USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 36 MET CE :methyl -177:sc= -0.519 (180deg=-0.525) USER MOD Set 1.2: A 72 MET CE :methyl -111:sc= -1.35 (180deg=-2.42!) USER MOD Set 2.1: A 5 THR OG1 : rot 42:sc= 0.837 USER MOD Set 2.2: A 8 GLN : amide:sc= -0.353 K(o=0.48,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.365 X(o=0.37,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.0695 K(o=0.07,f=-1.1) USER MOD Single : A 26 SER OG : rot 38:sc= 0.106 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 124:sc= 1.27 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.132 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 52 MET CE :methyl -127:sc= -0.811 (180deg=-2.66!) USER MOD Single : A 53 ASN :FLIP amide:sc= 0.578 F(o=-0.0021,f=0.58) USER MOD Single : A 60 ASN : amide:sc= -0.423 K(o=-0.42,f=-3.9!) USER MOD Single : A 61 HIS : no HE2:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.105 -7.101 -14.381 1.00 0.00 N ATOM 59 CA THR A 5 -11.319 -7.947 -14.190 1.00 0.00 C ATOM 60 C THR A 5 -11.318 -8.561 -12.788 1.00 0.00 C ATOM 61 O THR A 5 -10.553 -8.168 -11.929 1.00 0.00 O ATOM 62 CB THR A 5 -11.212 -9.041 -15.254 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.418 -8.573 -16.335 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.609 -9.399 -15.762 1.00 0.00 C ATOM 0 HA THR A 5 -12.241 -7.374 -14.286 1.00 0.00 H new ATOM 0 HB THR A 5 -10.748 -9.926 -14.819 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.643 -8.086 -15.985 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.532 -10.178 -16.520 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.217 -9.759 -14.932 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.076 -8.515 -16.197 1.00 0.00 H new ATOM 72 N GLU A 6 -12.169 -9.521 -12.548 1.00 0.00 N ATOM 73 CA GLU A 6 -12.213 -10.156 -11.199 1.00 0.00 C ATOM 74 C GLU A 6 -10.911 -10.917 -10.931 1.00 0.00 C ATOM 75 O GLU A 6 -10.338 -10.829 -9.863 1.00 0.00 O ATOM 76 CB GLU A 6 -13.400 -11.119 -11.250 1.00 0.00 C ATOM 77 CG GLU A 6 -13.159 -12.177 -12.328 1.00 0.00 C ATOM 78 CD GLU A 6 -14.449 -12.962 -12.571 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.426 -12.348 -12.970 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.438 -14.163 -12.358 1.00 0.00 O ATOM 0 H GLU A 6 -12.835 -9.893 -13.226 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.321 -9.422 -10.400 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -13.534 -11.598 -10.280 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.317 -10.570 -11.464 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.831 -11.701 -13.252 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -12.363 -12.853 -12.017 1.00 0.00 H new ATOM 87 N GLU A 7 -10.436 -11.659 -11.893 1.00 0.00 N ATOM 88 CA GLU A 7 -9.169 -12.419 -11.690 1.00 0.00 C ATOM 89 C GLU A 7 -7.993 -11.447 -11.571 1.00 0.00 C ATOM 90 O GLU A 7 -7.087 -11.646 -10.784 1.00 0.00 O ATOM 91 CB GLU A 7 -9.022 -13.289 -12.939 1.00 0.00 C ATOM 92 CG GLU A 7 -9.360 -14.741 -12.592 1.00 0.00 C ATOM 93 CD GLU A 7 -8.079 -15.576 -12.583 1.00 0.00 C ATOM 94 OE1 GLU A 7 -7.483 -15.723 -13.638 1.00 0.00 O ATOM 95 OE2 GLU A 7 -7.714 -16.054 -11.521 1.00 0.00 O ATOM 0 H GLU A 7 -10.869 -11.772 -12.810 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.185 -13.018 -10.780 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.684 -12.928 -13.726 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.004 -13.223 -13.323 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.845 -14.789 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.065 -15.145 -13.319 1.00 0.00 H new ATOM 102 N GLN A 8 -8.001 -10.394 -12.342 1.00 0.00 N ATOM 103 CA GLN A 8 -6.886 -9.409 -12.266 1.00 0.00 C ATOM 104 C GLN A 8 -6.777 -8.860 -10.843 1.00 0.00 C ATOM 105 O GLN A 8 -5.732 -8.914 -10.224 1.00 0.00 O ATOM 106 CB GLN A 8 -7.271 -8.298 -13.244 1.00 0.00 C ATOM 107 CG GLN A 8 -6.004 -7.681 -13.839 1.00 0.00 C ATOM 108 CD GLN A 8 -5.870 -8.102 -15.304 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.816 -8.579 -15.899 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.728 -7.944 -15.914 1.00 0.00 N ATOM 0 H GLN A 8 -8.730 -10.174 -13.020 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.921 -9.850 -12.515 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.900 -8.700 -14.038 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.854 -7.533 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.046 -6.594 -13.764 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.129 -8.005 -13.275 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.934 -7.544 -15.414 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.629 -8.221 -16.891 1.00 0.00 H new ATOM 119 N ILE A 9 -7.851 -8.338 -10.316 1.00 0.00 N ATOM 120 CA ILE A 9 -7.809 -7.795 -8.929 1.00 0.00 C ATOM 121 C ILE A 9 -7.324 -8.878 -7.963 1.00 0.00 C ATOM 122 O ILE A 9 -6.613 -8.607 -7.016 1.00 0.00 O ATOM 123 CB ILE A 9 -9.252 -7.400 -8.614 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.719 -6.338 -9.613 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.329 -6.833 -7.196 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.136 -5.888 -9.255 1.00 0.00 C ATOM 0 H ILE A 9 -8.754 -8.264 -10.785 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.128 -6.949 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.893 -8.278 -8.689 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.040 -5.485 -9.597 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.699 -6.742 -10.625 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.358 -6.552 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.996 -7.588 -6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.688 -5.955 -7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.468 -5.132 -9.966 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.810 -6.744 -9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.141 -5.467 -8.250 1.00 0.00 H new ATOM 138 N ALA A 10 -7.700 -10.105 -8.201 1.00 0.00 N ATOM 139 CA ALA A 10 -7.257 -11.209 -7.304 1.00 0.00 C ATOM 140 C ALA A 10 -5.728 -11.241 -7.232 1.00 0.00 C ATOM 141 O ALA A 10 -5.143 -11.124 -6.173 1.00 0.00 O ATOM 142 CB ALA A 10 -7.793 -12.485 -7.954 1.00 0.00 C ATOM 0 H ALA A 10 -8.295 -10.390 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.622 -11.090 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.508 -13.348 -7.352 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.880 -12.431 -8.019 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.374 -12.587 -8.955 1.00 0.00 H new ATOM 148 N GLU A 11 -5.077 -11.394 -8.353 1.00 0.00 N ATOM 149 CA GLU A 11 -3.587 -11.427 -8.348 1.00 0.00 C ATOM 150 C GLU A 11 -3.042 -10.176 -7.655 1.00 0.00 C ATOM 151 O GLU A 11 -2.022 -10.215 -6.994 1.00 0.00 O ATOM 152 CB GLU A 11 -3.185 -11.444 -9.824 1.00 0.00 C ATOM 153 CG GLU A 11 -3.021 -12.891 -10.292 1.00 0.00 C ATOM 154 CD GLU A 11 -1.870 -13.548 -9.530 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.901 -12.861 -9.253 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.978 -14.727 -9.235 1.00 0.00 O ATOM 0 H GLU A 11 -5.511 -11.497 -9.270 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.191 -12.289 -7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.943 -10.940 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.252 -10.897 -9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.945 -13.445 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.823 -12.917 -11.364 1.00 0.00 H new ATOM 163 N PHE A 12 -3.716 -9.068 -7.798 1.00 0.00 N ATOM 164 CA PHE A 12 -3.240 -7.816 -7.145 1.00 0.00 C ATOM 165 C PHE A 12 -3.277 -7.975 -5.623 1.00 0.00 C ATOM 166 O PHE A 12 -2.356 -7.596 -4.928 1.00 0.00 O ATOM 167 CB PHE A 12 -4.224 -6.735 -7.594 1.00 0.00 C ATOM 168 CG PHE A 12 -3.848 -6.249 -8.974 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.660 -7.167 -10.014 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.688 -4.879 -9.213 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.313 -6.716 -11.293 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.340 -4.427 -10.492 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.152 -5.346 -11.531 1.00 0.00 C ATOM 0 H PHE A 12 -4.576 -8.976 -8.339 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.214 -7.569 -7.418 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.239 -7.133 -7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.213 -5.904 -6.889 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.783 -8.224 -9.829 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.833 -4.170 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.170 -7.424 -12.095 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.217 -3.370 -10.677 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.882 -4.998 -12.517 1.00 0.00 H new ATOM 183 N LYS A 13 -4.333 -8.538 -5.102 1.00 0.00 N ATOM 184 CA LYS A 13 -4.425 -8.726 -3.626 1.00 0.00 C ATOM 185 C LYS A 13 -3.238 -9.554 -3.131 1.00 0.00 C ATOM 186 O LYS A 13 -2.542 -9.172 -2.211 1.00 0.00 O ATOM 187 CB LYS A 13 -5.737 -9.477 -3.401 1.00 0.00 C ATOM 188 CG LYS A 13 -6.166 -9.328 -1.939 1.00 0.00 C ATOM 189 CD LYS A 13 -7.626 -9.762 -1.789 1.00 0.00 C ATOM 190 CE LYS A 13 -8.154 -9.313 -0.425 1.00 0.00 C ATOM 191 NZ LYS A 13 -9.629 -9.202 -0.602 1.00 0.00 N ATOM 0 H LYS A 13 -5.135 -8.876 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.403 -7.780 -3.084 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.511 -9.084 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.612 -10.531 -3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.527 -9.935 -1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.048 -8.293 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.230 -9.327 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.706 -10.845 -1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.903 -10.034 0.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.719 -8.359 -0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.064 -8.898 0.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.838 -8.504 -1.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.016 -10.127 -0.878 1.00 0.00 H new ATOM 205 N GLU A 14 -2.997 -10.683 -3.739 1.00 0.00 N ATOM 206 CA GLU A 14 -1.851 -11.531 -3.304 1.00 0.00 C ATOM 207 C GLU A 14 -0.567 -10.698 -3.283 1.00 0.00 C ATOM 208 O GLU A 14 0.255 -10.828 -2.398 1.00 0.00 O ATOM 209 CB GLU A 14 -1.755 -12.637 -4.355 1.00 0.00 C ATOM 210 CG GLU A 14 -0.994 -13.830 -3.773 1.00 0.00 C ATOM 211 CD GLU A 14 -1.896 -15.066 -3.782 1.00 0.00 C ATOM 212 OE1 GLU A 14 -2.772 -15.128 -4.628 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.695 -15.928 -2.942 1.00 0.00 O ATOM 0 H GLU A 14 -3.543 -11.055 -4.517 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.989 -11.936 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.753 -12.945 -4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.245 -12.265 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.093 -14.020 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.673 -13.608 -2.755 1.00 0.00 H new ATOM 220 N ALA A 15 -0.392 -9.839 -4.250 1.00 0.00 N ATOM 221 CA ALA A 15 0.834 -8.993 -4.286 1.00 0.00 C ATOM 222 C ALA A 15 0.787 -7.955 -3.163 1.00 0.00 C ATOM 223 O ALA A 15 1.524 -8.033 -2.201 1.00 0.00 O ATOM 224 CB ALA A 15 0.802 -8.308 -5.653 1.00 0.00 C ATOM 0 H ALA A 15 -1.046 -9.687 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 15 1.745 -9.575 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.675 -7.664 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.811 -9.063 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.104 -7.707 -5.738 1.00 0.00 H new ATOM 230 N PHE A 16 -0.078 -6.984 -3.279 1.00 0.00 N ATOM 231 CA PHE A 16 -0.179 -5.940 -2.219 1.00 0.00 C ATOM 232 C PHE A 16 -0.091 -6.582 -0.831 1.00 0.00 C ATOM 233 O PHE A 16 0.646 -6.132 0.025 1.00 0.00 O ATOM 234 CB PHE A 16 -1.552 -5.304 -2.429 1.00 0.00 C ATOM 235 CG PHE A 16 -1.727 -4.144 -1.480 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.287 -2.867 -1.847 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.330 -4.346 -0.233 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.451 -1.790 -0.967 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.495 -3.269 0.646 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.055 -1.992 0.279 1.00 0.00 C ATOM 0 H PHE A 16 -0.720 -6.868 -4.063 1.00 0.00 H new ATOM 0 HA PHE A 16 0.626 -5.208 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.651 -4.961 -3.459 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.335 -6.044 -2.263 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.821 -2.712 -2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.668 -5.332 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.112 -0.804 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.962 -3.424 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.182 -1.162 0.958 1.00 0.00 H new ATOM 250 N ALA A 17 -0.836 -7.628 -0.604 1.00 0.00 N ATOM 251 CA ALA A 17 -0.795 -8.297 0.728 1.00 0.00 C ATOM 252 C ALA A 17 0.540 -9.021 0.919 1.00 0.00 C ATOM 253 O ALA A 17 0.949 -9.307 2.027 1.00 0.00 O ATOM 254 CB ALA A 17 -1.951 -9.298 0.703 1.00 0.00 C ATOM 0 H ALA A 17 -1.471 -8.049 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.888 -7.587 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.989 -9.834 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.890 -8.766 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.799 -10.009 -0.109 1.00 0.00 H new ATOM 260 N LEU A 18 1.223 -9.322 -0.152 1.00 0.00 N ATOM 261 CA LEU A 18 2.530 -10.028 -0.028 1.00 0.00 C ATOM 262 C LEU A 18 3.540 -9.146 0.713 1.00 0.00 C ATOM 263 O LEU A 18 4.541 -9.618 1.213 1.00 0.00 O ATOM 264 CB LEU A 18 2.987 -10.278 -1.465 1.00 0.00 C ATOM 265 CG LEU A 18 3.356 -11.752 -1.636 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.413 -12.096 -3.126 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.723 -12.011 -1.001 1.00 0.00 C ATOM 0 H LEU A 18 0.933 -9.110 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 18 2.445 -10.956 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.194 -10.008 -2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.845 -9.648 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 18 2.604 -12.373 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.676 -13.147 -3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.439 -11.911 -3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.164 -11.475 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.987 -13.062 -1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.474 -11.389 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.683 -11.767 0.061 1.00 0.00 H new ATOM 279 N PHE A 19 3.284 -7.868 0.785 1.00 0.00 N ATOM 280 CA PHE A 19 4.230 -6.958 1.495 1.00 0.00 C ATOM 281 C PHE A 19 3.503 -6.210 2.614 1.00 0.00 C ATOM 282 O PHE A 19 4.071 -5.369 3.283 1.00 0.00 O ATOM 283 CB PHE A 19 4.721 -5.980 0.426 1.00 0.00 C ATOM 284 CG PHE A 19 5.115 -6.744 -0.816 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.145 -7.084 -1.766 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.452 -7.112 -1.017 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.511 -7.791 -2.917 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.816 -7.819 -2.168 1.00 0.00 C ATOM 289 CZ PHE A 19 5.845 -8.159 -3.119 1.00 0.00 C ATOM 0 H PHE A 19 2.463 -7.415 0.384 1.00 0.00 H new ATOM 0 HA PHE A 19 5.054 -7.500 1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.937 -5.260 0.189 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.572 -5.412 0.801 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.114 -6.801 -1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.201 -6.850 -0.284 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.762 -8.053 -3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.846 -8.103 -2.324 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.126 -8.705 -4.007 1.00 0.00 H new ATOM 299 N ASP A 20 2.250 -6.507 2.824 1.00 0.00 N ATOM 300 CA ASP A 20 1.488 -5.811 3.900 1.00 0.00 C ATOM 301 C ASP A 20 1.821 -6.422 5.263 1.00 0.00 C ATOM 302 O ASP A 20 1.081 -7.228 5.791 1.00 0.00 O ATOM 303 CB ASP A 20 0.017 -6.039 3.554 1.00 0.00 C ATOM 304 CG ASP A 20 -0.852 -5.704 4.768 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.392 -4.950 5.610 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.961 -6.207 4.836 1.00 0.00 O ATOM 0 H ASP A 20 1.721 -7.202 2.297 1.00 0.00 H new ATOM 0 HA ASP A 20 1.732 -4.750 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.269 -5.416 2.706 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.141 -7.075 3.256 1.00 0.00 H new ATOM 311 N LYS A 21 2.931 -6.045 5.837 1.00 0.00 N ATOM 312 CA LYS A 21 3.311 -6.604 7.167 1.00 0.00 C ATOM 313 C LYS A 21 2.208 -6.328 8.192 1.00 0.00 C ATOM 314 O LYS A 21 1.795 -7.205 8.926 1.00 0.00 O ATOM 315 CB LYS A 21 4.596 -5.871 7.551 1.00 0.00 C ATOM 316 CG LYS A 21 5.323 -6.655 8.647 1.00 0.00 C ATOM 317 CD LYS A 21 6.028 -5.679 9.591 1.00 0.00 C ATOM 318 CE LYS A 21 5.203 -5.520 10.870 1.00 0.00 C ATOM 319 NZ LYS A 21 6.151 -4.956 11.871 1.00 0.00 N ATOM 0 H LYS A 21 3.591 -5.375 5.443 1.00 0.00 H new ATOM 0 HA LYS A 21 3.451 -7.684 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.240 -5.763 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.363 -4.866 7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.613 -7.267 9.203 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.049 -7.335 8.202 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.025 -6.046 9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.154 -4.712 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.354 -4.855 10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.801 -6.477 11.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.658 -4.818 12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.945 -5.613 12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.512 -4.042 11.531 1.00 0.00 H new ATOM 333 N ASP A 22 1.727 -5.116 8.249 1.00 0.00 N ATOM 334 CA ASP A 22 0.652 -4.786 9.228 1.00 0.00 C ATOM 335 C ASP A 22 -0.448 -5.849 9.185 1.00 0.00 C ATOM 336 O ASP A 22 -1.181 -6.038 10.136 1.00 0.00 O ATOM 337 CB ASP A 22 0.107 -3.430 8.775 1.00 0.00 C ATOM 338 CG ASP A 22 0.144 -2.448 9.947 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.123 -2.460 10.675 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.808 -1.699 10.096 1.00 0.00 O ATOM 0 H ASP A 22 2.032 -4.340 7.661 1.00 0.00 H new ATOM 0 HA ASP A 22 1.022 -4.755 10.253 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.701 -3.046 7.946 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.914 -3.540 8.411 1.00 0.00 H new ATOM 345 N ASN A 23 -0.571 -6.545 8.088 1.00 0.00 N ATOM 346 CA ASN A 23 -1.626 -7.595 7.985 1.00 0.00 C ATOM 347 C ASN A 23 -3.015 -6.955 8.023 1.00 0.00 C ATOM 348 O ASN A 23 -3.998 -7.599 8.329 1.00 0.00 O ATOM 349 CB ASN A 23 -1.414 -8.489 9.207 1.00 0.00 C ATOM 350 CG ASN A 23 -1.749 -9.938 8.845 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.867 -10.760 8.703 1.00 0.00 O ATOM 352 ND2 ASN A 23 -2.997 -10.286 8.689 1.00 0.00 N ATOM 0 H ASN A 23 0.012 -6.433 7.259 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.561 -8.156 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.381 -8.418 9.548 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.045 -8.154 10.030 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.232 -11.249 8.448 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.738 -9.595 8.808 1.00 0.00 H new ATOM 359 N ASN A 24 -3.104 -5.690 7.713 1.00 0.00 N ATOM 360 CA ASN A 24 -4.430 -5.009 7.730 1.00 0.00 C ATOM 361 C ASN A 24 -4.810 -4.554 6.319 1.00 0.00 C ATOM 362 O ASN A 24 -5.482 -3.557 6.138 1.00 0.00 O ATOM 363 CB ASN A 24 -4.245 -3.803 8.651 1.00 0.00 C ATOM 364 CG ASN A 24 -3.861 -4.284 10.052 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.219 -5.374 10.452 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.141 -3.512 10.820 1.00 0.00 N ATOM 0 H ASN A 24 -2.316 -5.099 7.449 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.227 -5.667 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.470 -3.146 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.165 -3.221 8.695 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.879 -3.824 11.755 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.840 -2.597 10.485 1.00 0.00 H new ATOM 373 N GLY A 25 -4.386 -5.276 5.318 1.00 0.00 N ATOM 374 CA GLY A 25 -4.723 -4.883 3.920 1.00 0.00 C ATOM 375 C GLY A 25 -4.147 -3.497 3.626 1.00 0.00 C ATOM 376 O GLY A 25 -4.703 -2.733 2.861 1.00 0.00 O ATOM 0 H GLY A 25 -3.821 -6.121 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.319 -5.613 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.804 -4.875 3.784 1.00 0.00 H new ATOM 380 N SER A 26 -3.036 -3.167 4.225 1.00 0.00 N ATOM 381 CA SER A 26 -2.425 -1.828 3.977 1.00 0.00 C ATOM 382 C SER A 26 -0.899 -1.943 3.935 1.00 0.00 C ATOM 383 O SER A 26 -0.293 -2.597 4.761 1.00 0.00 O ATOM 384 CB SER A 26 -2.865 -0.968 5.160 1.00 0.00 C ATOM 385 OG SER A 26 -2.565 -1.647 6.372 1.00 0.00 O ATOM 0 H SER A 26 -2.525 -3.765 4.875 1.00 0.00 H new ATOM 0 HA SER A 26 -2.737 -1.401 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.355 -0.005 5.134 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.934 -0.765 5.099 1.00 0.00 H new ATOM 0 HG SER A 26 -1.705 -2.109 6.284 1.00 0.00 H new ATOM 391 N ILE A 27 -0.272 -1.314 2.980 1.00 0.00 N ATOM 392 CA ILE A 27 1.214 -1.388 2.886 1.00 0.00 C ATOM 393 C ILE A 27 1.810 0.021 2.814 1.00 0.00 C ATOM 394 O ILE A 27 1.102 1.001 2.697 1.00 0.00 O ATOM 395 CB ILE A 27 1.492 -2.155 1.593 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.211 -1.249 0.391 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.588 -3.386 1.523 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.421 -2.036 -0.904 1.00 0.00 C ATOM 0 H ILE A 27 -0.724 -0.751 2.260 1.00 0.00 H new ATOM 0 HA ILE A 27 1.659 -1.877 3.753 1.00 0.00 H new ATOM 0 HB ILE A 27 2.536 -2.469 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.189 -0.872 0.438 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.872 -0.383 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.787 -3.932 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.787 -4.033 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.456 -3.072 1.541 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.221 -1.390 -1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.450 -2.391 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.742 -2.888 -0.926 1.00 0.00 H new ATOM 410 N SER A 28 3.109 0.128 2.883 1.00 0.00 N ATOM 411 CA SER A 28 3.749 1.472 2.814 1.00 0.00 C ATOM 412 C SER A 28 4.155 1.787 1.371 1.00 0.00 C ATOM 413 O SER A 28 4.447 0.900 0.593 1.00 0.00 O ATOM 414 CB SER A 28 4.984 1.370 3.708 1.00 0.00 C ATOM 415 OG SER A 28 4.574 1.312 5.068 1.00 0.00 O ATOM 0 H SER A 28 3.754 -0.656 2.984 1.00 0.00 H new ATOM 0 HA SER A 28 3.078 2.267 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.561 0.481 3.452 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.635 2.230 3.548 1.00 0.00 H new ATOM 0 HG SER A 28 5.363 1.245 5.645 1.00 0.00 H new ATOM 421 N SER A 29 4.176 3.039 1.007 1.00 0.00 N ATOM 422 CA SER A 29 4.562 3.403 -0.386 1.00 0.00 C ATOM 423 C SER A 29 5.776 2.583 -0.828 1.00 0.00 C ATOM 424 O SER A 29 5.803 2.028 -1.908 1.00 0.00 O ATOM 425 CB SER A 29 4.909 4.891 -0.325 1.00 0.00 C ATOM 426 OG SER A 29 6.121 5.120 -1.033 1.00 0.00 O ATOM 0 H SER A 29 3.943 3.826 1.613 1.00 0.00 H new ATOM 0 HA SER A 29 3.766 3.201 -1.103 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.103 5.482 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.014 5.209 0.712 1.00 0.00 H new ATOM 0 HG SER A 29 5.969 5.789 -1.733 1.00 0.00 H new ATOM 432 N SER A 30 6.781 2.499 0.000 1.00 0.00 N ATOM 433 CA SER A 30 7.991 1.712 -0.375 1.00 0.00 C ATOM 434 C SER A 30 7.584 0.305 -0.821 1.00 0.00 C ATOM 435 O SER A 30 8.175 -0.269 -1.713 1.00 0.00 O ATOM 436 CB SER A 30 8.832 1.648 0.899 1.00 0.00 C ATOM 437 OG SER A 30 10.198 1.459 0.550 1.00 0.00 O ATOM 0 H SER A 30 6.817 2.940 0.919 1.00 0.00 H new ATOM 0 HA SER A 30 8.540 2.163 -1.202 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.715 2.567 1.473 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.490 0.830 1.534 1.00 0.00 H new ATOM 0 HG SER A 30 10.741 1.419 1.365 1.00 0.00 H new ATOM 443 N GLU A 31 6.577 -0.253 -0.208 1.00 0.00 N ATOM 444 CA GLU A 31 6.131 -1.621 -0.597 1.00 0.00 C ATOM 445 C GLU A 31 5.265 -1.555 -1.858 1.00 0.00 C ATOM 446 O GLU A 31 5.280 -2.450 -2.681 1.00 0.00 O ATOM 447 CB GLU A 31 5.309 -2.124 0.592 1.00 0.00 C ATOM 448 CG GLU A 31 6.158 -2.058 1.863 1.00 0.00 C ATOM 449 CD GLU A 31 7.313 -3.055 1.759 1.00 0.00 C ATOM 450 OE1 GLU A 31 8.361 -2.669 1.267 1.00 0.00 O ATOM 451 OE2 GLU A 31 7.131 -4.188 2.172 1.00 0.00 O ATOM 0 H GLU A 31 6.043 0.179 0.546 1.00 0.00 H new ATOM 0 HA GLU A 31 6.969 -2.281 -0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.411 -1.517 0.710 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.981 -3.148 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.546 -1.049 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.545 -2.286 2.735 1.00 0.00 H new ATOM 458 N LEU A 32 4.511 -0.502 -2.018 1.00 0.00 N ATOM 459 CA LEU A 32 3.647 -0.381 -3.227 1.00 0.00 C ATOM 460 C LEU A 32 4.500 -0.488 -4.494 1.00 0.00 C ATOM 461 O LEU A 32 4.102 -1.085 -5.474 1.00 0.00 O ATOM 462 CB LEU A 32 3.007 1.003 -3.125 1.00 0.00 C ATOM 463 CG LEU A 32 2.272 1.323 -4.427 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.207 0.257 -4.688 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.601 2.694 -4.309 1.00 0.00 C ATOM 0 H LEU A 32 4.456 0.279 -1.365 1.00 0.00 H new ATOM 0 HA LEU A 32 2.897 -1.170 -3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.312 1.033 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.772 1.756 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 32 2.984 1.335 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.683 0.486 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.683 -0.720 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.495 0.245 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.077 2.923 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.889 2.681 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.359 3.455 -4.123 1.00 0.00 H new ATOM 477 N ALA A 33 5.673 0.083 -4.481 1.00 0.00 N ATOM 478 CA ALA A 33 6.550 0.007 -5.684 1.00 0.00 C ATOM 479 C ALA A 33 6.808 -1.457 -6.046 1.00 0.00 C ATOM 480 O ALA A 33 6.762 -1.840 -7.199 1.00 0.00 O ATOM 481 CB ALA A 33 7.851 0.698 -5.273 1.00 0.00 C ATOM 0 H ALA A 33 6.062 0.598 -3.691 1.00 0.00 H new ATOM 0 HA ALA A 33 6.101 0.480 -6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.551 0.683 -6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.642 1.731 -4.993 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.289 0.174 -4.424 1.00 0.00 H new ATOM 487 N THR A 34 7.073 -2.281 -5.068 1.00 0.00 N ATOM 488 CA THR A 34 7.326 -3.721 -5.357 1.00 0.00 C ATOM 489 C THR A 34 6.071 -4.358 -5.957 1.00 0.00 C ATOM 490 O THR A 34 6.058 -4.768 -7.102 1.00 0.00 O ATOM 491 CB THR A 34 7.651 -4.350 -4.003 1.00 0.00 C ATOM 492 OG1 THR A 34 8.915 -3.879 -3.555 1.00 0.00 O ATOM 493 CG2 THR A 34 7.692 -5.871 -4.147 1.00 0.00 C ATOM 0 H THR A 34 7.125 -2.019 -4.083 1.00 0.00 H new ATOM 0 HA THR A 34 8.135 -3.865 -6.073 1.00 0.00 H new ATOM 0 HB THR A 34 6.885 -4.075 -3.278 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.124 -4.280 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.924 -6.322 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.722 -6.230 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.459 -6.147 -4.870 1.00 0.00 H new ATOM 501 N VAL A 35 5.013 -4.441 -5.196 1.00 0.00 N ATOM 502 CA VAL A 35 3.760 -5.047 -5.730 1.00 0.00 C ATOM 503 C VAL A 35 3.496 -4.522 -7.144 1.00 0.00 C ATOM 504 O VAL A 35 2.974 -5.220 -7.992 1.00 0.00 O ATOM 505 CB VAL A 35 2.657 -4.587 -4.775 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.932 -5.133 -3.375 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.627 -3.058 -4.727 1.00 0.00 C ATOM 0 H VAL A 35 4.962 -4.116 -4.230 1.00 0.00 H new ATOM 0 HA VAL A 35 3.815 -6.134 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 35 1.695 -4.959 -5.128 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.146 -4.805 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.953 -6.222 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.894 -4.762 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.841 -2.731 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.589 -2.686 -4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.429 -2.666 -5.725 1.00 0.00 H new ATOM 517 N MET A 36 3.857 -3.294 -7.399 1.00 0.00 N ATOM 518 CA MET A 36 3.634 -2.709 -8.751 1.00 0.00 C ATOM 519 C MET A 36 4.373 -3.523 -9.816 1.00 0.00 C ATOM 520 O MET A 36 3.772 -4.076 -10.716 1.00 0.00 O ATOM 521 CB MET A 36 4.207 -1.293 -8.663 1.00 0.00 C ATOM 522 CG MET A 36 3.651 -0.443 -9.807 1.00 0.00 C ATOM 523 SD MET A 36 1.847 -0.370 -9.686 1.00 0.00 S ATOM 524 CE MET A 36 1.757 0.968 -8.470 1.00 0.00 C ATOM 0 H MET A 36 4.299 -2.668 -6.726 1.00 0.00 H new ATOM 0 HA MET A 36 2.581 -2.710 -9.032 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.949 -0.844 -7.704 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.295 -1.326 -8.717 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.070 0.562 -9.763 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.944 -0.869 -10.766 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.716 1.147 -8.203 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.317 0.687 -7.578 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.184 1.876 -8.896 1.00 0.00 H new ATOM 534 N ARG A 37 5.674 -3.601 -9.724 1.00 0.00 N ATOM 535 CA ARG A 37 6.447 -4.379 -10.737 1.00 0.00 C ATOM 536 C ARG A 37 6.195 -5.880 -10.564 1.00 0.00 C ATOM 537 O ARG A 37 6.447 -6.667 -11.455 1.00 0.00 O ATOM 538 CB ARG A 37 7.912 -4.045 -10.455 1.00 0.00 C ATOM 539 CG ARG A 37 8.802 -4.745 -11.484 1.00 0.00 C ATOM 540 CD ARG A 37 10.086 -5.227 -10.805 1.00 0.00 C ATOM 541 NE ARG A 37 11.174 -4.912 -11.772 1.00 0.00 N ATOM 542 CZ ARG A 37 12.411 -5.208 -11.482 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.753 -5.441 -10.244 1.00 0.00 N ATOM 544 NH2 ARG A 37 13.307 -5.271 -12.430 1.00 0.00 N ATOM 0 H ARG A 37 6.234 -3.161 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 37 6.158 -4.128 -11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.065 -2.967 -10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.182 -4.364 -9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.272 -5.589 -11.924 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.043 -4.061 -12.297 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.244 -4.719 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.043 -6.295 -10.593 1.00 0.00 H new ATOM 0 HE ARG A 37 10.952 -4.465 -12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.053 -5.392 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.720 -5.672 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.040 -5.089 -13.397 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.274 -5.502 -12.203 1.00 0.00 H new ATOM 558 N SER A 38 5.704 -6.284 -9.424 1.00 0.00 N ATOM 559 CA SER A 38 5.441 -7.734 -9.196 1.00 0.00 C ATOM 560 C SER A 38 4.274 -8.208 -10.065 1.00 0.00 C ATOM 561 O SER A 38 4.246 -9.334 -10.521 1.00 0.00 O ATOM 562 CB SER A 38 5.086 -7.844 -7.715 1.00 0.00 C ATOM 563 OG SER A 38 5.790 -8.940 -7.144 1.00 0.00 O ATOM 0 H SER A 38 5.474 -5.673 -8.641 1.00 0.00 H new ATOM 0 HA SER A 38 6.299 -8.353 -9.457 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.346 -6.921 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.012 -7.985 -7.596 1.00 0.00 H new ATOM 0 HG SER A 38 5.566 -9.013 -6.193 1.00 0.00 H new ATOM 569 N LEU A 39 3.311 -7.361 -10.298 1.00 0.00 N ATOM 570 CA LEU A 39 2.148 -7.772 -11.137 1.00 0.00 C ATOM 571 C LEU A 39 2.609 -8.082 -12.563 1.00 0.00 C ATOM 572 O LEU A 39 2.004 -8.871 -13.262 1.00 0.00 O ATOM 573 CB LEU A 39 1.198 -6.572 -11.128 1.00 0.00 C ATOM 574 CG LEU A 39 0.396 -6.553 -9.823 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.701 -5.492 -9.915 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.247 -7.923 -9.596 1.00 0.00 C ATOM 0 H LEU A 39 3.277 -6.404 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 39 1.665 -8.672 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.765 -5.647 -11.230 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.521 -6.626 -11.981 1.00 0.00 H new ATOM 0 HG LEU A 39 1.063 -6.321 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.272 -5.478 -8.987 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.248 -4.514 -10.078 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.366 -5.727 -10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.817 -7.908 -8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.913 -8.154 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.531 -8.684 -9.532 1.00 0.00 H new ATOM 588 N GLY A 40 3.677 -7.473 -13.000 1.00 0.00 N ATOM 589 CA GLY A 40 4.172 -7.740 -14.380 1.00 0.00 C ATOM 590 C GLY A 40 4.511 -6.418 -15.073 1.00 0.00 C ATOM 591 O GLY A 40 4.310 -6.261 -16.261 1.00 0.00 O ATOM 0 H GLY A 40 4.227 -6.803 -12.462 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.055 -8.379 -14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.414 -8.277 -14.951 1.00 0.00 H new ATOM 595 N LEU A 41 5.025 -5.467 -14.342 1.00 0.00 N ATOM 596 CA LEU A 41 5.377 -4.158 -14.965 1.00 0.00 C ATOM 597 C LEU A 41 6.650 -3.595 -14.328 1.00 0.00 C ATOM 598 O LEU A 41 7.288 -4.238 -13.519 1.00 0.00 O ATOM 599 CB LEU A 41 4.183 -3.244 -14.679 1.00 0.00 C ATOM 600 CG LEU A 41 3.741 -3.417 -13.226 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.285 -2.067 -12.667 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.580 -4.412 -13.161 1.00 0.00 C ATOM 0 H LEU A 41 5.216 -5.539 -13.343 1.00 0.00 H new ATOM 0 HA LEU A 41 5.570 -4.250 -16.034 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.455 -2.205 -14.866 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.359 -3.484 -15.351 1.00 0.00 H new ATOM 0 HG LEU A 41 4.576 -3.793 -12.635 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.970 -2.190 -11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.110 -1.357 -12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.450 -1.692 -13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.264 -4.536 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.745 -4.036 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.903 -5.374 -13.559 1.00 0.00 H new ATOM 614 N SER A 42 7.026 -2.398 -14.688 1.00 0.00 N ATOM 615 CA SER A 42 8.258 -1.797 -14.103 1.00 0.00 C ATOM 616 C SER A 42 8.367 -0.321 -14.500 1.00 0.00 C ATOM 617 O SER A 42 9.005 0.013 -15.479 1.00 0.00 O ATOM 618 CB SER A 42 9.412 -2.599 -14.700 1.00 0.00 C ATOM 619 OG SER A 42 10.646 -2.048 -14.257 1.00 0.00 O ATOM 0 H SER A 42 6.534 -1.811 -15.361 1.00 0.00 H new ATOM 0 HA SER A 42 8.258 -1.833 -13.014 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.338 -3.644 -14.399 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.361 -2.577 -15.789 1.00 0.00 H new ATOM 0 HG SER A 42 11.389 -2.562 -14.637 1.00 0.00 H new ATOM 625 N PRO A 43 7.735 0.512 -13.721 1.00 0.00 N ATOM 626 CA PRO A 43 7.756 1.971 -13.987 1.00 0.00 C ATOM 627 C PRO A 43 9.134 2.554 -13.660 1.00 0.00 C ATOM 628 O PRO A 43 10.120 1.845 -13.602 1.00 0.00 O ATOM 629 CB PRO A 43 6.692 2.522 -13.042 1.00 0.00 C ATOM 630 CG PRO A 43 6.598 1.519 -11.936 1.00 0.00 C ATOM 631 CD PRO A 43 6.949 0.178 -12.528 1.00 0.00 C ATOM 0 HA PRO A 43 7.562 2.220 -15.030 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.973 3.504 -12.661 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.735 2.639 -13.551 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.281 1.773 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.593 1.503 -11.514 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.524 -0.429 -11.828 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.056 -0.391 -12.785 1.00 0.00 H new ATOM 639 N SER A 44 9.211 3.839 -13.447 1.00 0.00 N ATOM 640 CA SER A 44 10.527 4.463 -13.125 1.00 0.00 C ATOM 641 C SER A 44 10.342 5.604 -12.122 1.00 0.00 C ATOM 642 O SER A 44 9.235 5.960 -11.768 1.00 0.00 O ATOM 643 CB SER A 44 11.046 5.000 -14.458 1.00 0.00 C ATOM 644 OG SER A 44 11.117 3.935 -15.398 1.00 0.00 O ATOM 0 H SER A 44 8.421 4.484 -13.482 1.00 0.00 H new ATOM 0 HA SER A 44 11.220 3.754 -12.673 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.386 5.784 -14.829 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.030 5.448 -14.324 1.00 0.00 H new ATOM 0 HG SER A 44 11.448 4.276 -16.255 1.00 0.00 H new ATOM 650 N GLU A 45 11.418 6.182 -11.660 1.00 0.00 N ATOM 651 CA GLU A 45 11.303 7.300 -10.681 1.00 0.00 C ATOM 652 C GLU A 45 10.185 8.257 -11.101 1.00 0.00 C ATOM 653 O GLU A 45 9.243 8.487 -10.369 1.00 0.00 O ATOM 654 CB GLU A 45 12.658 8.005 -10.725 1.00 0.00 C ATOM 655 CG GLU A 45 12.953 8.631 -9.361 1.00 0.00 C ATOM 656 CD GLU A 45 14.035 7.819 -8.648 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.122 6.630 -8.905 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.760 8.399 -7.856 1.00 0.00 O ATOM 0 H GLU A 45 12.371 5.928 -11.918 1.00 0.00 H new ATOM 0 HA GLU A 45 11.059 6.948 -9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.441 7.294 -10.988 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.654 8.775 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.282 9.663 -9.486 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.046 8.656 -8.757 1.00 0.00 H new ATOM 665 N ALA A 46 10.282 8.818 -12.275 1.00 0.00 N ATOM 666 CA ALA A 46 9.222 9.759 -12.741 1.00 0.00 C ATOM 667 C ALA A 46 7.836 9.186 -12.437 1.00 0.00 C ATOM 668 O ALA A 46 7.025 9.811 -11.782 1.00 0.00 O ATOM 669 CB ALA A 46 9.435 9.881 -14.250 1.00 0.00 C ATOM 0 H ALA A 46 11.048 8.666 -12.932 1.00 0.00 H new ATOM 0 HA ALA A 46 9.281 10.727 -12.243 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.691 10.559 -14.669 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.433 10.272 -14.446 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.332 8.899 -14.712 1.00 0.00 H new ATOM 675 N GLU A 47 7.559 8.000 -12.907 1.00 0.00 N ATOM 676 CA GLU A 47 6.225 7.387 -12.644 1.00 0.00 C ATOM 677 C GLU A 47 5.935 7.382 -11.140 1.00 0.00 C ATOM 678 O GLU A 47 4.801 7.488 -10.717 1.00 0.00 O ATOM 679 CB GLU A 47 6.336 5.958 -13.175 1.00 0.00 C ATOM 680 CG GLU A 47 4.997 5.535 -13.784 1.00 0.00 C ATOM 681 CD GLU A 47 4.060 5.056 -12.675 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.531 4.875 -11.564 1.00 0.00 O ATOM 683 OE2 GLU A 47 2.885 4.876 -12.955 1.00 0.00 O ATOM 0 H GLU A 47 8.198 7.429 -13.461 1.00 0.00 H new ATOM 0 HA GLU A 47 5.414 7.937 -13.122 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.124 5.898 -13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.611 5.279 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.548 6.372 -14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.152 4.739 -14.512 1.00 0.00 H new ATOM 690 N VAL A 48 6.951 7.258 -10.332 1.00 0.00 N ATOM 691 CA VAL A 48 6.734 7.245 -8.856 1.00 0.00 C ATOM 692 C VAL A 48 6.403 8.656 -8.360 1.00 0.00 C ATOM 693 O VAL A 48 5.494 8.853 -7.579 1.00 0.00 O ATOM 694 CB VAL A 48 8.057 6.765 -8.264 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.853 6.383 -6.797 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.549 5.543 -9.043 1.00 0.00 C ATOM 0 H VAL A 48 7.922 7.165 -10.629 1.00 0.00 H new ATOM 0 HA VAL A 48 5.903 6.602 -8.566 1.00 0.00 H new ATOM 0 HB VAL A 48 8.795 7.564 -8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.798 6.040 -6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.501 7.252 -6.240 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.114 5.584 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.494 5.199 -8.622 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.809 4.746 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.695 5.813 -10.089 1.00 0.00 H new ATOM 706 N ASN A 49 7.136 9.639 -8.808 1.00 0.00 N ATOM 707 CA ASN A 49 6.862 11.035 -8.361 1.00 0.00 C ATOM 708 C ASN A 49 5.386 11.377 -8.572 1.00 0.00 C ATOM 709 O ASN A 49 4.753 11.985 -7.730 1.00 0.00 O ATOM 710 CB ASN A 49 7.748 11.915 -9.246 1.00 0.00 C ATOM 711 CG ASN A 49 7.843 13.316 -8.641 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.241 13.474 -7.504 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.492 14.348 -9.358 1.00 0.00 N ATOM 0 H ASN A 49 7.911 9.536 -9.463 1.00 0.00 H new ATOM 0 HA ASN A 49 7.073 11.179 -7.301 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.742 11.477 -9.333 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.334 11.970 -10.253 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.552 15.287 -8.964 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.158 14.216 -10.313 1.00 0.00 H new ATOM 720 N ASP A 50 4.831 10.991 -9.687 1.00 0.00 N ATOM 721 CA ASP A 50 3.394 11.293 -9.950 1.00 0.00 C ATOM 722 C ASP A 50 2.501 10.268 -9.246 1.00 0.00 C ATOM 723 O ASP A 50 1.510 10.610 -8.633 1.00 0.00 O ATOM 724 CB ASP A 50 3.238 11.189 -11.467 1.00 0.00 C ATOM 725 CG ASP A 50 3.831 12.434 -12.129 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.037 12.467 -12.309 1.00 0.00 O ATOM 727 OD2 ASP A 50 3.069 13.333 -12.443 1.00 0.00 O ATOM 0 H ASP A 50 5.310 10.479 -10.428 1.00 0.00 H new ATOM 0 HA ASP A 50 3.104 12.275 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.741 10.295 -11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.184 11.092 -11.729 1.00 0.00 H new ATOM 732 N LEU A 51 2.846 9.012 -9.329 1.00 0.00 N ATOM 733 CA LEU A 51 2.016 7.965 -8.665 1.00 0.00 C ATOM 734 C LEU A 51 1.906 8.251 -7.165 1.00 0.00 C ATOM 735 O LEU A 51 0.883 8.017 -6.552 1.00 0.00 O ATOM 736 CB LEU A 51 2.766 6.655 -8.907 1.00 0.00 C ATOM 737 CG LEU A 51 2.070 5.521 -8.151 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.884 5.012 -8.971 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.061 4.376 -7.925 1.00 0.00 C ATOM 0 H LEU A 51 3.666 8.665 -9.827 1.00 0.00 H new ATOM 0 HA LEU A 51 1.000 7.932 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.794 6.432 -9.973 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.799 6.748 -8.573 1.00 0.00 H new ATOM 0 HG LEU A 51 1.714 5.891 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.389 4.204 -8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.178 5.826 -9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.239 4.642 -9.933 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.566 3.568 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.416 4.007 -8.887 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.907 4.737 -7.340 1.00 0.00 H new ATOM 751 N MET A 52 2.951 8.755 -6.569 1.00 0.00 N ATOM 752 CA MET A 52 2.905 9.056 -5.109 1.00 0.00 C ATOM 753 C MET A 52 2.177 10.381 -4.864 1.00 0.00 C ATOM 754 O MET A 52 1.208 10.441 -4.135 1.00 0.00 O ATOM 755 CB MET A 52 4.369 9.161 -4.679 1.00 0.00 C ATOM 756 CG MET A 52 4.949 7.758 -4.496 1.00 0.00 C ATOM 757 SD MET A 52 4.627 7.187 -2.809 1.00 0.00 S ATOM 758 CE MET A 52 3.325 5.999 -3.216 1.00 0.00 C ATOM 0 H MET A 52 3.835 8.972 -7.029 1.00 0.00 H new ATOM 0 HA MET A 52 2.369 8.291 -4.547 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.941 9.707 -5.429 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.446 9.722 -3.748 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.502 7.072 -5.215 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.022 7.768 -4.689 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.443 6.203 -2.608 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.067 6.089 -4.271 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.679 4.988 -3.014 1.00 0.00 H new ATOM 768 N ASN A 53 2.637 11.442 -5.469 1.00 0.00 N ATOM 769 CA ASN A 53 1.970 12.760 -5.270 1.00 0.00 C ATOM 770 C ASN A 53 0.454 12.615 -5.423 1.00 0.00 C ATOM 771 O ASN A 53 -0.310 13.407 -4.908 1.00 0.00 O ATOM 772 CB ASN A 53 2.536 13.660 -6.369 1.00 0.00 C ATOM 773 CG ASN A 53 3.729 14.445 -5.822 1.00 0.00 C ATOM 774 OD1 ASN A 53 3.564 15.684 -5.446 1.00 0.00 O flip ATOM 775 ND2 ASN A 53 4.825 13.927 -5.736 1.00 0.00 N flip ATOM 0 H ASN A 53 3.445 11.453 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 53 2.151 13.168 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.844 13.058 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.767 14.347 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.956 12.959 -6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.614 14.460 -5.370 1.00 0.00 H new ATOM 782 N GLU A 54 0.013 11.607 -6.126 1.00 0.00 N ATOM 783 CA GLU A 54 -1.455 11.414 -6.311 1.00 0.00 C ATOM 784 C GLU A 54 -2.043 10.650 -5.121 1.00 0.00 C ATOM 785 O GLU A 54 -3.231 10.408 -5.052 1.00 0.00 O ATOM 786 CB GLU A 54 -1.586 10.590 -7.593 1.00 0.00 C ATOM 787 CG GLU A 54 -2.119 11.479 -8.718 1.00 0.00 C ATOM 788 CD GLU A 54 -1.243 12.727 -8.842 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.195 12.633 -9.461 1.00 0.00 O ATOM 790 OE2 GLU A 54 -1.633 13.757 -8.316 1.00 0.00 O ATOM 0 H GLU A 54 0.604 10.910 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.991 12.361 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.618 10.174 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.259 9.748 -7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.122 10.929 -9.659 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.150 11.765 -8.512 1.00 0.00 H new ATOM 797 N ILE A 55 -1.219 10.268 -4.182 1.00 0.00 N ATOM 798 CA ILE A 55 -1.733 9.520 -2.999 1.00 0.00 C ATOM 799 C ILE A 55 -0.859 9.804 -1.774 1.00 0.00 C ATOM 800 O ILE A 55 -1.354 10.061 -0.694 1.00 0.00 O ATOM 801 CB ILE A 55 -1.643 8.047 -3.392 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.990 7.175 -2.182 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.222 7.727 -3.858 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.639 5.718 -2.485 1.00 0.00 C ATOM 0 H ILE A 55 -0.214 10.441 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.751 9.810 -2.737 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.344 7.845 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.441 7.517 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.051 7.264 -1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.159 6.675 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.027 8.347 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.480 7.930 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.886 5.098 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.208 5.379 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.573 5.637 -2.697 1.00 0.00 H new ATOM 816 N ASP A 56 0.435 9.759 -1.933 1.00 0.00 N ATOM 817 CA ASP A 56 1.338 10.026 -0.777 1.00 0.00 C ATOM 818 C ASP A 56 1.085 11.430 -0.221 1.00 0.00 C ATOM 819 O ASP A 56 1.020 12.396 -0.954 1.00 0.00 O ATOM 820 CB ASP A 56 2.753 9.922 -1.347 1.00 0.00 C ATOM 821 CG ASP A 56 3.772 10.202 -0.240 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.350 10.509 0.862 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.957 10.105 -0.515 1.00 0.00 O ATOM 0 H ASP A 56 0.906 9.549 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 56 1.177 9.326 0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.916 8.928 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.881 10.634 -2.162 1.00 0.00 H new ATOM 828 N VAL A 57 0.941 11.550 1.070 1.00 0.00 N ATOM 829 CA VAL A 57 0.692 12.892 1.672 1.00 0.00 C ATOM 830 C VAL A 57 1.756 13.205 2.727 1.00 0.00 C ATOM 831 O VAL A 57 1.686 14.203 3.415 1.00 0.00 O ATOM 832 CB VAL A 57 -0.690 12.786 2.318 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.679 11.673 3.367 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.041 14.116 2.989 1.00 0.00 C ATOM 0 H VAL A 57 0.985 10.778 1.735 1.00 0.00 H new ATOM 0 HA VAL A 57 0.736 13.691 0.932 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.432 12.557 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.664 11.597 3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.428 10.726 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.063 11.902 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.026 14.042 3.450 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.299 14.345 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.049 14.910 2.242 1.00 0.00 H new ATOM 844 N ASP A 58 2.740 12.358 2.861 1.00 0.00 N ATOM 845 CA ASP A 58 3.807 12.608 3.872 1.00 0.00 C ATOM 846 C ASP A 58 5.086 11.858 3.490 1.00 0.00 C ATOM 847 O ASP A 58 6.076 12.453 3.113 1.00 0.00 O ATOM 848 CB ASP A 58 3.241 12.069 5.186 1.00 0.00 C ATOM 849 CG ASP A 58 4.144 12.496 6.345 1.00 0.00 C ATOM 850 OD1 ASP A 58 5.030 13.302 6.113 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.934 12.011 7.444 1.00 0.00 O ATOM 0 H ASP A 58 2.851 11.504 2.314 1.00 0.00 H new ATOM 0 HA ASP A 58 4.069 13.664 3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.230 12.446 5.341 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.173 10.982 5.146 1.00 0.00 H new ATOM 856 N GLY A 59 5.072 10.557 3.584 1.00 0.00 N ATOM 857 CA GLY A 59 6.287 9.771 3.227 1.00 0.00 C ATOM 858 C GLY A 59 5.990 8.277 3.368 1.00 0.00 C ATOM 859 O GLY A 59 5.827 7.572 2.391 1.00 0.00 O ATOM 0 H GLY A 59 4.272 10.004 3.892 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.592 9.997 2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.117 10.050 3.876 1.00 0.00 H new ATOM 863 N ASN A 60 5.920 7.788 4.575 1.00 0.00 N ATOM 864 CA ASN A 60 5.632 6.337 4.776 1.00 0.00 C ATOM 865 C ASN A 60 4.154 6.135 5.118 1.00 0.00 C ATOM 866 O ASN A 60 3.810 5.369 5.996 1.00 0.00 O ATOM 867 CB ASN A 60 6.517 5.917 5.951 1.00 0.00 C ATOM 868 CG ASN A 60 7.979 5.881 5.502 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.422 6.740 4.767 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.751 4.914 5.915 1.00 0.00 N ATOM 0 H ASN A 60 6.049 8.328 5.431 1.00 0.00 H new ATOM 0 HA ASN A 60 5.835 5.747 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.397 6.616 6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.213 4.936 6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.727 4.879 5.621 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.379 4.193 6.532 1.00 0.00 H new ATOM 877 N HIS A 61 3.278 6.815 4.431 1.00 0.00 N ATOM 878 CA HIS A 61 1.822 6.660 4.716 1.00 0.00 C ATOM 879 C HIS A 61 1.403 5.196 4.557 1.00 0.00 C ATOM 880 O HIS A 61 2.088 4.408 3.935 1.00 0.00 O ATOM 881 CB HIS A 61 1.121 7.535 3.677 1.00 0.00 C ATOM 882 CG HIS A 61 1.242 6.899 2.320 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.191 5.927 2.040 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.541 7.084 1.154 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.036 5.568 0.752 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.044 6.243 0.165 1.00 0.00 N ATOM 0 H HIS A 61 3.507 7.471 3.685 1.00 0.00 H new ATOM 0 HA HIS A 61 1.567 6.953 5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.070 7.659 3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.566 8.530 3.665 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.881 5.552 2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.277 7.777 1.024 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.640 4.824 0.254 1.00 0.00 H new ATOM 894 N GLN A 62 0.283 4.826 5.114 1.00 0.00 N ATOM 895 CA GLN A 62 -0.179 3.414 4.994 1.00 0.00 C ATOM 896 C GLN A 62 -1.120 3.268 3.794 1.00 0.00 C ATOM 897 O GLN A 62 -2.274 3.645 3.850 1.00 0.00 O ATOM 898 CB GLN A 62 -0.923 3.127 6.298 1.00 0.00 C ATOM 899 CG GLN A 62 0.079 3.051 7.452 1.00 0.00 C ATOM 900 CD GLN A 62 -0.290 4.084 8.518 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.301 5.269 8.254 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.596 3.682 9.721 1.00 0.00 N ATOM 0 H GLN A 62 -0.333 5.440 5.647 1.00 0.00 H new ATOM 0 HA GLN A 62 0.647 2.720 4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.656 3.910 6.490 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.472 2.189 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.077 2.050 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.088 3.237 7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.587 2.687 9.944 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.844 4.363 10.439 1.00 0.00 H new ATOM 911 N ILE A 63 -0.636 2.725 2.711 1.00 0.00 N ATOM 912 CA ILE A 63 -1.503 2.558 1.510 1.00 0.00 C ATOM 913 C ILE A 63 -2.560 1.480 1.763 1.00 0.00 C ATOM 914 O ILE A 63 -2.383 0.603 2.585 1.00 0.00 O ATOM 915 CB ILE A 63 -0.555 2.123 0.394 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.451 3.243 0.114 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.358 1.833 -0.876 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.444 2.780 -0.953 1.00 0.00 C ATOM 0 H ILE A 63 0.322 2.390 2.606 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.038 3.474 1.259 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.023 1.223 0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.070 4.139 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.981 3.508 1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.681 1.523 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.075 1.036 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.891 2.733 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.161 3.577 -1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.974 1.896 -0.598 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.906 2.537 -1.869 1.00 0.00 H new ATOM 930 N GLU A 64 -3.658 1.538 1.060 1.00 0.00 N ATOM 931 CA GLU A 64 -4.725 0.517 1.257 1.00 0.00 C ATOM 932 C GLU A 64 -4.975 -0.240 -0.050 1.00 0.00 C ATOM 933 O GLU A 64 -5.159 0.354 -1.095 1.00 0.00 O ATOM 934 CB GLU A 64 -5.966 1.312 1.665 1.00 0.00 C ATOM 935 CG GLU A 64 -6.070 1.350 3.190 1.00 0.00 C ATOM 936 CD GLU A 64 -7.542 1.350 3.603 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.110 2.426 3.698 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.078 0.275 3.816 1.00 0.00 O ATOM 0 H GLU A 64 -3.862 2.249 0.357 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.455 -0.225 2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.908 2.326 1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.860 0.855 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.561 0.488 3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.573 2.240 3.577 1.00 0.00 H new ATOM 945 N PHE A 65 -4.982 -1.543 -0.001 1.00 0.00 N ATOM 946 CA PHE A 65 -5.218 -2.334 -1.244 1.00 0.00 C ATOM 947 C PHE A 65 -6.351 -1.710 -2.062 1.00 0.00 C ATOM 948 O PHE A 65 -6.304 -1.670 -3.276 1.00 0.00 O ATOM 949 CB PHE A 65 -5.611 -3.728 -0.758 1.00 0.00 C ATOM 950 CG PHE A 65 -5.755 -4.651 -1.944 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.712 -4.766 -2.871 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.930 -5.390 -2.117 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.845 -5.621 -3.971 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.064 -6.245 -3.217 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.021 -6.361 -4.144 1.00 0.00 C ATOM 0 H PHE A 65 -4.835 -2.095 0.844 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.340 -2.361 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.855 -4.113 -0.073 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.549 -3.681 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.805 -4.195 -2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.734 -5.301 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.041 -5.710 -4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.972 -6.815 -3.351 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.124 -7.021 -4.992 1.00 0.00 H new ATOM 965 N SER A 66 -7.369 -1.222 -1.409 1.00 0.00 N ATOM 966 CA SER A 66 -8.503 -0.600 -2.152 1.00 0.00 C ATOM 967 C SER A 66 -8.005 0.587 -2.979 1.00 0.00 C ATOM 968 O SER A 66 -7.854 0.498 -4.182 1.00 0.00 O ATOM 969 CB SER A 66 -9.475 -0.131 -1.070 1.00 0.00 C ATOM 970 OG SER A 66 -10.604 -0.995 -1.048 1.00 0.00 O ATOM 0 H SER A 66 -7.466 -1.227 -0.394 1.00 0.00 H new ATOM 0 HA SER A 66 -8.973 -1.296 -2.847 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.983 -0.132 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.790 0.894 -1.267 1.00 0.00 H new ATOM 0 HG SER A 66 -11.229 -0.699 -0.354 1.00 0.00 H new ATOM 976 N GLU A 67 -7.748 1.699 -2.345 1.00 0.00 N ATOM 977 CA GLU A 67 -7.259 2.889 -3.099 1.00 0.00 C ATOM 978 C GLU A 67 -6.083 2.498 -3.998 1.00 0.00 C ATOM 979 O GLU A 67 -5.997 2.909 -5.137 1.00 0.00 O ATOM 980 CB GLU A 67 -6.810 3.881 -2.025 1.00 0.00 C ATOM 981 CG GLU A 67 -5.501 3.397 -1.397 1.00 0.00 C ATOM 982 CD GLU A 67 -5.098 4.342 -0.263 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.331 5.532 -0.399 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.565 3.858 0.722 1.00 0.00 O ATOM 0 H GLU A 67 -7.855 1.835 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.026 3.312 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.672 4.869 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.579 3.977 -1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.622 2.384 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.715 3.361 -2.151 1.00 0.00 H new ATOM 991 N PHE A 68 -5.178 1.705 -3.493 1.00 0.00 N ATOM 992 CA PHE A 68 -4.009 1.286 -4.320 1.00 0.00 C ATOM 993 C PHE A 68 -4.468 0.929 -5.737 1.00 0.00 C ATOM 994 O PHE A 68 -4.061 1.540 -6.705 1.00 0.00 O ATOM 995 CB PHE A 68 -3.444 0.055 -3.610 1.00 0.00 C ATOM 996 CG PHE A 68 -2.530 -0.697 -4.548 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.822 -0.007 -5.539 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.392 -2.085 -4.427 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.976 -0.704 -6.410 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.546 -2.782 -5.298 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.838 -2.093 -6.289 1.00 0.00 C ATOM 0 H PHE A 68 -5.197 1.329 -2.545 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.264 2.076 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.896 0.357 -2.717 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.257 -0.593 -3.281 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.928 1.064 -5.632 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.938 -2.618 -3.662 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.430 -0.171 -7.175 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.440 -3.853 -5.205 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.186 -2.632 -6.960 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.310 -0.058 -5.864 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.795 -0.458 -7.217 1.00 0.00 C ATOM 1013 C LEU A 69 -6.768 0.590 -7.760 1.00 0.00 C ATOM 1014 O LEU A 69 -6.677 1.005 -8.898 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.503 -1.795 -7.003 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.516 -2.941 -7.236 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.206 -2.651 -6.501 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.116 -4.245 -6.704 1.00 0.00 C ATOM 0 H LEU A 69 -5.684 -0.606 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.985 -0.540 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.905 -1.848 -5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.348 -1.884 -7.686 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.319 -3.035 -8.304 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.506 -3.469 -6.669 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.776 -1.722 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.402 -2.555 -5.433 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.414 -5.062 -6.869 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.313 -4.146 -5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.049 -4.456 -7.227 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.699 1.025 -6.955 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.673 2.049 -7.429 1.00 0.00 C ATOM 1032 C ALA A 70 -7.938 3.168 -8.169 1.00 0.00 C ATOM 1033 O ALA A 70 -8.499 3.847 -9.006 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.331 2.588 -6.158 1.00 0.00 C ATOM 0 H ALA A 70 -7.827 0.716 -5.991 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.406 1.636 -8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.064 3.350 -6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.828 1.773 -5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.570 3.026 -5.512 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.683 3.362 -7.868 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.907 4.435 -8.554 1.00 0.00 C ATOM 1042 C LEU A 71 -4.978 3.824 -9.606 1.00 0.00 C ATOM 1043 O LEU A 71 -4.765 4.386 -10.662 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.095 5.106 -7.445 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.030 5.534 -6.314 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -5.311 5.383 -4.972 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.433 6.997 -6.514 1.00 0.00 C ATOM 0 H LEU A 71 -6.161 2.824 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.551 5.144 -9.073 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.340 4.418 -7.066 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.566 5.973 -7.841 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.921 4.906 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.978 5.688 -4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.022 4.342 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.420 6.011 -4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.100 7.304 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.542 7.624 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.945 7.106 -7.470 1.00 0.00 H new ATOM 1059 N MET A 72 -4.422 2.677 -9.324 1.00 0.00 N ATOM 1060 CA MET A 72 -3.506 2.030 -10.307 1.00 0.00 C ATOM 1061 C MET A 72 -4.238 1.784 -11.629 1.00 0.00 C ATOM 1062 O MET A 72 -3.638 1.749 -12.685 1.00 0.00 O ATOM 1063 CB MET A 72 -3.107 0.702 -9.661 1.00 0.00 C ATOM 1064 CG MET A 72 -1.585 0.555 -9.696 1.00 0.00 C ATOM 1065 SD MET A 72 -1.051 0.204 -11.389 1.00 0.00 S ATOM 1066 CE MET A 72 0.092 1.596 -11.560 1.00 0.00 C ATOM 0 H MET A 72 -4.562 2.160 -8.456 1.00 0.00 H new ATOM 0 HA MET A 72 -2.639 2.650 -10.534 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.463 0.665 -8.631 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.575 -0.128 -10.191 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.112 1.469 -9.336 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.271 -0.249 -9.030 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.312 2.313 -12.275 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.221 2.082 -10.593 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.057 1.233 -11.915 1.00 0.00 H new ATOM 1076 N SER A 73 -5.530 1.615 -11.581 1.00 0.00 N ATOM 1077 CA SER A 73 -6.300 1.371 -12.835 1.00 0.00 C ATOM 1078 C SER A 73 -6.003 2.471 -13.859 1.00 0.00 C ATOM 1079 O SER A 73 -6.238 2.311 -15.040 1.00 0.00 O ATOM 1080 CB SER A 73 -7.767 1.412 -12.414 1.00 0.00 C ATOM 1081 OG SER A 73 -8.516 0.527 -13.236 1.00 0.00 O ATOM 0 H SER A 73 -6.088 1.635 -10.727 1.00 0.00 H new ATOM 0 HA SER A 73 -6.038 0.422 -13.303 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.865 1.125 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.155 2.427 -12.504 1.00 0.00 H new ATOM 0 HG SER A 73 -9.458 0.549 -12.967 1.00 0.00 H new