USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 572 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 16 HIS : no HE2:sc= -1.32 X(o=-0.98,f=-0.63) USER MOD Set 1.2: A 27 TYR OH : rot 151:sc= 0.335 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.69 F(o=-3.8!,f=-2.7) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.000959) USER MOD Single : A 12 CYS SG : rot -120:sc= -0.0991 USER MOD Single : A 13 MET CE :methyl -167:sc= -0.546 (180deg=-0.763) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 141:sc= -5.25! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0255 X(o=-0.026,f=-0.12) USER MOD Single : A 43 TYR OH : rot 180:sc= -2.95! USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.19 F(o=-0.85,f=-0.19) USER MOD Single : A 52 SER OG : rot 74:sc= 0.902 USER MOD Single : A 53 GLN : amide:sc= -2.99! C(o=-3!,f=-3!) USER MOD Single : A 61 MET CE :methyl -176:sc= -10! (180deg=-10.4!) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.712 F(o=-2.3,f=-0.71) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.0084) USER MOD Single : A 73 THR OG1 : rot 100:sc= 1.08 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N PRO A 3 66.824 12.820 1.931 1.00 0.00 N ATOM 31 CA PRO A 3 66.878 11.438 1.400 1.00 0.00 C ATOM 32 C PRO A 3 65.712 11.186 0.444 1.00 0.00 C ATOM 33 O PRO A 3 65.772 10.317 -0.402 1.00 0.00 O ATOM 34 CB PRO A 3 66.759 10.585 2.666 1.00 0.00 C ATOM 35 CG PRO A 3 66.643 11.521 3.885 1.00 0.00 C ATOM 36 CD PRO A 3 66.660 12.975 3.395 1.00 0.00 C ATOM 0 HA PRO A 3 67.778 11.221 0.825 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.885 9.936 2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.630 9.938 2.768 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.722 11.317 4.431 1.00 0.00 H new ATOM 0 HG3 PRO A 3 67.468 11.346 4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.738 13.498 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 3 67.479 13.542 3.837 1.00 0.00 H new ATOM 44 N GLU A 4 64.657 11.944 0.558 1.00 0.00 N ATOM 45 CA GLU A 4 63.506 11.747 -0.365 1.00 0.00 C ATOM 46 C GLU A 4 63.897 12.239 -1.759 1.00 0.00 C ATOM 47 O GLU A 4 63.513 11.670 -2.764 1.00 0.00 O ATOM 48 CB GLU A 4 62.373 12.595 0.217 1.00 0.00 C ATOM 49 CG GLU A 4 62.054 12.109 1.635 1.00 0.00 C ATOM 50 CD GLU A 4 62.111 13.286 2.613 1.00 0.00 C ATOM 51 OE1 GLU A 4 62.524 14.356 2.202 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.740 13.093 3.759 1.00 0.00 O ATOM 0 H GLU A 4 64.543 12.688 1.247 1.00 0.00 H new ATOM 0 HA GLU A 4 63.207 10.703 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 4 62.663 13.646 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.487 12.521 -0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.064 11.653 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.767 11.341 1.935 1.00 0.00 H new ATOM 59 N VAL A 5 64.677 13.284 -1.825 1.00 0.00 N ATOM 60 CA VAL A 5 65.114 13.808 -3.149 1.00 0.00 C ATOM 61 C VAL A 5 65.993 12.770 -3.848 1.00 0.00 C ATOM 62 O VAL A 5 65.736 12.379 -4.969 1.00 0.00 O ATOM 63 CB VAL A 5 65.906 15.082 -2.830 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.867 15.402 -3.979 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.933 16.250 -2.648 1.00 0.00 C ATOM 0 H VAL A 5 65.030 13.797 -1.018 1.00 0.00 H new ATOM 0 HA VAL A 5 64.279 14.017 -3.818 1.00 0.00 H new ATOM 0 HB VAL A 5 66.478 14.928 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.426 16.308 -3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.561 14.573 -4.114 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.299 15.553 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.492 17.158 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.363 16.395 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.250 16.030 -1.828 1.00 0.00 H new ATOM 75 N LEU A 6 67.025 12.316 -3.192 1.00 0.00 N ATOM 76 CA LEU A 6 67.910 11.295 -3.825 1.00 0.00 C ATOM 77 C LEU A 6 67.152 9.974 -3.955 1.00 0.00 C ATOM 78 O LEU A 6 67.452 9.153 -4.800 1.00 0.00 O ATOM 79 CB LEU A 6 69.112 11.148 -2.887 1.00 0.00 C ATOM 80 CG LEU A 6 68.654 10.733 -1.489 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.592 9.205 -1.397 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.660 11.262 -0.465 1.00 0.00 C ATOM 0 H LEU A 6 67.294 12.605 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 6 68.230 11.585 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.802 10.405 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.656 12.091 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 6 67.664 11.143 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.265 8.914 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.886 8.824 -2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.580 8.788 -1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 6 69.345 10.973 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.644 10.842 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.708 12.349 -0.531 1.00 0.00 H new ATOM 94 N ALA A 7 66.159 9.773 -3.133 1.00 0.00 N ATOM 95 CA ALA A 7 65.370 8.515 -3.215 1.00 0.00 C ATOM 96 C ALA A 7 64.573 8.501 -4.518 1.00 0.00 C ATOM 97 O ALA A 7 64.291 7.460 -5.076 1.00 0.00 O ATOM 98 CB ALA A 7 64.437 8.551 -2.004 1.00 0.00 C ATOM 0 H ALA A 7 65.861 10.426 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 7 65.995 7.622 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.819 7.653 -1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 7 65.029 8.595 -1.090 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.797 9.431 -2.064 1.00 0.00 H new ATOM 104 N LYS A 8 64.215 9.655 -5.013 1.00 0.00 N ATOM 105 CA LYS A 8 63.447 9.710 -6.288 1.00 0.00 C ATOM 106 C LYS A 8 64.411 9.644 -7.477 1.00 0.00 C ATOM 107 O LYS A 8 64.142 9.004 -8.473 1.00 0.00 O ATOM 108 CB LYS A 8 62.723 11.058 -6.263 1.00 0.00 C ATOM 109 CG LYS A 8 61.311 10.891 -6.828 1.00 0.00 C ATOM 110 CD LYS A 8 60.717 12.268 -7.130 1.00 0.00 C ATOM 111 CE LYS A 8 60.152 12.282 -8.552 1.00 0.00 C ATOM 112 NZ LYS A 8 60.075 13.722 -8.930 1.00 0.00 N ATOM 0 H LYS A 8 64.421 10.560 -4.590 1.00 0.00 H new ATOM 0 HA LYS A 8 62.749 8.878 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.675 11.438 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.277 11.791 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.340 10.288 -7.736 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.682 10.360 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 8 59.930 12.501 -6.413 1.00 0.00 H new ATOM 0 HD3 LYS A 8 61.483 13.037 -7.024 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.796 11.729 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 8 59.169 11.812 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 59.696 13.808 -9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.450 14.222 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 61.026 14.142 -8.893 1.00 0.00 H new ATOM 126 N ASN A 9 65.533 10.306 -7.376 1.00 0.00 N ATOM 127 CA ASN A 9 66.519 10.290 -8.497 1.00 0.00 C ATOM 128 C ASN A 9 67.030 8.867 -8.748 1.00 0.00 C ATOM 129 O ASN A 9 67.409 8.523 -9.851 1.00 0.00 O ATOM 130 CB ASN A 9 67.663 11.196 -8.035 1.00 0.00 C ATOM 131 CG ASN A 9 67.089 12.476 -7.426 1.00 0.00 C ATOM 132 OD1 ASN A 9 65.870 12.836 -7.723 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 67.755 13.156 -6.670 1.00 0.00 N flip ATOM 0 H ASN A 9 65.810 10.858 -6.564 1.00 0.00 H new ATOM 0 HA ASN A 9 66.077 10.633 -9.432 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.278 10.676 -7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.310 11.440 -8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 9 68.708 12.876 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 9 67.361 14.007 -6.268 1.00 0.00 H new ATOM 140 N LYS A 10 67.042 8.032 -7.743 1.00 0.00 N ATOM 141 CA LYS A 10 67.531 6.638 -7.948 1.00 0.00 C ATOM 142 C LYS A 10 66.381 5.728 -8.389 1.00 0.00 C ATOM 143 O LYS A 10 66.596 4.654 -8.917 1.00 0.00 O ATOM 144 CB LYS A 10 68.076 6.198 -6.591 1.00 0.00 C ATOM 145 CG LYS A 10 69.567 6.530 -6.513 1.00 0.00 C ATOM 146 CD LYS A 10 69.816 7.500 -5.360 1.00 0.00 C ATOM 147 CE LYS A 10 71.307 7.508 -5.014 1.00 0.00 C ATOM 148 NZ LYS A 10 71.754 8.903 -5.278 1.00 0.00 N ATOM 0 H LYS A 10 66.736 8.253 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 10 68.292 6.583 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.537 6.702 -5.789 1.00 0.00 H new ATOM 0 HB3 LYS A 10 67.922 5.128 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 10 70.146 5.618 -6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.901 6.972 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 10 69.491 8.503 -5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 10 69.231 7.204 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.472 7.230 -3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 71.858 6.794 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 72.775 8.981 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 71.559 9.148 -6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 71.241 9.556 -4.653 1.00 0.00 H new ATOM 162 N GLY A 11 65.164 6.147 -8.181 1.00 0.00 N ATOM 163 CA GLY A 11 64.006 5.305 -8.593 1.00 0.00 C ATOM 164 C GLY A 11 63.462 4.547 -7.380 1.00 0.00 C ATOM 165 O GLY A 11 62.680 3.627 -7.514 1.00 0.00 O ATOM 0 H GLY A 11 64.921 7.036 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.224 5.931 -9.024 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.313 4.601 -9.366 1.00 0.00 H new ATOM 169 N CYS A 12 63.866 4.923 -6.197 1.00 0.00 N ATOM 170 CA CYS A 12 63.362 4.214 -4.985 1.00 0.00 C ATOM 171 C CYS A 12 61.858 4.457 -4.813 1.00 0.00 C ATOM 172 O CYS A 12 61.111 3.564 -4.465 1.00 0.00 O ATOM 173 CB CYS A 12 64.126 4.818 -3.802 1.00 0.00 C ATOM 174 SG CYS A 12 65.896 4.929 -4.173 1.00 0.00 S ATOM 0 H CYS A 12 64.519 5.686 -6.017 1.00 0.00 H new ATOM 0 HA CYS A 12 63.513 3.137 -5.060 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.733 5.810 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.973 4.206 -2.913 1.00 0.00 H new ATOM 0 HG CYS A 12 66.566 4.230 -3.305 1.00 0.00 H new ATOM 179 N MET A 13 61.413 5.661 -5.044 1.00 0.00 N ATOM 180 CA MET A 13 59.962 5.969 -4.885 1.00 0.00 C ATOM 181 C MET A 13 59.180 5.537 -6.129 1.00 0.00 C ATOM 182 O MET A 13 58.001 5.797 -6.253 1.00 0.00 O ATOM 183 CB MET A 13 59.898 7.488 -4.715 1.00 0.00 C ATOM 184 CG MET A 13 60.041 7.842 -3.233 1.00 0.00 C ATOM 185 SD MET A 13 58.642 8.871 -2.721 1.00 0.00 S ATOM 186 CE MET A 13 58.073 7.820 -1.363 1.00 0.00 C ATOM 0 H MET A 13 61.992 6.448 -5.337 1.00 0.00 H new ATOM 0 HA MET A 13 59.522 5.441 -4.039 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.692 7.963 -5.292 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.952 7.868 -5.101 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.077 6.933 -2.633 1.00 0.00 H new ATOM 0 HG3 MET A 13 60.978 8.373 -3.064 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.081 8.141 -1.046 1.00 0.00 H new ATOM 0 HE2 MET A 13 58.029 6.784 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.766 7.901 -0.525 1.00 0.00 H new ATOM 196 N ALA A 14 59.828 4.883 -7.054 1.00 0.00 N ATOM 197 CA ALA A 14 59.119 4.440 -8.287 1.00 0.00 C ATOM 198 C ALA A 14 58.611 3.004 -8.129 1.00 0.00 C ATOM 199 O ALA A 14 57.649 2.603 -8.753 1.00 0.00 O ATOM 200 CB ALA A 14 60.169 4.516 -9.395 1.00 0.00 C ATOM 0 H ALA A 14 60.817 4.637 -7.009 1.00 0.00 H new ATOM 0 HA ALA A 14 58.248 5.059 -8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.724 4.204 -10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.530 5.541 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.003 3.858 -9.152 1.00 0.00 H new ATOM 206 N CYS A 15 59.254 2.225 -7.303 1.00 0.00 N ATOM 207 CA CYS A 15 58.811 0.813 -7.111 1.00 0.00 C ATOM 208 C CYS A 15 58.259 0.612 -5.700 1.00 0.00 C ATOM 209 O CYS A 15 57.637 -0.388 -5.408 1.00 0.00 O ATOM 210 CB CYS A 15 60.077 -0.023 -7.275 1.00 0.00 C ATOM 211 SG CYS A 15 60.355 -0.415 -9.023 1.00 0.00 S ATOM 0 H CYS A 15 60.066 2.504 -6.753 1.00 0.00 H new ATOM 0 HA CYS A 15 58.026 0.539 -7.816 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.934 0.521 -6.877 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.989 -0.944 -6.699 1.00 0.00 H new ATOM 0 HG CYS A 15 61.438 -1.125 -9.142 1.00 0.00 H new ATOM 216 N HIS A 16 58.509 1.533 -4.813 1.00 0.00 N ATOM 217 CA HIS A 16 58.020 1.356 -3.417 1.00 0.00 C ATOM 218 C HIS A 16 56.925 2.362 -3.067 1.00 0.00 C ATOM 219 O HIS A 16 56.806 3.414 -3.664 1.00 0.00 O ATOM 220 CB HIS A 16 59.250 1.596 -2.545 1.00 0.00 C ATOM 221 CG HIS A 16 60.019 0.313 -2.403 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.468 -0.814 -1.813 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.296 -0.037 -2.763 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.402 -1.780 -1.834 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.534 -1.360 -2.402 1.00 0.00 N ATOM 0 H HIS A 16 59.026 2.394 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 16 57.580 0.369 -3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 16 59.882 2.364 -2.991 1.00 0.00 H new ATOM 0 HB3 HIS A 16 58.948 1.962 -1.564 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.525 -0.895 -1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.007 0.614 -3.251 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.254 -2.774 -1.439 1.00 0.00 H new ATOM 233 N ALA A 17 56.139 2.040 -2.078 1.00 0.00 N ATOM 234 CA ALA A 17 55.053 2.956 -1.637 1.00 0.00 C ATOM 235 C ALA A 17 55.151 3.142 -0.120 1.00 0.00 C ATOM 236 O ALA A 17 55.094 2.189 0.631 1.00 0.00 O ATOM 237 CB ALA A 17 53.752 2.250 -2.017 1.00 0.00 C ATOM 0 H ALA A 17 56.205 1.170 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 17 55.112 3.943 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 17 52.903 2.867 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 17 53.727 2.089 -3.095 1.00 0.00 H new ATOM 0 HB3 ALA A 17 53.697 1.289 -1.506 1.00 0.00 H new ATOM 243 N ILE A 18 55.311 4.354 0.331 1.00 0.00 N ATOM 244 CA ILE A 18 55.432 4.603 1.799 1.00 0.00 C ATOM 245 C ILE A 18 54.463 3.712 2.583 1.00 0.00 C ATOM 246 O ILE A 18 54.697 3.393 3.730 1.00 0.00 O ATOM 247 CB ILE A 18 55.073 6.079 1.980 1.00 0.00 C ATOM 248 CG1 ILE A 18 56.072 6.947 1.209 1.00 0.00 C ATOM 249 CG2 ILE A 18 55.132 6.442 3.464 1.00 0.00 C ATOM 250 CD1 ILE A 18 55.879 8.414 1.600 1.00 0.00 C ATOM 0 H ILE A 18 55.364 5.188 -0.254 1.00 0.00 H new ATOM 0 HA ILE A 18 56.431 4.375 2.171 1.00 0.00 H new ATOM 0 HB ILE A 18 54.066 6.254 1.600 1.00 0.00 H new ATOM 0 HG12 ILE A 18 57.092 6.631 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 18 55.926 6.823 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.876 7.494 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.423 5.826 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 18 56.139 6.265 3.842 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.589 9.033 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 18 54.863 8.725 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 18 56.047 8.530 2.671 1.00 0.00 H new ATOM 262 N ASP A 19 53.379 3.307 1.982 1.00 0.00 N ATOM 263 CA ASP A 19 52.412 2.435 2.719 1.00 0.00 C ATOM 264 C ASP A 19 51.662 1.511 1.756 1.00 0.00 C ATOM 265 O ASP A 19 51.352 0.384 2.083 1.00 0.00 O ATOM 266 CB ASP A 19 51.443 3.403 3.395 1.00 0.00 C ATOM 267 CG ASP A 19 51.784 3.509 4.882 1.00 0.00 C ATOM 268 OD1 ASP A 19 52.905 3.883 5.188 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.920 3.215 5.692 1.00 0.00 O ATOM 0 H ASP A 19 53.119 3.537 1.023 1.00 0.00 H new ATOM 0 HA ASP A 19 52.917 1.788 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.506 4.385 2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.418 3.055 3.270 1.00 0.00 H new ATOM 274 N THR A 20 51.365 1.977 0.577 1.00 0.00 N ATOM 275 CA THR A 20 50.629 1.112 -0.393 1.00 0.00 C ATOM 276 C THR A 20 51.531 -0.031 -0.863 1.00 0.00 C ATOM 277 O THR A 20 52.551 -0.312 -0.266 1.00 0.00 O ATOM 278 CB THR A 20 50.258 2.025 -1.565 1.00 0.00 C ATOM 279 OG1 THR A 20 51.213 3.071 -1.681 1.00 0.00 O ATOM 280 CG2 THR A 20 48.870 2.620 -1.329 1.00 0.00 C ATOM 0 H THR A 20 51.597 2.912 0.242 1.00 0.00 H new ATOM 0 HA THR A 20 49.743 0.660 0.053 1.00 0.00 H new ATOM 0 HB THR A 20 50.251 1.443 -2.487 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.394 3.245 -2.628 1.00 0.00 H new ATOM 0 HG21 THR A 20 48.606 3.270 -2.163 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.138 1.816 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 20 48.875 3.199 -0.405 1.00 0.00 H new ATOM 288 N LYS A 21 51.165 -0.696 -1.924 1.00 0.00 N ATOM 289 CA LYS A 21 52.004 -1.820 -2.419 1.00 0.00 C ATOM 290 C LYS A 21 52.160 -1.748 -3.940 1.00 0.00 C ATOM 291 O LYS A 21 51.352 -2.268 -4.682 1.00 0.00 O ATOM 292 CB LYS A 21 51.245 -3.085 -2.019 1.00 0.00 C ATOM 293 CG LYS A 21 52.191 -4.286 -2.073 1.00 0.00 C ATOM 294 CD LYS A 21 51.462 -5.532 -1.566 1.00 0.00 C ATOM 295 CE LYS A 21 51.619 -6.666 -2.582 1.00 0.00 C ATOM 296 NZ LYS A 21 50.276 -7.304 -2.660 1.00 0.00 N ATOM 0 H LYS A 21 50.323 -0.509 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 21 53.010 -1.794 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.837 -2.975 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.401 -3.243 -2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.537 -4.444 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 21 53.074 -4.095 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 21 51.867 -5.836 -0.601 1.00 0.00 H new ATOM 0 HD3 LYS A 21 50.406 -5.311 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 21 51.931 -6.284 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 21 52.377 -7.381 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 50.305 -8.092 -3.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 50.008 -7.664 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 49.576 -6.602 -2.974 1.00 0.00 H new ATOM 310 N MET A 22 53.202 -1.116 -4.407 1.00 0.00 N ATOM 311 CA MET A 22 53.418 -1.020 -5.879 1.00 0.00 C ATOM 312 C MET A 22 54.177 -2.257 -6.371 1.00 0.00 C ATOM 313 O MET A 22 53.588 -3.266 -6.700 1.00 0.00 O ATOM 314 CB MET A 22 54.259 0.243 -6.075 1.00 0.00 C ATOM 315 CG MET A 22 53.336 1.452 -6.241 1.00 0.00 C ATOM 316 SD MET A 22 53.929 2.481 -7.607 1.00 0.00 S ATOM 317 CE MET A 22 54.923 3.626 -6.616 1.00 0.00 C ATOM 0 H MET A 22 53.913 -0.662 -3.833 1.00 0.00 H new ATOM 0 HA MET A 22 52.483 -0.972 -6.438 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.918 0.390 -5.219 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.896 0.136 -6.953 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.316 1.120 -6.438 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.310 2.033 -5.319 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.390 4.362 -7.270 1.00 0.00 H new ATOM 0 HE2 MET A 22 54.282 4.135 -5.896 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.696 3.071 -6.084 1.00 0.00 H new ATOM 327 N VAL A 23 55.479 -2.190 -6.413 1.00 0.00 N ATOM 328 CA VAL A 23 56.271 -3.364 -6.870 1.00 0.00 C ATOM 329 C VAL A 23 56.837 -4.106 -5.659 1.00 0.00 C ATOM 330 O VAL A 23 56.766 -5.316 -5.567 1.00 0.00 O ATOM 331 CB VAL A 23 57.396 -2.783 -7.725 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.353 -3.903 -8.139 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.800 -2.136 -8.977 1.00 0.00 C ATOM 0 H VAL A 23 56.028 -1.372 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 23 55.671 -4.078 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 23 57.940 -2.034 -7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.156 -3.489 -8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.777 -4.367 -7.248 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.809 -4.652 -8.715 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.601 -1.721 -9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.257 -2.887 -9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 23 56.117 -1.339 -8.684 1.00 0.00 H new ATOM 343 N GLY A 24 57.392 -3.385 -4.727 1.00 0.00 N ATOM 344 CA GLY A 24 57.958 -4.036 -3.512 1.00 0.00 C ATOM 345 C GLY A 24 57.052 -3.739 -2.312 1.00 0.00 C ATOM 346 O GLY A 24 56.064 -3.044 -2.445 1.00 0.00 O ATOM 0 H GLY A 24 57.479 -2.369 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.037 -5.112 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.966 -3.666 -3.323 1.00 0.00 H new ATOM 350 N PRO A 25 57.414 -4.277 -1.174 1.00 0.00 N ATOM 351 CA PRO A 25 56.618 -4.065 0.058 1.00 0.00 C ATOM 352 C PRO A 25 56.664 -2.594 0.477 1.00 0.00 C ATOM 353 O PRO A 25 57.702 -1.963 0.439 1.00 0.00 O ATOM 354 CB PRO A 25 57.343 -4.947 1.080 1.00 0.00 C ATOM 355 CG PRO A 25 58.538 -5.629 0.387 1.00 0.00 C ATOM 356 CD PRO A 25 58.626 -5.120 -1.057 1.00 0.00 C ATOM 0 HA PRO A 25 55.562 -4.311 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.687 -4.345 1.921 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.662 -5.697 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.461 -5.408 0.922 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.414 -6.712 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.537 -4.547 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.622 -5.939 -1.777 1.00 0.00 H new ATOM 364 N ALA A 26 55.551 -2.043 0.882 1.00 0.00 N ATOM 365 CA ALA A 26 55.542 -0.615 1.308 1.00 0.00 C ATOM 366 C ALA A 26 56.770 -0.326 2.176 1.00 0.00 C ATOM 367 O ALA A 26 57.289 -1.200 2.837 1.00 0.00 O ATOM 368 CB ALA A 26 54.257 -0.455 2.120 1.00 0.00 C ATOM 0 H ALA A 26 54.651 -2.519 0.936 1.00 0.00 H new ATOM 0 HA ALA A 26 55.576 0.075 0.465 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.175 0.573 2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.398 -0.694 1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.281 -1.130 2.975 1.00 0.00 H new ATOM 374 N TYR A 27 57.242 0.890 2.173 1.00 0.00 N ATOM 375 CA TYR A 27 58.440 1.224 2.991 1.00 0.00 C ATOM 376 C TYR A 27 58.124 1.078 4.485 1.00 0.00 C ATOM 377 O TYR A 27 58.746 0.303 5.186 1.00 0.00 O ATOM 378 CB TYR A 27 58.763 2.678 2.635 1.00 0.00 C ATOM 379 CG TYR A 27 59.635 2.715 1.400 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.687 1.802 1.249 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.394 3.671 0.406 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.492 1.843 0.105 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.200 3.713 -0.738 1.00 0.00 C ATOM 384 CZ TYR A 27 61.250 2.799 -0.888 1.00 0.00 C ATOM 385 OH TYR A 27 62.047 2.840 -2.013 1.00 0.00 O ATOM 0 H TYR A 27 56.850 1.666 1.640 1.00 0.00 H new ATOM 0 HA TYR A 27 59.282 0.561 2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.842 3.233 2.459 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.273 3.162 3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.877 1.066 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.585 4.377 0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.300 1.136 -0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.012 4.450 -1.505 1.00 0.00 H new ATOM 0 HH TYR A 27 61.529 3.188 -2.769 1.00 0.00 H new ATOM 395 N LYS A 28 57.162 1.809 4.980 1.00 0.00 N ATOM 396 CA LYS A 28 56.821 1.692 6.427 1.00 0.00 C ATOM 397 C LYS A 28 56.555 0.230 6.778 1.00 0.00 C ATOM 398 O LYS A 28 57.031 -0.279 7.773 1.00 0.00 O ATOM 399 CB LYS A 28 55.558 2.530 6.614 1.00 0.00 C ATOM 400 CG LYS A 28 55.809 3.594 7.684 1.00 0.00 C ATOM 401 CD LYS A 28 54.705 3.527 8.739 1.00 0.00 C ATOM 402 CE LYS A 28 55.316 3.702 10.131 1.00 0.00 C ATOM 403 NZ LYS A 28 54.605 2.713 10.987 1.00 0.00 N ATOM 0 H LYS A 28 56.602 2.477 4.450 1.00 0.00 H new ATOM 0 HA LYS A 28 57.628 2.037 7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.280 3.004 5.673 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.725 1.892 6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.782 3.434 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 28 55.832 4.584 7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.964 4.305 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.185 2.571 8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 28 56.390 3.514 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 28 55.175 4.718 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 54.968 2.771 11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 53.586 2.921 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 54.763 1.755 10.615 1.00 0.00 H new ATOM 417 N ASP A 29 55.804 -0.452 5.961 1.00 0.00 N ATOM 418 CA ASP A 29 55.511 -1.887 6.240 1.00 0.00 C ATOM 419 C ASP A 29 56.817 -2.678 6.343 1.00 0.00 C ATOM 420 O ASP A 29 56.961 -3.558 7.172 1.00 0.00 O ATOM 421 CB ASP A 29 54.694 -2.365 5.039 1.00 0.00 C ATOM 422 CG ASP A 29 53.235 -1.944 5.216 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.932 -0.797 4.933 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.445 -2.775 5.633 1.00 0.00 O ATOM 0 H ASP A 29 55.380 -0.079 5.112 1.00 0.00 H new ATOM 0 HA ASP A 29 54.976 -2.025 7.179 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.097 -1.941 4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.762 -3.449 4.947 1.00 0.00 H new ATOM 429 N VAL A 30 57.770 -2.374 5.503 1.00 0.00 N ATOM 430 CA VAL A 30 59.065 -3.110 5.548 1.00 0.00 C ATOM 431 C VAL A 30 59.698 -2.975 6.931 1.00 0.00 C ATOM 432 O VAL A 30 60.253 -3.913 7.470 1.00 0.00 O ATOM 433 CB VAL A 30 59.943 -2.442 4.490 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.357 -3.024 4.559 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.356 -2.701 3.101 1.00 0.00 C ATOM 0 H VAL A 30 57.707 -1.649 4.789 1.00 0.00 H new ATOM 0 HA VAL A 30 58.940 -4.176 5.356 1.00 0.00 H new ATOM 0 HB VAL A 30 59.980 -1.369 4.676 1.00 0.00 H new ATOM 0 HG11 VAL A 30 61.984 -2.548 3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.778 -2.842 5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.318 -4.097 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 30 59.982 -2.225 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.319 -3.775 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.348 -2.289 3.049 1.00 0.00 H new ATOM 445 N ALA A 31 59.622 -1.811 7.509 1.00 0.00 N ATOM 446 CA ALA A 31 60.223 -1.607 8.858 1.00 0.00 C ATOM 447 C ALA A 31 59.394 -2.319 9.927 1.00 0.00 C ATOM 448 O ALA A 31 59.911 -2.772 10.930 1.00 0.00 O ATOM 449 CB ALA A 31 60.191 -0.094 9.080 1.00 0.00 C ATOM 0 H ALA A 31 59.170 -0.990 7.107 1.00 0.00 H new ATOM 0 HA ALA A 31 61.233 -2.011 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.618 0.140 10.055 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.772 0.400 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.160 0.258 9.041 1.00 0.00 H new ATOM 455 N ALA A 32 58.110 -2.422 9.726 1.00 0.00 N ATOM 456 CA ALA A 32 57.252 -3.104 10.737 1.00 0.00 C ATOM 457 C ALA A 32 57.585 -4.596 10.791 1.00 0.00 C ATOM 458 O ALA A 32 57.442 -5.238 11.812 1.00 0.00 O ATOM 459 CB ALA A 32 55.817 -2.890 10.255 1.00 0.00 C ATOM 0 H ALA A 32 57.618 -2.065 8.907 1.00 0.00 H new ATOM 0 HA ALA A 32 57.404 -2.708 11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.125 -3.365 10.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.605 -1.822 10.205 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.696 -3.330 9.265 1.00 0.00 H new ATOM 465 N LYS A 33 58.028 -5.154 9.698 1.00 0.00 N ATOM 466 CA LYS A 33 58.367 -6.604 9.688 1.00 0.00 C ATOM 467 C LYS A 33 59.810 -6.815 10.154 1.00 0.00 C ATOM 468 O LYS A 33 60.082 -7.640 11.003 1.00 0.00 O ATOM 469 CB LYS A 33 58.209 -7.042 8.232 1.00 0.00 C ATOM 470 CG LYS A 33 57.786 -8.511 8.183 1.00 0.00 C ATOM 471 CD LYS A 33 58.393 -9.176 6.944 1.00 0.00 C ATOM 472 CE LYS A 33 59.227 -10.386 7.368 1.00 0.00 C ATOM 473 NZ LYS A 33 59.620 -11.047 6.092 1.00 0.00 N ATOM 0 H LYS A 33 58.170 -4.668 8.812 1.00 0.00 H new ATOM 0 HA LYS A 33 57.728 -7.178 10.359 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.464 -6.422 7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.148 -6.905 7.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 58.117 -9.026 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 33 56.699 -8.587 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.602 -9.488 6.262 1.00 0.00 H new ATOM 0 HD3 LYS A 33 59.016 -8.463 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 33 60.103 -10.081 7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.651 -11.061 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 60.196 -11.888 6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 58.766 -11.332 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 60.173 -10.383 5.513 1.00 0.00 H new ATOM 487 N TYR A 34 60.736 -6.076 9.605 1.00 0.00 N ATOM 488 CA TYR A 34 62.158 -6.241 10.019 1.00 0.00 C ATOM 489 C TYR A 34 62.375 -5.645 11.413 1.00 0.00 C ATOM 490 O TYR A 34 63.439 -5.759 11.988 1.00 0.00 O ATOM 491 CB TYR A 34 62.968 -5.474 8.974 1.00 0.00 C ATOM 492 CG TYR A 34 63.255 -6.380 7.799 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.197 -6.900 7.043 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.576 -6.702 7.469 1.00 0.00 C ATOM 495 CE1 TYR A 34 62.462 -7.740 5.955 1.00 0.00 C ATOM 496 CE2 TYR A 34 64.840 -7.543 6.380 1.00 0.00 C ATOM 497 CZ TYR A 34 63.782 -8.063 5.624 1.00 0.00 C ATOM 498 OH TYR A 34 64.042 -8.891 4.552 1.00 0.00 O ATOM 0 H TYR A 34 60.570 -5.368 8.890 1.00 0.00 H new ATOM 0 HA TYR A 34 62.454 -7.289 10.073 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.416 -4.595 8.643 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.902 -5.119 9.410 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.177 -6.653 7.299 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.392 -6.303 8.053 1.00 0.00 H new ATOM 0 HE1 TYR A 34 61.646 -8.139 5.370 1.00 0.00 H new ATOM 0 HE2 TYR A 34 65.860 -7.790 6.124 1.00 0.00 H new ATOM 0 HH TYR A 34 65.010 -9.012 4.460 1.00 0.00 H new ATOM 508 N ALA A 35 61.373 -5.013 11.960 1.00 0.00 N ATOM 509 CA ALA A 35 61.524 -4.412 13.318 1.00 0.00 C ATOM 510 C ALA A 35 61.925 -5.487 14.331 1.00 0.00 C ATOM 511 O ALA A 35 61.144 -6.351 14.678 1.00 0.00 O ATOM 512 CB ALA A 35 60.145 -3.844 13.656 1.00 0.00 C ATOM 0 H ALA A 35 60.458 -4.886 11.528 1.00 0.00 H new ATOM 0 HA ALA A 35 62.298 -3.645 13.346 1.00 0.00 H new ATOM 0 HB1 ALA A 35 60.173 -3.383 14.643 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.868 -3.095 12.914 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.409 -4.648 13.652 1.00 0.00 H new ATOM 518 N GLY A 36 63.138 -5.439 14.811 1.00 0.00 N ATOM 519 CA GLY A 36 63.592 -6.456 15.803 1.00 0.00 C ATOM 520 C GLY A 36 65.051 -6.823 15.528 1.00 0.00 C ATOM 521 O GLY A 36 65.781 -7.214 16.417 1.00 0.00 O ATOM 0 H GLY A 36 63.835 -4.739 14.559 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.489 -6.063 16.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.965 -7.345 15.741 1.00 0.00 H new ATOM 525 N GLN A 37 65.482 -6.700 14.301 1.00 0.00 N ATOM 526 CA GLN A 37 66.896 -7.040 13.966 1.00 0.00 C ATOM 527 C GLN A 37 67.850 -6.040 14.625 1.00 0.00 C ATOM 528 O GLN A 37 67.519 -4.887 14.818 1.00 0.00 O ATOM 529 CB GLN A 37 66.978 -6.936 12.442 1.00 0.00 C ATOM 530 CG GLN A 37 66.526 -8.256 11.814 1.00 0.00 C ATOM 531 CD GLN A 37 67.617 -8.776 10.877 1.00 0.00 C ATOM 532 OE1 GLN A 37 68.124 -8.044 10.051 1.00 0.00 O ATOM 533 NE2 GLN A 37 68.004 -10.019 10.972 1.00 0.00 N ATOM 0 H GLN A 37 64.916 -6.379 13.516 1.00 0.00 H new ATOM 0 HA GLN A 37 67.179 -8.031 14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 37 66.349 -6.119 12.089 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.999 -6.707 12.137 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.321 -8.990 12.593 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.598 -8.109 11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 37 67.578 -10.634 11.666 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.732 -10.375 10.353 1.00 0.00 H new ATOM 542 N ALA A 38 69.031 -6.472 14.972 1.00 0.00 N ATOM 543 CA ALA A 38 70.001 -5.547 15.619 1.00 0.00 C ATOM 544 C ALA A 38 70.813 -4.802 14.557 1.00 0.00 C ATOM 545 O ALA A 38 72.028 -4.790 14.588 1.00 0.00 O ATOM 546 CB ALA A 38 70.910 -6.448 16.453 1.00 0.00 C ATOM 0 H ALA A 38 69.365 -7.426 14.835 1.00 0.00 H new ATOM 0 HA ALA A 38 69.506 -4.790 16.228 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.656 -5.839 16.964 1.00 0.00 H new ATOM 0 HB2 ALA A 38 70.313 -6.985 17.190 1.00 0.00 H new ATOM 0 HB3 ALA A 38 71.410 -7.164 15.801 1.00 0.00 H new ATOM 552 N GLY A 39 70.155 -4.178 13.620 1.00 0.00 N ATOM 553 CA GLY A 39 70.896 -3.435 12.562 1.00 0.00 C ATOM 554 C GLY A 39 70.365 -3.834 11.186 1.00 0.00 C ATOM 555 O GLY A 39 71.118 -4.169 10.294 1.00 0.00 O ATOM 0 H GLY A 39 69.138 -4.150 13.541 1.00 0.00 H new ATOM 0 HA2 GLY A 39 70.781 -2.361 12.710 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.962 -3.654 12.629 1.00 0.00 H new ATOM 559 N ALA A 40 69.074 -3.798 11.003 1.00 0.00 N ATOM 560 CA ALA A 40 68.501 -4.173 9.680 1.00 0.00 C ATOM 561 C ALA A 40 68.822 -3.094 8.645 1.00 0.00 C ATOM 562 O ALA A 40 68.882 -3.355 7.461 1.00 0.00 O ATOM 563 CB ALA A 40 66.993 -4.269 9.910 1.00 0.00 C ATOM 0 H ALA A 40 68.392 -3.526 11.711 1.00 0.00 H new ATOM 0 HA ALA A 40 68.911 -5.109 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.499 -4.542 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.788 -5.028 10.665 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.615 -3.305 10.252 1.00 0.00 H new ATOM 569 N GLU A 41 69.034 -1.883 9.082 1.00 0.00 N ATOM 570 CA GLU A 41 69.358 -0.794 8.118 1.00 0.00 C ATOM 571 C GLU A 41 70.726 -1.056 7.487 1.00 0.00 C ATOM 572 O GLU A 41 70.936 -0.818 6.314 1.00 0.00 O ATOM 573 CB GLU A 41 69.388 0.484 8.957 1.00 0.00 C ATOM 574 CG GLU A 41 70.021 1.615 8.143 1.00 0.00 C ATOM 575 CD GLU A 41 71.238 2.162 8.891 1.00 0.00 C ATOM 576 OE1 GLU A 41 71.075 2.566 10.031 1.00 0.00 O ATOM 577 OE2 GLU A 41 72.311 2.167 8.312 1.00 0.00 O ATOM 0 H GLU A 41 68.997 -1.601 10.062 1.00 0.00 H new ATOM 0 HA GLU A 41 68.635 -0.725 7.305 1.00 0.00 H new ATOM 0 HB2 GLU A 41 68.377 0.759 9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 41 69.957 0.318 9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.319 1.248 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 41 69.294 2.410 7.979 1.00 0.00 H new ATOM 584 N ALA A 42 71.657 -1.555 8.255 1.00 0.00 N ATOM 585 CA ALA A 42 73.007 -1.840 7.695 1.00 0.00 C ATOM 586 C ALA A 42 72.897 -2.892 6.591 1.00 0.00 C ATOM 587 O ALA A 42 73.346 -2.689 5.480 1.00 0.00 O ATOM 588 CB ALA A 42 73.822 -2.379 8.871 1.00 0.00 C ATOM 0 H ALA A 42 71.540 -1.777 9.244 1.00 0.00 H new ATOM 0 HA ALA A 42 73.470 -0.957 7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.833 -2.613 8.536 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.865 -1.627 9.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.350 -3.282 9.257 1.00 0.00 H new ATOM 594 N TYR A 43 72.289 -4.012 6.879 1.00 0.00 N ATOM 595 CA TYR A 43 72.145 -5.058 5.831 1.00 0.00 C ATOM 596 C TYR A 43 71.226 -4.539 4.732 1.00 0.00 C ATOM 597 O TYR A 43 71.303 -4.957 3.594 1.00 0.00 O ATOM 598 CB TYR A 43 71.533 -6.265 6.542 1.00 0.00 C ATOM 599 CG TYR A 43 71.341 -7.392 5.555 1.00 0.00 C ATOM 600 CD1 TYR A 43 72.221 -7.539 4.476 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.282 -8.293 5.721 1.00 0.00 C ATOM 602 CE1 TYR A 43 72.040 -8.584 3.561 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.100 -9.337 4.807 1.00 0.00 C ATOM 604 CZ TYR A 43 70.980 -9.483 3.728 1.00 0.00 C ATOM 605 OH TYR A 43 70.799 -10.514 2.826 1.00 0.00 O ATOM 0 H TYR A 43 71.889 -4.245 7.788 1.00 0.00 H new ATOM 0 HA TYR A 43 73.093 -5.324 5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.182 -6.588 7.356 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.576 -5.991 6.987 1.00 0.00 H new ATOM 0 HD1 TYR A 43 73.040 -6.846 4.349 1.00 0.00 H new ATOM 0 HD2 TYR A 43 69.605 -8.182 6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 43 72.718 -8.696 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 43 69.281 -10.030 4.934 1.00 0.00 H new ATOM 0 HH TYR A 43 70.019 -11.045 3.089 1.00 0.00 H new ATOM 615 N LEU A 44 70.378 -3.602 5.054 1.00 0.00 N ATOM 616 CA LEU A 44 69.486 -3.029 4.014 1.00 0.00 C ATOM 617 C LEU A 44 70.349 -2.214 3.056 1.00 0.00 C ATOM 618 O LEU A 44 70.071 -2.107 1.881 1.00 0.00 O ATOM 619 CB LEU A 44 68.506 -2.130 4.769 1.00 0.00 C ATOM 620 CG LEU A 44 67.305 -2.959 5.229 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.447 -2.128 6.183 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.466 -3.365 4.015 1.00 0.00 C ATOM 0 H LEU A 44 70.266 -3.211 5.989 1.00 0.00 H new ATOM 0 HA LEU A 44 68.949 -3.781 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.000 -1.677 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.174 -1.315 4.126 1.00 0.00 H new ATOM 0 HG LEU A 44 67.659 -3.854 5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.591 -2.718 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.042 -1.839 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.095 -1.233 5.670 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.611 -3.955 4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 44 66.113 -2.471 3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.076 -3.958 3.333 1.00 0.00 H new ATOM 634 N ALA A 45 71.417 -1.659 3.562 1.00 0.00 N ATOM 635 CA ALA A 45 72.331 -0.868 2.697 1.00 0.00 C ATOM 636 C ALA A 45 73.112 -1.816 1.790 1.00 0.00 C ATOM 637 O ALA A 45 73.399 -1.505 0.650 1.00 0.00 O ATOM 638 CB ALA A 45 73.269 -0.147 3.666 1.00 0.00 C ATOM 0 H ALA A 45 71.695 -1.721 4.542 1.00 0.00 H new ATOM 0 HA ALA A 45 71.804 -0.163 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.977 0.461 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.686 0.494 4.327 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.813 -0.881 4.260 1.00 0.00 H new ATOM 644 N GLN A 46 73.451 -2.979 2.282 1.00 0.00 N ATOM 645 CA GLN A 46 74.203 -3.943 1.432 1.00 0.00 C ATOM 646 C GLN A 46 73.251 -4.610 0.442 1.00 0.00 C ATOM 647 O GLN A 46 73.644 -5.029 -0.628 1.00 0.00 O ATOM 648 CB GLN A 46 74.781 -4.976 2.401 1.00 0.00 C ATOM 649 CG GLN A 46 76.054 -4.423 3.040 1.00 0.00 C ATOM 650 CD GLN A 46 77.042 -5.567 3.273 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.881 -5.840 2.438 1.00 0.00 O ATOM 652 NE2 GLN A 46 76.976 -6.253 4.381 1.00 0.00 N ATOM 0 H GLN A 46 73.241 -3.299 3.227 1.00 0.00 H new ATOM 0 HA GLN A 46 74.987 -3.457 0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.049 -5.215 3.172 1.00 0.00 H new ATOM 0 HB3 GLN A 46 75.001 -5.903 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.501 -3.668 2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 46 75.817 -3.934 3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 46 76.271 -6.023 5.082 1.00 0.00 H new ATOM 0 HE22 GLN A 46 77.629 -7.019 4.546 1.00 0.00 H new ATOM 661 N ARG A 47 71.997 -4.697 0.785 1.00 0.00 N ATOM 662 CA ARG A 47 71.015 -5.322 -0.143 1.00 0.00 C ATOM 663 C ARG A 47 70.435 -4.249 -1.058 1.00 0.00 C ATOM 664 O ARG A 47 69.858 -4.540 -2.083 1.00 0.00 O ATOM 665 CB ARG A 47 69.930 -5.913 0.758 1.00 0.00 C ATOM 666 CG ARG A 47 70.436 -7.215 1.383 1.00 0.00 C ATOM 667 CD ARG A 47 69.875 -8.407 0.603 1.00 0.00 C ATOM 668 NE ARG A 47 70.948 -9.440 0.656 1.00 0.00 N ATOM 669 CZ ARG A 47 70.821 -10.556 -0.014 1.00 0.00 C ATOM 670 NH1 ARG A 47 69.754 -10.771 -0.735 1.00 0.00 N ATOM 671 NH2 ARG A 47 71.765 -11.456 0.036 1.00 0.00 N ATOM 0 H ARG A 47 71.610 -4.363 1.667 1.00 0.00 H new ATOM 0 HA ARG A 47 71.461 -6.087 -0.779 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.665 -5.201 1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.026 -6.103 0.179 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.526 -7.238 1.369 1.00 0.00 H new ATOM 0 HG3 ARG A 47 70.129 -7.273 2.427 1.00 0.00 H new ATOM 0 HD2 ARG A 47 68.952 -8.773 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 47 69.642 -8.132 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 47 71.784 -9.276 1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 47 69.017 -10.068 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 47 69.658 -11.642 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.600 -11.288 0.597 1.00 0.00 H new ATOM 0 HH22 ARG A 47 71.667 -12.327 -0.486 1.00 0.00 H new ATOM 685 N ILE A 48 70.598 -3.005 -0.698 1.00 0.00 N ATOM 686 CA ILE A 48 70.073 -1.903 -1.549 1.00 0.00 C ATOM 687 C ILE A 48 71.113 -1.533 -2.611 1.00 0.00 C ATOM 688 O ILE A 48 70.780 -1.072 -3.685 1.00 0.00 O ATOM 689 CB ILE A 48 69.840 -0.738 -0.586 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.536 -0.968 0.182 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.738 0.572 -1.371 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.491 -0.038 1.395 1.00 0.00 C ATOM 0 H ILE A 48 71.074 -2.705 0.153 1.00 0.00 H new ATOM 0 HA ILE A 48 69.159 -2.176 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 48 70.675 -0.677 0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.681 -0.779 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.469 -2.007 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.572 1.398 -0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.664 0.740 -1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.905 0.512 -2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.563 -0.200 1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.339 -0.248 2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.539 0.998 1.061 1.00 0.00 H new ATOM 704 N LYS A 49 72.372 -1.735 -2.321 1.00 0.00 N ATOM 705 CA LYS A 49 73.424 -1.398 -3.320 1.00 0.00 C ATOM 706 C LYS A 49 73.650 -2.581 -4.267 1.00 0.00 C ATOM 707 O LYS A 49 74.322 -2.465 -5.272 1.00 0.00 O ATOM 708 CB LYS A 49 74.679 -1.125 -2.490 1.00 0.00 C ATOM 709 CG LYS A 49 75.673 -0.306 -3.316 1.00 0.00 C ATOM 710 CD LYS A 49 76.889 0.035 -2.455 1.00 0.00 C ATOM 711 CE LYS A 49 77.714 -1.231 -2.213 1.00 0.00 C ATOM 712 NZ LYS A 49 78.758 -0.828 -1.231 1.00 0.00 N ATOM 0 H LYS A 49 72.714 -2.117 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 49 73.151 -0.544 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.415 -0.586 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 49 75.135 -2.066 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 49 75.983 -0.870 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.199 0.608 -3.674 1.00 0.00 H new ATOM 0 HD2 LYS A 49 77.499 0.790 -2.951 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.567 0.459 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.094 -2.037 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.161 -1.594 -3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.365 -1.645 -1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.337 -0.064 -1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 78.303 -0.494 -0.358 1.00 0.00 H new ATOM 726 N ASN A 50 73.092 -3.719 -3.953 1.00 0.00 N ATOM 727 CA ASN A 50 73.275 -4.909 -4.834 1.00 0.00 C ATOM 728 C ASN A 50 71.917 -5.490 -5.239 1.00 0.00 C ATOM 729 O ASN A 50 71.821 -6.281 -6.157 1.00 0.00 O ATOM 730 CB ASN A 50 74.052 -5.915 -3.982 1.00 0.00 C ATOM 731 CG ASN A 50 75.341 -6.312 -4.703 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.343 -6.405 -6.005 1.00 0.00 O flip ATOM 733 ND2 ASN A 50 76.356 -6.539 -4.076 1.00 0.00 N flip ATOM 0 H ASN A 50 72.518 -3.876 -3.125 1.00 0.00 H new ATOM 0 HA ASN A 50 73.799 -4.659 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.286 -5.480 -3.011 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.441 -6.798 -3.796 1.00 0.00 H new ATOM 0 HD21 ASN A 50 76.354 -6.466 -3.059 1.00 0.00 H new ATOM 0 HD22 ASN A 50 77.210 -6.802 -4.567 1.00 0.00 H new ATOM 740 N GLY A 51 70.869 -5.107 -4.562 1.00 0.00 N ATOM 741 CA GLY A 51 69.521 -5.644 -4.908 1.00 0.00 C ATOM 742 C GLY A 51 69.555 -7.174 -4.833 1.00 0.00 C ATOM 743 O GLY A 51 70.611 -7.773 -4.855 1.00 0.00 O ATOM 0 H GLY A 51 70.887 -4.446 -3.785 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.772 -5.251 -4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.234 -5.323 -5.909 1.00 0.00 H new ATOM 747 N SER A 52 68.421 -7.826 -4.740 1.00 0.00 N ATOM 748 CA SER A 52 68.456 -9.326 -4.663 1.00 0.00 C ATOM 749 C SER A 52 67.075 -9.919 -4.355 1.00 0.00 C ATOM 750 O SER A 52 66.155 -9.220 -3.982 1.00 0.00 O ATOM 751 CB SER A 52 69.420 -9.633 -3.518 1.00 0.00 C ATOM 752 OG SER A 52 70.612 -10.201 -4.045 1.00 0.00 O ATOM 0 H SER A 52 67.494 -7.401 -4.714 1.00 0.00 H new ATOM 0 HA SER A 52 68.765 -9.761 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.651 -8.721 -2.968 1.00 0.00 H new ATOM 0 HB3 SER A 52 68.956 -10.322 -2.812 1.00 0.00 H new ATOM 0 HG SER A 52 71.142 -9.502 -4.482 1.00 0.00 H new ATOM 758 N GLN A 53 66.936 -11.216 -4.505 1.00 0.00 N ATOM 759 CA GLN A 53 65.624 -11.879 -4.223 1.00 0.00 C ATOM 760 C GLN A 53 65.685 -12.611 -2.874 1.00 0.00 C ATOM 761 O GLN A 53 66.639 -12.483 -2.134 1.00 0.00 O ATOM 762 CB GLN A 53 65.399 -12.843 -5.414 1.00 0.00 C ATOM 763 CG GLN A 53 65.591 -14.314 -5.014 1.00 0.00 C ATOM 764 CD GLN A 53 66.992 -14.513 -4.430 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.142 -15.048 -3.349 1.00 0.00 O ATOM 766 NE2 GLN A 53 68.031 -14.103 -5.104 1.00 0.00 N ATOM 0 H GLN A 53 67.678 -11.845 -4.812 1.00 0.00 H new ATOM 0 HA GLN A 53 64.796 -11.175 -4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.392 -12.704 -5.807 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.092 -12.593 -6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.837 -14.603 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.454 -14.958 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.906 -13.654 -6.011 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.969 -14.231 -4.724 1.00 0.00 H new ATOM 775 N GLY A 54 64.674 -13.369 -2.546 1.00 0.00 N ATOM 776 CA GLY A 54 64.680 -14.093 -1.244 1.00 0.00 C ATOM 777 C GLY A 54 64.567 -13.068 -0.119 1.00 0.00 C ATOM 778 O GLY A 54 64.904 -13.330 1.019 1.00 0.00 O ATOM 0 H GLY A 54 63.846 -13.518 -3.123 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.850 -14.798 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.597 -14.673 -1.137 1.00 0.00 H new ATOM 782 N VAL A 55 64.097 -11.898 -0.443 1.00 0.00 N ATOM 783 CA VAL A 55 63.955 -10.831 0.584 1.00 0.00 C ATOM 784 C VAL A 55 62.506 -10.781 1.077 1.00 0.00 C ATOM 785 O VAL A 55 62.211 -11.118 2.207 1.00 0.00 O ATOM 786 CB VAL A 55 64.324 -9.538 -0.149 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.654 -8.448 0.867 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.545 -9.782 -1.044 1.00 0.00 C ATOM 0 H VAL A 55 63.803 -11.633 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 55 64.585 -10.996 1.458 1.00 0.00 H new ATOM 0 HB VAL A 55 63.480 -9.222 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.916 -7.529 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.787 -8.268 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.495 -8.767 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.805 -8.860 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.387 -10.103 -0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.312 -10.557 -1.774 1.00 0.00 H new ATOM 798 N TRP A 56 61.601 -10.373 0.232 1.00 0.00 N ATOM 799 CA TRP A 56 60.171 -10.306 0.633 1.00 0.00 C ATOM 800 C TRP A 56 59.356 -11.281 -0.218 1.00 0.00 C ATOM 801 O TRP A 56 58.423 -11.904 0.247 1.00 0.00 O ATOM 802 CB TRP A 56 59.758 -8.867 0.339 1.00 0.00 C ATOM 803 CG TRP A 56 60.325 -7.960 1.382 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.524 -7.339 1.303 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.739 -7.559 2.653 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.711 -6.583 2.445 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.638 -6.685 3.307 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.527 -7.867 3.295 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.344 -6.133 4.554 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.228 -7.313 4.551 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.135 -6.449 5.177 1.00 0.00 C ATOM 0 H TRP A 56 61.794 -10.081 -0.726 1.00 0.00 H new ATOM 0 HA TRP A 56 60.009 -10.573 1.677 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.114 -8.570 -0.648 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.671 -8.786 0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.221 -7.420 0.482 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.541 -6.019 2.628 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.822 -8.533 2.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.046 -5.467 5.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.294 -7.555 5.036 1.00 0.00 H new ATOM 0 HH2 TRP A 56 58.899 -6.027 6.143 1.00 0.00 H new ATOM 822 N GLY A 57 59.712 -11.413 -1.466 1.00 0.00 N ATOM 823 CA GLY A 57 58.977 -12.343 -2.365 1.00 0.00 C ATOM 824 C GLY A 57 59.863 -12.681 -3.569 1.00 0.00 C ATOM 825 O GLY A 57 61.047 -12.410 -3.556 1.00 0.00 O ATOM 0 H GLY A 57 60.486 -10.913 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.710 -13.253 -1.828 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.046 -11.885 -2.700 1.00 0.00 H new ATOM 829 N PRO A 58 59.262 -13.263 -4.578 1.00 0.00 N ATOM 830 CA PRO A 58 60.006 -13.643 -5.809 1.00 0.00 C ATOM 831 C PRO A 58 60.411 -12.414 -6.644 1.00 0.00 C ATOM 832 O PRO A 58 60.762 -12.542 -7.799 1.00 0.00 O ATOM 833 CB PRO A 58 58.971 -14.474 -6.573 1.00 0.00 C ATOM 834 CG PRO A 58 57.665 -14.517 -5.753 1.00 0.00 C ATOM 835 CD PRO A 58 57.819 -13.593 -4.540 1.00 0.00 C ATOM 0 HA PRO A 58 60.938 -14.165 -5.591 1.00 0.00 H new ATOM 0 HB2 PRO A 58 58.786 -14.037 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.346 -15.484 -6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 58 56.822 -14.199 -6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.456 -15.536 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.196 -12.703 -4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.540 -14.091 -3.611 1.00 0.00 H new ATOM 843 N ILE A 59 60.359 -11.228 -6.092 1.00 0.00 N ATOM 844 CA ILE A 59 60.740 -10.026 -6.891 1.00 0.00 C ATOM 845 C ILE A 59 62.045 -9.420 -6.357 1.00 0.00 C ATOM 846 O ILE A 59 62.014 -8.499 -5.566 1.00 0.00 O ATOM 847 CB ILE A 59 59.588 -9.033 -6.712 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.250 -9.776 -6.723 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.607 -8.021 -7.857 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.111 -8.767 -6.567 1.00 0.00 C ATOM 0 H ILE A 59 60.072 -11.042 -5.131 1.00 0.00 H new ATOM 0 HA ILE A 59 60.905 -10.276 -7.939 1.00 0.00 H new ATOM 0 HB ILE A 59 59.708 -8.518 -5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.136 -10.330 -7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.219 -10.505 -5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.787 -7.313 -7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.555 -7.483 -7.851 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.492 -8.544 -8.807 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.156 -9.292 -6.574 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.224 -8.233 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.140 -8.055 -7.392 1.00 0.00 H new ATOM 862 N PRO A 60 63.154 -9.951 -6.810 1.00 0.00 N ATOM 863 CA PRO A 60 64.477 -9.448 -6.372 1.00 0.00 C ATOM 864 C PRO A 60 64.655 -7.981 -6.749 1.00 0.00 C ATOM 865 O PRO A 60 64.361 -7.573 -7.855 1.00 0.00 O ATOM 866 CB PRO A 60 65.451 -10.323 -7.161 1.00 0.00 C ATOM 867 CG PRO A 60 64.644 -11.314 -8.022 1.00 0.00 C ATOM 868 CD PRO A 60 63.149 -11.075 -7.775 1.00 0.00 C ATOM 0 HA PRO A 60 64.619 -9.499 -5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.086 -9.704 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.109 -10.863 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 60 64.879 -11.177 -9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 60 64.910 -12.340 -7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.623 -10.817 -8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.660 -11.959 -7.365 1.00 0.00 H new ATOM 876 N MET A 61 65.142 -7.185 -5.841 1.00 0.00 N ATOM 877 CA MET A 61 65.348 -5.748 -6.155 1.00 0.00 C ATOM 878 C MET A 61 66.580 -5.574 -7.045 1.00 0.00 C ATOM 879 O MET A 61 67.615 -6.138 -6.761 1.00 0.00 O ATOM 880 CB MET A 61 65.600 -5.089 -4.806 1.00 0.00 C ATOM 881 CG MET A 61 66.056 -3.645 -5.027 1.00 0.00 C ATOM 882 SD MET A 61 66.186 -2.797 -3.435 1.00 0.00 S ATOM 883 CE MET A 61 67.504 -3.818 -2.741 1.00 0.00 C ATOM 0 H MET A 61 65.406 -7.468 -4.897 1.00 0.00 H new ATOM 0 HA MET A 61 64.497 -5.318 -6.683 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.692 -5.108 -4.204 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.360 -5.642 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.019 -3.632 -5.537 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.347 -3.124 -5.671 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.700 -3.510 -1.714 1.00 0.00 H new ATOM 0 HE2 MET A 61 67.199 -4.864 -2.754 1.00 0.00 H new ATOM 0 HE3 MET A 61 68.410 -3.696 -3.335 1.00 0.00 H new ATOM 893 N PRO A 62 66.446 -4.786 -8.086 1.00 0.00 N ATOM 894 CA PRO A 62 67.589 -4.528 -8.990 1.00 0.00 C ATOM 895 C PRO A 62 68.630 -3.672 -8.254 1.00 0.00 C ATOM 896 O PRO A 62 68.275 -2.701 -7.614 1.00 0.00 O ATOM 897 CB PRO A 62 66.942 -3.735 -10.130 1.00 0.00 C ATOM 898 CG PRO A 62 65.442 -3.562 -9.822 1.00 0.00 C ATOM 899 CD PRO A 62 65.160 -4.132 -8.426 1.00 0.00 C ATOM 0 HA PRO A 62 68.104 -5.425 -9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.421 -2.761 -10.233 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.075 -4.258 -11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.166 -2.508 -9.863 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.840 -4.078 -10.570 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.900 -3.350 -7.712 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.333 -4.842 -8.436 1.00 0.00 H new ATOM 907 N PRO A 63 69.880 -4.045 -8.356 1.00 0.00 N ATOM 908 CA PRO A 63 70.949 -3.278 -7.675 1.00 0.00 C ATOM 909 C PRO A 63 70.941 -1.822 -8.150 1.00 0.00 C ATOM 910 O PRO A 63 70.689 -1.536 -9.305 1.00 0.00 O ATOM 911 CB PRO A 63 72.219 -4.010 -8.112 1.00 0.00 C ATOM 912 CG PRO A 63 71.824 -5.184 -9.031 1.00 0.00 C ATOM 913 CD PRO A 63 70.293 -5.227 -9.146 1.00 0.00 C ATOM 0 HA PRO A 63 70.843 -3.231 -6.591 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.886 -3.327 -8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.761 -4.378 -7.241 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.273 -5.060 -10.016 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.199 -6.124 -8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.962 -5.159 -10.182 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.881 -6.151 -8.740 1.00 0.00 H new ATOM 921 N ASN A 64 71.200 -0.898 -7.266 1.00 0.00 N ATOM 922 CA ASN A 64 71.188 0.540 -7.664 1.00 0.00 C ATOM 923 C ASN A 64 72.595 1.139 -7.590 1.00 0.00 C ATOM 924 O ASN A 64 73.563 0.450 -7.334 1.00 0.00 O ATOM 925 CB ASN A 64 70.270 1.213 -6.645 1.00 0.00 C ATOM 926 CG ASN A 64 68.881 0.577 -6.719 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.687 -0.594 -6.181 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 67.966 1.151 -7.276 1.00 0.00 N flip ATOM 0 H ASN A 64 71.419 -1.075 -6.286 1.00 0.00 H new ATOM 0 HA ASN A 64 70.847 0.678 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.680 1.103 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.204 2.282 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.120 2.067 -7.697 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.044 0.716 -7.323 1.00 0.00 H new ATOM 935 N ALA A 65 72.710 2.422 -7.813 1.00 0.00 N ATOM 936 CA ALA A 65 74.047 3.079 -7.755 1.00 0.00 C ATOM 937 C ALA A 65 74.077 4.103 -6.619 1.00 0.00 C ATOM 938 O ALA A 65 74.718 5.130 -6.708 1.00 0.00 O ATOM 939 CB ALA A 65 74.207 3.773 -9.107 1.00 0.00 C ATOM 0 H ALA A 65 71.932 3.044 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 65 74.851 2.368 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.170 4.282 -9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.158 3.032 -9.905 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.407 4.501 -9.239 1.00 0.00 H new ATOM 945 N VAL A 66 73.389 3.824 -5.548 1.00 0.00 N ATOM 946 CA VAL A 66 73.376 4.774 -4.399 1.00 0.00 C ATOM 947 C VAL A 66 74.710 4.704 -3.655 1.00 0.00 C ATOM 948 O VAL A 66 75.078 3.671 -3.131 1.00 0.00 O ATOM 949 CB VAL A 66 72.237 4.289 -3.497 1.00 0.00 C ATOM 950 CG1 VAL A 66 70.967 4.107 -4.329 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.626 2.949 -2.867 1.00 0.00 C ATOM 0 H VAL A 66 72.834 2.978 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 66 73.234 5.808 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 66 72.055 5.025 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.157 3.762 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 66 70.690 5.059 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.147 3.371 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.817 2.601 -2.224 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.806 2.216 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.532 3.075 -2.274 1.00 0.00 H new ATOM 961 N SER A 67 75.438 5.788 -3.596 1.00 0.00 N ATOM 962 CA SER A 67 76.743 5.763 -2.873 1.00 0.00 C ATOM 963 C SER A 67 76.568 5.007 -1.557 1.00 0.00 C ATOM 964 O SER A 67 75.470 4.849 -1.076 1.00 0.00 O ATOM 965 CB SER A 67 77.084 7.228 -2.611 1.00 0.00 C ATOM 966 OG SER A 67 78.459 7.448 -2.897 1.00 0.00 O ATOM 0 H SER A 67 75.187 6.684 -4.014 1.00 0.00 H new ATOM 0 HA SER A 67 77.532 5.267 -3.438 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.464 7.874 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 67 76.871 7.483 -1.573 1.00 0.00 H new ATOM 0 HG SER A 67 78.681 8.388 -2.732 1.00 0.00 H new ATOM 972 N ASP A 68 77.628 4.527 -0.974 1.00 0.00 N ATOM 973 CA ASP A 68 77.483 3.777 0.306 1.00 0.00 C ATOM 974 C ASP A 68 76.702 4.608 1.327 1.00 0.00 C ATOM 975 O ASP A 68 75.752 4.140 1.924 1.00 0.00 O ATOM 976 CB ASP A 68 78.912 3.527 0.788 1.00 0.00 C ATOM 977 CG ASP A 68 78.919 2.350 1.764 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.974 2.232 2.526 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.870 1.587 1.733 1.00 0.00 O ATOM 0 H ASP A 68 78.582 4.619 -1.323 1.00 0.00 H new ATOM 0 HA ASP A 68 76.932 2.846 0.176 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.562 3.314 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.305 4.420 1.274 1.00 0.00 H new ATOM 984 N ASP A 69 77.088 5.836 1.531 1.00 0.00 N ATOM 985 CA ASP A 69 76.360 6.690 2.510 1.00 0.00 C ATOM 986 C ASP A 69 74.936 6.957 2.014 1.00 0.00 C ATOM 987 O ASP A 69 74.048 7.277 2.780 1.00 0.00 O ATOM 988 CB ASP A 69 77.162 7.988 2.576 1.00 0.00 C ATOM 989 CG ASP A 69 77.443 8.343 4.038 1.00 0.00 C ATOM 990 OD1 ASP A 69 78.303 7.708 4.626 1.00 0.00 O ATOM 991 OD2 ASP A 69 76.796 9.245 4.543 1.00 0.00 O ATOM 0 H ASP A 69 77.875 6.285 1.063 1.00 0.00 H new ATOM 0 HA ASP A 69 76.272 6.219 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.100 7.876 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.608 8.794 2.095 1.00 0.00 H new ATOM 996 N GLU A 70 74.712 6.827 0.734 1.00 0.00 N ATOM 997 CA GLU A 70 73.347 7.071 0.186 1.00 0.00 C ATOM 998 C GLU A 70 72.431 5.885 0.494 1.00 0.00 C ATOM 999 O GLU A 70 71.277 6.054 0.835 1.00 0.00 O ATOM 1000 CB GLU A 70 73.544 7.225 -1.322 1.00 0.00 C ATOM 1001 CG GLU A 70 74.324 8.509 -1.605 1.00 0.00 C ATOM 1002 CD GLU A 70 73.587 9.700 -0.992 1.00 0.00 C ATOM 1003 OE1 GLU A 70 72.650 10.176 -1.612 1.00 0.00 O ATOM 1004 OE2 GLU A 70 73.972 10.118 0.088 1.00 0.00 O ATOM 0 H GLU A 70 75.415 6.562 0.044 1.00 0.00 H new ATOM 0 HA GLU A 70 72.879 7.952 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.083 6.365 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.577 7.256 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 70 75.329 8.436 -1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.434 8.650 -2.680 1.00 0.00 H new ATOM 1011 N ALA A 71 72.934 4.687 0.387 1.00 0.00 N ATOM 1012 CA ALA A 71 72.089 3.500 0.686 1.00 0.00 C ATOM 1013 C ALA A 71 71.853 3.423 2.192 1.00 0.00 C ATOM 1014 O ALA A 71 70.859 2.898 2.652 1.00 0.00 O ATOM 1015 CB ALA A 71 72.895 2.295 0.199 1.00 0.00 C ATOM 0 H ALA A 71 73.892 4.480 0.106 1.00 0.00 H new ATOM 0 HA ALA A 71 71.114 3.542 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.332 1.381 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.083 2.391 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.845 2.253 0.732 1.00 0.00 H new ATOM 1021 N GLN A 72 72.754 3.970 2.962 1.00 0.00 N ATOM 1022 CA GLN A 72 72.573 3.960 4.436 1.00 0.00 C ATOM 1023 C GLN A 72 71.408 4.883 4.768 1.00 0.00 C ATOM 1024 O GLN A 72 70.534 4.555 5.548 1.00 0.00 O ATOM 1025 CB GLN A 72 73.891 4.496 5.006 1.00 0.00 C ATOM 1026 CG GLN A 72 73.649 5.114 6.385 1.00 0.00 C ATOM 1027 CD GLN A 72 74.932 5.033 7.215 1.00 0.00 C ATOM 1028 OE1 GLN A 72 75.459 6.042 7.639 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.458 3.866 7.468 1.00 0.00 N ATOM 0 H GLN A 72 73.606 4.422 2.631 1.00 0.00 H new ATOM 0 HA GLN A 72 72.351 2.975 4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.619 3.689 5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 72 74.312 5.242 4.332 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.337 6.153 6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 72 72.841 4.588 6.894 1.00 0.00 H new ATOM 0 HE21 GLN A 72 75.015 3.019 7.112 1.00 0.00 H new ATOM 0 HE22 GLN A 72 76.312 3.801 8.022 1.00 0.00 H new ATOM 1038 N THR A 73 71.379 6.028 4.150 1.00 0.00 N ATOM 1039 CA THR A 73 70.261 6.974 4.386 1.00 0.00 C ATOM 1040 C THR A 73 69.001 6.419 3.726 1.00 0.00 C ATOM 1041 O THR A 73 67.892 6.724 4.118 1.00 0.00 O ATOM 1042 CB THR A 73 70.690 8.277 3.714 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.098 8.424 3.823 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.994 9.458 4.394 1.00 0.00 C ATOM 0 H THR A 73 72.086 6.349 3.489 1.00 0.00 H new ATOM 0 HA THR A 73 70.046 7.126 5.444 1.00 0.00 H new ATOM 0 HB THR A 73 70.410 8.253 2.661 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.521 8.153 2.982 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.301 10.387 3.914 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.914 9.344 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.271 9.486 5.448 1.00 0.00 H new ATOM 1052 N LEU A 74 69.169 5.590 2.728 1.00 0.00 N ATOM 1053 CA LEU A 74 67.983 4.998 2.048 1.00 0.00 C ATOM 1054 C LEU A 74 67.355 3.942 2.957 1.00 0.00 C ATOM 1055 O LEU A 74 66.154 3.758 2.978 1.00 0.00 O ATOM 1056 CB LEU A 74 68.522 4.357 0.765 1.00 0.00 C ATOM 1057 CG LEU A 74 68.767 5.447 -0.281 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.588 4.874 -1.438 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.423 5.952 -0.813 1.00 0.00 C ATOM 0 H LEU A 74 70.074 5.299 2.357 1.00 0.00 H new ATOM 0 HA LEU A 74 67.216 5.739 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.449 3.822 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.810 3.625 0.384 1.00 0.00 H new ATOM 0 HG LEU A 74 69.313 6.272 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.761 5.652 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.545 4.513 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 74 69.044 4.049 -1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.595 6.729 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.879 5.125 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.837 6.362 0.010 1.00 0.00 H new ATOM 1071 N ALA A 75 68.161 3.260 3.724 1.00 0.00 N ATOM 1072 CA ALA A 75 67.615 2.230 4.650 1.00 0.00 C ATOM 1073 C ALA A 75 66.927 2.925 5.822 1.00 0.00 C ATOM 1074 O ALA A 75 65.790 2.642 6.147 1.00 0.00 O ATOM 1075 CB ALA A 75 68.831 1.438 5.129 1.00 0.00 C ATOM 0 H ALA A 75 69.174 3.372 3.749 1.00 0.00 H new ATOM 0 HA ALA A 75 66.880 1.580 4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.508 0.657 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.329 0.983 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.524 2.108 5.638 1.00 0.00 H new ATOM 1081 N LYS A 76 67.603 3.851 6.449 1.00 0.00 N ATOM 1082 CA LYS A 76 66.979 4.580 7.585 1.00 0.00 C ATOM 1083 C LYS A 76 65.791 5.389 7.066 1.00 0.00 C ATOM 1084 O LYS A 76 64.846 5.656 7.781 1.00 0.00 O ATOM 1085 CB LYS A 76 68.074 5.503 8.120 1.00 0.00 C ATOM 1086 CG LYS A 76 68.576 4.972 9.465 1.00 0.00 C ATOM 1087 CD LYS A 76 68.612 6.112 10.484 1.00 0.00 C ATOM 1088 CE LYS A 76 68.157 5.591 11.849 1.00 0.00 C ATOM 1089 NZ LYS A 76 66.674 5.746 11.854 1.00 0.00 N ATOM 0 H LYS A 76 68.557 4.132 6.223 1.00 0.00 H new ATOM 0 HA LYS A 76 66.608 3.915 8.365 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.898 5.558 7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.686 6.515 8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 76 67.923 4.174 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.571 4.542 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 76 69.621 6.518 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 76 67.963 6.925 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 76 68.444 4.549 11.988 1.00 0.00 H new ATOM 0 HE3 LYS A 76 68.615 6.158 12.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 66.293 5.408 12.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 66.429 6.749 11.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 66.264 5.189 11.077 1.00 0.00 H new ATOM 1103 N TRP A 77 65.828 5.767 5.815 1.00 0.00 N ATOM 1104 CA TRP A 77 64.696 6.544 5.238 1.00 0.00 C ATOM 1105 C TRP A 77 63.465 5.644 5.140 1.00 0.00 C ATOM 1106 O TRP A 77 62.369 6.034 5.489 1.00 0.00 O ATOM 1107 CB TRP A 77 65.167 6.965 3.846 1.00 0.00 C ATOM 1108 CG TRP A 77 64.017 7.540 3.083 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.398 8.707 3.374 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.338 6.998 1.913 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.384 8.916 2.457 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.307 7.890 1.537 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.515 5.829 1.151 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.482 7.634 0.441 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.686 5.568 0.047 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.671 6.470 -0.306 1.00 0.00 C ATOM 0 H TRP A 77 66.593 5.571 5.170 1.00 0.00 H new ATOM 0 HA TRP A 77 64.425 7.408 5.845 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.967 7.701 3.928 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.577 6.107 3.314 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.654 9.368 4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.768 9.729 2.460 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.293 5.128 1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.703 8.332 0.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.831 4.668 -0.533 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.036 6.264 -1.155 1.00 0.00 H new ATOM 1127 N ILE A 78 63.641 4.432 4.681 1.00 0.00 N ATOM 1128 CA ILE A 78 62.482 3.502 4.580 1.00 0.00 C ATOM 1129 C ILE A 78 61.834 3.351 5.956 1.00 0.00 C ATOM 1130 O ILE A 78 60.643 3.526 6.117 1.00 0.00 O ATOM 1131 CB ILE A 78 63.074 2.166 4.121 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.644 2.303 2.705 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.979 1.097 4.125 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.816 1.335 2.537 1.00 0.00 C ATOM 0 H ILE A 78 64.535 4.049 4.373 1.00 0.00 H new ATOM 0 HA ILE A 78 61.718 3.860 3.890 1.00 0.00 H new ATOM 0 HB ILE A 78 63.874 1.878 4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.871 2.088 1.967 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.975 3.327 2.531 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.398 0.145 3.799 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.578 0.990 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.179 1.393 3.446 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.224 1.429 1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.591 1.571 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 78 64.470 0.313 2.694 1.00 0.00 H new ATOM 1146 N LEU A 79 62.616 3.036 6.953 1.00 0.00 N ATOM 1147 CA LEU A 79 62.049 2.886 8.322 1.00 0.00 C ATOM 1148 C LEU A 79 61.573 4.247 8.832 1.00 0.00 C ATOM 1149 O LEU A 79 60.743 4.338 9.716 1.00 0.00 O ATOM 1150 CB LEU A 79 63.208 2.367 9.175 1.00 0.00 C ATOM 1151 CG LEU A 79 63.524 0.922 8.788 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.926 0.848 8.182 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.462 0.038 10.036 1.00 0.00 C ATOM 0 H LEU A 79 63.621 2.877 6.878 1.00 0.00 H new ATOM 0 HA LEU A 79 61.193 2.212 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.088 2.993 9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 79 62.948 2.422 10.232 1.00 0.00 H new ATOM 0 HG LEU A 79 62.795 0.574 8.056 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.149 -0.183 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.972 1.479 7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.657 1.195 8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.687 -0.993 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.192 0.388 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.463 0.089 10.469 1.00 0.00 H new ATOM 1165 N SER A 80 62.093 5.308 8.275 1.00 0.00 N ATOM 1166 CA SER A 80 61.674 6.668 8.716 1.00 0.00 C ATOM 1167 C SER A 80 60.312 7.021 8.113 1.00 0.00 C ATOM 1168 O SER A 80 59.588 7.847 8.633 1.00 0.00 O ATOM 1169 CB SER A 80 62.754 7.605 8.178 1.00 0.00 C ATOM 1170 OG SER A 80 62.149 8.816 7.743 1.00 0.00 O ATOM 0 H SER A 80 62.791 5.290 7.532 1.00 0.00 H new ATOM 0 HA SER A 80 61.572 6.740 9.799 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.492 7.811 8.953 1.00 0.00 H new ATOM 0 HB3 SER A 80 63.284 7.132 7.351 1.00 0.00 H new ATOM 0 HG SER A 80 62.839 9.421 7.398 1.00 0.00 H new