USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 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 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 MET CE :methyl -174:sc= -1.19 (180deg=-1.39) USER MOD Set 2.1: A 49 ASN : amide:sc= 0 X(o=-0.013,f=-0.013) USER MOD Set 2.2: A 53 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Set 3.1: A 24 ASN : amide:sc= -3.1! C(o=-5!,f=-18!) USER MOD Set 3.2: A 26 SER OG : rot -19:sc= -1.87! USER MOD Set 4.1: A 5 THR OG1 : rot 35:sc= 0.832 USER MOD Set 4.2: A 8 GLN : amide:sc= -0.613 X(o=0.22,f=0.71) 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 X(o=0,f=-0.068) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 104:sc= 0.657 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 54:sc= 0.333 USER MOD Single : A 42 SER OG : rot 63:sc= 0.889 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 155:sc= -0.647 (180deg=-1.21) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 61 HIS : no HE2:sc= -15.4! C(o=-15!,f=-16!) USER MOD Single : A 62 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.335 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.530 -7.338 -13.166 1.00 0.00 N ATOM 59 CA THR A 5 -11.539 -8.428 -13.284 1.00 0.00 C ATOM 60 C THR A 5 -11.420 -9.389 -12.098 1.00 0.00 C ATOM 61 O THR A 5 -10.957 -9.024 -11.035 1.00 0.00 O ATOM 62 CB THR A 5 -11.197 -9.145 -14.591 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.624 -8.217 -15.502 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.470 -9.740 -15.198 1.00 0.00 C ATOM 0 HA THR A 5 -12.560 -8.047 -13.283 1.00 0.00 H new ATOM 0 HB THR A 5 -10.485 -9.946 -14.391 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.081 -7.567 -15.009 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.225 -10.251 -16.129 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.908 -10.452 -14.498 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.185 -8.942 -15.399 1.00 0.00 H new ATOM 72 N GLU A 6 -11.834 -10.614 -12.270 1.00 0.00 N ATOM 73 CA GLU A 6 -11.743 -11.595 -11.151 1.00 0.00 C ATOM 74 C GLU A 6 -10.297 -12.064 -10.976 1.00 0.00 C ATOM 75 O GLU A 6 -9.717 -11.935 -9.916 1.00 0.00 O ATOM 76 CB GLU A 6 -12.638 -12.762 -11.573 1.00 0.00 C ATOM 77 CG GLU A 6 -14.021 -12.600 -10.941 1.00 0.00 C ATOM 78 CD GLU A 6 -15.091 -12.647 -12.034 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.832 -12.136 -13.112 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.150 -13.193 -11.776 1.00 0.00 O ATOM 0 H GLU A 6 -12.231 -10.978 -13.136 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.055 -11.166 -10.199 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.724 -12.793 -12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.193 -13.707 -11.261 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.195 -13.392 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.078 -11.654 -10.402 1.00 0.00 H new ATOM 87 N GLU A 7 -9.710 -12.608 -12.007 1.00 0.00 N ATOM 88 CA GLU A 7 -8.301 -13.083 -11.898 1.00 0.00 C ATOM 89 C GLU A 7 -7.350 -11.892 -11.757 1.00 0.00 C ATOM 90 O GLU A 7 -6.331 -11.974 -11.101 1.00 0.00 O ATOM 91 CB GLU A 7 -8.034 -13.833 -13.203 1.00 0.00 C ATOM 92 CG GLU A 7 -9.018 -14.996 -13.336 1.00 0.00 C ATOM 93 CD GLU A 7 -9.200 -15.346 -14.814 1.00 0.00 C ATOM 94 OE1 GLU A 7 -8.367 -14.938 -15.606 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.171 -16.015 -15.129 1.00 0.00 O ATOM 0 H GLU A 7 -10.145 -12.744 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.145 -13.717 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.138 -13.156 -14.051 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.010 -14.206 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.648 -15.863 -12.789 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.977 -14.726 -12.895 1.00 0.00 H new ATOM 102 N GLN A 8 -7.675 -10.784 -12.367 1.00 0.00 N ATOM 103 CA GLN A 8 -6.787 -9.591 -12.262 1.00 0.00 C ATOM 104 C GLN A 8 -6.759 -9.086 -10.818 1.00 0.00 C ATOM 105 O GLN A 8 -5.734 -9.098 -10.165 1.00 0.00 O ATOM 106 CB GLN A 8 -7.411 -8.547 -13.186 1.00 0.00 C ATOM 107 CG GLN A 8 -6.318 -7.897 -14.035 1.00 0.00 C ATOM 108 CD GLN A 8 -5.999 -8.796 -15.232 1.00 0.00 C ATOM 109 OE1 GLN A 8 -4.847 -9.041 -15.532 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.977 -9.302 -15.931 1.00 0.00 N ATOM 0 H GLN A 8 -8.514 -10.654 -12.932 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.757 -9.814 -12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.156 -9.015 -13.830 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.929 -7.789 -12.598 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.646 -6.916 -14.380 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.422 -7.740 -13.435 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -7.944 -9.096 -15.679 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.775 -9.904 -16.730 1.00 0.00 H new ATOM 119 N ILE A 9 -7.878 -8.647 -10.312 1.00 0.00 N ATOM 120 CA ILE A 9 -7.914 -8.147 -8.908 1.00 0.00 C ATOM 121 C ILE A 9 -7.295 -9.185 -7.970 1.00 0.00 C ATOM 122 O ILE A 9 -6.666 -8.850 -6.984 1.00 0.00 O ATOM 123 CB ILE A 9 -9.397 -7.955 -8.592 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.987 -6.907 -9.537 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.554 -7.482 -7.145 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.457 -6.670 -9.184 1.00 0.00 C ATOM 0 H ILE A 9 -8.768 -8.613 -10.809 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.350 -7.223 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.922 -8.901 -8.724 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.428 -5.975 -9.457 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.900 -7.244 -10.570 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.612 -7.345 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.133 -8.228 -6.471 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.029 -6.536 -7.013 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.877 -5.923 -9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.011 -7.603 -9.286 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.532 -6.315 -8.156 1.00 0.00 H new ATOM 138 N ALA A 10 -7.466 -10.443 -8.270 1.00 0.00 N ATOM 139 CA ALA A 10 -6.886 -11.504 -7.399 1.00 0.00 C ATOM 140 C ALA A 10 -5.364 -11.352 -7.330 1.00 0.00 C ATOM 141 O ALA A 10 -4.804 -11.088 -6.285 1.00 0.00 O ATOM 142 CB ALA A 10 -7.265 -12.823 -8.076 1.00 0.00 C ATOM 0 H ALA A 10 -7.983 -10.782 -9.081 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.258 -11.451 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.873 -13.657 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.350 -12.902 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.842 -12.851 -9.080 1.00 0.00 H new ATOM 148 N GLU A 11 -4.691 -11.515 -8.437 1.00 0.00 N ATOM 149 CA GLU A 11 -3.207 -11.377 -8.431 1.00 0.00 C ATOM 150 C GLU A 11 -2.807 -10.074 -7.735 1.00 0.00 C ATOM 151 O GLU A 11 -1.765 -9.983 -7.116 1.00 0.00 O ATOM 152 CB GLU A 11 -2.807 -11.342 -9.906 1.00 0.00 C ATOM 153 CG GLU A 11 -2.600 -12.771 -10.413 1.00 0.00 C ATOM 154 CD GLU A 11 -2.636 -12.782 -11.942 1.00 0.00 C ATOM 155 OE1 GLU A 11 -3.582 -12.247 -12.496 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.717 -13.324 -12.533 1.00 0.00 O ATOM 0 H GLU A 11 -5.104 -11.737 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.716 -12.190 -7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.581 -10.845 -10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.892 -10.764 -10.032 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.645 -13.159 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.377 -13.425 -10.016 1.00 0.00 H new ATOM 163 N PHE A 12 -3.629 -9.064 -7.829 1.00 0.00 N ATOM 164 CA PHE A 12 -3.298 -7.768 -7.170 1.00 0.00 C ATOM 165 C PHE A 12 -3.299 -7.938 -5.649 1.00 0.00 C ATOM 166 O PHE A 12 -2.384 -7.521 -4.968 1.00 0.00 O ATOM 167 CB PHE A 12 -4.406 -6.808 -7.603 1.00 0.00 C ATOM 168 CG PHE A 12 -4.107 -6.279 -8.985 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.839 -7.168 -10.033 1.00 0.00 C ATOM 170 CD2 PHE A 12 -4.099 -4.898 -9.218 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.563 -6.675 -11.314 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.824 -4.407 -10.499 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.556 -5.294 -11.547 1.00 0.00 C ATOM 0 H PHE A 12 -4.515 -9.080 -8.334 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.311 -7.401 -7.450 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.368 -7.321 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.483 -5.982 -6.895 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.845 -8.233 -9.853 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.305 -4.212 -8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.355 -7.360 -12.123 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.819 -3.342 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.344 -4.914 -12.535 1.00 0.00 H new ATOM 183 N LYS A 13 -4.319 -8.549 -5.111 1.00 0.00 N ATOM 184 CA LYS A 13 -4.374 -8.746 -3.635 1.00 0.00 C ATOM 185 C LYS A 13 -3.132 -9.504 -3.162 1.00 0.00 C ATOM 186 O LYS A 13 -2.395 -9.039 -2.315 1.00 0.00 O ATOM 187 CB LYS A 13 -5.636 -9.575 -3.390 1.00 0.00 C ATOM 188 CG LYS A 13 -5.850 -9.748 -1.885 1.00 0.00 C ATOM 189 CD LYS A 13 -7.022 -8.876 -1.432 1.00 0.00 C ATOM 190 CE LYS A 13 -7.706 -9.525 -0.226 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.931 -8.410 0.734 1.00 0.00 N ATOM 0 H LYS A 13 -5.116 -8.920 -5.629 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.399 -7.802 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.500 -9.082 -3.836 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.542 -10.550 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.051 -10.794 -1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.946 -9.470 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.667 -7.879 -1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.736 -8.756 -2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.647 -9.996 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.080 -10.303 0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.397 -8.776 1.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.018 -7.985 0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.535 -7.688 0.292 1.00 0.00 H new ATOM 205 N GLU A 14 -2.892 -10.666 -3.705 1.00 0.00 N ATOM 206 CA GLU A 14 -1.692 -11.446 -3.288 1.00 0.00 C ATOM 207 C GLU A 14 -0.452 -10.549 -3.317 1.00 0.00 C ATOM 208 O GLU A 14 0.416 -10.644 -2.473 1.00 0.00 O ATOM 209 CB GLU A 14 -1.568 -12.568 -4.319 1.00 0.00 C ATOM 210 CG GLU A 14 -1.761 -13.919 -3.629 1.00 0.00 C ATOM 211 CD GLU A 14 -2.728 -14.778 -4.447 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.858 -14.355 -4.626 1.00 0.00 O ATOM 213 OE2 GLU A 14 -2.322 -15.843 -4.880 1.00 0.00 O ATOM 0 H GLU A 14 -3.473 -11.108 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.782 -11.837 -2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.313 -12.439 -5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.590 -12.529 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.802 -14.428 -3.528 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.151 -13.772 -2.622 1.00 0.00 H new ATOM 220 N ALA A 15 -0.369 -9.674 -4.282 1.00 0.00 N ATOM 221 CA ALA A 15 0.809 -8.765 -4.367 1.00 0.00 C ATOM 222 C ALA A 15 0.739 -7.713 -3.258 1.00 0.00 C ATOM 223 O ALA A 15 1.502 -7.740 -2.313 1.00 0.00 O ATOM 224 CB ALA A 15 0.700 -8.104 -5.741 1.00 0.00 C ATOM 0 H ALA A 15 -1.067 -9.549 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 15 1.753 -9.296 -4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.534 -7.417 -5.881 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.726 -8.870 -6.516 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.238 -7.553 -5.806 1.00 0.00 H new ATOM 230 N PHE A 16 -0.172 -6.786 -3.364 1.00 0.00 N ATOM 231 CA PHE A 16 -0.296 -5.732 -2.317 1.00 0.00 C ATOM 232 C PHE A 16 -0.157 -6.350 -0.923 1.00 0.00 C ATOM 233 O PHE A 16 0.579 -5.863 -0.087 1.00 0.00 O ATOM 234 CB PHE A 16 -1.697 -5.153 -2.509 1.00 0.00 C ATOM 235 CG PHE A 16 -1.902 -3.999 -1.558 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.471 -2.714 -1.911 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.526 -4.213 -0.324 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.665 -1.645 -1.029 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.719 -3.144 0.559 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.288 -1.859 0.206 1.00 0.00 C ATOM 0 H PHE A 16 -0.838 -6.712 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 16 0.478 -4.970 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.825 -4.817 -3.538 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.447 -5.923 -2.330 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.989 -2.548 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.859 -5.204 -0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.334 -0.654 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.200 -3.310 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.436 -1.034 0.886 1.00 0.00 H new ATOM 250 N ALA A 17 -0.860 -7.418 -0.664 1.00 0.00 N ATOM 251 CA ALA A 17 -0.773 -8.064 0.677 1.00 0.00 C ATOM 252 C ALA A 17 0.599 -8.719 0.869 1.00 0.00 C ATOM 253 O ALA A 17 1.045 -8.931 1.978 1.00 0.00 O ATOM 254 CB ALA A 17 -1.875 -9.123 0.678 1.00 0.00 C ATOM 0 H ALA A 17 -1.492 -7.872 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.894 -7.345 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.877 -9.645 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.841 -8.643 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.694 -9.837 -0.125 1.00 0.00 H new ATOM 260 N LEU A 18 1.270 -9.044 -0.202 1.00 0.00 N ATOM 261 CA LEU A 18 2.610 -9.688 -0.073 1.00 0.00 C ATOM 262 C LEU A 18 3.587 -8.748 0.640 1.00 0.00 C ATOM 263 O LEU A 18 4.606 -9.169 1.148 1.00 0.00 O ATOM 264 CB LEU A 18 3.066 -9.949 -1.509 1.00 0.00 C ATOM 265 CG LEU A 18 3.418 -11.428 -1.671 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.527 -11.767 -3.159 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.757 -11.712 -0.986 1.00 0.00 C ATOM 0 H LEU A 18 0.950 -8.892 -1.159 1.00 0.00 H new ATOM 0 HA LEU A 18 2.570 -10.605 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.277 -9.673 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.932 -9.330 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 18 2.638 -12.038 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.778 -12.821 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.575 -11.565 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.306 -11.156 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.008 -12.766 -1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.536 -11.101 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.682 -11.471 0.074 1.00 0.00 H new ATOM 279 N PHE A 19 3.286 -7.478 0.682 1.00 0.00 N ATOM 280 CA PHE A 19 4.202 -6.520 1.365 1.00 0.00 C ATOM 281 C PHE A 19 3.448 -5.746 2.450 1.00 0.00 C ATOM 282 O PHE A 19 3.896 -4.717 2.917 1.00 0.00 O ATOM 283 CB PHE A 19 4.679 -5.568 0.266 1.00 0.00 C ATOM 284 CG PHE A 19 5.066 -6.362 -0.960 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.085 -6.737 -1.886 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.402 -6.719 -1.172 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.441 -7.471 -3.024 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.758 -7.453 -2.310 1.00 0.00 C ATOM 289 CZ PHE A 19 5.777 -7.828 -3.236 1.00 0.00 C ATOM 0 H PHE A 19 2.448 -7.063 0.274 1.00 0.00 H new ATOM 0 HA PHE A 19 5.034 -7.027 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.890 -4.858 0.018 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.531 -4.987 0.619 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.054 -6.460 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.159 -6.429 -0.458 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.684 -7.761 -3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.789 -7.730 -2.473 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.052 -8.393 -4.114 1.00 0.00 H new ATOM 299 N ASP A 20 2.307 -6.232 2.855 1.00 0.00 N ATOM 300 CA ASP A 20 1.527 -5.524 3.909 1.00 0.00 C ATOM 301 C ASP A 20 2.061 -5.886 5.298 1.00 0.00 C ATOM 302 O ASP A 20 1.787 -6.949 5.821 1.00 0.00 O ATOM 303 CB ASP A 20 0.091 -6.019 3.741 1.00 0.00 C ATOM 304 CG ASP A 20 -0.882 -4.934 4.204 1.00 0.00 C ATOM 305 OD1 ASP A 20 -0.915 -4.665 5.394 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.576 -4.389 3.362 1.00 0.00 O ATOM 0 H ASP A 20 1.881 -7.089 2.502 1.00 0.00 H new ATOM 0 HA ASP A 20 1.598 -4.440 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.098 -6.270 2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.061 -6.930 4.321 1.00 0.00 H new ATOM 311 N LYS A 21 2.820 -5.012 5.898 1.00 0.00 N ATOM 312 CA LYS A 21 3.369 -5.307 7.254 1.00 0.00 C ATOM 313 C LYS A 21 2.245 -5.303 8.292 1.00 0.00 C ATOM 314 O LYS A 21 2.264 -6.057 9.245 1.00 0.00 O ATOM 315 CB LYS A 21 4.361 -4.177 7.532 1.00 0.00 C ATOM 316 CG LYS A 21 4.906 -4.314 8.956 1.00 0.00 C ATOM 317 CD LYS A 21 5.424 -2.958 9.438 1.00 0.00 C ATOM 318 CE LYS A 21 6.610 -2.527 8.572 1.00 0.00 C ATOM 319 NZ LYS A 21 6.631 -1.040 8.663 1.00 0.00 N ATOM 0 H LYS A 21 3.085 -4.107 5.510 1.00 0.00 H new ATOM 0 HA LYS A 21 3.843 -6.287 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.180 -4.212 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.871 -3.211 7.410 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.123 -4.674 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.709 -5.051 8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.630 -2.213 9.383 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.728 -3.023 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.542 -2.958 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.487 -2.858 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.418 -0.668 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.733 -0.657 8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.756 -0.755 9.655 1.00 0.00 H new ATOM 333 N ASP A 22 1.265 -4.459 8.115 1.00 0.00 N ATOM 334 CA ASP A 22 0.139 -4.409 9.092 1.00 0.00 C ATOM 335 C ASP A 22 -0.770 -5.626 8.916 1.00 0.00 C ATOM 336 O ASP A 22 -1.654 -5.874 9.711 1.00 0.00 O ATOM 337 CB ASP A 22 -0.617 -3.121 8.758 1.00 0.00 C ATOM 338 CG ASP A 22 0.162 -1.918 9.292 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.060 -1.465 8.600 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.152 -1.468 10.382 1.00 0.00 O ATOM 0 H ASP A 22 1.195 -3.803 7.337 1.00 0.00 H new ATOM 0 HA ASP A 22 0.488 -4.422 10.125 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.748 -3.033 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.613 -3.147 9.199 1.00 0.00 H new ATOM 345 N ASN A 23 -0.560 -6.390 7.878 1.00 0.00 N ATOM 346 CA ASN A 23 -1.413 -7.592 7.651 1.00 0.00 C ATOM 347 C ASN A 23 -2.891 -7.235 7.831 1.00 0.00 C ATOM 348 O ASN A 23 -3.677 -8.026 8.312 1.00 0.00 O ATOM 349 CB ASN A 23 -0.970 -8.598 8.715 1.00 0.00 C ATOM 350 CG ASN A 23 -0.055 -9.645 8.077 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.449 -10.335 7.158 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.160 -9.794 8.531 1.00 0.00 N ATOM 0 H ASN A 23 0.165 -6.234 7.178 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.305 -7.991 6.642 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.446 -8.084 9.521 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.840 -9.082 9.158 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.778 -10.490 8.114 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.491 -9.215 9.303 1.00 0.00 H new ATOM 359 N ASN A 24 -3.274 -6.047 7.448 1.00 0.00 N ATOM 360 CA ASN A 24 -4.701 -5.640 7.597 1.00 0.00 C ATOM 361 C ASN A 24 -5.263 -5.180 6.249 1.00 0.00 C ATOM 362 O ASN A 24 -6.448 -4.954 6.104 1.00 0.00 O ATOM 363 CB ASN A 24 -4.680 -4.481 8.594 1.00 0.00 C ATOM 364 CG ASN A 24 -3.741 -3.386 8.083 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.033 -3.578 7.115 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.706 -2.235 8.699 1.00 0.00 N ATOM 0 H ASN A 24 -2.661 -5.341 7.039 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.331 -6.460 7.940 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.686 -4.081 8.724 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.348 -4.833 9.571 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.084 -1.498 8.367 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.300 -2.073 9.512 1.00 0.00 H new ATOM 373 N GLY A 25 -4.421 -5.038 5.262 1.00 0.00 N ATOM 374 CA GLY A 25 -4.907 -4.592 3.926 1.00 0.00 C ATOM 375 C GLY A 25 -4.287 -3.237 3.583 1.00 0.00 C ATOM 376 O GLY A 25 -4.751 -2.536 2.706 1.00 0.00 O ATOM 0 H GLY A 25 -3.418 -5.212 5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.642 -5.328 3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.994 -4.516 3.930 1.00 0.00 H new ATOM 380 N SER A 26 -3.242 -2.862 4.268 1.00 0.00 N ATOM 381 CA SER A 26 -2.593 -1.551 3.978 1.00 0.00 C ATOM 382 C SER A 26 -1.073 -1.720 3.898 1.00 0.00 C ATOM 383 O SER A 26 -0.477 -2.436 4.677 1.00 0.00 O ATOM 384 CB SER A 26 -2.972 -0.654 5.156 1.00 0.00 C ATOM 385 OG SER A 26 -2.803 -1.375 6.369 1.00 0.00 O ATOM 0 H SER A 26 -2.809 -3.405 5.015 1.00 0.00 H new ATOM 0 HA SER A 26 -2.916 -1.131 3.025 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.349 0.241 5.162 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.006 -0.322 5.058 1.00 0.00 H new ATOM 0 HG SER A 26 -2.783 -2.336 6.178 1.00 0.00 H new ATOM 391 N ILE A 27 -0.444 -1.066 2.960 1.00 0.00 N ATOM 392 CA ILE A 27 1.036 -1.190 2.831 1.00 0.00 C ATOM 393 C ILE A 27 1.678 0.198 2.743 1.00 0.00 C ATOM 394 O ILE A 27 1.016 1.183 2.487 1.00 0.00 O ATOM 395 CB ILE A 27 1.257 -1.965 1.531 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.962 -1.053 0.337 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.320 -3.174 1.491 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.165 -1.831 -0.964 1.00 0.00 C ATOM 0 H ILE A 27 -0.890 -0.452 2.278 1.00 0.00 H new ATOM 0 HA ILE A 27 1.484 -1.694 3.688 1.00 0.00 H new ATOM 0 HB ILE A 27 2.291 -2.305 1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.061 -0.681 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.619 -0.184 0.359 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.478 -3.726 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.528 -3.824 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.715 -2.834 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.955 -1.181 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.196 -2.181 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.489 -2.686 -0.986 1.00 0.00 H new ATOM 410 N SER A 28 2.964 0.280 2.952 1.00 0.00 N ATOM 411 CA SER A 28 3.645 1.604 2.877 1.00 0.00 C ATOM 412 C SER A 28 3.941 1.959 1.418 1.00 0.00 C ATOM 413 O SER A 28 4.167 1.096 0.593 1.00 0.00 O ATOM 414 CB SER A 28 4.945 1.424 3.660 1.00 0.00 C ATOM 415 OG SER A 28 5.193 2.593 4.431 1.00 0.00 O ATOM 0 H SER A 28 3.571 -0.510 3.171 1.00 0.00 H new ATOM 0 HA SER A 28 3.034 2.410 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.873 0.553 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.774 1.243 2.975 1.00 0.00 H new ATOM 0 HG SER A 28 6.025 2.481 4.936 1.00 0.00 H new ATOM 421 N SER A 29 3.940 3.222 1.091 1.00 0.00 N ATOM 422 CA SER A 29 4.220 3.627 -0.317 1.00 0.00 C ATOM 423 C SER A 29 5.393 2.818 -0.875 1.00 0.00 C ATOM 424 O SER A 29 5.287 2.181 -1.905 1.00 0.00 O ATOM 425 CB SER A 29 4.577 5.110 -0.239 1.00 0.00 C ATOM 426 OG SER A 29 5.678 5.373 -1.101 1.00 0.00 O ATOM 0 H SER A 29 3.758 3.991 1.736 1.00 0.00 H new ATOM 0 HA SER A 29 3.370 3.448 -0.976 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.720 5.718 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.829 5.382 0.786 1.00 0.00 H new ATOM 0 HG SER A 29 5.358 5.817 -1.914 1.00 0.00 H new ATOM 432 N SER A 30 6.513 2.839 -0.205 1.00 0.00 N ATOM 433 CA SER A 30 7.691 2.069 -0.700 1.00 0.00 C ATOM 434 C SER A 30 7.266 0.655 -1.104 1.00 0.00 C ATOM 435 O SER A 30 7.810 0.070 -2.018 1.00 0.00 O ATOM 436 CB SER A 30 8.657 2.021 0.483 1.00 0.00 C ATOM 437 OG SER A 30 9.803 2.808 0.184 1.00 0.00 O ATOM 0 H SER A 30 6.664 3.355 0.662 1.00 0.00 H new ATOM 0 HA SER A 30 8.145 2.527 -1.579 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.168 2.396 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.951 0.991 0.686 1.00 0.00 H new ATOM 0 HG SER A 30 10.425 2.781 0.941 1.00 0.00 H new ATOM 443 N GLU A 31 6.295 0.104 -0.428 1.00 0.00 N ATOM 444 CA GLU A 31 5.834 -1.272 -0.773 1.00 0.00 C ATOM 445 C GLU A 31 4.935 -1.234 -2.012 1.00 0.00 C ATOM 446 O GLU A 31 4.953 -2.131 -2.832 1.00 0.00 O ATOM 447 CB GLU A 31 5.043 -1.743 0.449 1.00 0.00 C ATOM 448 CG GLU A 31 5.892 -1.560 1.710 1.00 0.00 C ATOM 449 CD GLU A 31 6.874 -2.726 1.839 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.636 -2.940 0.911 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.845 -3.387 2.865 1.00 0.00 O ATOM 0 H GLU A 31 5.801 0.546 0.347 1.00 0.00 H new ATOM 0 HA GLU A 31 6.664 -1.940 -1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.116 -1.175 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.765 -2.791 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.436 -0.617 1.661 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.250 -1.513 2.590 1.00 0.00 H new ATOM 458 N LEU A 32 4.149 -0.201 -2.155 1.00 0.00 N ATOM 459 CA LEU A 32 3.252 -0.108 -3.342 1.00 0.00 C ATOM 460 C LEU A 32 4.077 -0.164 -4.630 1.00 0.00 C ATOM 461 O LEU A 32 3.623 -0.647 -5.649 1.00 0.00 O ATOM 462 CB LEU A 32 2.552 1.246 -3.208 1.00 0.00 C ATOM 463 CG LEU A 32 1.789 1.555 -4.496 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.929 0.351 -4.883 1.00 0.00 C ATOM 465 CD2 LEU A 32 0.891 2.773 -4.275 1.00 0.00 C ATOM 0 H LEU A 32 4.089 0.581 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 32 2.537 -0.930 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.866 1.230 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.285 2.028 -3.010 1.00 0.00 H new ATOM 0 HG LEU A 32 2.498 1.765 -5.297 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.385 0.572 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.569 -0.517 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.219 0.139 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.346 2.995 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.182 2.562 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.504 3.632 -4.000 1.00 0.00 H new ATOM 477 N ALA A 33 5.286 0.325 -4.593 1.00 0.00 N ATOM 478 CA ALA A 33 6.139 0.294 -5.815 1.00 0.00 C ATOM 479 C ALA A 33 6.432 -1.156 -6.207 1.00 0.00 C ATOM 480 O ALA A 33 6.296 -1.540 -7.353 1.00 0.00 O ATOM 481 CB ALA A 33 7.428 1.015 -5.420 1.00 0.00 C ATOM 0 H ALA A 33 5.720 0.744 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 33 5.658 0.768 -6.671 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.110 1.033 -6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.196 2.036 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.899 0.490 -4.589 1.00 0.00 H new ATOM 487 N THR A 34 6.828 -1.966 -5.264 1.00 0.00 N ATOM 488 CA THR A 34 7.123 -3.391 -5.584 1.00 0.00 C ATOM 489 C THR A 34 5.871 -4.068 -6.147 1.00 0.00 C ATOM 490 O THR A 34 5.851 -4.520 -7.274 1.00 0.00 O ATOM 491 CB THR A 34 7.522 -4.026 -4.252 1.00 0.00 C ATOM 492 OG1 THR A 34 8.823 -3.587 -3.890 1.00 0.00 O ATOM 493 CG2 THR A 34 7.514 -5.548 -4.393 1.00 0.00 C ATOM 0 H THR A 34 6.960 -1.703 -4.287 1.00 0.00 H new ATOM 0 HA THR A 34 7.909 -3.494 -6.332 1.00 0.00 H new ATOM 0 HB THR A 34 6.813 -3.730 -3.479 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.079 -3.992 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.798 -6.003 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.514 -5.882 -4.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.224 -5.846 -5.165 1.00 0.00 H new ATOM 501 N VAL A 35 4.823 -4.135 -5.370 1.00 0.00 N ATOM 502 CA VAL A 35 3.571 -4.776 -5.865 1.00 0.00 C ATOM 503 C VAL A 35 3.261 -4.284 -7.281 1.00 0.00 C ATOM 504 O VAL A 35 2.757 -5.015 -8.111 1.00 0.00 O ATOM 505 CB VAL A 35 2.482 -4.325 -4.892 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.823 -4.808 -3.482 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.394 -2.798 -4.896 1.00 0.00 C ATOM 0 H VAL A 35 4.780 -3.775 -4.417 1.00 0.00 H new ATOM 0 HA VAL A 35 3.649 -5.862 -5.910 1.00 0.00 H new ATOM 0 HB VAL A 35 1.525 -4.747 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.046 -4.486 -2.789 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.887 -5.896 -3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.780 -4.387 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.617 -2.476 -4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.352 -2.378 -4.589 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.150 -2.450 -5.900 1.00 0.00 H new ATOM 517 N MET A 36 3.563 -3.044 -7.559 1.00 0.00 N ATOM 518 CA MET A 36 3.290 -2.491 -8.916 1.00 0.00 C ATOM 519 C MET A 36 4.036 -3.298 -9.982 1.00 0.00 C ATOM 520 O MET A 36 3.436 -3.888 -10.858 1.00 0.00 O ATOM 521 CB MET A 36 3.815 -1.054 -8.865 1.00 0.00 C ATOM 522 CG MET A 36 3.336 -0.289 -10.100 1.00 0.00 C ATOM 523 SD MET A 36 1.527 -0.320 -10.168 1.00 0.00 S ATOM 524 CE MET A 36 1.322 1.027 -11.359 1.00 0.00 C ATOM 0 H MET A 36 3.988 -2.389 -6.903 1.00 0.00 H new ATOM 0 HA MET A 36 2.232 -2.533 -9.174 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.463 -0.560 -7.959 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.904 -1.055 -8.825 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.691 0.741 -10.063 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.752 -0.737 -11.002 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.261 1.184 -11.552 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.756 1.941 -10.953 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.826 0.769 -12.290 1.00 0.00 H new ATOM 534 N ARG A 37 5.339 -3.329 -9.916 1.00 0.00 N ATOM 535 CA ARG A 37 6.120 -4.097 -10.930 1.00 0.00 C ATOM 536 C ARG A 37 5.906 -5.602 -10.740 1.00 0.00 C ATOM 537 O ARG A 37 6.156 -6.391 -11.628 1.00 0.00 O ATOM 538 CB ARG A 37 7.579 -3.727 -10.665 1.00 0.00 C ATOM 539 CG ARG A 37 8.486 -4.524 -11.605 1.00 0.00 C ATOM 540 CD ARG A 37 9.168 -5.650 -10.824 1.00 0.00 C ATOM 541 NE ARG A 37 10.212 -4.972 -10.007 1.00 0.00 N ATOM 542 CZ ARG A 37 11.263 -5.637 -9.610 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.247 -5.860 -10.438 1.00 0.00 N ATOM 544 NH2 ARG A 37 11.330 -6.080 -8.384 1.00 0.00 N ATOM 0 H ARG A 37 5.897 -2.857 -9.205 1.00 0.00 H new ATOM 0 HA ARG A 37 5.815 -3.861 -11.950 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.728 -2.658 -10.818 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.836 -3.939 -9.627 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.902 -4.939 -12.426 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.236 -3.868 -12.047 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.455 -6.181 -10.193 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.609 -6.386 -11.496 1.00 0.00 H new ATOM 0 HE ARG A 37 10.106 -3.989 -9.758 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.195 -5.515 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.068 -6.380 -10.127 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.561 -5.907 -7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.151 -6.600 -8.074 1.00 0.00 H new ATOM 558 N SER A 38 5.451 -6.005 -9.585 1.00 0.00 N ATOM 559 CA SER A 38 5.228 -7.458 -9.335 1.00 0.00 C ATOM 560 C SER A 38 4.049 -7.970 -10.166 1.00 0.00 C ATOM 561 O SER A 38 4.023 -9.111 -10.584 1.00 0.00 O ATOM 562 CB SER A 38 4.914 -7.559 -7.843 1.00 0.00 C ATOM 563 OG SER A 38 5.969 -6.959 -7.101 1.00 0.00 O ATOM 0 H SER A 38 5.224 -5.391 -8.803 1.00 0.00 H new ATOM 0 HA SER A 38 6.094 -8.059 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.970 -7.061 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.798 -8.603 -7.554 1.00 0.00 H new ATOM 0 HG SER A 38 6.115 -6.044 -7.421 1.00 0.00 H new ATOM 569 N LEU A 39 3.072 -7.141 -10.407 1.00 0.00 N ATOM 570 CA LEU A 39 1.898 -7.593 -11.210 1.00 0.00 C ATOM 571 C LEU A 39 2.323 -7.897 -12.649 1.00 0.00 C ATOM 572 O LEU A 39 1.726 -8.713 -13.323 1.00 0.00 O ATOM 573 CB LEU A 39 0.911 -6.424 -11.177 1.00 0.00 C ATOM 574 CG LEU A 39 0.126 -6.444 -9.862 1.00 0.00 C ATOM 575 CD1 LEU A 39 -1.001 -5.411 -9.926 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.476 -7.834 -9.643 1.00 0.00 C ATOM 0 H LEU A 39 3.034 -6.174 -10.085 1.00 0.00 H new ATOM 0 HA LEU A 39 1.457 -8.506 -10.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.447 -5.480 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.225 -6.491 -12.022 1.00 0.00 H new ATOM 0 HG LEU A 39 0.798 -6.205 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.560 -5.424 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.577 -4.419 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.670 -5.653 -10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.034 -7.845 -8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.147 -8.074 -10.468 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.323 -8.574 -9.598 1.00 0.00 H new ATOM 588 N GLY A 40 3.350 -7.250 -13.128 1.00 0.00 N ATOM 589 CA GLY A 40 3.808 -7.511 -14.524 1.00 0.00 C ATOM 590 C GLY A 40 4.052 -6.183 -15.243 1.00 0.00 C ATOM 591 O GLY A 40 3.794 -6.049 -16.423 1.00 0.00 O ATOM 0 H GLY A 40 3.891 -6.554 -12.616 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.723 -8.103 -14.512 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.059 -8.094 -15.060 1.00 0.00 H new ATOM 595 N LEU A 41 4.552 -5.201 -14.545 1.00 0.00 N ATOM 596 CA LEU A 41 4.816 -3.884 -15.195 1.00 0.00 C ATOM 597 C LEU A 41 6.125 -3.289 -14.670 1.00 0.00 C ATOM 598 O LEU A 41 6.774 -3.854 -13.812 1.00 0.00 O ATOM 599 CB LEU A 41 3.630 -2.996 -14.809 1.00 0.00 C ATOM 600 CG LEU A 41 3.282 -3.209 -13.334 1.00 0.00 C ATOM 601 CD1 LEU A 41 2.721 -1.912 -12.749 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.231 -4.315 -13.215 1.00 0.00 C ATOM 0 H LEU A 41 4.789 -5.252 -13.554 1.00 0.00 H new ATOM 0 HA LEU A 41 4.917 -3.974 -16.277 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.875 -1.949 -14.987 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.768 -3.232 -15.433 1.00 0.00 H new ATOM 0 HG LEU A 41 4.180 -3.496 -12.787 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.473 -2.064 -11.698 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.467 -1.122 -12.835 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.823 -1.625 -13.296 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.982 -4.468 -12.165 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.334 -4.025 -13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.628 -5.240 -13.633 1.00 0.00 H new ATOM 614 N SER A 42 6.519 -2.154 -15.179 1.00 0.00 N ATOM 615 CA SER A 42 7.787 -1.527 -14.708 1.00 0.00 C ATOM 616 C SER A 42 7.889 -0.088 -15.220 1.00 0.00 C ATOM 617 O SER A 42 8.457 0.162 -16.264 1.00 0.00 O ATOM 618 CB SER A 42 8.899 -2.387 -15.304 1.00 0.00 C ATOM 619 OG SER A 42 9.214 -3.440 -14.402 1.00 0.00 O ATOM 0 H SER A 42 6.019 -1.634 -15.900 1.00 0.00 H new ATOM 0 HA SER A 42 7.845 -1.481 -13.621 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.583 -2.797 -16.263 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.783 -1.778 -15.493 1.00 0.00 H new ATOM 0 HG SER A 42 8.429 -4.015 -14.283 1.00 0.00 H new ATOM 625 N PRO A 43 7.331 0.814 -14.458 1.00 0.00 N ATOM 626 CA PRO A 43 7.356 2.250 -14.831 1.00 0.00 C ATOM 627 C PRO A 43 8.768 2.819 -14.663 1.00 0.00 C ATOM 628 O PRO A 43 9.741 2.092 -14.643 1.00 0.00 O ATOM 629 CB PRO A 43 6.387 2.893 -13.842 1.00 0.00 C ATOM 630 CG PRO A 43 6.369 1.970 -12.665 1.00 0.00 C ATOM 631 CD PRO A 43 6.632 0.583 -13.190 1.00 0.00 C ATOM 0 HA PRO A 43 7.078 2.430 -15.869 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.719 3.891 -13.556 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.393 3.000 -14.276 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.128 2.258 -11.938 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.406 2.014 -12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.242 0.002 -12.498 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.705 0.030 -13.340 1.00 0.00 H new ATOM 639 N SER A 44 8.889 4.113 -14.544 1.00 0.00 N ATOM 640 CA SER A 44 10.240 4.722 -14.379 1.00 0.00 C ATOM 641 C SER A 44 10.271 5.613 -13.134 1.00 0.00 C ATOM 642 O SER A 44 9.247 6.025 -12.628 1.00 0.00 O ATOM 643 CB SER A 44 10.453 5.557 -15.641 1.00 0.00 C ATOM 644 OG SER A 44 9.602 5.075 -16.672 1.00 0.00 O ATOM 0 H SER A 44 8.112 4.774 -14.554 1.00 0.00 H new ATOM 0 HA SER A 44 11.019 3.971 -14.250 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.238 6.606 -15.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.495 5.500 -15.957 1.00 0.00 H new ATOM 0 HG SER A 44 9.735 5.610 -17.483 1.00 0.00 H new ATOM 650 N GLU A 45 11.441 5.913 -12.637 1.00 0.00 N ATOM 651 CA GLU A 45 11.535 6.778 -11.427 1.00 0.00 C ATOM 652 C GLU A 45 10.560 7.952 -11.540 1.00 0.00 C ATOM 653 O GLU A 45 9.630 8.075 -10.768 1.00 0.00 O ATOM 654 CB GLU A 45 12.980 7.280 -11.409 1.00 0.00 C ATOM 655 CG GLU A 45 13.873 6.243 -10.726 1.00 0.00 C ATOM 656 CD GLU A 45 14.448 6.834 -9.438 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.113 7.854 -9.523 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.215 6.258 -8.388 1.00 0.00 O ATOM 0 H GLU A 45 12.334 5.597 -13.016 1.00 0.00 H new ATOM 0 HA GLU A 45 11.280 6.240 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.326 7.460 -12.427 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.039 8.231 -10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.299 5.344 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.681 5.946 -11.395 1.00 0.00 H new ATOM 665 N ALA A 46 10.762 8.814 -12.499 1.00 0.00 N ATOM 666 CA ALA A 46 9.842 9.976 -12.661 1.00 0.00 C ATOM 667 C ALA A 46 8.390 9.520 -12.499 1.00 0.00 C ATOM 668 O ALA A 46 7.606 10.144 -11.810 1.00 0.00 O ATOM 669 CB ALA A 46 10.090 10.484 -14.081 1.00 0.00 C ATOM 0 H ALA A 46 11.523 8.764 -13.176 1.00 0.00 H new ATOM 0 HA ALA A 46 10.018 10.752 -11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.448 11.342 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.134 10.781 -14.184 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.866 9.692 -14.795 1.00 0.00 H new ATOM 675 N GLU A 47 8.027 8.434 -13.123 1.00 0.00 N ATOM 676 CA GLU A 47 6.628 7.935 -13.001 1.00 0.00 C ATOM 677 C GLU A 47 6.322 7.591 -11.541 1.00 0.00 C ATOM 678 O GLU A 47 5.225 7.798 -11.061 1.00 0.00 O ATOM 679 CB GLU A 47 6.577 6.679 -13.871 1.00 0.00 C ATOM 680 CG GLU A 47 5.297 6.690 -14.710 1.00 0.00 C ATOM 681 CD GLU A 47 5.647 6.441 -16.178 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.376 5.499 -16.442 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.180 7.196 -17.014 1.00 0.00 O ATOM 0 H GLU A 47 8.639 7.870 -13.713 1.00 0.00 H new ATOM 0 HA GLU A 47 5.893 8.676 -13.316 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.451 6.639 -14.522 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.606 5.788 -13.244 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.610 5.923 -14.354 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.788 7.648 -14.604 1.00 0.00 H new ATOM 690 N VAL A 48 7.285 7.071 -10.833 1.00 0.00 N ATOM 691 CA VAL A 48 7.053 6.716 -9.403 1.00 0.00 C ATOM 692 C VAL A 48 6.914 7.987 -8.563 1.00 0.00 C ATOM 693 O VAL A 48 6.049 8.093 -7.716 1.00 0.00 O ATOM 694 CB VAL A 48 8.295 5.929 -8.980 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.007 5.182 -7.677 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.660 4.921 -10.073 1.00 0.00 C ATOM 0 H VAL A 48 8.223 6.876 -11.182 1.00 0.00 H new ATOM 0 HA VAL A 48 6.139 6.138 -9.264 1.00 0.00 H new ATOM 0 HB VAL A 48 9.126 6.619 -8.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.892 4.621 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.748 5.898 -6.897 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.176 4.494 -7.828 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.545 4.361 -9.771 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.829 4.232 -10.225 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.866 5.451 -11.003 1.00 0.00 H new ATOM 706 N ASN A 49 7.759 8.954 -8.791 1.00 0.00 N ATOM 707 CA ASN A 49 7.677 10.220 -8.007 1.00 0.00 C ATOM 708 C ASN A 49 6.260 10.796 -8.080 1.00 0.00 C ATOM 709 O ASN A 49 5.657 11.116 -7.075 1.00 0.00 O ATOM 710 CB ASN A 49 8.675 11.165 -8.675 1.00 0.00 C ATOM 711 CG ASN A 49 9.440 11.943 -7.602 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.873 12.771 -6.915 1.00 0.00 O ATOM 713 ND2 ASN A 49 10.712 11.712 -7.428 1.00 0.00 N ATOM 0 H ASN A 49 8.504 8.923 -9.487 1.00 0.00 H new ATOM 0 HA ASN A 49 7.904 10.068 -6.952 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.371 10.598 -9.293 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.151 11.856 -9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 49 11.231 12.226 -6.716 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.188 11.018 -8.004 1.00 0.00 H new ATOM 720 N ASP A 50 5.723 10.927 -9.263 1.00 0.00 N ATOM 721 CA ASP A 50 4.346 11.481 -9.399 1.00 0.00 C ATOM 722 C ASP A 50 3.319 10.481 -8.857 1.00 0.00 C ATOM 723 O ASP A 50 2.369 10.850 -8.196 1.00 0.00 O ATOM 724 CB ASP A 50 4.150 11.691 -10.900 1.00 0.00 C ATOM 725 CG ASP A 50 5.136 12.749 -11.400 1.00 0.00 C ATOM 726 OD1 ASP A 50 6.314 12.443 -11.473 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.696 13.845 -11.703 1.00 0.00 O ATOM 0 H ASP A 50 6.178 10.674 -10.140 1.00 0.00 H new ATOM 0 HA ASP A 50 4.215 12.407 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.306 10.753 -11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.127 12.007 -11.103 1.00 0.00 H new ATOM 732 N LEU A 51 3.505 9.220 -9.133 1.00 0.00 N ATOM 733 CA LEU A 51 2.542 8.197 -8.634 1.00 0.00 C ATOM 734 C LEU A 51 2.529 8.185 -7.102 1.00 0.00 C ATOM 735 O LEU A 51 1.507 7.968 -6.482 1.00 0.00 O ATOM 736 CB LEU A 51 3.059 6.866 -9.177 1.00 0.00 C ATOM 737 CG LEU A 51 2.247 5.717 -8.576 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.930 5.569 -9.339 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.047 4.418 -8.684 1.00 0.00 C ATOM 0 H LEU A 51 4.282 8.853 -9.682 1.00 0.00 H new ATOM 0 HA LEU A 51 1.521 8.399 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.981 6.850 -10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.114 6.747 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 51 2.037 5.930 -7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.351 4.750 -8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.360 6.495 -9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.139 5.356 -10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.470 3.598 -8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.256 4.206 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.986 4.523 -8.140 1.00 0.00 H new ATOM 751 N MET A 52 3.658 8.418 -6.489 1.00 0.00 N ATOM 752 CA MET A 52 3.710 8.419 -4.999 1.00 0.00 C ATOM 753 C MET A 52 3.234 9.769 -4.454 1.00 0.00 C ATOM 754 O MET A 52 2.329 9.839 -3.646 1.00 0.00 O ATOM 755 CB MET A 52 5.182 8.191 -4.654 1.00 0.00 C ATOM 756 CG MET A 52 5.590 6.777 -5.070 1.00 0.00 C ATOM 757 SD MET A 52 5.111 5.604 -3.777 1.00 0.00 S ATOM 758 CE MET A 52 3.907 4.670 -4.752 1.00 0.00 C ATOM 0 H MET A 52 4.545 8.607 -6.955 1.00 0.00 H new ATOM 0 HA MET A 52 3.066 7.655 -4.563 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.804 8.926 -5.165 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.341 8.327 -3.584 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.111 6.511 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.666 6.732 -5.236 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.809 3.664 -4.343 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.940 5.172 -4.715 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.245 4.610 -5.787 1.00 0.00 H new ATOM 768 N ASN A 53 3.836 10.841 -4.892 1.00 0.00 N ATOM 769 CA ASN A 53 3.418 12.185 -4.398 1.00 0.00 C ATOM 770 C ASN A 53 1.898 12.340 -4.512 1.00 0.00 C ATOM 771 O ASN A 53 1.287 13.108 -3.797 1.00 0.00 O ATOM 772 CB ASN A 53 4.128 13.182 -5.314 1.00 0.00 C ATOM 773 CG ASN A 53 5.242 13.886 -4.536 1.00 0.00 C ATOM 774 OD1 ASN A 53 6.407 13.732 -4.847 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.932 14.656 -3.530 1.00 0.00 N ATOM 0 H ASN A 53 4.598 10.845 -5.570 1.00 0.00 H new ATOM 0 HA ASN A 53 3.676 12.339 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.544 12.665 -6.179 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.416 13.915 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.667 15.129 -3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.954 14.785 -3.269 1.00 0.00 H new ATOM 782 N GLU A 54 1.285 11.614 -5.407 1.00 0.00 N ATOM 783 CA GLU A 54 -0.194 11.719 -5.567 1.00 0.00 C ATOM 784 C GLU A 54 -0.902 10.990 -4.422 1.00 0.00 C ATOM 785 O GLU A 54 -2.085 11.161 -4.201 1.00 0.00 O ATOM 786 CB GLU A 54 -0.498 11.043 -6.903 1.00 0.00 C ATOM 787 CG GLU A 54 -0.814 12.108 -7.955 1.00 0.00 C ATOM 788 CD GLU A 54 -1.997 11.646 -8.810 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.653 10.697 -8.414 1.00 0.00 O ATOM 790 OE2 GLU A 54 -2.226 12.249 -9.844 1.00 0.00 O ATOM 0 H GLU A 54 1.744 10.953 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.539 12.753 -5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.355 10.444 -7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.343 10.363 -6.794 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.050 13.055 -7.470 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.058 12.282 -8.585 1.00 0.00 H new ATOM 797 N ILE A 55 -0.189 10.177 -3.692 1.00 0.00 N ATOM 798 CA ILE A 55 -0.822 9.437 -2.563 1.00 0.00 C ATOM 799 C ILE A 55 0.013 9.600 -1.289 1.00 0.00 C ATOM 800 O ILE A 55 -0.514 9.766 -0.207 1.00 0.00 O ATOM 801 CB ILE A 55 -0.840 7.976 -3.007 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.620 7.143 -1.987 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.593 7.452 -3.103 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.403 5.655 -2.268 1.00 0.00 C ATOM 0 H ILE A 55 0.805 9.993 -3.828 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.822 9.807 -2.337 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.320 7.900 -3.983 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.290 7.385 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.682 7.383 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.579 6.409 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.149 8.044 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.074 7.528 -2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.959 5.063 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.754 5.419 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.341 5.421 -2.191 1.00 0.00 H new ATOM 816 N ASP A 56 1.312 9.556 -1.410 1.00 0.00 N ATOM 817 CA ASP A 56 2.178 9.709 -0.206 1.00 0.00 C ATOM 818 C ASP A 56 1.995 11.101 0.403 1.00 0.00 C ATOM 819 O ASP A 56 2.279 12.104 -0.220 1.00 0.00 O ATOM 820 CB ASP A 56 3.607 9.532 -0.720 1.00 0.00 C ATOM 821 CG ASP A 56 4.471 8.907 0.377 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.441 9.412 1.487 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.147 7.933 0.088 1.00 0.00 O ATOM 0 H ASP A 56 1.811 9.421 -2.289 1.00 0.00 H new ATOM 0 HA ASP A 56 1.933 8.987 0.573 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.610 8.897 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.020 10.496 -1.018 1.00 0.00 H new ATOM 828 N VAL A 57 1.522 11.170 1.618 1.00 0.00 N ATOM 829 CA VAL A 57 1.322 12.499 2.266 1.00 0.00 C ATOM 830 C VAL A 57 2.260 12.648 3.467 1.00 0.00 C ATOM 831 O VAL A 57 2.457 13.731 3.981 1.00 0.00 O ATOM 832 CB VAL A 57 -0.137 12.500 2.722 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.408 13.746 3.566 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.054 12.506 1.496 1.00 0.00 C ATOM 0 H VAL A 57 1.266 10.365 2.190 1.00 0.00 H new ATOM 0 HA VAL A 57 1.539 13.326 1.590 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.331 11.608 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.448 13.746 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.245 13.743 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.214 14.638 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.095 12.507 1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.859 13.398 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.862 11.618 0.894 1.00 0.00 H new ATOM 844 N ASP A 58 2.839 11.569 3.918 1.00 0.00 N ATOM 845 CA ASP A 58 3.763 11.651 5.085 1.00 0.00 C ATOM 846 C ASP A 58 5.037 10.849 4.808 1.00 0.00 C ATOM 847 O ASP A 58 5.777 10.510 5.710 1.00 0.00 O ATOM 848 CB ASP A 58 2.986 11.038 6.250 1.00 0.00 C ATOM 849 CG ASP A 58 1.561 11.594 6.263 1.00 0.00 C ATOM 850 OD1 ASP A 58 1.392 12.728 6.683 1.00 0.00 O ATOM 851 OD2 ASP A 58 0.662 10.879 5.853 1.00 0.00 O ATOM 0 H ASP A 58 2.712 10.635 3.529 1.00 0.00 H new ATOM 0 HA ASP A 58 4.072 12.675 5.296 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.963 9.952 6.154 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.485 11.264 7.192 1.00 0.00 H new ATOM 856 N GLY A 59 5.300 10.544 3.567 1.00 0.00 N ATOM 857 CA GLY A 59 6.526 9.764 3.234 1.00 0.00 C ATOM 858 C GLY A 59 6.217 8.269 3.308 1.00 0.00 C ATOM 859 O GLY A 59 6.265 7.565 2.319 1.00 0.00 O ATOM 0 H GLY A 59 4.719 10.801 2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.875 10.025 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.329 10.015 3.928 1.00 0.00 H new ATOM 863 N ASN A 60 5.899 7.777 4.474 1.00 0.00 N ATOM 864 CA ASN A 60 5.588 6.324 4.612 1.00 0.00 C ATOM 865 C ASN A 60 4.123 6.133 5.013 1.00 0.00 C ATOM 866 O ASN A 60 3.798 5.302 5.836 1.00 0.00 O ATOM 867 CB ASN A 60 6.517 5.823 5.718 1.00 0.00 C ATOM 868 CG ASN A 60 7.867 5.434 5.114 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.458 6.197 4.374 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.385 4.271 5.400 1.00 0.00 N ATOM 0 H ASN A 60 5.841 8.317 5.337 1.00 0.00 H new ATOM 0 HA ASN A 60 5.735 5.780 3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.654 6.599 6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.071 4.965 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.285 4.002 5.003 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.890 3.631 6.021 1.00 0.00 H new ATOM 877 N HIS A 61 3.235 6.896 4.435 1.00 0.00 N ATOM 878 CA HIS A 61 1.792 6.758 4.784 1.00 0.00 C ATOM 879 C HIS A 61 1.354 5.297 4.649 1.00 0.00 C ATOM 880 O HIS A 61 2.034 4.488 4.051 1.00 0.00 O ATOM 881 CB HIS A 61 1.054 7.637 3.774 1.00 0.00 C ATOM 882 CG HIS A 61 1.094 6.986 2.419 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.987 5.971 2.113 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.359 7.196 1.278 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.767 5.609 0.835 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.785 6.325 0.280 1.00 0.00 N ATOM 0 H HIS A 61 3.446 7.609 3.737 1.00 0.00 H new ATOM 0 HA HIS A 61 1.584 7.058 5.811 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.021 7.782 4.089 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.515 8.624 3.729 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.684 5.571 2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.430 7.926 1.172 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.317 4.834 0.321 1.00 0.00 H new ATOM 894 N GLN A 62 0.220 4.955 5.198 1.00 0.00 N ATOM 895 CA GLN A 62 -0.260 3.546 5.099 1.00 0.00 C ATOM 896 C GLN A 62 -1.245 3.405 3.935 1.00 0.00 C ATOM 897 O GLN A 62 -2.393 3.790 4.030 1.00 0.00 O ATOM 898 CB GLN A 62 -0.960 3.271 6.430 1.00 0.00 C ATOM 899 CG GLN A 62 -2.178 4.186 6.566 1.00 0.00 C ATOM 900 CD GLN A 62 -2.233 4.755 7.985 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.354 4.510 8.785 1.00 0.00 O ATOM 902 NE2 GLN A 62 -3.239 5.511 8.333 1.00 0.00 N ATOM 0 H GLN A 62 -0.394 5.589 5.710 1.00 0.00 H new ATOM 0 HA GLN A 62 0.553 2.844 4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.269 2.227 6.481 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.271 3.440 7.257 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.120 4.997 5.840 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.090 3.630 6.350 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.978 5.717 7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.286 5.895 9.277 1.00 0.00 H new ATOM 911 N ILE A 63 -0.803 2.856 2.836 1.00 0.00 N ATOM 912 CA ILE A 63 -1.714 2.691 1.667 1.00 0.00 C ATOM 913 C ILE A 63 -2.772 1.625 1.966 1.00 0.00 C ATOM 914 O ILE A 63 -2.718 0.949 2.974 1.00 0.00 O ATOM 915 CB ILE A 63 -0.808 2.238 0.522 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.224 3.330 0.228 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.652 1.986 -0.730 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.071 2.921 -0.978 1.00 0.00 C ATOM 0 H ILE A 63 0.148 2.515 2.697 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.248 3.610 1.427 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.297 1.318 0.806 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.279 4.276 0.028 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.862 3.486 1.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.005 1.663 -1.546 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.389 1.210 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.164 2.905 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.806 3.699 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.585 1.985 -0.761 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.426 2.788 -1.847 1.00 0.00 H new ATOM 930 N GLU A 64 -3.734 1.472 1.098 1.00 0.00 N ATOM 931 CA GLU A 64 -4.795 0.449 1.332 1.00 0.00 C ATOM 932 C GLU A 64 -5.089 -0.312 0.037 1.00 0.00 C ATOM 933 O GLU A 64 -5.317 0.276 -1.002 1.00 0.00 O ATOM 934 CB GLU A 64 -6.022 1.246 1.778 1.00 0.00 C ATOM 935 CG GLU A 64 -6.467 0.770 3.161 1.00 0.00 C ATOM 936 CD GLU A 64 -7.425 -0.413 3.009 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.955 -1.496 2.701 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.613 -0.216 3.205 1.00 0.00 O ATOM 0 H GLU A 64 -3.832 2.010 0.237 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.499 -0.292 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.787 2.310 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.832 1.118 1.060 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.600 0.476 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.958 1.583 3.697 1.00 0.00 H new ATOM 945 N PHE A 65 -5.085 -1.616 0.089 1.00 0.00 N ATOM 946 CA PHE A 65 -5.364 -2.412 -1.140 1.00 0.00 C ATOM 947 C PHE A 65 -6.536 -1.799 -1.912 1.00 0.00 C ATOM 948 O PHE A 65 -6.512 -1.701 -3.122 1.00 0.00 O ATOM 949 CB PHE A 65 -5.725 -3.809 -0.636 1.00 0.00 C ATOM 950 CG PHE A 65 -5.885 -4.742 -1.812 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.898 -4.795 -2.803 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.020 -5.555 -1.912 1.00 0.00 C ATOM 953 CE1 PHE A 65 -5.046 -5.659 -3.894 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.169 -6.421 -3.002 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.181 -6.472 -3.994 1.00 0.00 C ATOM 0 H PHE A 65 -4.901 -2.164 0.929 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.512 -2.433 -1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.947 -4.179 0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.649 -3.772 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.022 -4.169 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.782 -5.514 -1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.284 -5.698 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.044 -7.049 -3.078 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.295 -7.139 -4.836 1.00 0.00 H new ATOM 965 N SER A 66 -7.563 -1.386 -1.220 1.00 0.00 N ATOM 966 CA SER A 66 -8.735 -0.780 -1.914 1.00 0.00 C ATOM 967 C SER A 66 -8.286 0.411 -2.766 1.00 0.00 C ATOM 968 O SER A 66 -8.079 0.292 -3.957 1.00 0.00 O ATOM 969 CB SER A 66 -9.664 -0.318 -0.793 1.00 0.00 C ATOM 970 OG SER A 66 -10.497 0.729 -1.276 1.00 0.00 O ATOM 0 H SER A 66 -7.641 -1.442 -0.205 1.00 0.00 H new ATOM 0 HA SER A 66 -9.227 -1.483 -2.586 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.273 -1.151 -0.443 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.080 0.030 0.059 1.00 0.00 H new ATOM 0 HG SER A 66 -11.096 1.027 -0.560 1.00 0.00 H new ATOM 976 N GLU A 67 -8.133 1.560 -2.164 1.00 0.00 N ATOM 977 CA GLU A 67 -7.697 2.755 -2.939 1.00 0.00 C ATOM 978 C GLU A 67 -6.546 2.383 -3.879 1.00 0.00 C ATOM 979 O GLU A 67 -6.507 2.792 -5.022 1.00 0.00 O ATOM 980 CB GLU A 67 -7.229 3.761 -1.888 1.00 0.00 C ATOM 981 CG GLU A 67 -5.924 3.270 -1.256 1.00 0.00 C ATOM 982 CD GLU A 67 -5.516 4.217 -0.127 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.971 5.349 -0.135 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.755 3.794 0.728 1.00 0.00 O ATOM 0 H GLU A 67 -8.291 1.722 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.496 3.159 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.078 4.738 -2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.993 3.883 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.053 2.259 -0.869 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.137 3.225 -2.009 1.00 0.00 H new ATOM 991 N PHE A 68 -5.609 1.609 -3.404 1.00 0.00 N ATOM 992 CA PHE A 68 -4.462 1.209 -4.271 1.00 0.00 C ATOM 993 C PHE A 68 -4.964 0.814 -5.661 1.00 0.00 C ATOM 994 O PHE A 68 -4.583 1.395 -6.658 1.00 0.00 O ATOM 995 CB PHE A 68 -3.832 0.010 -3.562 1.00 0.00 C ATOM 996 CG PHE A 68 -2.915 -0.720 -4.515 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.264 -0.016 -5.536 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.718 -2.099 -4.379 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.415 -0.693 -6.419 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.870 -2.775 -5.263 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.218 -2.072 -6.283 1.00 0.00 C ATOM 0 H PHE A 68 -5.587 1.236 -2.455 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.746 2.019 -4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.273 0.344 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.611 -0.663 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.417 1.048 -5.642 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.221 -2.641 -3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.912 -0.151 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.718 -3.839 -5.158 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.563 -2.594 -6.965 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.817 -0.172 -5.736 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.342 -0.605 -7.063 1.00 0.00 C ATOM 1013 C LEU A 69 -7.409 0.377 -7.554 1.00 0.00 C ATOM 1014 O LEU A 69 -7.501 0.670 -8.730 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.953 -1.985 -6.816 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.931 -3.067 -7.170 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.583 -2.729 -6.531 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.418 -4.418 -6.643 1.00 0.00 C ATOM 0 H LEU A 69 -6.173 -0.696 -4.936 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.564 -0.636 -7.826 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.252 -2.080 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.853 -2.109 -7.418 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.816 -3.116 -8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.856 -3.501 -6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.235 -1.766 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.696 -2.679 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.691 -5.190 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.533 -4.366 -5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.378 -4.662 -7.098 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.213 0.888 -6.664 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.271 1.852 -7.081 1.00 0.00 C ATOM 1032 C ALA A 70 -8.654 2.996 -7.890 1.00 0.00 C ATOM 1033 O ALA A 70 -9.312 3.629 -8.691 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.865 2.378 -5.774 1.00 0.00 C ATOM 0 H ALA A 70 -8.184 0.680 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.027 1.388 -7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.654 3.096 -5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.280 1.548 -5.203 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.085 2.866 -5.190 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.393 3.266 -7.685 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.733 4.367 -8.441 1.00 0.00 C ATOM 1042 C LEU A 71 -5.801 3.792 -9.509 1.00 0.00 C ATOM 1043 O LEU A 71 -5.650 4.346 -10.581 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.934 5.144 -7.394 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.847 6.159 -6.704 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.086 5.446 -6.160 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.091 6.820 -5.549 1.00 0.00 C ATOM 0 H LEU A 71 -6.792 2.771 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.453 5.002 -8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.514 4.458 -6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.096 5.656 -7.867 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.153 6.919 -7.422 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.736 6.170 -5.669 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.624 4.974 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.782 4.685 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.740 7.544 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.785 6.059 -4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.208 7.329 -5.936 1.00 0.00 H new ATOM 1059 N MET A 72 -5.174 2.682 -9.227 1.00 0.00 N ATOM 1060 CA MET A 72 -4.252 2.071 -10.228 1.00 0.00 C ATOM 1061 C MET A 72 -4.981 1.855 -11.556 1.00 0.00 C ATOM 1062 O MET A 72 -4.380 1.852 -12.612 1.00 0.00 O ATOM 1063 CB MET A 72 -3.839 0.731 -9.619 1.00 0.00 C ATOM 1064 CG MET A 72 -2.391 0.816 -9.132 1.00 0.00 C ATOM 1065 SD MET A 72 -2.222 2.198 -7.976 1.00 0.00 S ATOM 1066 CE MET A 72 -0.442 2.447 -8.179 1.00 0.00 C ATOM 0 H MET A 72 -5.260 2.172 -8.348 1.00 0.00 H new ATOM 0 HA MET A 72 -3.391 2.706 -10.438 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.499 0.478 -8.789 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.939 -0.063 -10.359 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.105 -0.116 -8.645 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.719 0.953 -9.979 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.096 3.197 -7.467 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.080 1.507 -7.999 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.236 2.787 -9.194 1.00 0.00 H new ATOM 1076 N SER A 73 -6.272 1.675 -11.513 1.00 0.00 N ATOM 1077 CA SER A 73 -7.039 1.459 -12.774 1.00 0.00 C ATOM 1078 C SER A 73 -6.754 2.591 -13.766 1.00 0.00 C ATOM 1079 O SER A 73 -6.987 2.463 -14.951 1.00 0.00 O ATOM 1080 CB SER A 73 -8.507 1.472 -12.352 1.00 0.00 C ATOM 1081 OG SER A 73 -8.865 2.784 -11.937 1.00 0.00 O ATOM 0 H SER A 73 -6.830 1.668 -10.659 1.00 0.00 H new ATOM 0 HA SER A 73 -6.767 0.527 -13.269 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.139 1.156 -13.182 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.670 0.764 -11.539 1.00 0.00 H new ATOM 0 HG SER A 73 -9.807 2.796 -11.667 1.00 0.00 H new