 1991 CA ASP A 131 19.091 10.795 -3.335 1.00 0.00 C ATOM 1992 C ASP A 131 19.350 12.190 -3.789 1.00 0.00 C ATOM 1993 O ASP A 131 20.205 12.379 -4.653 1.00 0.00 O ATOM 1994 CB ASP A 131 19.708 9.802 -4.335 1.00 0.00 C ATOM 1995 CG ASP A 131 18.909 9.692 -5.625 1.00 0.00 C ATOM 1996 OD1 ASP A 131 17.851 10.367 -5.741 1.00 0.00 O ATOM 1997 OD2 ASP A 131 19.299 9.006 -6.608 1.00 0.00 O ATOM 0 H ASP A 131 17.256 9.917 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 131 19.592 10.717 -2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 131 20.726 10.114 -4.569 1.00 0.00 H new ATOM 0 HB3 ASP A 131 19.775 8.819 -3.869 1.00 0.00 H new ATOM 2002 N GLY A 132 18.738 13.251 -3.234 1.00 0.00 N ATOM 2003 CA GLY A 132 19.372 14.533 -3.225 1.00 0.00 C ATOM 2004 C GLY A 132 19.384 15.374 -4.455 1.00 0.00 C ATOM 2005 O GLY A 132 19.914 16.484 -4.446 1.00 0.00 O ATOM 0 H GLY A 132 17.817 13.224 -2.797 1.00 0.00 H new ATOM 0 HA2 GLY A 132 18.901 15.120 -2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 132 20.410 14.378 -2.930 1.00 0.00 H new ATOM 2009 N ASP A 133 18.866 14.884 -5.596 1.00 0.00 N ATOM 2010 CA ASP A 133 18.755 15.539 -6.862 1.00 0.00 C ATOM 2011 C ASP A 133 17.605 16.486 -6.919 1.00 0.00 C ATOM 2012 O ASP A 133 17.495 17.488 -7.622 1.00 0.00 O ATOM 2013 CB ASP A 133 18.902 14.618 -8.085 1.00 0.00 C ATOM 2014 CG ASP A 133 17.665 13.734 -8.146 1.00 0.00 C ATOM 2015 OD1 ASP A 133 17.563 12.835 -7.268 1.00 0.00 O ATOM 2016 OD2 ASP A 133 16.701 13.980 -8.919 1.00 0.00 O ATOM 0 H ASP A 133 18.489 13.937 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 133 19.644 16.165 -6.939 1.00 0.00 H new ATOM 0 HB2 ASP A 133 18.998 15.206 -8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 133 19.803 14.011 -8.001 1.00 0.00 H new ATOM 2021 N GLY A 134 16.555 16.091 -6.177 1.00 0.00 N ATOM 2022 CA GLY A 134 15.386 16.910 -6.096 1.00 0.00 C ATOM 2023 C GLY A 134 14.177 16.384 -6.790 1.00 0.00 C ATOM 2024 O GLY A 134 13.100 16.832 -6.399 1.00 0.00 O ATOM 0 H GLY A 134 16.514 15.223 -5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 134 15.142 17.059 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.622 17.890 -6.511 1.00 0.00 H new ATOM 2028 N GLN A 135 14.360 15.599 -7.867 1.00 0.00 N ATOM 2029 CA GLN A 135 13.262 14.952 -8.516 1.00 0.00 C ATOM 2030 C GLN A 135 13.068 13.617 -7.884 1.00 0.00 C ATOM 2031 O GLN A 135 13.863 13.046 -7.138 1.00 0.00 O ATOM 2032 CB GLN A 135 13.578 14.688 -9.998 1.00 0.00 C ATOM 2033 CG GLN A 135 13.780 15.996 -10.766 1.00 0.00 C ATOM 2034 CD GLN A 135 13.648 15.780 -12.267 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.603 15.999 -12.877 1.00 0.00 O ATOM 2036 NE2 GLN A 135 14.746 15.286 -12.900 1.00 0.00 N ATOM 0 H GLN A 135 15.270 15.412 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 135 12.385 15.593 -8.427 1.00 0.00 H new ATOM 0 HB2 GLN A 135 14.476 14.075 -10.077 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.764 14.121 -10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 135 13.046 16.731 -10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 135 14.765 16.405 -10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 135 15.603 15.112 -12.374 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.713 15.090 -13.900 1.00 0.00 H new ATOM 2045 N VAL A 136 11.783 13.272 -8.080 1.00 0.00 N ATOM 2046 CA VAL A 136 11.266 12.063 -7.517 1.00 0.00 C ATOM 2047 C VAL A 136 11.060 10.960 -8.497 1.00 0.00 C ATOM 2048 O VAL A 136 10.445 11.210 -9.532 1.00 0.00 O ATOM 2049 CB VAL A 136 9.999 12.363 -6.772 1.00 0.00 C ATOM 2050 CG1 VAL A 136 9.193 11.143 -6.295 1.00 0.00 C ATOM 2051 CG2 VAL A 136 10.318 13.238 -5.548 1.00 0.00 C ATOM 0 H VAL A 136 11.112 13.819 -8.619 1.00 0.00 H new ATOM 0 HA VAL A 136 12.030 11.688 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 136 9.367 12.871 -7.501 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.299 11.480 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.903 10.540 -7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.805 10.543 -5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 136 9.397 13.456 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 136 11.008 12.708 -4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 136 10.775 14.171 -5.877 1.00 0.00 H new ATOM 2061 N ASN A 137 11.655 9.773 -8.282 1.00 0.00 N ATOM 2062 CA ASN A 137 11.604 8.669 -9.190 1.00 0.00 C ATOM 2063 C ASN A 137 10.624 7.762 -8.531 1.00 0.00 C ATOM 2064 O ASN A 137 10.023 8.044 -7.496 1.00 0.00 O ATOM 2065 CB ASN A 137 13.034 8.135 -9.381 1.00 0.00 C ATOM 2066 CG ASN A 137 13.273 7.243 -10.591 1.00 0.00 C ATOM 2067 OD1 ASN A 137 12.386 7.059 -11.422 1.00 0.00 O ATOM 2068 ND2 ASN A 137 14.482 6.655 -10.794 1.00 0.00 N ATOM 0 H ASN A 137 12.195 9.574 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 137 11.275 8.866 -10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 137 13.710 8.988 -9.448 1.00 0.00 H new ATOM 0 HB3 ASN A 137 13.312 7.577 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 137 14.636 6.077 -11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 137 15.235 6.792 -10.120 1.00 0.00 H new ATOM 2075 N TYR A 138 10.307 6.659 -9.234 1.00 0.00 N ATOM 2076 CA TYR A 138 9.380 5.599 -8.988 1.00 0.00 C ATOM 2077 C TYR A 138 9.430 5.018 -7.616 1.00 0.00 C ATOM 2078 O TYR A 138 8.525 5.088 -6.786 1.00 0.00 O ATOM 2079 CB TYR A 138 9.467 4.590 -10.145 1.00 0.00 C ATOM 2080 CG TYR A 138 8.480 3.496 -9.930 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.136 3.768 -10.028 1.00 0.00 C ATOM 2082 CD2 TYR A 138 8.885 2.280 -9.431 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.157 2.902 -9.600 1.00 0.00 C ATOM 2084 CE2 TYR A 138 7.868 1.461 -9.001 1.00 0.00 C ATOM 2085 CZ TYR A 138 6.513 1.676 -9.089 1.00 0.00 C ATOM 2086 OH TYR A 138 5.569 0.751 -8.595 1.00 0.00 O ATOM 0 H TYR A 138 10.785 6.492 -10.119 1.00 0.00 H new ATOM 0 HA TYR A 138 8.372 6.014 -8.982 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.269 5.091 -11.093 1.00 0.00 H new ATOM 0 HB3 TYR A 138 10.474 4.178 -10.206 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.834 4.709 -10.463 1.00 0.00 H new ATOM 0 HD2 TYR A 138 9.924 1.990 -9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.116 3.183 -9.665 1.00 0.00 H new ATOM 0 HE2 TYR A 138 8.171 0.534 -8.537 1.00 0.00 H new ATOM 0 HH TYR A 138 6.032 -0.054 -8.281 1.00 0.00 H new ATOM 2096 N GLU A 139 10.575 4.440 -7.212 1.00 0.00 N ATOM 2097 CA GLU A 139 10.779 3.829 -5.935 1.00 0.00 C ATOM 2098 C GLU A 139 10.873 4.872 -4.875 1.00 0.00 C ATOM 2099 O GLU A 139 10.567 4.543 -3.730 1.00 0.00 O ATOM 2100 CB GLU A 139 11.978 2.866 -5.913 1.00 0.00 C ATOM 2101 CG GLU A 139 11.791 1.648 -6.819 1.00 0.00 C ATOM 2102 CD GLU A 139 12.801 0.545 -6.532 1.00 0.00 C ATOM 2103 OE1 GLU A 139 14.026 0.714 -6.775 1.00 0.00 O ATOM 2104 OE2 GLU A 139 12.488 -0.576 -6.050 1.00 0.00 O ATOM 0 H GLU A 139 11.402 4.397 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 139 9.909 3.206 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 139 12.874 3.405 -6.221 1.00 0.00 H new ATOM 0 HB3 GLU A 139 12.145 2.528 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 139 10.783 1.255 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 139 11.882 1.957 -7.860 1.00 0.00 H new ATOM 2111 N GLU A 140 11.224 6.144 -5.130 1.00 0.00 N ATOM 2112 CA GLU A 140 11.111 7.151 -4.121 1.00 0.00 C ATOM 2113 C GLU A 140 9.692 7.519 -3.851 1.00 0.00 C ATOM 2114 O GLU A 140 9.281 7.915 -2.761 1.00 0.00 O ATOM 2115 CB GLU A 140 11.846 8.347 -4.749 1.00 0.00 C ATOM 2116 CG GLU A 140 13.249 8.127 -5.317 1.00 0.00 C ATOM 2117 CD GLU A 140 14.035 9.384 -5.664 1.00 0.00 C ATOM 2118 OE1 GLU A 140 13.768 10.104 -6.663 1.00 0.00 O ATOM 2119 OE2 GLU A 140 14.943 9.754 -4.873 1.00 0.00 O ATOM 0 H GLU A 140 11.583 6.474 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 140 11.516 6.822 -3.164 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.220 8.735 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.914 9.128 -3.992 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.826 7.550 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.164 7.517 -6.216 1.00 0.00 H new ATOM 2126 N PHE A 141 8.816 7.452 -4.869 1.00 0.00 N ATOM 2127 CA PHE A 141 7.414 7.717 -4.780 1.00 0.00 C ATOM 2128 C PHE A 141 6.732 6.615 -4.045 1.00 0.00 C ATOM 2129 O PHE A 141 5.970 6.916 -3.128 1.00 0.00 O ATOM 2130 CB PHE A 141 6.849 7.980 -6.186 1.00 0.00 C ATOM 2131 CG PHE A 141 5.396 8.313 -6.194 1.00 0.00 C ATOM 2132 CD1 PHE A 141 4.915 9.579 -5.960 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.524 7.301 -6.519 1.00 0.00 C ATOM 2134 CE1 PHE A 141 3.568 9.836 -6.063 1.00 0.00 C ATOM 2135 CE2 PHE A 141 3.169 7.524 -6.604 1.00 0.00 C ATOM 2136 CZ PHE A 141 2.749 8.830 -6.517 1.00 0.00 C ATOM 0 H PHE A 141 9.106 7.197 -5.813 1.00 0.00 H new ATOM 0 HA PHE A 141 7.227 8.621 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.403 8.800 -6.643 1.00 0.00 H new ATOM 0 HB3 PHE A 141 7.014 7.098 -6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.596 10.374 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.910 6.311 -6.711 1.00 0.00 H new ATOM 0 HE1 PHE A 141 3.165 10.801 -5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 141 2.469 6.712 -6.733 1.00 0.00 H new ATOM 0 HZ PHE A 141 1.740 9.074 -6.816 1.00 0.00 H new ATOM 2146 N VAL A 142 6.943 5.325 -4.363 1.00 0.00 N ATOM 2147 CA VAL A 142 6.530 4.219 -3.555 1.00 0.00 C ATOM 2148 C VAL A 142 7.032 4.251 -2.153 1.00 0.00 C ATOM 2149 O VAL A 142 6.216 4.039 -1.257 1.00 0.00 O ATOM 2150 CB VAL A 142 6.973 2.945 -4.212 1.00 0.00 C ATOM 2151 CG1 VAL A 142 6.514 1.767 -3.337 1.00 0.00 C ATOM 2152 CG2 VAL A 142 6.315 2.861 -5.599 1.00 0.00 C ATOM 0 H VAL A 142 7.421 5.041 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 142 5.444 4.283 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 142 8.057 2.915 -4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 142 6.826 0.829 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 142 6.962 1.853 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 142 5.428 1.783 -3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 142 6.625 1.940 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 142 5.231 2.866 -5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 142 6.622 3.717 -6.200 1.00 0.00 H new ATOM 2162 N GLN A 143 8.313 4.425 -1.782 1.00 0.00 N ATOM 2163 CA GLN A 143 8.733 4.374 -0.417 1.00 0.00 C ATOM 2164 C GLN A 143 8.155 5.417 0.476 1.00 0.00 C ATOM 2165 O GLN A 143 7.869 5.204 1.653 1.00 0.00 O ATOM 2166 CB GLN A 143 10.250 4.279 -0.178 1.00 0.00 C ATOM 2167 CG GLN A 143 10.806 4.149 1.241 1.00 0.00 C ATOM 2168 CD GLN A 143 10.590 2.733 1.757 1.00 0.00 C ATOM 2169 OE1 GLN A 143 11.186 1.750 1.320 1.00 0.00 O ATOM 2170 NE2 GLN A 143 9.736 2.572 2.803 1.00 0.00 N ATOM 0 H GLN A 143 9.070 4.604 -2.442 1.00 0.00 H new ATOM 0 HA GLN A 143 8.300 3.415 -0.132 1.00 0.00 H new ATOM 0 HB2 GLN A 143 10.612 3.421 -0.745 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.702 5.167 -0.620 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.869 4.389 1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 143 10.314 4.864 1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 143 9.233 3.376 3.179 1.00 0.00 H new ATOM 0 HE22 GLN A 143 9.599 1.648 3.212 1.00 0.00 H new ATOM 2179 N MET A 144 7.786 6.590 -0.071 1.00 0.00 N ATOM 2180 CA MET A 144 6.946 7.499 0.645 1.00 0.00 C ATOM 2181 C MET A 144 5.551 7.060 0.933 1.00 0.00 C ATOM 2182 O MET A 144 4.985 7.388 1.975 1.00 0.00 O ATOM 2183 CB MET A 144 6.929 8.921 0.059 1.00 0.00 C ATOM 2184 CG MET A 144 6.237 10.061 0.808 1.00 0.00 C ATOM 2185 SD MET A 144 6.250 11.674 -0.030 1.00 0.00 S ATOM 2186 CE MET A 144 5.220 11.254 -1.466 1.00 0.00 C ATOM 0 H MET A 144 8.066 6.906 -0.999 1.00 0.00 H new ATOM 0 HA MET A 144 7.450 7.507 1.611 1.00 0.00 H new ATOM 0 HB2 MET A 144 7.966 9.219 -0.093 1.00 0.00 H new ATOM 0 HB3 MET A 144 6.468 8.857 -0.927 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.201 9.775 0.991 1.00 0.00 H new ATOM 0 HG3 MET A 144 6.713 10.174 1.782 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.834 12.168 -1.917 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.820 10.714 -2.199 1.00 0.00 H new ATOM 0 HE3 MET A 144 4.388 10.627 -1.146 1.00 0.00 H new ATOM 2196 N MET A 145 4.962 6.214 0.070 1.00 0.00 N ATOM 2197 CA MET A 145 3.664 5.630 0.209 1.00 0.00 C ATOM 2198 C MET A 145 3.592 4.481 1.155 1.00 0.00 C ATOM 2199 O MET A 145 2.537 4.164 1.701 1.00 0.00 O ATOM 2200 CB MET A 145 3.191 5.241 -1.202 1.00 0.00 C ATOM 2201 CG MET A 145 2.943 6.424 -2.141 1.00 0.00 C ATOM 2202 SD MET A 145 2.085 6.098 -3.710 1.00 0.00 S ATOM 2203 CE MET A 145 0.405 6.148 -3.024 1.00 0.00 C ATOM 0 H MET A 145 5.428 5.917 -0.787 1.00 0.00 H new ATOM 0 HA MET A 145 3.003 6.368 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.937 4.586 -1.653 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.271 4.664 -1.116 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.367 7.171 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.908 6.874 -2.375 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.318 5.970 -3.820 1.00 0.00 H new ATOM 0 HE2 MET A 145 0.301 5.378 -2.260 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.222 7.127 -2.580 1.00 0.00 H new