USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 694 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.0313) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.177 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0257 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 44:sc= 1.18 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.241 K(o=-0.24,f=-1.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 88:sc= 0.316 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -10:sc= 0.711 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.060 -9.948 -6.409 1.00 0.00 N ATOM 2 CA MET A 1 -15.400 -11.312 -6.775 1.00 0.00 C ATOM 3 C MET A 1 -16.163 -11.351 -8.101 1.00 0.00 C ATOM 4 O MET A 1 -17.300 -10.888 -8.181 1.00 0.00 O ATOM 5 CB MET A 1 -16.260 -11.937 -5.673 1.00 0.00 C ATOM 6 CG MET A 1 -15.500 -13.050 -4.950 1.00 0.00 C ATOM 7 SD MET A 1 -16.488 -14.536 -4.907 1.00 0.00 S ATOM 8 CE MET A 1 -15.580 -15.477 -3.693 1.00 0.00 C ATOM 0 H1 MET A 1 -14.543 -9.949 -5.506 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.462 -9.529 -7.150 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.931 -9.388 -6.309 1.00 0.00 H new ATOM 0 HA MET A 1 -14.476 -11.877 -6.893 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.555 -11.169 -4.958 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.176 -12.339 -6.106 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.556 -13.246 -5.458 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.257 -12.736 -3.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.065 -16.442 -3.544 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.560 -15.634 -4.043 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.560 -14.931 -2.750 1.00 0.00 H new ATOM 18 N GLY A 2 -15.506 -11.907 -9.108 1.00 0.00 N ATOM 19 CA GLY A 2 -16.107 -12.011 -10.427 1.00 0.00 C ATOM 20 C GLY A 2 -15.914 -13.414 -11.008 1.00 0.00 C ATOM 21 O GLY A 2 -16.886 -14.113 -11.289 1.00 0.00 O ATOM 0 H GLY A 2 -14.563 -12.290 -9.037 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.171 -11.782 -10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -15.661 -11.273 -11.093 1.00 0.00 H new ATOM 25 N LYS A 3 -14.652 -13.783 -11.171 1.00 0.00 N ATOM 26 CA LYS A 3 -14.318 -15.089 -11.713 1.00 0.00 C ATOM 27 C LYS A 3 -12.805 -15.300 -11.628 1.00 0.00 C ATOM 28 O LYS A 3 -12.108 -15.233 -12.639 1.00 0.00 O ATOM 29 CB LYS A 3 -14.882 -15.241 -13.127 1.00 0.00 C ATOM 30 CG LYS A 3 -14.675 -16.665 -13.649 1.00 0.00 C ATOM 31 CD LYS A 3 -15.560 -17.659 -12.895 1.00 0.00 C ATOM 32 CE LYS A 3 -14.802 -18.291 -11.726 1.00 0.00 C ATOM 33 NZ LYS A 3 -15.662 -18.354 -10.524 1.00 0.00 N ATOM 0 H LYS A 3 -13.848 -13.200 -10.937 1.00 0.00 H new ATOM 0 HA LYS A 3 -14.783 -15.878 -11.122 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.945 -15.001 -13.126 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -14.395 -14.530 -13.795 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.905 -16.703 -14.714 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.628 -16.948 -13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.450 -17.150 -12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.900 -18.439 -13.577 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.473 -19.294 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -13.906 -17.710 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.458 -19.227 -9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.472 -17.531 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.661 -18.349 -10.812 1.00 0.00 H new ATOM 47 N GLU A 4 -12.343 -15.552 -10.412 1.00 0.00 N ATOM 48 CA GLU A 4 -10.926 -15.774 -10.182 1.00 0.00 C ATOM 49 C GLU A 4 -10.722 -16.697 -8.979 1.00 0.00 C ATOM 50 O GLU A 4 -10.068 -17.733 -9.090 1.00 0.00 O ATOM 51 CB GLU A 4 -10.188 -14.449 -9.987 1.00 0.00 C ATOM 52 CG GLU A 4 -9.327 -14.115 -11.208 1.00 0.00 C ATOM 53 CD GLU A 4 -7.851 -14.410 -10.934 1.00 0.00 C ATOM 54 OE1 GLU A 4 -7.405 -15.554 -11.106 1.00 0.00 O ATOM 55 OE2 GLU A 4 -7.159 -13.399 -10.530 1.00 0.00 O ATOM 0 H GLU A 4 -12.925 -15.607 -9.576 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.507 -16.259 -11.063 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.909 -13.649 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.559 -14.506 -9.099 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.665 -14.696 -12.066 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.450 -13.063 -11.467 1.00 0.00 H new ATOM 62 N SER A 5 -11.294 -16.288 -7.856 1.00 0.00 N ATOM 63 CA SER A 5 -11.183 -17.066 -6.633 1.00 0.00 C ATOM 64 C SER A 5 -9.731 -17.500 -6.419 1.00 0.00 C ATOM 65 O SER A 5 -9.380 -18.651 -6.674 1.00 0.00 O ATOM 66 CB SER A 5 -12.102 -18.288 -6.672 1.00 0.00 C ATOM 67 OG SER A 5 -12.073 -19.017 -5.448 1.00 0.00 O ATOM 0 H SER A 5 -11.836 -15.428 -7.767 1.00 0.00 H new ATOM 0 HA SER A 5 -11.495 -16.438 -5.799 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.123 -17.967 -6.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.801 -18.942 -7.491 1.00 0.00 H new ATOM 0 HG SER A 5 -12.674 -19.789 -5.512 1.00 0.00 H new ATOM 73 N GLY A 6 -8.927 -16.556 -5.952 1.00 0.00 N ATOM 74 CA GLY A 6 -7.522 -16.826 -5.701 1.00 0.00 C ATOM 75 C GLY A 6 -6.980 -15.925 -4.589 1.00 0.00 C ATOM 76 O GLY A 6 -6.390 -16.409 -3.625 1.00 0.00 O ATOM 0 H GLY A 6 -9.222 -15.603 -5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -7.393 -17.872 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.949 -16.667 -6.614 1.00 0.00 H new ATOM 80 N TRP A 7 -7.201 -14.630 -4.762 1.00 0.00 N ATOM 81 CA TRP A 7 -6.742 -13.656 -3.785 1.00 0.00 C ATOM 82 C TRP A 7 -7.198 -14.124 -2.401 1.00 0.00 C ATOM 83 O TRP A 7 -6.377 -14.315 -1.505 1.00 0.00 O ATOM 84 CB TRP A 7 -7.240 -12.253 -4.135 1.00 0.00 C ATOM 85 CG TRP A 7 -6.338 -11.127 -3.624 1.00 0.00 C ATOM 86 CD1 TRP A 7 -5.124 -10.775 -4.070 1.00 0.00 C ATOM 87 CD2 TRP A 7 -6.629 -10.215 -2.545 1.00 0.00 C ATOM 88 NE1 TRP A 7 -4.614 -9.708 -3.360 1.00 0.00 N ATOM 89 CE2 TRP A 7 -5.559 -9.356 -2.403 1.00 0.00 C ATOM 90 CE3 TRP A 7 -7.761 -10.119 -1.715 1.00 0.00 C ATOM 91 CZ2 TRP A 7 -5.513 -8.340 -1.441 1.00 0.00 C ATOM 92 CZ3 TRP A 7 -7.700 -9.098 -0.759 1.00 0.00 C ATOM 93 CH2 TRP A 7 -6.629 -8.225 -0.604 1.00 0.00 C ATOM 0 H TRP A 7 -7.691 -14.232 -5.563 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.654 -13.588 -3.789 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -7.329 -12.170 -5.218 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -8.240 -12.120 -3.722 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.610 -11.265 -4.883 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.710 -9.260 -3.510 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -8.610 -10.780 -1.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -4.663 -7.681 -1.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -8.544 -8.980 -0.095 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.658 -7.461 0.159 1.00 0.00 H new ATOM 104 N ASP A 8 -8.505 -14.296 -2.270 1.00 0.00 N ATOM 105 CA ASP A 8 -9.079 -14.737 -1.011 1.00 0.00 C ATOM 106 C ASP A 8 -8.673 -13.765 0.099 1.00 0.00 C ATOM 107 O ASP A 8 -7.759 -12.961 -0.079 1.00 0.00 O ATOM 108 CB ASP A 8 -8.569 -16.129 -0.631 1.00 0.00 C ATOM 109 CG ASP A 8 -9.396 -16.852 0.434 1.00 0.00 C ATOM 110 OD1 ASP A 8 -10.615 -16.651 0.541 1.00 0.00 O ATOM 111 OD2 ASP A 8 -8.730 -17.664 1.183 1.00 0.00 O ATOM 0 H ASP A 8 -9.183 -14.138 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 8 -10.162 -14.769 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.541 -16.747 -1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.543 -16.039 -0.274 1.00 0.00 H new ATOM 116 N SER A 9 -9.373 -13.870 1.219 1.00 0.00 N ATOM 117 CA SER A 9 -9.097 -13.011 2.357 1.00 0.00 C ATOM 118 C SER A 9 -9.373 -13.763 3.660 1.00 0.00 C ATOM 119 O SER A 9 -8.468 -13.964 4.469 1.00 0.00 O ATOM 120 CB SER A 9 -9.932 -11.730 2.296 1.00 0.00 C ATOM 121 OG SER A 9 -11.330 -12.003 2.343 1.00 0.00 O ATOM 0 H SER A 9 -10.131 -14.537 1.362 1.00 0.00 H new ATOM 0 HA SER A 9 -8.045 -12.728 2.324 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.661 -11.080 3.128 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.699 -11.188 1.379 1.00 0.00 H new ATOM 0 HG SER A 9 -11.829 -11.161 2.304 1.00 0.00 H new ATOM 127 N GLY A 10 -10.627 -14.158 3.824 1.00 0.00 N ATOM 128 CA GLY A 10 -11.034 -14.883 5.015 1.00 0.00 C ATOM 129 C GLY A 10 -10.836 -14.031 6.271 1.00 0.00 C ATOM 130 O GLY A 10 -10.840 -12.803 6.199 1.00 0.00 O ATOM 0 H GLY A 10 -11.375 -13.989 3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.081 -15.172 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.456 -15.803 5.100 1.00 0.00 H new ATOM 134 N ARG A 11 -10.667 -14.717 7.392 1.00 0.00 N ATOM 135 CA ARG A 11 -10.468 -14.038 8.661 1.00 0.00 C ATOM 136 C ARG A 11 -9.013 -13.585 8.799 1.00 0.00 C ATOM 137 O ARG A 11 -8.747 -12.417 9.079 1.00 0.00 O ATOM 138 CB ARG A 11 -10.824 -14.951 9.836 1.00 0.00 C ATOM 139 CG ARG A 11 -12.266 -14.723 10.291 1.00 0.00 C ATOM 140 CD ARG A 11 -12.316 -14.278 11.754 1.00 0.00 C ATOM 141 NE ARG A 11 -13.401 -14.991 12.464 1.00 0.00 N ATOM 142 CZ ARG A 11 -14.713 -14.846 12.182 1.00 0.00 C ATOM 143 NH1 ARG A 11 -15.115 -14.011 11.201 1.00 0.00 N ATOM 144 NH2 ARG A 11 -15.597 -15.534 12.881 1.00 0.00 N ATOM 0 H ARG A 11 -10.664 -15.735 7.448 1.00 0.00 H new ATOM 0 HA ARG A 11 -11.126 -13.169 8.678 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.691 -15.993 9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.143 -14.763 10.666 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.735 -13.967 9.661 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.840 -15.641 10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.360 -14.480 12.237 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.480 -13.202 11.810 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.141 -15.632 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.425 -13.483 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -16.109 -13.908 10.995 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.284 -16.163 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -16.593 -15.437 12.681 1.00 0.00 H new ATOM 158 N ALA A 12 -8.110 -14.532 8.594 1.00 0.00 N ATOM 159 CA ALA A 12 -6.689 -14.245 8.692 1.00 0.00 C ATOM 160 C ALA A 12 -6.389 -12.927 7.975 1.00 0.00 C ATOM 161 O ALA A 12 -5.434 -12.232 8.320 1.00 0.00 O ATOM 162 CB ALA A 12 -5.891 -15.416 8.116 1.00 0.00 C ATOM 0 H ALA A 12 -8.335 -15.499 8.360 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.392 -14.129 9.734 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.825 -15.201 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.118 -16.322 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.161 -15.561 7.070 1.00 0.00 H new ATOM 168 N ALA A 13 -7.223 -12.622 6.992 1.00 0.00 N ATOM 169 CA ALA A 13 -7.059 -11.399 6.224 1.00 0.00 C ATOM 170 C ALA A 13 -6.714 -10.249 7.172 1.00 0.00 C ATOM 171 O ALA A 13 -5.696 -9.580 6.998 1.00 0.00 O ATOM 172 CB ALA A 13 -8.330 -11.128 5.418 1.00 0.00 C ATOM 0 H ALA A 13 -8.014 -13.200 6.709 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.238 -11.499 5.514 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.207 -10.211 4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.515 -11.961 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.175 -11.019 6.097 1.00 0.00 H new ATOM 178 N VAL A 14 -7.580 -10.054 8.155 1.00 0.00 N ATOM 179 CA VAL A 14 -7.380 -8.997 9.131 1.00 0.00 C ATOM 180 C VAL A 14 -5.925 -9.015 9.604 1.00 0.00 C ATOM 181 O VAL A 14 -5.266 -7.977 9.636 1.00 0.00 O ATOM 182 CB VAL A 14 -8.383 -9.145 10.277 1.00 0.00 C ATOM 183 CG1 VAL A 14 -9.799 -9.364 9.740 1.00 0.00 C ATOM 184 CG2 VAL A 14 -7.974 -10.276 11.221 1.00 0.00 C ATOM 0 H VAL A 14 -8.423 -10.611 8.297 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.564 -8.022 8.681 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.380 -8.216 10.847 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.493 -9.466 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.092 -8.511 9.127 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.823 -10.271 9.135 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.704 -10.360 12.026 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.934 -11.215 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.992 -10.061 11.642 1.00 0.00 H new ATOM 194 N ALA A 15 -5.467 -10.206 9.961 1.00 0.00 N ATOM 195 CA ALA A 15 -4.102 -10.372 10.431 1.00 0.00 C ATOM 196 C ALA A 15 -3.136 -9.794 9.396 1.00 0.00 C ATOM 197 O ALA A 15 -2.195 -9.084 9.748 1.00 0.00 O ATOM 198 CB ALA A 15 -3.836 -11.853 10.713 1.00 0.00 C ATOM 0 H ALA A 15 -6.017 -11.065 9.934 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.949 -9.829 11.364 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.812 -11.978 11.066 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.529 -12.208 11.476 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.978 -12.429 9.798 1.00 0.00 H new ATOM 204 N ALA A 16 -3.402 -10.118 8.139 1.00 0.00 N ATOM 205 CA ALA A 16 -2.568 -9.639 7.050 1.00 0.00 C ATOM 206 C ALA A 16 -2.617 -8.111 7.010 1.00 0.00 C ATOM 207 O ALA A 16 -1.649 -7.465 6.611 1.00 0.00 O ATOM 208 CB ALA A 16 -3.030 -10.272 5.736 1.00 0.00 C ATOM 0 H ALA A 16 -4.184 -10.707 7.851 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.529 -9.931 7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.404 -9.912 4.919 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.948 -11.357 5.806 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.068 -9.998 5.545 1.00 0.00 H new ATOM 214 N VAL A 17 -3.755 -7.576 7.428 1.00 0.00 N ATOM 215 CA VAL A 17 -3.943 -6.135 7.445 1.00 0.00 C ATOM 216 C VAL A 17 -3.288 -5.554 8.700 1.00 0.00 C ATOM 217 O VAL A 17 -2.997 -4.361 8.757 1.00 0.00 O ATOM 218 CB VAL A 17 -5.432 -5.800 7.338 1.00 0.00 C ATOM 219 CG1 VAL A 17 -5.645 -4.293 7.182 1.00 0.00 C ATOM 220 CG2 VAL A 17 -6.085 -6.569 6.187 1.00 0.00 C ATOM 0 H VAL A 17 -4.556 -8.115 7.757 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.458 -5.677 6.583 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.914 -6.112 8.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.712 -4.082 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.232 -3.776 8.048 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.143 -3.946 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.143 -6.313 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.598 -6.302 5.249 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.979 -7.640 6.359 1.00 0.00 H new ATOM 230 N VAL A 18 -3.076 -6.426 9.676 1.00 0.00 N ATOM 231 CA VAL A 18 -2.462 -6.014 10.926 1.00 0.00 C ATOM 232 C VAL A 18 -0.951 -5.875 10.726 1.00 0.00 C ATOM 233 O VAL A 18 -0.397 -4.789 10.889 1.00 0.00 O ATOM 234 CB VAL A 18 -2.829 -6.998 12.038 1.00 0.00 C ATOM 235 CG1 VAL A 18 -1.910 -6.825 13.249 1.00 0.00 C ATOM 236 CG2 VAL A 18 -4.298 -6.850 12.439 1.00 0.00 C ATOM 0 H VAL A 18 -3.319 -7.415 9.626 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.840 -5.039 11.234 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.688 -8.007 11.652 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.193 -7.537 14.025 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.877 -7.005 12.951 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.005 -5.810 13.636 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.532 -7.561 13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.477 -5.836 12.797 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.933 -7.047 11.575 1.00 0.00 H new ATOM 246 N GLY A 19 -0.328 -6.990 10.375 1.00 0.00 N ATOM 247 CA GLY A 19 1.108 -7.007 10.150 1.00 0.00 C ATOM 248 C GLY A 19 1.517 -5.932 9.141 1.00 0.00 C ATOM 249 O GLY A 19 1.110 -5.978 7.981 1.00 0.00 O ATOM 0 H GLY A 19 -0.791 -7.889 10.241 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.630 -6.843 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.411 -7.988 9.784 1.00 0.00 H new ATOM 253 N GLY A 20 2.317 -4.991 9.619 1.00 0.00 N ATOM 254 CA GLY A 20 2.786 -3.906 8.772 1.00 0.00 C ATOM 255 C GLY A 20 2.263 -2.557 9.270 1.00 0.00 C ATOM 256 O GLY A 20 2.412 -1.542 8.592 1.00 0.00 O ATOM 0 H GLY A 20 2.653 -4.957 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.876 -3.895 8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.456 -4.072 7.746 1.00 0.00 H new ATOM 260 N VAL A 21 1.662 -2.590 10.450 1.00 0.00 N ATOM 261 CA VAL A 21 1.117 -1.383 11.046 1.00 0.00 C ATOM 262 C VAL A 21 2.090 -0.224 10.821 1.00 0.00 C ATOM 263 O VAL A 21 1.822 0.669 10.019 1.00 0.00 O ATOM 264 CB VAL A 21 0.806 -1.623 12.525 1.00 0.00 C ATOM 265 CG1 VAL A 21 -0.615 -2.163 12.706 1.00 0.00 C ATOM 266 CG2 VAL A 21 1.834 -2.565 13.155 1.00 0.00 C ATOM 0 H VAL A 21 1.541 -3.434 11.009 1.00 0.00 H new ATOM 0 HA VAL A 21 0.175 -1.114 10.569 1.00 0.00 H new ATOM 0 HB VAL A 21 0.869 -0.665 13.040 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.810 -2.325 13.766 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.331 -1.442 12.311 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.717 -3.107 12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.590 -2.719 14.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.817 -3.523 12.634 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.828 -2.125 13.074 1.00 0.00 H new ATOM 276 N VAL A 22 3.199 -0.275 11.544 1.00 0.00 N ATOM 277 CA VAL A 22 4.213 0.759 11.434 1.00 0.00 C ATOM 278 C VAL A 22 4.412 1.117 9.959 1.00 0.00 C ATOM 279 O VAL A 22 4.568 2.288 9.617 1.00 0.00 O ATOM 280 CB VAL A 22 5.504 0.302 12.117 1.00 0.00 C ATOM 281 CG1 VAL A 22 6.648 1.278 11.836 1.00 0.00 C ATOM 282 CG2 VAL A 22 5.293 0.123 13.622 1.00 0.00 C ATOM 0 H VAL A 22 3.417 -1.017 12.209 1.00 0.00 H new ATOM 0 HA VAL A 22 3.892 1.665 11.949 1.00 0.00 H new ATOM 0 HB VAL A 22 5.780 -0.666 11.699 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.554 0.930 12.333 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.822 1.335 10.762 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.384 2.266 12.213 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.225 -0.202 14.084 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.982 1.071 14.061 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.522 -0.627 13.795 1.00 0.00 H new ATOM 292 N ALA A 23 4.399 0.087 9.127 1.00 0.00 N ATOM 293 CA ALA A 23 4.576 0.278 7.697 1.00 0.00 C ATOM 294 C ALA A 23 3.592 1.340 7.203 1.00 0.00 C ATOM 295 O ALA A 23 3.994 2.323 6.582 1.00 0.00 O ATOM 296 CB ALA A 23 4.399 -1.061 6.977 1.00 0.00 C ATOM 0 H ALA A 23 4.269 -0.883 9.415 1.00 0.00 H new ATOM 0 HA ALA A 23 5.583 0.635 7.479 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.532 -0.918 5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.140 -1.772 7.343 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.399 -1.449 7.170 1.00 0.00 H new ATOM 302 N VAL A 24 2.321 1.106 7.498 1.00 0.00 N ATOM 303 CA VAL A 24 1.277 2.031 7.092 1.00 0.00 C ATOM 304 C VAL A 24 1.492 3.376 7.789 1.00 0.00 C ATOM 305 O VAL A 24 1.033 4.410 7.307 1.00 0.00 O ATOM 306 CB VAL A 24 -0.099 1.424 7.376 1.00 0.00 C ATOM 307 CG1 VAL A 24 -0.103 -0.080 7.094 1.00 0.00 C ATOM 308 CG2 VAL A 24 -0.540 1.714 8.811 1.00 0.00 C ATOM 0 H VAL A 24 1.991 0.290 8.013 1.00 0.00 H new ATOM 0 HA VAL A 24 1.324 2.211 6.018 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.818 1.893 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.092 -0.487 7.304 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.147 -0.255 6.047 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.634 -0.571 7.730 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.521 1.272 8.987 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.181 1.285 9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.595 2.792 8.964 1.00 0.00 H new ATOM 318 N GLY A 25 2.192 3.318 8.913 1.00 0.00 N ATOM 319 CA GLY A 25 2.474 4.518 9.681 1.00 0.00 C ATOM 320 C GLY A 25 3.504 5.397 8.968 1.00 0.00 C ATOM 321 O GLY A 25 3.288 6.595 8.793 1.00 0.00 O ATOM 0 H GLY A 25 2.572 2.459 9.310 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.553 5.081 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.846 4.243 10.668 1.00 0.00 H new ATOM 325 N THR A 26 4.601 4.766 8.575 1.00 0.00 N ATOM 326 CA THR A 26 5.665 5.475 7.884 1.00 0.00 C ATOM 327 C THR A 26 5.152 6.051 6.563 1.00 0.00 C ATOM 328 O THR A 26 5.320 7.239 6.292 1.00 0.00 O ATOM 329 CB THR A 26 6.841 4.512 7.712 1.00 0.00 C ATOM 330 OG1 THR A 26 7.337 4.330 9.035 1.00 0.00 O ATOM 331 CG2 THR A 26 8.011 5.146 6.958 1.00 0.00 C ATOM 0 H THR A 26 4.776 3.772 8.722 1.00 0.00 H new ATOM 0 HA THR A 26 6.010 6.332 8.463 1.00 0.00 H new ATOM 0 HB THR A 26 6.506 3.622 7.179 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.101 3.717 9.016 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.819 4.420 6.863 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.681 5.453 5.966 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.368 6.017 7.507 1.00 0.00 H new ATOM 339 N VAL A 27 4.536 5.182 5.775 1.00 0.00 N ATOM 340 CA VAL A 27 3.997 5.588 4.488 1.00 0.00 C ATOM 341 C VAL A 27 3.022 6.749 4.693 1.00 0.00 C ATOM 342 O VAL A 27 3.117 7.771 4.015 1.00 0.00 O ATOM 343 CB VAL A 27 3.360 4.389 3.785 1.00 0.00 C ATOM 344 CG1 VAL A 27 2.119 3.907 4.539 1.00 0.00 C ATOM 345 CG2 VAL A 27 3.022 4.722 2.330 1.00 0.00 C ATOM 0 H VAL A 27 4.398 4.197 6.003 1.00 0.00 H new ATOM 0 HA VAL A 27 4.794 5.944 3.835 1.00 0.00 H new ATOM 0 HB VAL A 27 4.087 3.577 3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.685 3.054 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.400 3.611 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.387 4.713 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.570 3.852 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.321 5.556 2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.933 4.995 1.798 1.00 0.00 H new ATOM 355 N LEU A 28 2.106 6.553 5.630 1.00 0.00 N ATOM 356 CA LEU A 28 1.114 7.571 5.932 1.00 0.00 C ATOM 357 C LEU A 28 1.824 8.875 6.300 1.00 0.00 C ATOM 358 O LEU A 28 1.389 9.956 5.904 1.00 0.00 O ATOM 359 CB LEU A 28 0.146 7.073 7.007 1.00 0.00 C ATOM 360 CG LEU A 28 -1.046 7.983 7.310 1.00 0.00 C ATOM 361 CD1 LEU A 28 -2.310 7.162 7.573 1.00 0.00 C ATOM 362 CD2 LEU A 28 -0.730 8.935 8.465 1.00 0.00 C ATOM 0 H LEU A 28 2.030 5.704 6.190 1.00 0.00 H new ATOM 0 HA LEU A 28 0.501 7.778 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.235 6.098 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.706 6.922 7.930 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.239 8.597 6.430 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.142 7.833 7.786 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.544 6.562 6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.146 6.505 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.594 9.570 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.496 8.357 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.125 9.557 8.200 1.00 0.00 H new ATOM 374 N VAL A 29 2.905 8.731 7.052 1.00 0.00 N ATOM 375 CA VAL A 29 3.679 9.885 7.478 1.00 0.00 C ATOM 376 C VAL A 29 4.224 10.611 6.246 1.00 0.00 C ATOM 377 O VAL A 29 4.265 11.840 6.213 1.00 0.00 O ATOM 378 CB VAL A 29 4.778 9.448 8.449 1.00 0.00 C ATOM 379 CG1 VAL A 29 5.748 10.597 8.731 1.00 0.00 C ATOM 380 CG2 VAL A 29 4.177 8.906 9.748 1.00 0.00 C ATOM 0 H VAL A 29 3.263 7.833 7.377 1.00 0.00 H new ATOM 0 HA VAL A 29 3.048 10.590 8.018 1.00 0.00 H new ATOM 0 HB VAL A 29 5.341 8.642 7.978 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.519 10.260 9.424 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.213 10.918 7.799 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.204 11.432 9.172 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.979 8.602 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.579 9.683 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.545 8.046 9.526 1.00 0.00 H new ATOM 390 N ALA A 30 4.628 9.820 5.264 1.00 0.00 N ATOM 391 CA ALA A 30 5.169 10.372 4.033 1.00 0.00 C ATOM 392 C ALA A 30 4.042 11.036 3.239 1.00 0.00 C ATOM 393 O ALA A 30 4.274 12.004 2.516 1.00 0.00 O ATOM 394 CB ALA A 30 5.867 9.265 3.240 1.00 0.00 C ATOM 0 H ALA A 30 4.592 8.801 5.295 1.00 0.00 H new ATOM 0 HA ALA A 30 5.915 11.137 4.250 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.273 9.679 2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.677 8.846 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.149 8.481 3.001 1.00 0.00 H new ATOM 400 N LEU A 31 2.846 10.489 3.400 1.00 0.00 N ATOM 401 CA LEU A 31 1.683 11.016 2.707 1.00 0.00 C ATOM 402 C LEU A 31 1.326 12.385 3.288 1.00 0.00 C ATOM 403 O LEU A 31 0.907 13.283 2.559 1.00 0.00 O ATOM 404 CB LEU A 31 0.531 10.010 2.751 1.00 0.00 C ATOM 405 CG LEU A 31 -0.072 9.622 1.399 1.00 0.00 C ATOM 406 CD1 LEU A 31 -0.659 8.210 1.446 1.00 0.00 C ATOM 407 CD2 LEU A 31 -1.103 10.656 0.942 1.00 0.00 C ATOM 0 H LEU A 31 2.657 9.686 4.000 1.00 0.00 H new ATOM 0 HA LEU A 31 1.905 11.165 1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.885 9.104 3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.262 10.422 3.375 1.00 0.00 H new ATOM 0 HG LEU A 31 0.727 9.614 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.081 7.959 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.127 7.497 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.442 8.166 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.516 10.357 -0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.905 10.719 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.623 11.630 0.844 1.00 0.00 H new ATOM 419 N SER A 32 1.504 12.502 4.596 1.00 0.00 N ATOM 420 CA SER A 32 1.206 13.747 5.284 1.00 0.00 C ATOM 421 C SER A 32 2.369 14.727 5.120 1.00 0.00 C ATOM 422 O SER A 32 2.265 15.702 4.377 1.00 0.00 O ATOM 423 CB SER A 32 0.923 13.502 6.767 1.00 0.00 C ATOM 424 OG SER A 32 0.507 14.691 7.434 1.00 0.00 O ATOM 0 H SER A 32 1.851 11.755 5.198 1.00 0.00 H new ATOM 0 HA SER A 32 0.310 14.179 4.837 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.150 12.740 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.820 13.111 7.248 1.00 0.00 H new ATOM 0 HG SER A 32 0.334 14.493 8.378 1.00 0.00 H new ATOM 430 N ALA A 33 3.451 14.435 5.827 1.00 0.00 N ATOM 431 CA ALA A 33 4.633 15.279 5.770 1.00 0.00 C ATOM 432 C ALA A 33 5.163 15.309 4.335 1.00 0.00 C ATOM 433 O ALA A 33 4.460 14.926 3.401 1.00 0.00 O ATOM 434 CB ALA A 33 5.675 14.766 6.766 1.00 0.00 C ATOM 0 H ALA A 33 3.534 13.626 6.442 1.00 0.00 H new ATOM 0 HA ALA A 33 4.388 16.303 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.561 15.399 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.259 14.791 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.948 13.742 6.512 1.00 0.00 H new ATOM 440 N MET A 34 6.399 15.768 4.204 1.00 0.00 N ATOM 441 CA MET A 34 7.032 15.853 2.899 1.00 0.00 C ATOM 442 C MET A 34 6.383 16.945 2.046 1.00 0.00 C ATOM 443 O MET A 34 6.348 16.841 0.820 1.00 0.00 O ATOM 444 CB MET A 34 6.911 14.506 2.184 1.00 0.00 C ATOM 445 CG MET A 34 8.284 13.856 2.003 1.00 0.00 C ATOM 446 SD MET A 34 8.097 12.207 1.345 1.00 0.00 S ATOM 447 CE MET A 34 9.678 11.512 1.796 1.00 0.00 C ATOM 0 H MET A 34 6.979 16.085 4.981 1.00 0.00 H new ATOM 0 HA MET A 34 8.083 16.105 3.041 1.00 0.00 H new ATOM 0 HB2 MET A 34 6.263 13.843 2.757 1.00 0.00 H new ATOM 0 HB3 MET A 34 6.441 14.648 1.211 1.00 0.00 H new ATOM 0 HG2 MET A 34 8.895 14.458 1.330 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.806 13.818 2.959 1.00 0.00 H new ATOM 0 HE1 MET A 34 9.730 10.477 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.476 12.088 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.795 11.546 2.879 1.00 0.00 H new ATOM 457 N GLY A 35 5.886 17.967 2.727 1.00 0.00 N ATOM 458 CA GLY A 35 5.241 19.076 2.046 1.00 0.00 C ATOM 459 C GLY A 35 4.422 19.919 3.026 1.00 0.00 C ATOM 460 O GLY A 35 4.784 21.055 3.327 1.00 0.00 O ATOM 0 H GLY A 35 5.917 18.050 3.743 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.994 19.700 1.565 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.592 18.695 1.257 1.00 0.00 H new ATOM 464 N PHE A 36 3.333 19.329 3.497 1.00 0.00 N ATOM 465 CA PHE A 36 2.459 20.011 4.437 1.00 0.00 C ATOM 466 C PHE A 36 1.845 19.023 5.431 1.00 0.00 C ATOM 467 O PHE A 36 0.913 18.295 5.093 1.00 0.00 O ATOM 468 CB PHE A 36 1.339 20.656 3.619 1.00 0.00 C ATOM 469 CG PHE A 36 1.184 22.160 3.853 1.00 0.00 C ATOM 470 CD1 PHE A 36 2.125 23.021 3.381 1.00 0.00 C ATOM 471 CD2 PHE A 36 0.106 22.635 4.532 1.00 0.00 C ATOM 472 CE1 PHE A 36 1.981 24.417 3.598 1.00 0.00 C ATOM 473 CE2 PHE A 36 -0.037 24.031 4.749 1.00 0.00 C ATOM 474 CZ PHE A 36 0.904 24.893 4.278 1.00 0.00 C ATOM 0 H PHE A 36 3.036 18.386 3.245 1.00 0.00 H new ATOM 0 HA PHE A 36 3.026 20.750 5.004 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.530 20.481 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.397 20.162 3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.981 22.643 2.842 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.641 21.951 4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.728 25.101 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.893 24.409 5.288 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.796 25.955 4.444 1.00 0.00 H new ATOM 484 N THR A 37 2.393 19.029 6.637 1.00 0.00 N ATOM 485 CA THR A 37 1.910 18.142 7.683 1.00 0.00 C ATOM 486 C THR A 37 0.439 18.429 7.989 1.00 0.00 C ATOM 487 O THR A 37 -0.163 19.315 7.384 1.00 0.00 O ATOM 488 CB THR A 37 2.826 18.302 8.898 1.00 0.00 C ATOM 489 OG1 THR A 37 2.540 19.613 9.378 1.00 0.00 O ATOM 490 CG2 THR A 37 4.306 18.361 8.512 1.00 0.00 C ATOM 0 H THR A 37 3.167 19.634 6.914 1.00 0.00 H new ATOM 0 HA THR A 37 1.946 17.100 7.366 1.00 0.00 H new ATOM 0 HB THR A 37 2.663 17.473 9.587 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.090 19.800 10.167 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.912 18.475 9.411 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.586 17.440 8.000 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.476 19.210 7.850 1.00 0.00 H new ATOM 498 N SER A 38 -0.097 17.663 8.927 1.00 0.00 N ATOM 499 CA SER A 38 -1.487 17.824 9.321 1.00 0.00 C ATOM 500 C SER A 38 -1.571 18.591 10.642 1.00 0.00 C ATOM 501 O SER A 38 -1.871 19.784 10.654 1.00 0.00 O ATOM 502 CB SER A 38 -2.184 16.468 9.449 1.00 0.00 C ATOM 503 OG SER A 38 -3.170 16.278 8.438 1.00 0.00 O ATOM 0 H SER A 38 0.406 16.929 9.426 1.00 0.00 H new ATOM 0 HA SER A 38 -1.999 18.393 8.545 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.442 15.672 9.387 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.652 16.392 10.431 1.00 0.00 H new ATOM 0 HG SER A 38 -3.591 15.401 8.553 1.00 0.00 H new ATOM 509 N VAL A 39 -1.300 17.874 11.723 1.00 0.00 N ATOM 510 CA VAL A 39 -1.342 18.472 13.047 1.00 0.00 C ATOM 511 C VAL A 39 -2.441 19.535 13.088 1.00 0.00 C ATOM 512 O VAL A 39 -3.614 19.229 12.878 1.00 0.00 O ATOM 513 CB VAL A 39 0.037 19.024 13.416 1.00 0.00 C ATOM 514 CG1 VAL A 39 0.061 19.517 14.864 1.00 0.00 C ATOM 515 CG2 VAL A 39 1.128 17.979 13.174 1.00 0.00 C ATOM 0 H VAL A 39 -1.051 16.885 11.709 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.589 17.721 13.797 1.00 0.00 H new ATOM 0 HB VAL A 39 0.241 19.877 12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.052 19.904 15.100 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.677 20.309 14.991 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.175 18.690 15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.098 18.396 13.444 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.930 17.098 13.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.135 17.697 12.121 1.00 0.00 H new ATOM 525 N GLY A 40 -2.023 20.763 13.359 1.00 0.00 N ATOM 526 CA GLY A 40 -2.958 21.873 13.429 1.00 0.00 C ATOM 527 C GLY A 40 -3.980 21.803 12.293 1.00 0.00 C ATOM 528 O GLY A 40 -5.186 21.789 12.538 1.00 0.00 O ATOM 0 H GLY A 40 -1.050 21.013 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.474 21.858 14.389 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.413 22.816 13.375 1.00 0.00 H new ATOM 532 N ILE A 41 -3.461 21.759 11.075 1.00 0.00 N ATOM 533 CA ILE A 41 -4.314 21.690 9.900 1.00 0.00 C ATOM 534 C ILE A 41 -5.329 20.559 10.078 1.00 0.00 C ATOM 535 O ILE A 41 -6.511 20.731 9.787 1.00 0.00 O ATOM 536 CB ILE A 41 -3.468 21.564 8.631 1.00 0.00 C ATOM 537 CG1 ILE A 41 -2.548 22.775 8.463 1.00 0.00 C ATOM 538 CG2 ILE A 41 -4.353 21.341 7.403 1.00 0.00 C ATOM 539 CD1 ILE A 41 -1.293 22.404 7.670 1.00 0.00 C ATOM 0 H ILE A 41 -2.461 21.770 10.876 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.882 22.613 9.786 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.829 20.686 8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.083 23.575 7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.263 23.159 9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.727 21.255 6.515 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.929 20.425 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.034 22.184 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.656 23.282 7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.748 21.621 8.197 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.580 22.044 6.682 1.00 0.00 H new ATOM 551 N ALA A 42 -4.829 19.428 10.554 1.00 0.00 N ATOM 552 CA ALA A 42 -5.678 18.269 10.773 1.00 0.00 C ATOM 553 C ALA A 42 -6.822 18.651 11.714 1.00 0.00 C ATOM 554 O ALA A 42 -7.956 18.213 11.528 1.00 0.00 O ATOM 555 CB ALA A 42 -4.834 17.115 11.319 1.00 0.00 C ATOM 0 H ALA A 42 -3.847 19.290 10.794 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.121 17.934 9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.470 16.245 11.484 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.054 16.863 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.376 17.413 12.262 1.00 0.00 H new ATOM 561 N ALA A 43 -6.485 19.465 12.705 1.00 0.00 N ATOM 562 CA ALA A 43 -7.470 19.911 13.675 1.00 0.00 C ATOM 563 C ALA A 43 -8.439 20.884 13.001 1.00 0.00 C ATOM 564 O ALA A 43 -9.594 20.998 13.409 1.00 0.00 O ATOM 565 CB ALA A 43 -6.757 20.536 14.876 1.00 0.00 C ATOM 0 H ALA A 43 -5.543 19.827 12.856 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.054 19.068 14.045 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.496 20.871 15.604 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.103 19.795 15.337 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.163 21.388 14.544 1.00 0.00 H new ATOM 571 N SER A 44 -7.933 21.561 11.981 1.00 0.00 N ATOM 572 CA SER A 44 -8.740 22.521 11.246 1.00 0.00 C ATOM 573 C SER A 44 -9.791 21.790 10.410 1.00 0.00 C ATOM 574 O SER A 44 -10.940 22.222 10.334 1.00 0.00 O ATOM 575 CB SER A 44 -7.867 23.402 10.350 1.00 0.00 C ATOM 576 OG SER A 44 -7.524 24.633 10.982 1.00 0.00 O ATOM 0 H SER A 44 -6.975 21.464 11.646 1.00 0.00 H new ATOM 0 HA SER A 44 -9.243 23.167 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.957 22.863 10.088 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.395 23.607 9.419 1.00 0.00 H new ATOM 0 HG SER A 44 -6.965 25.166 10.379 1.00 0.00 H new ATOM 582 N SER A 45 -9.360 20.694 9.802 1.00 0.00 N ATOM 583 CA SER A 45 -10.250 19.899 8.973 1.00 0.00 C ATOM 584 C SER A 45 -11.325 19.242 9.841 1.00 0.00 C ATOM 585 O SER A 45 -12.516 19.358 9.555 1.00 0.00 O ATOM 586 CB SER A 45 -9.474 18.835 8.195 1.00 0.00 C ATOM 587 OG SER A 45 -10.075 18.550 6.935 1.00 0.00 O ATOM 0 H SER A 45 -8.406 20.338 9.867 1.00 0.00 H new ATOM 0 HA SER A 45 -10.728 20.562 8.252 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.450 19.175 8.040 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.420 17.921 8.786 1.00 0.00 H new ATOM 0 HG SER A 45 -9.549 17.867 6.469 1.00 0.00 H new ATOM 593 N ILE A 46 -10.867 18.566 10.885 1.00 0.00 N ATOM 594 CA ILE A 46 -11.775 17.891 11.797 1.00 0.00 C ATOM 595 C ILE A 46 -12.672 18.927 12.477 1.00 0.00 C ATOM 596 O ILE A 46 -13.861 18.686 12.681 1.00 0.00 O ATOM 597 CB ILE A 46 -10.995 17.014 12.778 1.00 0.00 C ATOM 598 CG1 ILE A 46 -11.940 16.129 13.593 1.00 0.00 C ATOM 599 CG2 ILE A 46 -10.090 17.864 13.673 1.00 0.00 C ATOM 600 CD1 ILE A 46 -11.520 14.660 13.514 1.00 0.00 C ATOM 0 H ILE A 46 -9.879 18.471 11.119 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.430 17.213 11.250 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.348 16.351 12.204 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -11.942 16.455 14.633 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -12.959 16.240 13.222 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.547 17.216 14.361 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.380 18.414 13.055 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.698 18.568 14.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -12.208 14.053 14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.542 14.331 12.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.510 14.549 13.909 1.00 0.00 H new ATOM 612 N ALA A 47 -12.068 20.059 12.810 1.00 0.00 N ATOM 613 CA ALA A 47 -12.797 21.132 13.463 1.00 0.00 C ATOM 614 C ALA A 47 -13.923 21.610 12.545 1.00 0.00 C ATOM 615 O ALA A 47 -15.028 21.891 13.006 1.00 0.00 O ATOM 616 CB ALA A 47 -11.828 22.257 13.831 1.00 0.00 C ATOM 0 H ALA A 47 -11.082 20.256 12.639 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.253 20.779 14.388 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.375 23.062 14.321 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -11.064 21.873 14.507 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.353 22.638 12.927 1.00 0.00 H new ATOM 622 N ALA A 48 -13.604 21.688 11.261 1.00 0.00 N ATOM 623 CA ALA A 48 -14.576 22.127 10.274 1.00 0.00 C ATOM 624 C ALA A 48 -15.555 20.987 9.986 1.00 0.00 C ATOM 625 O ALA A 48 -16.730 21.069 10.343 1.00 0.00 O ATOM 626 CB ALA A 48 -13.846 22.600 9.015 1.00 0.00 C ATOM 0 H ALA A 48 -12.686 21.455 10.882 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.154 22.970 10.653 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.574 22.929 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.185 23.429 9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.258 21.779 8.605 1.00 0.00 H new ATOM 632 N LYS A 49 -15.036 19.951 9.344 1.00 0.00 N ATOM 633 CA LYS A 49 -15.850 18.797 9.005 1.00 0.00 C ATOM 634 C LYS A 49 -17.187 19.271 8.433 1.00 0.00 C ATOM 635 O LYS A 49 -18.215 19.200 9.106 1.00 0.00 O ATOM 636 CB LYS A 49 -15.992 17.868 10.212 1.00 0.00 C ATOM 637 CG LYS A 49 -16.465 16.478 9.782 1.00 0.00 C ATOM 638 CD LYS A 49 -15.275 15.556 9.504 1.00 0.00 C ATOM 639 CE LYS A 49 -15.479 14.775 8.204 1.00 0.00 C ATOM 640 NZ LYS A 49 -14.593 13.591 8.167 1.00 0.00 N ATOM 0 H LYS A 49 -14.061 19.887 9.050 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.365 18.203 8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -15.035 17.787 10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.701 18.294 10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.091 16.045 10.563 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.083 16.560 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.361 16.146 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.147 14.861 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -16.519 14.461 8.121 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.271 15.419 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -14.744 13.072 7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.601 13.898 8.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.810 12.969 8.972 1.00 0.00 H new ATOM 654 N MET A 50 -17.132 19.745 7.197 1.00 0.00 N ATOM 655 CA MET A 50 -18.326 20.231 6.527 1.00 0.00 C ATOM 656 C MET A 50 -17.986 20.810 5.152 1.00 0.00 C ATOM 657 O MET A 50 -16.836 21.158 4.888 1.00 0.00 O ATOM 658 CB MET A 50 -18.990 21.310 7.386 1.00 0.00 C ATOM 659 CG MET A 50 -20.492 21.056 7.520 1.00 0.00 C ATOM 660 SD MET A 50 -20.874 20.506 9.174 1.00 0.00 S ATOM 661 CE MET A 50 -20.891 22.075 10.026 1.00 0.00 C ATOM 0 H MET A 50 -16.278 19.803 6.642 1.00 0.00 H new ATOM 0 HA MET A 50 -19.009 19.393 6.388 1.00 0.00 H new ATOM 0 HB2 MET A 50 -18.531 21.327 8.374 1.00 0.00 H new ATOM 0 HB3 MET A 50 -18.822 22.290 6.940 1.00 0.00 H new ATOM 0 HG2 MET A 50 -21.045 21.968 7.295 1.00 0.00 H new ATOM 0 HG3 MET A 50 -20.808 20.305 6.796 1.00 0.00 H new ATOM 0 HE1 MET A 50 -21.116 21.914 11.080 1.00 0.00 H new ATOM 0 HE2 MET A 50 -19.915 22.551 9.932 1.00 0.00 H new ATOM 0 HE3 MET A 50 -21.653 22.719 9.587 1.00 0.00 H new ATOM 671 N MET A 51 -19.007 20.895 4.313 1.00 0.00 N ATOM 672 CA MET A 51 -18.832 21.426 2.972 1.00 0.00 C ATOM 673 C MET A 51 -17.742 20.660 2.218 1.00 0.00 C ATOM 674 O MET A 51 -16.557 20.812 2.509 1.00 0.00 O ATOM 675 CB MET A 51 -18.452 22.906 3.054 1.00 0.00 C ATOM 676 CG MET A 51 -19.516 23.782 2.390 1.00 0.00 C ATOM 677 SD MET A 51 -18.843 24.558 0.930 1.00 0.00 S ATOM 678 CE MET A 51 -20.303 25.382 0.316 1.00 0.00 C ATOM 0 H MET A 51 -19.959 20.605 4.536 1.00 0.00 H new ATOM 0 HA MET A 51 -19.771 21.313 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 51 -18.335 23.198 4.098 1.00 0.00 H new ATOM 0 HB3 MET A 51 -17.489 23.066 2.568 1.00 0.00 H new ATOM 0 HG2 MET A 51 -20.383 23.177 2.124 1.00 0.00 H new ATOM 0 HG3 MET A 51 -19.861 24.543 3.090 1.00 0.00 H new ATOM 0 HE1 MET A 51 -20.059 25.920 -0.600 1.00 0.00 H new ATOM 0 HE2 MET A 51 -21.077 24.644 0.108 1.00 0.00 H new ATOM 0 HE3 MET A 51 -20.665 26.086 1.065 1.00 0.00 H new ATOM 688 N SER A 52 -18.183 19.855 1.263 1.00 0.00 N ATOM 689 CA SER A 52 -17.261 19.065 0.464 1.00 0.00 C ATOM 690 C SER A 52 -17.166 19.643 -0.949 1.00 0.00 C ATOM 691 O SER A 52 -17.940 19.269 -1.829 1.00 0.00 O ATOM 692 CB SER A 52 -17.695 17.599 0.411 1.00 0.00 C ATOM 693 OG SER A 52 -18.917 17.430 -0.302 1.00 0.00 O ATOM 0 H SER A 52 -19.167 19.732 1.024 1.00 0.00 H new ATOM 0 HA SER A 52 -16.278 19.107 0.933 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.913 17.006 -0.064 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.812 17.218 1.426 1.00 0.00 H new ATOM 0 HG SER A 52 -18.897 17.971 -1.119 1.00 0.00 H new ATOM 699 N THR A 53 -16.210 20.544 -1.123 1.00 0.00 N ATOM 700 CA THR A 53 -16.004 21.176 -2.415 1.00 0.00 C ATOM 701 C THR A 53 -16.042 20.132 -3.532 1.00 0.00 C ATOM 702 O THR A 53 -15.691 18.973 -3.316 1.00 0.00 O ATOM 703 CB THR A 53 -14.688 21.954 -2.356 1.00 0.00 C ATOM 704 OG1 THR A 53 -14.639 22.649 -3.599 1.00 0.00 O ATOM 705 CG2 THR A 53 -13.463 21.037 -2.392 1.00 0.00 C ATOM 0 H THR A 53 -15.570 20.851 -0.391 1.00 0.00 H new ATOM 0 HA THR A 53 -16.805 21.879 -2.643 1.00 0.00 H new ATOM 0 HB THR A 53 -14.663 22.556 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 53 -13.817 23.181 -3.644 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.556 21.640 -2.348 1.00 0.00 H new ATOM 0 HG22 THR A 53 -13.491 20.359 -1.539 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.469 20.458 -3.315 1.00 0.00 H new ATOM 713 N ALA A 54 -16.473 20.580 -4.703 1.00 0.00 N ATOM 714 CA ALA A 54 -16.562 19.698 -5.854 1.00 0.00 C ATOM 715 C ALA A 54 -15.152 19.362 -6.344 1.00 0.00 C ATOM 716 O ALA A 54 -14.329 20.256 -6.539 1.00 0.00 O ATOM 717 CB ALA A 54 -17.414 20.360 -6.939 1.00 0.00 C ATOM 0 H ALA A 54 -16.764 21.542 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.049 18.761 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.481 19.699 -7.803 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -18.414 20.551 -6.550 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -16.955 21.302 -7.238 1.00 0.00 H new ATOM 723 N ALA A 55 -14.916 18.072 -6.530 1.00 0.00 N ATOM 724 CA ALA A 55 -13.620 17.607 -6.993 1.00 0.00 C ATOM 725 C ALA A 55 -13.668 17.403 -8.509 1.00 0.00 C ATOM 726 O ALA A 55 -14.694 16.996 -9.052 1.00 0.00 O ATOM 727 CB ALA A 55 -13.238 16.328 -6.245 1.00 0.00 C ATOM 0 H ALA A 55 -15.601 17.334 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.850 18.349 -6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.266 15.980 -6.593 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.189 16.533 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.987 15.559 -6.433 1.00 0.00 H new ATOM 733 N ILE A 56 -12.545 17.696 -9.149 1.00 0.00 N ATOM 734 CA ILE A 56 -12.447 17.550 -10.591 1.00 0.00 C ATOM 735 C ILE A 56 -12.278 16.070 -10.939 1.00 0.00 C ATOM 736 O ILE A 56 -11.444 15.381 -10.353 1.00 0.00 O ATOM 737 CB ILE A 56 -11.334 18.443 -11.145 1.00 0.00 C ATOM 738 CG1 ILE A 56 -11.684 18.948 -12.546 1.00 0.00 C ATOM 739 CG2 ILE A 56 -9.986 17.720 -11.116 1.00 0.00 C ATOM 740 CD1 ILE A 56 -11.784 17.788 -13.539 1.00 0.00 C ATOM 0 H ILE A 56 -11.696 18.034 -8.695 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.365 17.888 -11.072 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.244 19.317 -10.501 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.630 19.488 -12.516 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -10.925 19.654 -12.882 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -9.212 18.376 -11.515 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -9.739 17.451 -10.089 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.044 16.817 -11.724 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.034 18.175 -14.527 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.829 17.265 -13.585 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -12.561 17.096 -13.213 1.00 0.00 H new ATOM 752 N ALA A 57 -13.082 15.624 -11.893 1.00 0.00 N ATOM 753 CA ALA A 57 -13.033 14.238 -12.326 1.00 0.00 C ATOM 754 C ALA A 57 -13.331 13.324 -11.136 1.00 0.00 C ATOM 755 O ALA A 57 -12.435 13.002 -10.357 1.00 0.00 O ATOM 756 CB ALA A 57 -11.668 13.948 -12.956 1.00 0.00 C ATOM 0 H ALA A 57 -13.771 16.198 -12.378 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.791 14.047 -13.086 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.631 12.908 -13.281 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.517 14.602 -13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -10.883 14.127 -12.221 1.00 0.00 H new ATOM 762 N ASN A 58 -14.592 12.933 -11.032 1.00 0.00 N ATOM 763 CA ASN A 58 -15.020 12.063 -9.949 1.00 0.00 C ATOM 764 C ASN A 58 -14.818 12.782 -8.614 1.00 0.00 C ATOM 765 O ASN A 58 -13.687 12.963 -8.167 1.00 0.00 O ATOM 766 CB ASN A 58 -14.197 10.774 -9.921 1.00 0.00 C ATOM 767 CG ASN A 58 -15.100 9.544 -10.035 1.00 0.00 C ATOM 768 OD1 ASN A 58 -16.288 9.587 -9.759 1.00 0.00 O ATOM 769 ND2 ASN A 58 -14.473 8.449 -10.455 1.00 0.00 N ATOM 0 H ASN A 58 -15.332 13.203 -11.680 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.070 11.817 -10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.479 10.779 -10.741 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.624 10.724 -8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.989 7.576 -10.563 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.476 8.482 -10.669 1.00 0.00 H new ATOM 776 N GLY A 59 -15.933 13.172 -8.014 1.00 0.00 N ATOM 777 CA GLY A 59 -15.893 13.867 -6.739 1.00 0.00 C ATOM 778 C GLY A 59 -16.900 13.267 -5.755 1.00 0.00 C ATOM 779 O GLY A 59 -17.313 12.118 -5.908 1.00 0.00 O ATOM 0 H GLY A 59 -16.870 13.020 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.889 13.807 -6.319 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.112 14.924 -6.890 1.00 0.00 H new ATOM 783 N GLY A 60 -17.266 14.070 -4.768 1.00 0.00 N ATOM 784 CA GLY A 60 -18.217 13.633 -3.760 1.00 0.00 C ATOM 785 C GLY A 60 -17.903 12.210 -3.292 1.00 0.00 C ATOM 786 O GLY A 60 -18.685 11.290 -3.526 1.00 0.00 O ATOM 0 H GLY A 60 -16.921 15.022 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.190 14.314 -2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -19.227 13.671 -4.167 1.00 0.00 H new ATOM 790 N GLY A 61 -16.758 12.075 -2.639 1.00 0.00 N ATOM 791 CA GLY A 61 -16.332 10.780 -2.136 1.00 0.00 C ATOM 792 C GLY A 61 -15.303 10.939 -1.015 1.00 0.00 C ATOM 793 O GLY A 61 -14.953 12.058 -0.643 1.00 0.00 O ATOM 0 H GLY A 61 -16.112 12.841 -2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.196 10.227 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -15.903 10.194 -2.948 1.00 0.00 H new ATOM 797 N VAL A 62 -14.847 9.802 -0.509 1.00 0.00 N ATOM 798 CA VAL A 62 -13.865 9.801 0.562 1.00 0.00 C ATOM 799 C VAL A 62 -12.479 10.077 -0.023 1.00 0.00 C ATOM 800 O VAL A 62 -11.838 11.066 0.330 1.00 0.00 O ATOM 801 CB VAL A 62 -13.936 8.483 1.336 1.00 0.00 C ATOM 802 CG1 VAL A 62 -12.759 8.352 2.304 1.00 0.00 C ATOM 803 CG2 VAL A 62 -15.270 8.351 2.073 1.00 0.00 C ATOM 0 H VAL A 62 -15.139 8.876 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.080 10.594 1.278 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.870 7.667 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.833 7.407 2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.824 8.379 1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.780 9.177 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -15.294 7.406 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -15.380 9.176 2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -16.088 8.377 1.353 1.00 0.00 H new ATOM 813 N ALA A 63 -12.056 9.186 -0.907 1.00 0.00 N ATOM 814 CA ALA A 63 -10.758 9.321 -1.544 1.00 0.00 C ATOM 815 C ALA A 63 -10.945 9.847 -2.969 1.00 0.00 C ATOM 816 O ALA A 63 -11.627 9.223 -3.780 1.00 0.00 O ATOM 817 CB ALA A 63 -10.030 7.976 -1.511 1.00 0.00 C ATOM 0 H ALA A 63 -12.590 8.367 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.140 10.040 -1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.056 8.078 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.895 7.661 -0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.620 7.230 -2.044 1.00 0.00 H new ATOM 823 N ALA A 64 -10.328 10.991 -3.229 1.00 0.00 N ATOM 824 CA ALA A 64 -10.419 11.608 -4.542 1.00 0.00 C ATOM 825 C ALA A 64 -9.487 12.819 -4.596 1.00 0.00 C ATOM 826 O ALA A 64 -9.370 13.562 -3.623 1.00 0.00 O ATOM 827 CB ALA A 64 -11.875 11.979 -4.832 1.00 0.00 C ATOM 0 H ALA A 64 -9.764 11.506 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.100 10.911 -5.317 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.943 12.442 -5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.491 11.080 -4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.229 12.680 -4.076 1.00 0.00 H new ATOM 833 N GLY A 65 -8.846 12.981 -5.744 1.00 0.00 N ATOM 834 CA GLY A 65 -7.927 14.090 -5.939 1.00 0.00 C ATOM 835 C GLY A 65 -6.522 13.586 -6.274 1.00 0.00 C ATOM 836 O GLY A 65 -6.325 12.393 -6.504 1.00 0.00 O ATOM 0 H GLY A 65 -8.945 12.363 -6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.289 14.730 -6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.892 14.701 -5.037 1.00 0.00 H new ATOM 840 N SER A 66 -5.581 14.519 -6.292 1.00 0.00 N ATOM 841 CA SER A 66 -4.201 14.184 -6.595 1.00 0.00 C ATOM 842 C SER A 66 -3.791 12.919 -5.839 1.00 0.00 C ATOM 843 O SER A 66 -2.940 12.161 -6.304 1.00 0.00 O ATOM 844 CB SER A 66 -3.263 15.340 -6.243 1.00 0.00 C ATOM 845 OG SER A 66 -2.362 15.640 -7.305 1.00 0.00 O ATOM 0 H SER A 66 -5.748 15.507 -6.101 1.00 0.00 H new ATOM 0 HA SER A 66 -4.122 14.001 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.853 16.226 -6.007 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.696 15.087 -5.347 1.00 0.00 H new ATOM 0 HG SER A 66 -1.782 16.384 -7.041 1.00 0.00 H new ATOM 851 N LEU A 67 -4.414 12.729 -4.685 1.00 0.00 N ATOM 852 CA LEU A 67 -4.125 11.568 -3.860 1.00 0.00 C ATOM 853 C LEU A 67 -4.236 10.302 -4.712 1.00 0.00 C ATOM 854 O LEU A 67 -3.299 9.508 -4.774 1.00 0.00 O ATOM 855 CB LEU A 67 -5.021 11.556 -2.620 1.00 0.00 C ATOM 856 CG LEU A 67 -4.337 11.903 -1.295 1.00 0.00 C ATOM 857 CD1 LEU A 67 -4.674 13.331 -0.862 1.00 0.00 C ATOM 858 CD2 LEU A 67 -4.686 10.878 -0.214 1.00 0.00 C ATOM 0 H LEU A 67 -5.118 13.360 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.102 11.611 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.838 12.260 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.467 10.566 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.258 11.859 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.176 13.552 0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.335 14.032 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.752 13.428 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.188 11.147 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.765 10.867 -0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.355 9.889 -0.530 1.00 0.00 H new ATOM 870 N VAL A 68 -5.390 10.153 -5.346 1.00 0.00 N ATOM 871 CA VAL A 68 -5.636 8.997 -6.190 1.00 0.00 C ATOM 872 C VAL A 68 -4.391 8.712 -7.032 1.00 0.00 C ATOM 873 O VAL A 68 -4.112 7.561 -7.366 1.00 0.00 O ATOM 874 CB VAL A 68 -6.891 9.224 -7.036 1.00 0.00 C ATOM 875 CG1 VAL A 68 -7.061 8.113 -8.074 1.00 0.00 C ATOM 876 CG2 VAL A 68 -8.134 9.344 -6.152 1.00 0.00 C ATOM 0 H VAL A 68 -6.165 10.814 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.826 8.113 -5.581 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.769 10.166 -7.571 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.960 8.299 -8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.194 8.096 -8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.151 7.152 -7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.012 9.505 -6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.262 8.427 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.016 10.186 -5.470 1.00 0.00 H new ATOM 886 N ALA A 69 -3.675 9.780 -7.352 1.00 0.00 N ATOM 887 CA ALA A 69 -2.466 9.659 -8.149 1.00 0.00 C ATOM 888 C ALA A 69 -1.490 8.713 -7.447 1.00 0.00 C ATOM 889 O ALA A 69 -1.062 7.715 -8.025 1.00 0.00 O ATOM 890 CB ALA A 69 -1.866 11.047 -8.382 1.00 0.00 C ATOM 0 H ALA A 69 -3.909 10.733 -7.074 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.693 9.234 -9.127 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.959 10.956 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.587 11.671 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.624 11.504 -7.423 1.00 0.00 H new ATOM 896 N ILE A 70 -1.165 9.060 -6.210 1.00 0.00 N ATOM 897 CA ILE A 70 -0.247 8.254 -5.423 1.00 0.00 C ATOM 898 C ILE A 70 -0.936 6.948 -5.024 1.00 0.00 C ATOM 899 O ILE A 70 -0.274 5.934 -4.806 1.00 0.00 O ATOM 900 CB ILE A 70 0.285 9.057 -4.234 1.00 0.00 C ATOM 901 CG1 ILE A 70 -0.681 8.988 -3.049 1.00 0.00 C ATOM 902 CG2 ILE A 70 0.594 10.499 -4.639 1.00 0.00 C ATOM 903 CD1 ILE A 70 -0.349 7.805 -2.138 1.00 0.00 C ATOM 0 H ILE A 70 -1.521 9.889 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 70 0.628 7.985 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 70 1.223 8.606 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.630 9.916 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.704 8.894 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.970 11.047 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.347 10.502 -5.427 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.315 10.977 -5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.051 7.780 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.425 6.877 -2.705 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.666 7.914 -1.755 1.00 0.00 H new ATOM 915 N LEU A 71 -2.257 7.014 -4.940 1.00 0.00 N ATOM 916 CA LEU A 71 -3.042 5.848 -4.572 1.00 0.00 C ATOM 917 C LEU A 71 -2.744 4.708 -5.547 1.00 0.00 C ATOM 918 O LEU A 71 -2.377 3.610 -5.131 1.00 0.00 O ATOM 919 CB LEU A 71 -4.527 6.209 -4.483 1.00 0.00 C ATOM 920 CG LEU A 71 -5.373 5.341 -3.550 1.00 0.00 C ATOM 921 CD1 LEU A 71 -5.682 6.077 -2.245 1.00 0.00 C ATOM 922 CD2 LEU A 71 -6.645 4.861 -4.252 1.00 0.00 C ATOM 0 H LEU A 71 -2.803 7.856 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.762 5.498 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.610 7.246 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.954 6.155 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.794 4.455 -3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.285 5.437 -1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.750 6.327 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.232 6.992 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.229 4.246 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.237 5.722 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.376 4.272 -5.129 1.00 0.00 H new ATOM 934 N GLN A 72 -2.913 5.007 -6.827 1.00 0.00 N ATOM 935 CA GLN A 72 -2.667 4.021 -7.865 1.00 0.00 C ATOM 936 C GLN A 72 -1.169 3.727 -7.973 1.00 0.00 C ATOM 937 O GLN A 72 -0.756 2.568 -7.939 1.00 0.00 O ATOM 938 CB GLN A 72 -3.232 4.486 -9.208 1.00 0.00 C ATOM 939 CG GLN A 72 -4.662 3.978 -9.407 1.00 0.00 C ATOM 940 CD GLN A 72 -5.367 4.749 -10.524 1.00 0.00 C ATOM 941 OE1 GLN A 72 -4.757 5.217 -11.472 1.00 0.00 O ATOM 942 NE2 GLN A 72 -6.683 4.856 -10.361 1.00 0.00 N ATOM 0 H GLN A 72 -3.217 5.919 -7.169 1.00 0.00 H new ATOM 0 HA GLN A 72 -3.180 3.099 -7.592 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.219 5.575 -9.254 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.598 4.125 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.644 2.915 -9.649 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.222 4.084 -8.478 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.131 4.441 -9.544 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.244 5.353 -11.053 1.00 0.00 H new ATOM 951 N SER A 73 -0.396 4.795 -8.099 1.00 0.00 N ATOM 952 CA SER A 73 1.047 4.666 -8.212 1.00 0.00 C ATOM 953 C SER A 73 1.580 3.763 -7.098 1.00 0.00 C ATOM 954 O SER A 73 2.004 2.637 -7.357 1.00 0.00 O ATOM 955 CB SER A 73 1.728 6.035 -8.157 1.00 0.00 C ATOM 956 OG SER A 73 2.259 6.418 -9.423 1.00 0.00 O ATOM 0 H SER A 73 -0.742 5.754 -8.125 1.00 0.00 H new ATOM 0 HA SER A 73 1.276 4.215 -9.178 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.010 6.784 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.530 6.012 -7.419 1.00 0.00 H new ATOM 0 HG SER A 73 2.684 7.298 -9.347 1.00 0.00 H new ATOM 962 N VAL A 74 1.541 4.290 -5.883 1.00 0.00 N ATOM 963 CA VAL A 74 2.015 3.545 -4.729 1.00 0.00 C ATOM 964 C VAL A 74 1.200 2.257 -4.589 1.00 0.00 C ATOM 965 O VAL A 74 1.696 1.258 -4.069 1.00 0.00 O ATOM 966 CB VAL A 74 1.961 4.426 -3.479 1.00 0.00 C ATOM 967 CG1 VAL A 74 2.415 5.853 -3.794 1.00 0.00 C ATOM 968 CG2 VAL A 74 0.560 4.419 -2.864 1.00 0.00 C ATOM 0 H VAL A 74 1.189 5.224 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 74 3.058 3.257 -4.862 1.00 0.00 H new ATOM 0 HB VAL A 74 2.651 4.010 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.367 6.458 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.440 5.835 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.762 6.283 -4.553 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.549 5.053 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.158 4.799 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.290 3.400 -2.585 1.00 0.00 H new ATOM 978 N GLY A 75 -0.036 2.323 -5.061 1.00 0.00 N ATOM 979 CA GLY A 75 -0.924 1.175 -4.994 1.00 0.00 C ATOM 980 C GLY A 75 -0.316 -0.031 -5.713 1.00 0.00 C ATOM 981 O GLY A 75 0.119 -0.987 -5.072 1.00 0.00 O ATOM 0 H GLY A 75 -0.443 3.153 -5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.119 0.922 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.884 1.426 -5.445 1.00 0.00 H new ATOM 985 N ALA A 76 -0.305 0.052 -7.035 1.00 0.00 N ATOM 986 CA ALA A 76 0.243 -1.020 -7.848 1.00 0.00 C ATOM 987 C ALA A 76 1.749 -1.125 -7.600 1.00 0.00 C ATOM 988 O ALA A 76 2.241 -2.170 -7.176 1.00 0.00 O ATOM 989 CB ALA A 76 -0.089 -0.766 -9.320 1.00 0.00 C ATOM 0 H ALA A 76 -0.667 0.846 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.203 -1.976 -7.573 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.322 -1.570 -9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.171 -0.730 -9.448 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.345 0.184 -9.632 1.00 0.00 H new ATOM 995 N ALA A 77 2.439 -0.028 -7.874 1.00 0.00 N ATOM 996 CA ALA A 77 3.879 0.017 -7.685 1.00 0.00 C ATOM 997 C ALA A 77 4.233 -0.617 -6.338 1.00 0.00 C ATOM 998 O ALA A 77 4.973 -1.598 -6.286 1.00 0.00 O ATOM 999 CB ALA A 77 4.364 1.465 -7.793 1.00 0.00 C ATOM 0 H ALA A 77 2.028 0.837 -8.225 1.00 0.00 H new ATOM 0 HA ALA A 77 4.385 -0.555 -8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.444 1.498 -7.651 1.00 0.00 H new ATOM 0 HB2 ALA A 77 4.115 1.860 -8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.879 2.069 -7.027 1.00 0.00 H new ATOM 1005 N GLY A 78 3.688 -0.031 -5.283 1.00 0.00 N ATOM 1006 CA GLY A 78 3.937 -0.526 -3.940 1.00 0.00 C ATOM 1007 C GLY A 78 3.741 -2.042 -3.870 1.00 0.00 C ATOM 1008 O GLY A 78 4.704 -2.789 -3.710 1.00 0.00 O ATOM 0 H GLY A 78 3.075 0.782 -5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.953 -0.273 -3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.264 -0.036 -3.237 1.00 0.00 H new ATOM 1012 N LEU A 79 2.486 -2.451 -3.993 1.00 0.00 N ATOM 1013 CA LEU A 79 2.152 -3.864 -3.945 1.00 0.00 C ATOM 1014 C LEU A 79 3.172 -4.653 -4.768 1.00 0.00 C ATOM 1015 O LEU A 79 3.497 -5.791 -4.434 1.00 0.00 O ATOM 1016 CB LEU A 79 0.703 -4.086 -4.384 1.00 0.00 C ATOM 1017 CG LEU A 79 -0.261 -4.566 -3.297 1.00 0.00 C ATOM 1018 CD1 LEU A 79 -0.625 -3.426 -2.345 1.00 0.00 C ATOM 1019 CD2 LEU A 79 -1.502 -5.217 -3.913 1.00 0.00 C ATOM 0 H LEU A 79 1.689 -1.828 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 79 2.212 -4.236 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.321 -3.151 -4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.697 -4.815 -5.195 1.00 0.00 H new ATOM 0 HG LEU A 79 0.244 -5.330 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.311 -3.794 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.279 -3.048 -1.868 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.103 -2.622 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.171 -5.549 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.018 -4.492 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.202 -6.073 -4.517 1.00 0.00 H new ATOM 1031 N SER A 80 3.648 -4.017 -5.828 1.00 0.00 N ATOM 1032 CA SER A 80 4.625 -4.646 -6.702 1.00 0.00 C ATOM 1033 C SER A 80 5.919 -4.915 -5.931 1.00 0.00 C ATOM 1034 O SER A 80 6.189 -6.049 -5.541 1.00 0.00 O ATOM 1035 CB SER A 80 4.908 -3.776 -7.928 1.00 0.00 C ATOM 1036 OG SER A 80 4.740 -4.497 -9.145 1.00 0.00 O ATOM 0 H SER A 80 3.376 -3.073 -6.102 1.00 0.00 H new ATOM 0 HA SER A 80 4.213 -5.593 -7.050 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.241 -2.914 -7.922 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.926 -3.391 -7.872 1.00 0.00 H new ATOM 0 HG SER A 80 4.928 -3.906 -9.904 1.00 0.00 H new ATOM 1042 N VAL A 81 6.685 -3.852 -5.736 1.00 0.00 N ATOM 1043 CA VAL A 81 7.945 -3.959 -5.019 1.00 0.00 C ATOM 1044 C VAL A 81 7.736 -4.788 -3.751 1.00 0.00 C ATOM 1045 O VAL A 81 8.667 -5.428 -3.263 1.00 0.00 O ATOM 1046 CB VAL A 81 8.506 -2.564 -4.736 1.00 0.00 C ATOM 1047 CG1 VAL A 81 7.531 -1.743 -3.889 1.00 0.00 C ATOM 1048 CG2 VAL A 81 9.877 -2.650 -4.063 1.00 0.00 C ATOM 0 H VAL A 81 6.458 -2.912 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 81 8.688 -4.476 -5.627 1.00 0.00 H new ATOM 0 HB VAL A 81 8.633 -2.054 -5.691 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.954 -0.756 -3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.586 -1.638 -4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.358 -2.250 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.253 -1.645 -3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 81 9.786 -3.188 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.571 -3.179 -4.717 1.00 0.00 H new ATOM 1058 N THR A 82 6.509 -4.751 -3.253 1.00 0.00 N ATOM 1059 CA THR A 82 6.166 -5.492 -2.051 1.00 0.00 C ATOM 1060 C THR A 82 6.288 -6.997 -2.299 1.00 0.00 C ATOM 1061 O THR A 82 7.305 -7.604 -1.966 1.00 0.00 O ATOM 1062 CB THR A 82 4.766 -5.060 -1.612 1.00 0.00 C ATOM 1063 OG1 THR A 82 4.973 -3.800 -0.980 1.00 0.00 O ATOM 1064 CG2 THR A 82 4.201 -5.946 -0.501 1.00 0.00 C ATOM 0 H THR A 82 5.740 -4.219 -3.660 1.00 0.00 H new ATOM 0 HA THR A 82 6.859 -5.271 -1.239 1.00 0.00 H new ATOM 0 HB THR A 82 4.094 -5.082 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 82 4.937 -3.087 -1.652 1.00 0.00 H new ATOM 0 HG21 THR A 82 3.206 -5.596 -0.227 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.139 -6.976 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.855 -5.899 0.370 1.00 0.00 H new ATOM 1072 N SER A 83 5.237 -7.555 -2.881 1.00 0.00 N ATOM 1073 CA SER A 83 5.214 -8.977 -3.177 1.00 0.00 C ATOM 1074 C SER A 83 6.515 -9.390 -3.868 1.00 0.00 C ATOM 1075 O SER A 83 7.122 -10.396 -3.505 1.00 0.00 O ATOM 1076 CB SER A 83 4.011 -9.338 -4.052 1.00 0.00 C ATOM 1077 OG SER A 83 3.210 -10.359 -3.464 1.00 0.00 O ATOM 0 H SER A 83 4.395 -7.048 -3.155 1.00 0.00 H new ATOM 0 HA SER A 83 5.122 -9.520 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.402 -8.449 -4.216 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.360 -9.670 -5.030 1.00 0.00 H new ATOM 0 HG SER A 83 2.452 -10.560 -4.052 1.00 0.00 H new ATOM 1083 N LYS A 84 6.905 -8.591 -4.850 1.00 0.00 N ATOM 1084 CA LYS A 84 8.124 -8.860 -5.594 1.00 0.00 C ATOM 1085 C LYS A 84 9.275 -9.090 -4.614 1.00 0.00 C ATOM 1086 O LYS A 84 9.983 -10.091 -4.705 1.00 0.00 O ATOM 1087 CB LYS A 84 8.391 -7.744 -6.606 1.00 0.00 C ATOM 1088 CG LYS A 84 9.212 -8.262 -7.789 1.00 0.00 C ATOM 1089 CD LYS A 84 8.582 -7.843 -9.119 1.00 0.00 C ATOM 1090 CE LYS A 84 7.931 -9.038 -9.819 1.00 0.00 C ATOM 1091 NZ LYS A 84 8.925 -9.760 -10.643 1.00 0.00 N ATOM 0 H LYS A 84 6.399 -7.757 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 84 8.018 -9.772 -6.181 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.445 -7.339 -6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.923 -6.927 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.229 -7.876 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.280 -9.349 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.835 -7.069 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.345 -7.409 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.505 -9.714 -9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.109 -8.695 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.467 -10.568 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.312 -9.117 -11.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.696 -10.104 -10.035 1.00 0.00 H new ATOM 1105 N VAL A 85 9.427 -8.145 -3.697 1.00 0.00 N ATOM 1106 CA VAL A 85 10.480 -8.232 -2.700 1.00 0.00 C ATOM 1107 C VAL A 85 10.268 -9.484 -1.847 1.00 0.00 C ATOM 1108 O VAL A 85 11.227 -10.066 -1.343 1.00 0.00 O ATOM 1109 CB VAL A 85 10.525 -6.946 -1.873 1.00 0.00 C ATOM 1110 CG1 VAL A 85 11.255 -7.171 -0.547 1.00 0.00 C ATOM 1111 CG2 VAL A 85 11.167 -5.805 -2.665 1.00 0.00 C ATOM 0 H VAL A 85 8.838 -7.315 -3.624 1.00 0.00 H new ATOM 0 HA VAL A 85 11.453 -8.328 -3.181 1.00 0.00 H new ATOM 0 HB VAL A 85 9.498 -6.659 -1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.273 -6.241 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.736 -7.938 0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.277 -7.495 -0.745 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.186 -4.903 -2.053 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.186 -6.080 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.587 -5.618 -3.569 1.00 0.00 H new ATOM 1121 N ILE A 86 9.005 -9.862 -1.713 1.00 0.00 N ATOM 1122 CA ILE A 86 8.654 -11.035 -0.930 1.00 0.00 C ATOM 1123 C ILE A 86 9.001 -12.296 -1.725 1.00 0.00 C ATOM 1124 O ILE A 86 10.021 -12.934 -1.469 1.00 0.00 O ATOM 1125 CB ILE A 86 7.191 -10.968 -0.490 1.00 0.00 C ATOM 1126 CG1 ILE A 86 6.943 -9.756 0.410 1.00 0.00 C ATOM 1127 CG2 ILE A 86 6.757 -12.275 0.176 1.00 0.00 C ATOM 1128 CD1 ILE A 86 5.484 -9.303 0.332 1.00 0.00 C ATOM 0 H ILE A 86 8.212 -9.377 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 86 9.237 -11.067 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 86 6.574 -10.840 -1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.195 -10.006 1.440 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.598 -8.937 0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.713 -12.200 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.872 -13.098 -0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.377 -12.460 1.053 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.336 -8.440 0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.242 -9.030 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.833 -10.116 0.654 1.00 0.00 H new ATOM 1140 N GLY A 87 8.132 -12.617 -2.672 1.00 0.00 N ATOM 1141 CA GLY A 87 8.334 -13.789 -3.506 1.00 0.00 C ATOM 1142 C GLY A 87 7.552 -13.671 -4.816 1.00 0.00 C ATOM 1143 O GLY A 87 6.581 -14.394 -5.031 1.00 0.00 O ATOM 0 H GLY A 87 7.286 -12.086 -2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.396 -13.908 -3.722 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.016 -14.682 -2.968 1.00 0.00 H new ATOM 1147 N GLY A 88 8.006 -12.755 -5.658 1.00 0.00 N ATOM 1148 CA GLY A 88 7.362 -12.533 -6.941 1.00 0.00 C ATOM 1149 C GLY A 88 5.900 -12.120 -6.757 1.00 0.00 C ATOM 1150 O GLY A 88 5.579 -10.933 -6.784 1.00 0.00 O ATOM 0 H GLY A 88 8.813 -12.158 -5.477 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.896 -11.758 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.414 -13.442 -7.540 1.00 0.00 H new ATOM 1154 N PHE A 89 5.054 -13.123 -6.573 1.00 0.00 N ATOM 1155 CA PHE A 89 3.634 -12.878 -6.384 1.00 0.00 C ATOM 1156 C PHE A 89 3.041 -13.854 -5.365 1.00 0.00 C ATOM 1157 O PHE A 89 2.338 -13.442 -4.443 1.00 0.00 O ATOM 1158 CB PHE A 89 2.958 -13.101 -7.738 1.00 0.00 C ATOM 1159 CG PHE A 89 1.430 -13.044 -7.688 1.00 0.00 C ATOM 1160 CD1 PHE A 89 0.805 -11.916 -7.255 1.00 0.00 C ATOM 1161 CD2 PHE A 89 0.696 -14.122 -8.075 1.00 0.00 C ATOM 1162 CE1 PHE A 89 -0.613 -11.864 -7.208 1.00 0.00 C ATOM 1163 CE2 PHE A 89 -0.722 -14.069 -8.028 1.00 0.00 C ATOM 1164 CZ PHE A 89 -1.347 -12.941 -7.596 1.00 0.00 C ATOM 0 H PHE A 89 5.324 -14.106 -6.551 1.00 0.00 H new ATOM 0 HA PHE A 89 3.477 -11.865 -6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.317 -12.348 -8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.262 -14.072 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.387 -11.060 -6.947 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.192 -15.018 -8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.109 -10.969 -6.864 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.305 -14.925 -8.335 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.426 -12.901 -7.561 1.00 0.00 H new ATOM 1174 N ALA A 90 3.346 -15.127 -5.566 1.00 0.00 N ATOM 1175 CA ALA A 90 2.852 -16.164 -4.676 1.00 0.00 C ATOM 1176 C ALA A 90 3.823 -17.347 -4.690 1.00 0.00 C ATOM 1177 O ALA A 90 3.520 -18.397 -5.254 1.00 0.00 O ATOM 1178 CB ALA A 90 1.437 -16.567 -5.097 1.00 0.00 C ATOM 0 H ALA A 90 3.929 -15.464 -6.332 1.00 0.00 H new ATOM 0 HA ALA A 90 2.795 -15.795 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.066 -17.345 -4.429 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.780 -15.699 -5.043 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.455 -16.945 -6.119 1.00 0.00 H new ATOM 1184 N GLY A 91 4.970 -17.137 -4.061 1.00 0.00 N ATOM 1185 CA GLY A 91 5.987 -18.172 -3.994 1.00 0.00 C ATOM 1186 C GLY A 91 6.702 -18.151 -2.641 1.00 0.00 C ATOM 1187 O GLY A 91 6.091 -17.853 -1.616 1.00 0.00 O ATOM 0 H GLY A 91 5.217 -16.265 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 91 5.529 -19.148 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.712 -18.027 -4.795 1.00 0.00 H new ATOM 1191 N THR A 92 7.988 -18.471 -2.682 1.00 0.00 N ATOM 1192 CA THR A 92 8.792 -18.492 -1.473 1.00 0.00 C ATOM 1193 C THR A 92 8.584 -17.206 -0.671 1.00 0.00 C ATOM 1194 O THR A 92 8.848 -16.112 -1.166 1.00 0.00 O ATOM 1195 CB THR A 92 10.249 -18.726 -1.879 1.00 0.00 C ATOM 1196 OG1 THR A 92 10.998 -18.307 -0.741 1.00 0.00 O ATOM 1197 CG2 THR A 92 10.705 -17.782 -2.993 1.00 0.00 C ATOM 0 H THR A 92 8.492 -18.718 -3.534 1.00 0.00 H new ATOM 0 HA THR A 92 8.489 -19.303 -0.811 1.00 0.00 H new ATOM 0 HB THR A 92 10.374 -19.759 -2.205 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.955 -18.426 -0.917 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.745 -17.990 -3.243 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.083 -17.933 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.612 -16.750 -2.656 1.00 0.00 H new ATOM 1205 N ALA A 93 8.112 -17.382 0.555 1.00 0.00 N ATOM 1206 CA ALA A 93 7.864 -16.249 1.431 1.00 0.00 C ATOM 1207 C ALA A 93 7.500 -16.759 2.826 1.00 0.00 C ATOM 1208 O ALA A 93 7.417 -17.966 3.048 1.00 0.00 O ATOM 1209 CB ALA A 93 6.769 -15.367 0.828 1.00 0.00 C ATOM 0 H ALA A 93 7.895 -18.292 0.962 1.00 0.00 H new ATOM 0 HA ALA A 93 8.760 -15.635 1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.583 -14.517 1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.089 -15.006 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.853 -15.948 0.718 1.00 0.00 H new ATOM 1215 N LEU A 94 7.293 -15.814 3.732 1.00 0.00 N ATOM 1216 CA LEU A 94 6.940 -16.152 5.100 1.00 0.00 C ATOM 1217 C LEU A 94 8.038 -17.030 5.703 1.00 0.00 C ATOM 1218 O LEU A 94 7.768 -18.135 6.171 1.00 0.00 O ATOM 1219 CB LEU A 94 5.548 -16.785 5.153 1.00 0.00 C ATOM 1220 CG LEU A 94 4.447 -15.933 5.788 1.00 0.00 C ATOM 1221 CD1 LEU A 94 4.787 -15.592 7.240 1.00 0.00 C ATOM 1222 CD2 LEU A 94 4.174 -14.680 4.953 1.00 0.00 C ATOM 0 H LEU A 94 7.363 -14.814 3.545 1.00 0.00 H new ATOM 0 HA LEU A 94 6.879 -15.252 5.712 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.245 -17.035 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.618 -17.723 5.704 1.00 0.00 H new ATOM 0 HG LEU A 94 3.527 -16.517 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.988 -14.986 7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.892 -16.512 7.815 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.723 -15.035 7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.388 -14.092 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.083 -14.083 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.857 -14.972 3.952 1.00 0.00 H new ATOM 1234 N GLY A 95 9.254 -16.505 5.673 1.00 0.00 N ATOM 1235 CA GLY A 95 10.395 -17.226 6.211 1.00 0.00 C ATOM 1236 C GLY A 95 11.448 -17.473 5.129 1.00 0.00 C ATOM 1237 O GLY A 95 11.120 -17.907 4.026 1.00 0.00 O ATOM 0 H GLY A 95 9.474 -15.588 5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.836 -16.657 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.065 -18.178 6.626 1.00 0.00 H new ATOM 1241 N ALA A 96 12.692 -17.187 5.483 1.00 0.00 N ATOM 1242 CA ALA A 96 13.796 -17.372 4.556 1.00 0.00 C ATOM 1243 C ALA A 96 13.605 -16.448 3.352 1.00 0.00 C ATOM 1244 O ALA A 96 12.710 -16.662 2.536 1.00 0.00 O ATOM 1245 CB ALA A 96 13.881 -18.845 4.152 1.00 0.00 C ATOM 0 H ALA A 96 12.960 -16.828 6.399 1.00 0.00 H new ATOM 0 HA ALA A 96 14.742 -17.108 5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 96 14.709 -18.984 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.045 -19.457 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.950 -19.145 3.672 1.00 0.00 H new ATOM 1251 N TRP A 97 14.461 -15.439 3.279 1.00 0.00 N ATOM 1252 CA TRP A 97 14.398 -14.481 2.188 1.00 0.00 C ATOM 1253 C TRP A 97 15.375 -14.937 1.102 1.00 0.00 C ATOM 1254 O TRP A 97 16.576 -14.690 1.200 1.00 0.00 O ATOM 1255 CB TRP A 97 14.678 -13.062 2.688 1.00 0.00 C ATOM 1256 CG TRP A 97 13.419 -12.260 3.020 1.00 0.00 C ATOM 1257 CD1 TRP A 97 12.509 -11.762 2.171 1.00 0.00 C ATOM 1258 CD2 TRP A 97 12.964 -11.879 4.336 1.00 0.00 C ATOM 1259 NE1 TRP A 97 11.506 -11.092 2.840 1.00 0.00 N ATOM 1260 CE2 TRP A 97 11.791 -11.165 4.199 1.00 0.00 C ATOM 1261 CE3 TRP A 97 13.525 -12.131 5.600 1.00 0.00 C ATOM 1262 CZ2 TRP A 97 11.080 -10.644 5.286 1.00 0.00 C ATOM 1263 CZ3 TRP A 97 12.802 -11.603 6.677 1.00 0.00 C ATOM 1264 CH2 TRP A 97 11.620 -10.882 6.555 1.00 0.00 C ATOM 0 H TRP A 97 15.202 -15.264 3.958 1.00 0.00 H new ATOM 0 HA TRP A 97 13.395 -14.446 1.762 1.00 0.00 H new ATOM 0 HB2 TRP A 97 15.306 -13.118 3.577 1.00 0.00 H new ATOM 0 HB3 TRP A 97 15.248 -12.526 1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 97 12.555 -11.872 1.098 1.00 0.00 H new ATOM 0 HE1 TRP A 97 10.703 -10.628 2.416 1.00 0.00 H new ATOM 0 HE3 TRP A 97 14.441 -12.688 5.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 10.164 -10.088 5.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 13.190 -11.768 7.671 1.00 0.00 H new ATOM 0 HH2 TRP A 97 11.120 -10.507 7.436 1.00 0.00 H new ATOM 1275 N LEU A 98 14.823 -15.594 0.093 1.00 0.00 N ATOM 1276 CA LEU A 98 15.631 -16.086 -1.010 1.00 0.00 C ATOM 1277 C LEU A 98 16.074 -14.906 -1.878 1.00 0.00 C ATOM 1278 O LEU A 98 17.262 -14.595 -1.948 1.00 0.00 O ATOM 1279 CB LEU A 98 14.877 -17.169 -1.784 1.00 0.00 C ATOM 1280 CG LEU A 98 15.645 -17.832 -2.930 1.00 0.00 C ATOM 1281 CD1 LEU A 98 16.500 -18.993 -2.418 1.00 0.00 C ATOM 1282 CD2 LEU A 98 14.694 -18.268 -4.047 1.00 0.00 C ATOM 0 H LEU A 98 13.826 -15.797 0.016 1.00 0.00 H new ATOM 0 HA LEU A 98 16.536 -16.565 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 98 14.572 -17.944 -1.081 1.00 0.00 H new ATOM 0 HB3 LEU A 98 13.966 -16.730 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 98 16.326 -17.095 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 98 17.035 -19.446 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 98 17.217 -18.622 -1.686 1.00 0.00 H new ATOM 0 HD13 LEU A 98 15.858 -19.739 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 98 15.265 -18.736 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 98 13.971 -18.982 -3.652 1.00 0.00 H new ATOM 0 HD23 LEU A 98 14.167 -17.397 -4.437 1.00 0.00 H new ATOM 1294 N GLY A 99 15.096 -14.282 -2.517 1.00 0.00 N ATOM 1295 CA GLY A 99 15.370 -13.144 -3.377 1.00 0.00 C ATOM 1296 C GLY A 99 16.400 -13.503 -4.450 1.00 0.00 C ATOM 1297 O GLY A 99 17.502 -12.957 -4.465 1.00 0.00 O ATOM 0 H GLY A 99 14.112 -14.543 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 99 14.447 -12.811 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.739 -12.311 -2.778 1.00 0.00 H new ATOM 1301 N SER A 100 16.004 -14.419 -5.322 1.00 0.00 N ATOM 1302 CA SER A 100 16.879 -14.858 -6.396 1.00 0.00 C ATOM 1303 C SER A 100 16.206 -14.621 -7.749 1.00 0.00 C ATOM 1304 O SER A 100 15.673 -15.552 -8.352 1.00 0.00 O ATOM 1305 CB SER A 100 17.249 -16.334 -6.237 1.00 0.00 C ATOM 1306 OG SER A 100 18.631 -16.509 -5.938 1.00 0.00 O ATOM 0 H SER A 100 15.089 -14.869 -5.307 1.00 0.00 H new ATOM 0 HA SER A 100 17.799 -14.275 -6.348 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.648 -16.775 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.006 -16.869 -7.155 1.00 0.00 H new ATOM 0 HG SER A 100 18.827 -17.465 -5.842 1.00 0.00 H new ATOM 1312 N PRO A 101 16.252 -13.339 -8.198 1.00 0.00 N ATOM 1313 CA PRO A 101 15.653 -12.968 -9.469 1.00 0.00 C ATOM 1314 C PRO A 101 16.513 -13.447 -10.641 1.00 0.00 C ATOM 1315 O PRO A 101 17.699 -13.726 -10.472 1.00 0.00 O ATOM 1316 CB PRO A 101 15.514 -11.456 -9.413 1.00 0.00 C ATOM 1317 CG PRO A 101 16.460 -10.991 -8.317 1.00 0.00 C ATOM 1318 CD PRO A 101 16.875 -12.211 -7.511 1.00 0.00 C ATOM 0 HA PRO A 101 14.682 -13.437 -9.629 1.00 0.00 H new ATOM 0 HB2 PRO A 101 15.773 -11.004 -10.370 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.487 -11.166 -9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 101 17.334 -10.503 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 101 15.970 -10.258 -7.676 1.00 0.00 H new ATOM 0 HD2 PRO A 101 17.960 -12.316 -7.481 1.00 0.00 H new ATOM 0 HD3 PRO A 101 16.533 -12.138 -6.479 1.00 0.00 H new ATOM 1326 N PRO A 102 15.865 -13.528 -11.834 1.00 0.00 N ATOM 1327 CA PRO A 102 16.557 -13.968 -13.033 1.00 0.00 C ATOM 1328 C PRO A 102 17.477 -12.869 -13.569 1.00 0.00 C ATOM 1329 O PRO A 102 17.088 -11.704 -13.632 1.00 0.00 O ATOM 1330 CB PRO A 102 15.454 -14.346 -14.008 1.00 0.00 C ATOM 1331 CG PRO A 102 14.193 -13.671 -13.493 1.00 0.00 C ATOM 1332 CD PRO A 102 14.461 -13.205 -12.071 1.00 0.00 C ATOM 0 HA PRO A 102 17.217 -14.816 -12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.693 -14.010 -15.017 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.327 -15.428 -14.054 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.926 -12.826 -14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 102 13.352 -14.365 -13.515 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.277 -12.136 -11.963 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.812 -13.714 -11.358 1.00 0.00 H new ATOM 1340 N SER A 103 18.681 -13.279 -13.942 1.00 0.00 N ATOM 1341 CA SER A 103 19.660 -12.344 -14.470 1.00 0.00 C ATOM 1342 C SER A 103 19.900 -11.215 -13.466 1.00 0.00 C ATOM 1343 O SER A 103 19.194 -11.109 -12.464 1.00 0.00 O ATOM 1344 CB SER A 103 19.204 -11.771 -15.814 1.00 0.00 C ATOM 1345 OG SER A 103 18.131 -10.846 -15.664 1.00 0.00 O ATOM 0 H SER A 103 19.000 -14.246 -13.889 1.00 0.00 H new ATOM 0 HA SER A 103 20.594 -12.882 -14.632 1.00 0.00 H new ATOM 0 HB2 SER A 103 20.044 -11.276 -16.301 1.00 0.00 H new ATOM 0 HB3 SER A 103 18.892 -12.585 -16.468 1.00 0.00 H new ATOM 0 HG SER A 103 17.792 -10.885 -14.745 1.00 0.00 H new ATOM 1351 N SER A 104 20.899 -10.399 -13.769 1.00 0.00 N ATOM 1352 CA SER A 104 21.241 -9.282 -12.905 1.00 0.00 C ATOM 1353 C SER A 104 20.596 -7.998 -13.430 1.00 0.00 C ATOM 1354 O SER A 104 19.971 -8.001 -14.490 1.00 0.00 O ATOM 1355 CB SER A 104 22.758 -9.110 -12.802 1.00 0.00 C ATOM 1356 OG SER A 104 23.381 -10.230 -12.180 1.00 0.00 O ATOM 0 H SER A 104 21.482 -10.489 -14.601 1.00 0.00 H new ATOM 0 HA SER A 104 20.857 -9.492 -11.907 1.00 0.00 H new ATOM 0 HB2 SER A 104 23.176 -8.970 -13.799 1.00 0.00 H new ATOM 0 HB3 SER A 104 22.983 -8.208 -12.233 1.00 0.00 H new ATOM 0 HG SER A 104 24.349 -10.083 -12.135 1.00 0.00 H new TER 1362 SER A 104