USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 819 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 98 SER OG : rot 102:sc= 0.0962 USER MOD Set 1.2: A 99 ASN :FLIP amide:sc= 0.905 F(o=-1.6,f=1) USER MOD Set 2.1: A 88 CYS SG : rot 180:sc= -1.03 USER MOD Set 2.2: A 95 SER OG : rot -148:sc= 1.2 USER MOD Set 3.1: A 39 THR OG1 : rot 70:sc= -0.944 USER MOD Set 3.2: A 90 ASN : amide:sc= -1 K(o=-1.9,f=-11!) USER MOD Set 4.1: A 77 GLN :FLIP amide:sc= -1 F(o=-2.1,f=-1.3) USER MOD Set 4.2: A 80 THR OG1 : rot 57:sc= -0.342 USER MOD Set 5.1: A 59 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 85 LYS NZ :NH3+ -109:sc= 2.05 (180deg=0.559) USER MOD Set 6.1: A 55 ASN : amide:sc= -1.71 K(o=-0.69,f=-5.9!) USER MOD Set 6.2: A 57 SER OG : rot 109:sc= 1.02 USER MOD Set 7.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 36 ASN : amide:sc= -0.743 K(o=-0.74,f=-5.5!) USER MOD Set 8.1: A 17 THR OG1 : rot 150:sc= 0 USER MOD Set 8.2: A 101 MET CE :methyl -122:sc= 0 (180deg=-0.422) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.998 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.18 K(o=-2.2,f=-4.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -124:sc= -0.951 (180deg=-2.68!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -158:sc= -0.537 (180deg=-1.67!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.0374 K(o=-0.037,f=-0.94) USER MOD Single : A 38 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.84) USER MOD Single : A 42 HIS : no HE2:sc= -0.168 X(o=-0.17,f=-0.62) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 165:sc= -0.599 USER MOD Single : A 48 TYR OH : rot 20:sc= 0.559 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -50:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -161:sc= -0.024 (180deg=-0.321) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.171 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.17 F(o=-0.77,f=-0.17) USER MOD Single : A 72 SER OG : rot 36:sc= 1.11 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.11 F(o=-0.62,f=-0.11) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 173:sc= -5.6! USER MOD Single : A 86 MET CE :methyl -149:sc= -0.586 (180deg=-2.68!) USER MOD Single : A 87 GLN : amide:sc= -4.93! C(o=-4.9!,f=-5.9!) USER MOD Single : A 103 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -162:sc= 2.26 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.530 18.975 -11.057 1.00 0.00 N ATOM 2 CA GLY A 1 26.004 17.658 -10.747 1.00 0.00 C ATOM 3 C GLY A 1 25.362 16.992 -11.949 1.00 0.00 C ATOM 4 O GLY A 1 26.032 16.710 -12.942 1.00 0.00 O ATOM 0 H1 GLY A 1 26.958 19.388 -10.204 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.252 18.894 -11.802 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.758 19.588 -11.388 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.810 17.027 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.269 17.743 -9.947 1.00 0.00 H new ATOM 8 N SER A 2 24.061 16.739 -11.858 1.00 0.00 N ATOM 9 CA SER A 2 23.329 16.097 -12.944 1.00 0.00 C ATOM 10 C SER A 2 22.079 16.894 -13.303 1.00 0.00 C ATOM 11 O SER A 2 21.384 17.407 -12.426 1.00 0.00 O ATOM 12 CB SER A 2 22.943 14.669 -12.553 1.00 0.00 C ATOM 13 OG SER A 2 22.050 14.666 -11.453 1.00 0.00 O ATOM 0 H SER A 2 23.492 16.969 -11.044 1.00 0.00 H new ATOM 0 HA SER A 2 23.980 16.063 -13.818 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.480 14.168 -13.403 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.839 14.103 -12.300 1.00 0.00 H new ATOM 0 HG SER A 2 21.817 13.742 -11.223 1.00 0.00 H new ATOM 19 N SER A 3 21.800 16.993 -14.599 1.00 0.00 N ATOM 20 CA SER A 3 20.636 17.730 -15.076 1.00 0.00 C ATOM 21 C SER A 3 19.516 16.776 -15.479 1.00 0.00 C ATOM 22 O SER A 3 19.742 15.805 -16.200 1.00 0.00 O ATOM 23 CB SER A 3 21.018 18.616 -16.263 1.00 0.00 C ATOM 24 OG SER A 3 21.508 19.872 -15.825 1.00 0.00 O ATOM 0 H SER A 3 22.364 16.572 -15.337 1.00 0.00 H new ATOM 0 HA SER A 3 20.278 18.360 -14.262 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.777 18.116 -16.865 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.149 18.765 -16.904 1.00 0.00 H new ATOM 0 HG SER A 3 21.747 20.419 -16.602 1.00 0.00 H new ATOM 30 N GLY A 4 18.306 17.060 -15.007 1.00 0.00 N ATOM 31 CA GLY A 4 17.168 16.219 -15.328 1.00 0.00 C ATOM 32 C GLY A 4 16.128 16.206 -14.225 1.00 0.00 C ATOM 33 O GLY A 4 16.327 16.803 -13.167 1.00 0.00 O ATOM 0 H GLY A 4 18.094 17.858 -14.408 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.709 16.571 -16.252 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.512 15.201 -15.511 1.00 0.00 H new ATOM 37 N SER A 5 15.014 15.524 -14.473 1.00 0.00 N ATOM 38 CA SER A 5 13.935 15.440 -13.495 1.00 0.00 C ATOM 39 C SER A 5 14.464 14.972 -12.142 1.00 0.00 C ATOM 40 O SER A 5 15.258 14.034 -12.065 1.00 0.00 O ATOM 41 CB SER A 5 12.845 14.486 -13.987 1.00 0.00 C ATOM 42 OG SER A 5 11.998 15.122 -14.929 1.00 0.00 O ATOM 0 H SER A 5 14.835 15.022 -15.343 1.00 0.00 H new ATOM 0 HA SER A 5 13.508 16.436 -13.375 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.304 13.608 -14.441 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.254 14.136 -13.140 1.00 0.00 H new ATOM 0 HG SER A 5 11.311 14.491 -15.229 1.00 0.00 H new ATOM 48 N SER A 6 14.018 15.632 -11.079 1.00 0.00 N ATOM 49 CA SER A 6 14.448 15.288 -9.729 1.00 0.00 C ATOM 50 C SER A 6 13.254 14.908 -8.859 1.00 0.00 C ATOM 51 O SER A 6 12.444 15.758 -8.490 1.00 0.00 O ATOM 52 CB SER A 6 15.202 16.459 -9.097 1.00 0.00 C ATOM 53 OG SER A 6 14.350 17.577 -8.917 1.00 0.00 O ATOM 0 H SER A 6 13.358 16.409 -11.126 1.00 0.00 H new ATOM 0 HA SER A 6 15.116 14.429 -9.795 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.614 16.153 -8.135 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.044 16.738 -9.731 1.00 0.00 H new ATOM 0 HG SER A 6 13.438 17.267 -8.734 1.00 0.00 H new ATOM 59 N GLY A 7 13.151 13.622 -8.533 1.00 0.00 N ATOM 60 CA GLY A 7 12.054 13.151 -7.709 1.00 0.00 C ATOM 61 C GLY A 7 12.500 12.138 -6.674 1.00 0.00 C ATOM 62 O GLY A 7 13.661 11.730 -6.634 1.00 0.00 O ATOM 0 H GLY A 7 13.808 12.899 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.591 14.000 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.291 12.703 -8.346 1.00 0.00 H new ATOM 66 N PRO A 8 11.564 11.718 -5.810 1.00 0.00 N ATOM 67 CA PRO A 8 11.844 10.742 -4.752 1.00 0.00 C ATOM 68 C PRO A 8 12.101 9.345 -5.306 1.00 0.00 C ATOM 69 O PRO A 8 11.509 8.945 -6.309 1.00 0.00 O ATOM 70 CB PRO A 8 10.567 10.757 -3.909 1.00 0.00 C ATOM 71 CG PRO A 8 9.499 11.206 -4.846 1.00 0.00 C ATOM 72 CD PRO A 8 10.160 12.162 -5.799 1.00 0.00 C ATOM 0 HA PRO A 8 12.744 10.995 -4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.348 9.769 -3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.660 11.435 -3.061 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.067 10.359 -5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.686 11.692 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.715 12.111 -6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.068 13.194 -5.461 1.00 0.00 H new ATOM 80 N VAL A 9 12.986 8.605 -4.646 1.00 0.00 N ATOM 81 CA VAL A 9 13.320 7.251 -5.071 1.00 0.00 C ATOM 82 C VAL A 9 13.298 6.283 -3.893 1.00 0.00 C ATOM 83 O VAL A 9 12.828 5.153 -4.014 1.00 0.00 O ATOM 84 CB VAL A 9 14.707 7.198 -5.739 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.670 7.875 -7.101 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.754 7.841 -4.843 1.00 0.00 C ATOM 0 H VAL A 9 13.485 8.921 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 9 12.564 6.952 -5.797 1.00 0.00 H new ATOM 0 HB VAL A 9 14.981 6.153 -5.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.659 7.828 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.950 7.365 -7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.375 8.917 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.728 7.795 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.488 8.882 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.798 7.307 -3.894 1.00 0.00 H new ATOM 96 N ALA A 10 13.810 6.736 -2.753 1.00 0.00 N ATOM 97 CA ALA A 10 13.847 5.912 -1.552 1.00 0.00 C ATOM 98 C ALA A 10 12.538 5.153 -1.366 1.00 0.00 C ATOM 99 O ALA A 10 12.530 4.012 -0.905 1.00 0.00 O ATOM 100 CB ALA A 10 14.139 6.772 -0.331 1.00 0.00 C ATOM 0 H ALA A 10 14.205 7.669 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 10 14.647 5.181 -1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.164 6.144 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.104 7.264 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.359 7.525 -0.222 1.00 0.00 H new ATOM 106 N GLY A 11 11.431 5.794 -1.729 1.00 0.00 N ATOM 107 CA GLY A 11 10.131 5.163 -1.594 1.00 0.00 C ATOM 108 C GLY A 11 9.825 4.765 -0.163 1.00 0.00 C ATOM 109 O GLY A 11 10.721 4.451 0.621 1.00 0.00 O ATOM 0 H GLY A 11 11.411 6.738 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.360 5.846 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.092 4.279 -2.230 1.00 0.00 H new ATOM 113 N PRO A 12 8.533 4.776 0.195 1.00 0.00 N ATOM 114 CA PRO A 12 8.082 4.417 1.543 1.00 0.00 C ATOM 115 C PRO A 12 8.251 2.930 1.834 1.00 0.00 C ATOM 116 O PRO A 12 8.250 2.105 0.919 1.00 0.00 O ATOM 117 CB PRO A 12 6.599 4.795 1.534 1.00 0.00 C ATOM 118 CG PRO A 12 6.200 4.727 0.100 1.00 0.00 C ATOM 119 CD PRO A 12 7.412 5.140 -0.687 1.00 0.00 C ATOM 0 HA PRO A 12 8.660 4.925 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.011 4.107 2.142 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.442 5.794 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.884 3.719 -0.170 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.359 5.390 -0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.467 4.619 -1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.404 6.208 -0.906 1.00 0.00 H new ATOM 127 N TYR A 13 8.394 2.593 3.111 1.00 0.00 N ATOM 128 CA TYR A 13 8.566 1.205 3.521 1.00 0.00 C ATOM 129 C TYR A 13 7.484 0.793 4.515 1.00 0.00 C ATOM 130 O TYR A 13 7.342 1.396 5.579 1.00 0.00 O ATOM 131 CB TYR A 13 9.949 1.002 4.142 1.00 0.00 C ATOM 132 CG TYR A 13 10.015 -0.161 5.107 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.527 -1.412 4.751 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.564 -0.007 6.374 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.584 -2.477 5.630 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.627 -1.067 7.258 1.00 0.00 C ATOM 137 CZ TYR A 13 10.136 -2.299 6.881 1.00 0.00 C ATOM 138 OH TYR A 13 10.195 -3.357 7.760 1.00 0.00 O ATOM 0 H TYR A 13 8.394 3.263 3.880 1.00 0.00 H new ATOM 0 HA TYR A 13 8.478 0.577 2.634 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.676 0.844 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.241 1.913 4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.096 -1.555 3.771 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.948 0.957 6.673 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.198 -3.443 5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.058 -0.931 8.239 1.00 0.00 H new ATOM 0 HH TYR A 13 10.614 -3.064 8.596 1.00 0.00 H new ATOM 148 N ILE A 14 6.726 -0.239 4.160 1.00 0.00 N ATOM 149 CA ILE A 14 5.658 -0.733 5.021 1.00 0.00 C ATOM 150 C ILE A 14 6.224 -1.423 6.257 1.00 0.00 C ATOM 151 O ILE A 14 6.999 -2.375 6.152 1.00 0.00 O ATOM 152 CB ILE A 14 4.742 -1.718 4.271 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.252 -1.097 2.961 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.564 -2.117 5.148 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.887 -2.119 1.907 1.00 0.00 C ATOM 0 H ILE A 14 6.831 -0.749 3.283 1.00 0.00 H new ATOM 0 HA ILE A 14 5.073 0.134 5.328 1.00 0.00 H new ATOM 0 HB ILE A 14 5.314 -2.615 4.034 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.382 -0.473 3.167 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.028 -0.441 2.566 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.925 -2.813 4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.932 -2.595 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.990 -1.229 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.548 -1.607 1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.760 -2.727 1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.089 -2.760 2.282 1.00 0.00 H new ATOM 167 N THR A 15 5.831 -0.938 7.431 1.00 0.00 N ATOM 168 CA THR A 15 6.298 -1.507 8.689 1.00 0.00 C ATOM 169 C THR A 15 5.131 -2.004 9.534 1.00 0.00 C ATOM 170 O THR A 15 5.313 -2.418 10.679 1.00 0.00 O ATOM 171 CB THR A 15 7.107 -0.481 9.504 1.00 0.00 C ATOM 172 OG1 THR A 15 6.237 0.536 10.014 1.00 0.00 O ATOM 173 CG2 THR A 15 8.192 0.156 8.649 1.00 0.00 C ATOM 0 H THR A 15 5.190 -0.152 7.536 1.00 0.00 H new ATOM 0 HA THR A 15 6.943 -2.348 8.435 1.00 0.00 H new ATOM 0 HB THR A 15 7.581 -1.004 10.335 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.759 1.183 10.532 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.750 0.877 9.247 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.870 -0.617 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.735 0.665 7.800 1.00 0.00 H new ATOM 181 N PHE A 16 3.932 -1.962 8.962 1.00 0.00 N ATOM 182 CA PHE A 16 2.735 -2.409 9.664 1.00 0.00 C ATOM 183 C PHE A 16 1.675 -2.891 8.678 1.00 0.00 C ATOM 184 O PHE A 16 1.301 -2.174 7.749 1.00 0.00 O ATOM 185 CB PHE A 16 2.170 -1.276 10.524 1.00 0.00 C ATOM 186 CG PHE A 16 1.394 -1.759 11.716 1.00 0.00 C ATOM 187 CD1 PHE A 16 2.042 -2.079 12.898 1.00 0.00 C ATOM 188 CD2 PHE A 16 0.016 -1.893 11.654 1.00 0.00 C ATOM 189 CE1 PHE A 16 1.331 -2.523 13.997 1.00 0.00 C ATOM 190 CE2 PHE A 16 -0.701 -2.336 12.750 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.042 -2.652 13.922 1.00 0.00 C ATOM 0 H PHE A 16 3.764 -1.623 8.015 1.00 0.00 H new ATOM 0 HA PHE A 16 3.012 -3.243 10.309 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.991 -0.646 10.866 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.523 -0.651 9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.116 -1.980 12.961 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.504 -1.649 10.739 1.00 0.00 H new ATOM 0 HE1 PHE A 16 1.848 -2.769 14.913 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.775 -2.435 12.690 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.600 -3.000 14.779 1.00 0.00 H new ATOM 201 N THR A 17 1.194 -4.113 8.886 1.00 0.00 N ATOM 202 CA THR A 17 0.179 -4.694 8.016 1.00 0.00 C ATOM 203 C THR A 17 -0.788 -5.569 8.806 1.00 0.00 C ATOM 204 O THR A 17 -0.419 -6.641 9.286 1.00 0.00 O ATOM 205 CB THR A 17 0.815 -5.535 6.894 1.00 0.00 C ATOM 206 OG1 THR A 17 2.043 -6.113 7.351 1.00 0.00 O ATOM 207 CG2 THR A 17 1.078 -4.683 5.661 1.00 0.00 C ATOM 0 H THR A 17 1.491 -4.720 9.650 1.00 0.00 H new ATOM 0 HA THR A 17 -0.368 -3.863 7.571 1.00 0.00 H new ATOM 0 HB THR A 17 0.118 -6.329 6.626 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.194 -6.965 6.892 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.527 -5.299 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.138 -4.268 5.298 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.758 -3.871 5.918 1.00 0.00 H new ATOM 215 N ASP A 18 -2.026 -5.105 8.938 1.00 0.00 N ATOM 216 CA ASP A 18 -3.046 -5.847 9.669 1.00 0.00 C ATOM 217 C ASP A 18 -4.386 -5.787 8.943 1.00 0.00 C ATOM 218 O ASP A 18 -4.689 -4.810 8.258 1.00 0.00 O ATOM 219 CB ASP A 18 -3.194 -5.291 11.086 1.00 0.00 C ATOM 220 CG ASP A 18 -2.230 -5.934 12.063 1.00 0.00 C ATOM 221 OD1 ASP A 18 -2.095 -7.175 12.035 1.00 0.00 O ATOM 222 OD2 ASP A 18 -1.609 -5.195 12.856 1.00 0.00 O ATOM 0 H ASP A 18 -2.347 -4.219 8.548 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.731 -6.889 9.727 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.026 -4.214 11.070 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.216 -5.449 11.431 1.00 0.00 H new ATOM 227 N ALA A 19 -5.185 -6.838 9.096 1.00 0.00 N ATOM 228 CA ALA A 19 -6.493 -6.904 8.456 1.00 0.00 C ATOM 229 C ALA A 19 -7.577 -6.331 9.362 1.00 0.00 C ATOM 230 O ALA A 19 -7.819 -6.841 10.456 1.00 0.00 O ATOM 231 CB ALA A 19 -6.823 -8.340 8.078 1.00 0.00 C ATOM 0 H ALA A 19 -4.949 -7.656 9.658 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.458 -6.300 7.549 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.802 -8.375 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.069 -8.717 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.834 -8.959 8.975 1.00 0.00 H new ATOM 237 N VAL A 20 -8.226 -5.267 8.901 1.00 0.00 N ATOM 238 CA VAL A 20 -9.285 -4.624 9.669 1.00 0.00 C ATOM 239 C VAL A 20 -10.578 -5.430 9.605 1.00 0.00 C ATOM 240 O VAL A 20 -11.415 -5.353 10.503 1.00 0.00 O ATOM 241 CB VAL A 20 -9.558 -3.195 9.163 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.522 -2.474 10.093 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.256 -2.421 9.028 1.00 0.00 C ATOM 0 H VAL A 20 -8.037 -4.832 7.998 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.941 -4.576 10.702 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.021 -3.259 8.178 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.703 -1.466 9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.464 -3.020 10.135 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.090 -2.418 11.092 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.467 -1.414 8.669 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.764 -2.365 9.999 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.603 -2.929 8.319 1.00 0.00 H new ATOM 253 N ASN A 21 -10.733 -6.204 8.536 1.00 0.00 N ATOM 254 CA ASN A 21 -11.925 -7.025 8.353 1.00 0.00 C ATOM 255 C ASN A 21 -11.713 -8.052 7.245 1.00 0.00 C ATOM 256 O ASN A 21 -10.619 -8.168 6.695 1.00 0.00 O ATOM 257 CB ASN A 21 -13.131 -6.144 8.024 1.00 0.00 C ATOM 258 CG ASN A 21 -13.833 -5.635 9.268 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.738 -6.237 10.338 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.544 -4.522 9.133 1.00 0.00 N ATOM 0 H ASN A 21 -10.049 -6.280 7.783 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.116 -7.557 9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.804 -5.296 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.837 -6.712 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.039 -4.133 9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.595 -4.056 8.227 1.00 0.00 H new ATOM 267 N GLU A 22 -12.769 -8.794 6.924 1.00 0.00 N ATOM 268 CA GLU A 22 -12.697 -9.812 5.882 1.00 0.00 C ATOM 269 C GLU A 22 -12.594 -9.170 4.502 1.00 0.00 C ATOM 270 O GLU A 22 -12.138 -9.797 3.545 1.00 0.00 O ATOM 271 CB GLU A 22 -13.926 -10.722 5.943 1.00 0.00 C ATOM 272 CG GLU A 22 -15.236 -9.993 5.698 1.00 0.00 C ATOM 273 CD GLU A 22 -15.834 -9.425 6.971 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.045 -10.202 7.926 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.092 -8.204 7.012 1.00 0.00 O ATOM 0 H GLU A 22 -13.683 -8.709 7.370 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.802 -10.410 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.817 -11.515 5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.964 -11.202 6.921 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.070 -9.184 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.949 -10.679 5.240 1.00 0.00 H new ATOM 282 N THR A 23 -13.021 -7.915 4.405 1.00 0.00 N ATOM 283 CA THR A 23 -12.978 -7.188 3.143 1.00 0.00 C ATOM 284 C THR A 23 -12.247 -5.859 3.298 1.00 0.00 C ATOM 285 O THR A 23 -12.325 -4.989 2.429 1.00 0.00 O ATOM 286 CB THR A 23 -14.395 -6.920 2.600 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.213 -6.349 3.628 1.00 0.00 O ATOM 288 CG2 THR A 23 -15.032 -8.205 2.094 1.00 0.00 C ATOM 0 H THR A 23 -13.401 -7.381 5.186 1.00 0.00 H new ATOM 0 HA THR A 23 -12.438 -7.817 2.435 1.00 0.00 H new ATOM 0 HB THR A 23 -14.316 -6.220 1.768 1.00 0.00 H new ATOM 0 HG1 THR A 23 -16.111 -6.180 3.275 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.032 -7.991 1.716 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.422 -8.622 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.099 -8.924 2.911 1.00 0.00 H new ATOM 296 N THR A 24 -11.533 -5.708 4.409 1.00 0.00 N ATOM 297 CA THR A 24 -10.787 -4.485 4.678 1.00 0.00 C ATOM 298 C THR A 24 -9.416 -4.795 5.267 1.00 0.00 C ATOM 299 O THR A 24 -9.256 -5.759 6.017 1.00 0.00 O ATOM 300 CB THR A 24 -11.552 -3.562 5.645 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.948 -3.570 5.329 1.00 0.00 O ATOM 302 CG2 THR A 24 -11.019 -2.139 5.571 1.00 0.00 C ATOM 0 H THR A 24 -11.456 -6.418 5.137 1.00 0.00 H new ATOM 0 HA THR A 24 -10.662 -3.975 3.723 1.00 0.00 H new ATOM 0 HB THR A 24 -11.407 -3.935 6.659 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.427 -2.982 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.575 -1.506 6.263 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.963 -2.132 5.841 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.137 -1.759 4.556 1.00 0.00 H new ATOM 310 N ILE A 25 -8.430 -3.973 4.925 1.00 0.00 N ATOM 311 CA ILE A 25 -7.073 -4.160 5.422 1.00 0.00 C ATOM 312 C ILE A 25 -6.408 -2.821 5.722 1.00 0.00 C ATOM 313 O ILE A 25 -6.490 -1.884 4.928 1.00 0.00 O ATOM 314 CB ILE A 25 -6.205 -4.937 4.414 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.589 -6.418 4.412 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.730 -4.766 4.743 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.714 -7.268 3.518 1.00 0.00 C ATOM 0 H ILE A 25 -8.546 -3.171 4.306 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.152 -4.739 6.342 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.383 -4.534 3.417 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.534 -6.801 5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.626 -6.516 4.091 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.130 -5.321 4.022 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.467 -3.709 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.535 -5.145 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.044 -8.306 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.788 -6.911 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.679 -7.201 3.852 1.00 0.00 H new ATOM 329 N MET A 26 -5.747 -2.739 6.872 1.00 0.00 N ATOM 330 CA MET A 26 -5.065 -1.515 7.275 1.00 0.00 C ATOM 331 C MET A 26 -3.551 -1.701 7.247 1.00 0.00 C ATOM 332 O MET A 26 -3.025 -2.670 7.797 1.00 0.00 O ATOM 333 CB MET A 26 -5.513 -1.094 8.676 1.00 0.00 C ATOM 334 CG MET A 26 -4.510 -0.204 9.393 1.00 0.00 C ATOM 335 SD MET A 26 -5.260 0.755 10.723 1.00 0.00 S ATOM 336 CE MET A 26 -4.953 2.425 10.151 1.00 0.00 C ATOM 0 H MET A 26 -5.669 -3.505 7.541 1.00 0.00 H new ATOM 0 HA MET A 26 -5.330 -0.731 6.566 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.465 -0.568 8.601 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.688 -1.987 9.276 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.710 -0.821 9.802 1.00 0.00 H new ATOM 0 HG3 MET A 26 -4.053 0.475 8.673 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.409 2.978 10.917 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.360 2.393 9.237 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.903 2.921 9.951 1.00 0.00 H new ATOM 346 N LEU A 27 -2.857 -0.769 6.605 1.00 0.00 N ATOM 347 CA LEU A 27 -1.402 -0.832 6.505 1.00 0.00 C ATOM 348 C LEU A 27 -0.784 0.548 6.703 1.00 0.00 C ATOM 349 O LEU A 27 -1.322 1.554 6.240 1.00 0.00 O ATOM 350 CB LEU A 27 -0.989 -1.399 5.146 1.00 0.00 C ATOM 351 CG LEU A 27 -0.932 -0.398 3.991 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.030 -0.916 2.881 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.329 -0.119 3.458 1.00 0.00 C ATOM 0 H LEU A 27 -3.277 0.039 6.146 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.035 -1.491 7.292 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.007 -1.860 5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.687 -2.193 4.879 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.514 0.537 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.001 -0.191 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.977 -1.065 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.419 -1.864 2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.269 0.595 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.774 -1.047 3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.946 0.295 4.255 1.00 0.00 H new ATOM 365 N LYS A 28 0.352 0.589 7.392 1.00 0.00 N ATOM 366 CA LYS A 28 1.047 1.844 7.649 1.00 0.00 C ATOM 367 C LYS A 28 2.477 1.792 7.120 1.00 0.00 C ATOM 368 O LYS A 28 3.188 0.808 7.323 1.00 0.00 O ATOM 369 CB LYS A 28 1.057 2.148 9.149 1.00 0.00 C ATOM 370 CG LYS A 28 -0.324 2.136 9.781 1.00 0.00 C ATOM 371 CD LYS A 28 -0.256 1.810 11.263 1.00 0.00 C ATOM 372 CE LYS A 28 -1.641 1.773 11.890 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.590 1.998 13.361 1.00 0.00 N ATOM 0 H LYS A 28 0.811 -0.234 7.783 1.00 0.00 H new ATOM 0 HA LYS A 28 0.514 2.639 7.127 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.686 1.416 9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.513 3.125 9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.797 3.108 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.951 1.402 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.233 0.846 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.355 2.555 11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.269 2.534 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.106 0.809 11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.554 1.965 13.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.011 1.257 13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.169 2.929 13.555 1.00 0.00 H new ATOM 387 N TRP A 29 2.892 2.857 6.444 1.00 0.00 N ATOM 388 CA TRP A 29 4.238 2.932 5.888 1.00 0.00 C ATOM 389 C TRP A 29 5.059 4.007 6.592 1.00 0.00 C ATOM 390 O TRP A 29 4.521 4.817 7.346 1.00 0.00 O ATOM 391 CB TRP A 29 4.177 3.221 4.387 1.00 0.00 C ATOM 392 CG TRP A 29 3.380 4.445 4.050 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.841 5.728 3.975 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.982 4.500 3.745 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.814 6.578 3.641 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.664 5.849 3.494 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.970 3.542 3.658 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.375 6.260 3.163 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.309 3.951 3.329 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.597 5.300 3.085 1.00 0.00 C ATOM 0 H TRP A 29 2.316 3.680 6.268 1.00 0.00 H new ATOM 0 HA TRP A 29 4.723 1.969 6.046 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.191 3.340 4.006 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.743 2.361 3.876 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.863 6.030 4.152 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.895 7.588 3.522 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.183 2.500 3.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.151 7.299 2.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.099 3.218 3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.606 5.588 2.830 1.00 0.00 H new ATOM 411 N MET A 30 6.364 4.008 6.341 1.00 0.00 N ATOM 412 CA MET A 30 7.258 4.986 6.951 1.00 0.00 C ATOM 413 C MET A 30 8.033 5.753 5.885 1.00 0.00 C ATOM 414 O MET A 30 8.078 5.348 4.724 1.00 0.00 O ATOM 415 CB MET A 30 8.232 4.292 7.906 1.00 0.00 C ATOM 416 CG MET A 30 9.397 3.618 7.202 1.00 0.00 C ATOM 417 SD MET A 30 10.626 2.972 8.353 1.00 0.00 S ATOM 418 CE MET A 30 10.827 4.372 9.453 1.00 0.00 C ATOM 0 H MET A 30 6.826 3.343 5.720 1.00 0.00 H new ATOM 0 HA MET A 30 6.651 5.695 7.514 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.620 5.026 8.612 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.689 3.547 8.487 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.020 2.803 6.584 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.874 4.333 6.531 1.00 0.00 H new ATOM 0 HE1 MET A 30 11.790 4.302 9.959 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.786 5.296 8.877 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.027 4.371 10.194 1.00 0.00 H new ATOM 428 N TYR A 31 8.643 6.863 6.287 1.00 0.00 N ATOM 429 CA TYR A 31 9.414 7.688 5.365 1.00 0.00 C ATOM 430 C TYR A 31 10.851 7.850 5.851 1.00 0.00 C ATOM 431 O TYR A 31 11.112 7.878 7.054 1.00 0.00 O ATOM 432 CB TYR A 31 8.759 9.062 5.208 1.00 0.00 C ATOM 433 CG TYR A 31 9.376 9.905 4.115 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.291 9.520 2.782 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.045 11.085 4.415 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.854 10.287 1.780 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.610 11.859 3.419 1.00 0.00 C ATOM 438 CZ TYR A 31 10.512 11.455 2.104 1.00 0.00 C ATOM 439 OH TYR A 31 11.074 12.223 1.109 1.00 0.00 O ATOM 0 H TYR A 31 8.618 7.212 7.245 1.00 0.00 H new ATOM 0 HA TYR A 31 9.431 7.188 4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.698 8.928 4.997 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.830 9.599 6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.776 8.606 2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.125 11.403 5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.779 9.974 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.125 12.775 3.669 1.00 0.00 H new ATOM 0 HH TYR A 31 11.499 13.012 1.505 1.00 0.00 H new ATOM 449 N ILE A 32 11.779 7.957 4.906 1.00 0.00 N ATOM 450 CA ILE A 32 13.190 8.118 5.237 1.00 0.00 C ATOM 451 C ILE A 32 13.760 9.385 4.609 1.00 0.00 C ATOM 452 O ILE A 32 14.154 9.408 3.443 1.00 0.00 O ATOM 453 CB ILE A 32 14.019 6.908 4.767 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.438 5.612 5.335 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.474 7.070 5.184 1.00 0.00 C ATOM 456 CD1 ILE A 32 13.573 5.496 6.837 1.00 0.00 C ATOM 0 H ILE A 32 11.580 7.935 3.906 1.00 0.00 H new ATOM 0 HA ILE A 32 13.254 8.193 6.323 1.00 0.00 H new ATOM 0 HB ILE A 32 13.976 6.857 3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.383 5.548 5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.937 4.764 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.048 6.207 4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.882 7.976 4.736 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.535 7.143 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.140 4.553 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.628 5.527 7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.049 6.324 7.314 1.00 0.00 H new ATOM 468 N PRO A 33 13.808 10.467 5.401 1.00 0.00 N ATOM 469 CA PRO A 33 14.331 11.759 4.945 1.00 0.00 C ATOM 470 C PRO A 33 15.840 11.729 4.729 1.00 0.00 C ATOM 471 O PRO A 33 16.423 12.687 4.222 1.00 0.00 O ATOM 472 CB PRO A 33 13.974 12.710 6.090 1.00 0.00 C ATOM 473 CG PRO A 33 13.876 11.835 7.293 1.00 0.00 C ATOM 474 CD PRO A 33 13.356 10.513 6.802 1.00 0.00 C ATOM 0 HA PRO A 33 13.911 12.052 3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.737 13.477 6.220 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.033 13.225 5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.849 11.719 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.205 12.267 8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.759 9.682 7.382 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.270 10.456 6.876 1.00 0.00 H new ATOM 482 N ALA A 34 16.467 10.623 5.116 1.00 0.00 N ATOM 483 CA ALA A 34 17.909 10.468 4.962 1.00 0.00 C ATOM 484 C ALA A 34 18.286 10.277 3.497 1.00 0.00 C ATOM 485 O ALA A 34 18.829 11.181 2.862 1.00 0.00 O ATOM 486 CB ALA A 34 18.406 9.296 5.795 1.00 0.00 C ATOM 0 H ALA A 34 15.999 9.821 5.538 1.00 0.00 H new ATOM 0 HA ALA A 34 18.388 11.380 5.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.484 9.192 5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.178 9.474 6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.913 8.381 5.466 1.00 0.00 H new ATOM 492 N SER A 35 17.997 9.093 2.966 1.00 0.00 N ATOM 493 CA SER A 35 18.311 8.781 1.576 1.00 0.00 C ATOM 494 C SER A 35 17.297 9.424 0.633 1.00 0.00 C ATOM 495 O SER A 35 16.737 8.760 -0.238 1.00 0.00 O ATOM 496 CB SER A 35 18.333 7.266 1.364 1.00 0.00 C ATOM 497 OG SER A 35 19.607 6.727 1.671 1.00 0.00 O ATOM 0 H SER A 35 17.546 8.334 3.477 1.00 0.00 H new ATOM 0 HA SER A 35 19.298 9.186 1.352 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.575 6.797 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.077 7.037 0.330 1.00 0.00 H new ATOM 0 HG SER A 35 19.595 5.757 1.529 1.00 0.00 H new ATOM 503 N ASN A 36 17.068 10.720 0.815 1.00 0.00 N ATOM 504 CA ASN A 36 16.123 11.453 -0.018 1.00 0.00 C ATOM 505 C ASN A 36 16.794 12.656 -0.675 1.00 0.00 C ATOM 506 O ASN A 36 17.801 13.163 -0.182 1.00 0.00 O ATOM 507 CB ASN A 36 14.927 11.916 0.817 1.00 0.00 C ATOM 508 CG ASN A 36 13.929 12.718 0.004 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.659 13.881 0.303 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.375 12.097 -1.031 1.00 0.00 N ATOM 0 H ASN A 36 17.524 11.284 1.532 1.00 0.00 H new ATOM 0 HA ASN A 36 15.773 10.782 -0.802 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.428 11.047 1.245 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.282 12.522 1.651 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.696 12.585 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.629 11.132 -1.242 1.00 0.00 H new ATOM 517 N ASN A 37 16.229 13.106 -1.791 1.00 0.00 N ATOM 518 CA ASN A 37 16.774 14.249 -2.515 1.00 0.00 C ATOM 519 C ASN A 37 16.200 15.557 -1.978 1.00 0.00 C ATOM 520 O ASN A 37 16.345 16.610 -2.597 1.00 0.00 O ATOM 521 CB ASN A 37 16.471 14.122 -4.010 1.00 0.00 C ATOM 522 CG ASN A 37 17.522 13.313 -4.746 1.00 0.00 C ATOM 523 OD1 ASN A 37 18.314 12.599 -4.131 1.00 0.00 O ATOM 524 ND2 ASN A 37 17.533 13.423 -6.069 1.00 0.00 N ATOM 0 H ASN A 37 15.395 12.697 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 37 17.854 14.260 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 37 15.496 13.652 -4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.407 15.117 -4.451 1.00 0.00 H new ATOM 0 HD21 ASN A 37 18.217 12.903 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 37 16.857 14.027 -6.536 1.00 0.00 H new ATOM 531 N ASN A 38 15.550 15.480 -0.822 1.00 0.00 N ATOM 532 CA ASN A 38 14.955 16.658 -0.200 1.00 0.00 C ATOM 533 C ASN A 38 13.873 17.257 -1.095 1.00 0.00 C ATOM 534 O ASN A 38 13.890 18.452 -1.393 1.00 0.00 O ATOM 535 CB ASN A 38 16.031 17.706 0.090 1.00 0.00 C ATOM 536 CG ASN A 38 15.532 18.809 1.003 1.00 0.00 C ATOM 537 OD1 ASN A 38 14.762 18.561 1.931 1.00 0.00 O ATOM 538 ND2 ASN A 38 15.971 20.035 0.744 1.00 0.00 N ATOM 0 H ASN A 38 15.422 14.615 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 38 14.496 16.350 0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.893 17.221 0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.372 18.142 -0.849 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.671 20.818 1.325 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.609 20.194 -0.036 1.00 0.00 H new ATOM 545 N THR A 39 12.933 16.419 -1.519 1.00 0.00 N ATOM 546 CA THR A 39 11.844 16.864 -2.380 1.00 0.00 C ATOM 547 C THR A 39 10.489 16.517 -1.775 1.00 0.00 C ATOM 548 O THR A 39 10.296 15.448 -1.196 1.00 0.00 O ATOM 549 CB THR A 39 11.944 16.236 -3.783 1.00 0.00 C ATOM 550 OG1 THR A 39 11.220 17.031 -4.728 1.00 0.00 O ATOM 551 CG2 THR A 39 11.396 14.817 -3.781 1.00 0.00 C ATOM 0 H THR A 39 12.904 15.428 -1.280 1.00 0.00 H new ATOM 0 HA THR A 39 11.933 17.947 -2.468 1.00 0.00 H new ATOM 0 HB THR A 39 12.996 16.202 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.690 17.879 -4.870 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.477 14.394 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.968 14.207 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.349 14.832 -3.477 1.00 0.00 H new ATOM 559 N PRO A 40 9.525 17.440 -1.912 1.00 0.00 N ATOM 560 CA PRO A 40 8.169 17.252 -1.386 1.00 0.00 C ATOM 561 C PRO A 40 7.393 16.186 -2.152 1.00 0.00 C ATOM 562 O PRO A 40 7.603 15.992 -3.349 1.00 0.00 O ATOM 563 CB PRO A 40 7.522 18.626 -1.578 1.00 0.00 C ATOM 564 CG PRO A 40 8.274 19.246 -2.705 1.00 0.00 C ATOM 565 CD PRO A 40 9.684 18.737 -2.591 1.00 0.00 C ATOM 0 HA PRO A 40 8.176 16.909 -0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.462 18.535 -1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.597 19.229 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.836 18.971 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.245 20.334 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.151 18.624 -3.570 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.312 19.418 -2.016 1.00 0.00 H new ATOM 573 N ILE A 41 6.496 15.499 -1.453 1.00 0.00 N ATOM 574 CA ILE A 41 5.687 14.453 -2.069 1.00 0.00 C ATOM 575 C ILE A 41 4.242 14.907 -2.242 1.00 0.00 C ATOM 576 O ILE A 41 3.686 15.588 -1.379 1.00 0.00 O ATOM 577 CB ILE A 41 5.711 13.159 -1.234 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.142 12.830 -0.804 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.113 12.007 -2.027 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.237 11.629 0.111 1.00 0.00 C ATOM 0 H ILE A 41 6.311 15.647 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 41 6.122 14.252 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 41 5.108 13.310 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.747 12.649 -1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.569 13.696 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.137 11.099 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.081 12.242 -2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.692 11.853 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.280 11.455 0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.659 11.815 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.840 10.751 -0.399 1.00 0.00 H new ATOM 592 N HIS A 42 3.637 14.523 -3.362 1.00 0.00 N ATOM 593 CA HIS A 42 2.254 14.889 -3.648 1.00 0.00 C ATOM 594 C HIS A 42 1.288 14.044 -2.823 1.00 0.00 C ATOM 595 O HIS A 42 0.289 14.547 -2.310 1.00 0.00 O ATOM 596 CB HIS A 42 1.957 14.717 -5.138 1.00 0.00 C ATOM 597 CG HIS A 42 2.303 15.920 -5.960 1.00 0.00 C ATOM 598 ND1 HIS A 42 1.603 16.285 -7.091 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.280 16.844 -5.809 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.136 17.381 -7.601 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.155 17.741 -6.842 1.00 0.00 N ATOM 0 H HIS A 42 4.082 13.959 -4.086 1.00 0.00 H new ATOM 0 HA HIS A 42 2.116 15.936 -3.377 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.513 13.858 -5.514 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.898 14.492 -5.266 1.00 0.00 H new ATOM 0 HD1 HIS A 42 0.800 15.787 -7.474 1.00 0.00 H new ATOM 0 HD2 HIS A 42 4.020 16.871 -5.023 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.796 17.895 -8.488 1.00 0.00 H new ATOM 610 N GLY A 43 1.592 12.755 -2.701 1.00 0.00 N ATOM 611 CA GLY A 43 0.740 11.861 -1.939 1.00 0.00 C ATOM 612 C GLY A 43 1.358 10.489 -1.753 1.00 0.00 C ATOM 613 O GLY A 43 2.578 10.358 -1.650 1.00 0.00 O ATOM 0 H GLY A 43 2.413 12.314 -3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.539 12.301 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.219 11.758 -2.446 1.00 0.00 H new ATOM 617 N PHE A 44 0.514 9.463 -1.709 1.00 0.00 N ATOM 618 CA PHE A 44 0.984 8.094 -1.532 1.00 0.00 C ATOM 619 C PHE A 44 0.092 7.111 -2.284 1.00 0.00 C ATOM 620 O PHE A 44 -1.117 7.052 -2.055 1.00 0.00 O ATOM 621 CB PHE A 44 1.021 7.733 -0.046 1.00 0.00 C ATOM 622 CG PHE A 44 2.223 8.275 0.673 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.503 7.968 0.240 1.00 0.00 C ATOM 624 CD2 PHE A 44 2.073 9.093 1.782 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.610 8.466 0.901 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.177 9.593 2.446 1.00 0.00 C ATOM 627 CZ PHE A 44 4.447 9.280 2.004 1.00 0.00 C ATOM 0 H PHE A 44 -0.498 9.554 -1.793 1.00 0.00 H new ATOM 0 HA PHE A 44 1.993 8.027 -1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.119 8.112 0.434 1.00 0.00 H new ATOM 0 HB3 PHE A 44 1.005 6.648 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.637 7.333 -0.623 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.082 9.342 2.131 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.602 8.218 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.046 10.228 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.311 9.671 2.520 1.00 0.00 H new ATOM 637 N TYR A 45 0.696 6.341 -3.182 1.00 0.00 N ATOM 638 CA TYR A 45 -0.044 5.362 -3.971 1.00 0.00 C ATOM 639 C TYR A 45 0.045 3.976 -3.340 1.00 0.00 C ATOM 640 O TYR A 45 1.080 3.596 -2.792 1.00 0.00 O ATOM 641 CB TYR A 45 0.493 5.319 -5.402 1.00 0.00 C ATOM 642 CG TYR A 45 -0.207 6.276 -6.341 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.592 6.378 -6.354 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.518 7.078 -7.214 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.236 7.251 -7.211 1.00 0.00 C ATOM 646 CE2 TYR A 45 -0.117 7.954 -8.073 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.494 8.036 -8.068 1.00 0.00 C ATOM 648 OH TYR A 45 -2.131 8.908 -8.921 1.00 0.00 O ATOM 0 H TYR A 45 1.696 6.375 -3.382 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.091 5.665 -3.992 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.558 5.550 -5.388 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.392 4.305 -5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.176 5.765 -5.683 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.596 7.015 -7.221 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.314 7.318 -7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.461 8.571 -8.745 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.465 9.387 -9.457 1.00 0.00 H new ATOM 658 N ILE A 46 -1.049 3.225 -3.422 1.00 0.00 N ATOM 659 CA ILE A 46 -1.095 1.880 -2.862 1.00 0.00 C ATOM 660 C ILE A 46 -1.680 0.888 -3.861 1.00 0.00 C ATOM 661 O ILE A 46 -2.768 1.098 -4.396 1.00 0.00 O ATOM 662 CB ILE A 46 -1.928 1.839 -1.567 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.392 2.856 -0.557 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.915 0.438 -0.974 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.456 3.410 0.364 1.00 0.00 C ATOM 0 H ILE A 46 -1.914 3.525 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.067 1.598 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.958 2.102 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.613 2.385 0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.925 3.680 -1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.508 0.425 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.339 -0.265 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.889 0.149 -0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.005 4.124 1.053 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.224 3.910 -0.226 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.907 2.595 0.930 1.00 0.00 H new ATOM 677 N TYR A 47 -0.950 -0.194 -4.107 1.00 0.00 N ATOM 678 CA TYR A 47 -1.396 -1.220 -5.043 1.00 0.00 C ATOM 679 C TYR A 47 -1.748 -2.511 -4.310 1.00 0.00 C ATOM 680 O TYR A 47 -1.104 -2.874 -3.325 1.00 0.00 O ATOM 681 CB TYR A 47 -0.312 -1.493 -6.087 1.00 0.00 C ATOM 682 CG TYR A 47 0.091 -0.268 -6.877 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.700 0.815 -6.255 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.137 -0.194 -8.245 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.069 1.936 -6.972 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.229 0.923 -8.971 1.00 0.00 C ATOM 687 CZ TYR A 47 0.832 1.985 -8.330 1.00 0.00 C ATOM 688 OH TYR A 47 1.199 3.100 -9.048 1.00 0.00 O ATOM 0 H TYR A 47 -0.047 -0.384 -3.672 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.291 -0.853 -5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.568 -1.898 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.668 -2.259 -6.776 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.888 0.779 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.609 -1.024 -8.750 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.540 2.769 -6.472 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.044 0.964 -10.034 1.00 0.00 H new ATOM 0 HH TYR A 47 1.189 2.891 -10.005 1.00 0.00 H new ATOM 698 N TYR A 48 -2.774 -3.199 -4.797 1.00 0.00 N ATOM 699 CA TYR A 48 -3.214 -4.448 -4.189 1.00 0.00 C ATOM 700 C TYR A 48 -3.903 -5.342 -5.216 1.00 0.00 C ATOM 701 O TYR A 48 -4.523 -4.855 -6.162 1.00 0.00 O ATOM 702 CB TYR A 48 -4.164 -4.166 -3.023 1.00 0.00 C ATOM 703 CG TYR A 48 -5.265 -3.186 -3.363 1.00 0.00 C ATOM 704 CD1 TYR A 48 -5.058 -1.816 -3.263 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.511 -3.632 -3.786 1.00 0.00 C ATOM 706 CE1 TYR A 48 -6.061 -0.918 -3.572 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.520 -2.741 -4.098 1.00 0.00 C ATOM 708 CZ TYR A 48 -7.290 -1.385 -3.989 1.00 0.00 C ATOM 709 OH TYR A 48 -8.291 -0.493 -4.299 1.00 0.00 O ATOM 0 H TYR A 48 -3.317 -2.912 -5.612 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.333 -4.969 -3.814 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.612 -5.104 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.589 -3.777 -2.183 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.096 -1.447 -2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.694 -4.693 -3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.884 0.144 -3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.483 -3.104 -4.425 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.900 0.385 -4.488 1.00 0.00 H new ATOM 719 N ARG A 49 -3.791 -6.652 -5.021 1.00 0.00 N ATOM 720 CA ARG A 49 -4.402 -7.614 -5.930 1.00 0.00 C ATOM 721 C ARG A 49 -4.376 -9.018 -5.332 1.00 0.00 C ATOM 722 O ARG A 49 -3.388 -9.447 -4.735 1.00 0.00 O ATOM 723 CB ARG A 49 -3.677 -7.607 -7.277 1.00 0.00 C ATOM 724 CG ARG A 49 -2.309 -8.267 -7.235 1.00 0.00 C ATOM 725 CD ARG A 49 -2.397 -9.754 -7.543 1.00 0.00 C ATOM 726 NE ARG A 49 -1.327 -10.511 -6.899 1.00 0.00 N ATOM 727 CZ ARG A 49 -0.934 -11.714 -7.301 1.00 0.00 C ATOM 728 NH1 ARG A 49 -1.519 -12.294 -8.340 1.00 0.00 N ATOM 729 NH2 ARG A 49 0.047 -12.340 -6.664 1.00 0.00 N ATOM 0 H ARG A 49 -3.283 -7.071 -4.242 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.441 -7.322 -6.084 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.295 -8.118 -8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.564 -6.577 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.649 -7.784 -7.955 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.865 -8.124 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.362 -10.136 -7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.349 -9.904 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.856 -10.093 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.273 -11.816 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.215 -13.218 -8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.500 -11.897 -5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.348 -13.264 -6.974 1.00 0.00 H new ATOM 743 N PRO A 50 -5.487 -9.752 -5.496 1.00 0.00 N ATOM 744 CA PRO A 50 -5.616 -11.118 -4.981 1.00 0.00 C ATOM 745 C PRO A 50 -4.733 -12.108 -5.733 1.00 0.00 C ATOM 746 O PRO A 50 -4.528 -11.980 -6.941 1.00 0.00 O ATOM 747 CB PRO A 50 -7.095 -11.443 -5.205 1.00 0.00 C ATOM 748 CG PRO A 50 -7.509 -10.566 -6.335 1.00 0.00 C ATOM 749 CD PRO A 50 -6.702 -9.305 -6.198 1.00 0.00 C ATOM 0 HA PRO A 50 -5.302 -11.192 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.236 -12.496 -5.449 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.684 -11.241 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.319 -11.049 -7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.577 -10.352 -6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.468 -8.870 -7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.238 -8.545 -5.630 1.00 0.00 H new ATOM 757 N THR A 51 -4.212 -13.096 -5.013 1.00 0.00 N ATOM 758 CA THR A 51 -3.351 -14.107 -5.613 1.00 0.00 C ATOM 759 C THR A 51 -4.048 -14.803 -6.776 1.00 0.00 C ATOM 760 O THR A 51 -3.397 -15.396 -7.637 1.00 0.00 O ATOM 761 CB THR A 51 -2.923 -15.166 -4.579 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.676 -15.753 -4.966 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.981 -16.251 -4.445 1.00 0.00 C ATOM 0 H THR A 51 -4.371 -13.218 -4.013 1.00 0.00 H new ATOM 0 HA THR A 51 -2.465 -13.589 -5.981 1.00 0.00 H new ATOM 0 HB THR A 51 -2.807 -14.673 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.410 -16.424 -4.303 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.656 -16.987 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.921 -15.804 -4.121 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.125 -16.740 -5.409 1.00 0.00 H new ATOM 771 N ASP A 52 -5.374 -14.727 -6.797 1.00 0.00 N ATOM 772 CA ASP A 52 -6.159 -15.348 -7.857 1.00 0.00 C ATOM 773 C ASP A 52 -5.980 -14.601 -9.175 1.00 0.00 C ATOM 774 O ASP A 52 -6.231 -15.148 -10.249 1.00 0.00 O ATOM 775 CB ASP A 52 -7.639 -15.382 -7.472 1.00 0.00 C ATOM 776 CG ASP A 52 -8.450 -16.295 -8.370 1.00 0.00 C ATOM 777 OD1 ASP A 52 -8.122 -17.497 -8.446 1.00 0.00 O ATOM 778 OD2 ASP A 52 -9.413 -15.807 -8.998 1.00 0.00 O ATOM 0 H ASP A 52 -5.928 -14.241 -6.092 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.802 -16.370 -7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.735 -15.715 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.047 -14.373 -7.521 1.00 0.00 H new ATOM 783 N SER A 53 -5.547 -13.348 -9.085 1.00 0.00 N ATOM 784 CA SER A 53 -5.339 -12.523 -10.269 1.00 0.00 C ATOM 785 C SER A 53 -4.437 -13.233 -11.274 1.00 0.00 C ATOM 786 O SER A 53 -3.961 -14.341 -11.023 1.00 0.00 O ATOM 787 CB SER A 53 -4.727 -11.177 -9.879 1.00 0.00 C ATOM 788 OG SER A 53 -5.732 -10.239 -9.535 1.00 0.00 O ATOM 0 H SER A 53 -5.333 -12.881 -8.204 1.00 0.00 H new ATOM 0 HA SER A 53 -6.309 -12.350 -10.736 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.049 -11.313 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.133 -10.791 -10.707 1.00 0.00 H new ATOM 0 HG SER A 53 -6.415 -10.219 -10.238 1.00 0.00 H new ATOM 794 N ASP A 54 -4.208 -12.588 -12.412 1.00 0.00 N ATOM 795 CA ASP A 54 -3.362 -13.156 -13.456 1.00 0.00 C ATOM 796 C ASP A 54 -1.964 -12.547 -13.414 1.00 0.00 C ATOM 797 O ASP A 54 -0.964 -13.264 -13.404 1.00 0.00 O ATOM 798 CB ASP A 54 -3.990 -12.927 -14.832 1.00 0.00 C ATOM 799 CG ASP A 54 -3.573 -13.978 -15.841 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.305 -15.126 -15.426 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.516 -13.655 -17.045 1.00 0.00 O ATOM 0 H ASP A 54 -4.596 -11.672 -12.636 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.277 -14.228 -13.277 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.076 -12.929 -14.737 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.704 -11.941 -15.199 1.00 0.00 H new ATOM 806 N ASN A 55 -1.902 -11.220 -13.389 1.00 0.00 N ATOM 807 CA ASN A 55 -0.626 -10.515 -13.350 1.00 0.00 C ATOM 808 C ASN A 55 -0.802 -9.102 -12.801 1.00 0.00 C ATOM 809 O ASN A 55 -1.920 -8.668 -12.522 1.00 0.00 O ATOM 810 CB ASN A 55 -0.008 -10.457 -14.748 1.00 0.00 C ATOM 811 CG ASN A 55 -1.056 -10.392 -15.842 1.00 0.00 C ATOM 812 OD1 ASN A 55 -1.443 -9.310 -16.282 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.522 -11.554 -16.285 1.00 0.00 N ATOM 0 H ASN A 55 -2.720 -10.611 -13.395 1.00 0.00 H new ATOM 0 HA ASN A 55 0.043 -11.063 -12.687 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.642 -9.585 -14.819 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.619 -11.335 -14.902 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.230 -11.573 -17.019 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.172 -12.427 -15.891 1.00 0.00 H new ATOM 820 N ASP A 56 0.308 -8.389 -12.651 1.00 0.00 N ATOM 821 CA ASP A 56 0.277 -7.024 -12.138 1.00 0.00 C ATOM 822 C ASP A 56 -0.798 -6.203 -12.842 1.00 0.00 C ATOM 823 O ASP A 56 -1.242 -5.174 -12.332 1.00 0.00 O ATOM 824 CB ASP A 56 1.643 -6.359 -12.315 1.00 0.00 C ATOM 825 CG ASP A 56 2.688 -6.923 -11.373 1.00 0.00 C ATOM 826 OD1 ASP A 56 2.613 -8.129 -11.057 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.581 -6.158 -10.950 1.00 0.00 O ATOM 0 H ASP A 56 1.241 -8.733 -12.877 1.00 0.00 H new ATOM 0 HA ASP A 56 0.038 -7.067 -11.075 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.977 -6.490 -13.344 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.546 -5.287 -12.146 1.00 0.00 H new ATOM 832 N SER A 57 -1.211 -6.664 -14.019 1.00 0.00 N ATOM 833 CA SER A 57 -2.230 -5.969 -14.796 1.00 0.00 C ATOM 834 C SER A 57 -3.483 -5.730 -13.959 1.00 0.00 C ATOM 835 O SER A 57 -4.339 -4.922 -14.320 1.00 0.00 O ATOM 836 CB SER A 57 -2.585 -6.775 -16.047 1.00 0.00 C ATOM 837 OG SER A 57 -1.464 -6.905 -16.905 1.00 0.00 O ATOM 0 H SER A 57 -0.856 -7.515 -14.455 1.00 0.00 H new ATOM 0 HA SER A 57 -1.826 -5.003 -15.097 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.942 -7.763 -15.758 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.400 -6.285 -16.580 1.00 0.00 H new ATOM 0 HG SER A 57 -1.145 -7.832 -16.889 1.00 0.00 H new ATOM 843 N ASP A 58 -3.583 -6.439 -12.840 1.00 0.00 N ATOM 844 CA ASP A 58 -4.731 -6.305 -11.950 1.00 0.00 C ATOM 845 C ASP A 58 -4.438 -5.307 -10.834 1.00 0.00 C ATOM 846 O ASP A 58 -5.328 -4.583 -10.386 1.00 0.00 O ATOM 847 CB ASP A 58 -5.101 -7.663 -11.353 1.00 0.00 C ATOM 848 CG ASP A 58 -6.019 -8.463 -12.257 1.00 0.00 C ATOM 849 OD1 ASP A 58 -7.248 -8.253 -12.190 1.00 0.00 O ATOM 850 OD2 ASP A 58 -5.507 -9.297 -13.032 1.00 0.00 O ATOM 0 H ASP A 58 -2.883 -7.112 -12.528 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.572 -5.933 -12.534 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.192 -8.234 -11.166 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.586 -7.512 -10.389 1.00 0.00 H new ATOM 855 N TYR A 59 -3.187 -5.276 -10.388 1.00 0.00 N ATOM 856 CA TYR A 59 -2.779 -4.369 -9.322 1.00 0.00 C ATOM 857 C TYR A 59 -3.464 -3.014 -9.466 1.00 0.00 C ATOM 858 O TYR A 59 -3.322 -2.338 -10.485 1.00 0.00 O ATOM 859 CB TYR A 59 -1.260 -4.189 -9.332 1.00 0.00 C ATOM 860 CG TYR A 59 -0.526 -5.185 -8.463 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.951 -5.454 -7.168 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.594 -5.858 -8.938 1.00 0.00 C ATOM 863 CE1 TYR A 59 -0.283 -6.363 -6.371 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.267 -6.770 -8.148 1.00 0.00 C ATOM 865 CZ TYR A 59 0.825 -7.019 -6.865 1.00 0.00 C ATOM 866 OH TYR A 59 1.494 -7.925 -6.075 1.00 0.00 O ATOM 0 H TYR A 59 -2.439 -5.868 -10.748 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.081 -4.808 -8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.899 -4.278 -10.357 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.020 -3.180 -8.996 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.819 -4.943 -6.778 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.944 -5.665 -9.941 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.627 -6.559 -5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.135 -7.285 -8.533 1.00 0.00 H new ATOM 0 HH TYR A 59 2.250 -8.298 -6.574 1.00 0.00 H new ATOM 876 N LYS A 60 -4.209 -2.623 -8.437 1.00 0.00 N ATOM 877 CA LYS A 60 -4.916 -1.348 -8.445 1.00 0.00 C ATOM 878 C LYS A 60 -4.018 -0.224 -7.940 1.00 0.00 C ATOM 879 O LYS A 60 -2.833 -0.433 -7.676 1.00 0.00 O ATOM 880 CB LYS A 60 -6.176 -1.435 -7.581 1.00 0.00 C ATOM 881 CG LYS A 60 -7.410 -1.880 -8.347 1.00 0.00 C ATOM 882 CD LYS A 60 -8.521 -2.319 -7.408 1.00 0.00 C ATOM 883 CE LYS A 60 -9.367 -3.424 -8.023 1.00 0.00 C ATOM 884 NZ LYS A 60 -8.847 -4.776 -7.679 1.00 0.00 N ATOM 0 H LYS A 60 -4.339 -3.171 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.202 -1.126 -9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.997 -2.131 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.368 -0.459 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.765 -1.062 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.149 -2.702 -9.013 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.089 -2.669 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.155 -1.465 -7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.396 -3.331 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.386 -3.307 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.450 -5.502 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.874 -4.874 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.853 -4.898 -6.646 1.00 0.00 H new ATOM 898 N LYS A 61 -4.588 0.969 -7.807 1.00 0.00 N ATOM 899 CA LYS A 61 -3.840 2.126 -7.331 1.00 0.00 C ATOM 900 C LYS A 61 -4.739 3.064 -6.533 1.00 0.00 C ATOM 901 O LYS A 61 -5.726 3.586 -7.053 1.00 0.00 O ATOM 902 CB LYS A 61 -3.220 2.879 -8.511 1.00 0.00 C ATOM 903 CG LYS A 61 -2.231 3.953 -8.094 1.00 0.00 C ATOM 904 CD LYS A 61 -1.396 4.429 -9.272 1.00 0.00 C ATOM 905 CE LYS A 61 -2.213 5.291 -10.222 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.395 5.790 -11.361 1.00 0.00 N ATOM 0 H LYS A 61 -5.567 1.160 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.045 1.769 -6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.715 2.165 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.016 3.338 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.769 4.797 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.575 3.563 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.541 4.998 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.000 3.568 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.054 4.713 -10.605 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.630 6.137 -9.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.988 6.373 -11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.607 6.363 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.017 4.983 -11.897 1.00 0.00 H new ATOM 920 N ASP A 62 -4.392 3.275 -5.268 1.00 0.00 N ATOM 921 CA ASP A 62 -5.166 4.153 -4.398 1.00 0.00 C ATOM 922 C ASP A 62 -4.291 5.265 -3.829 1.00 0.00 C ATOM 923 O ASP A 62 -3.433 5.019 -2.981 1.00 0.00 O ATOM 924 CB ASP A 62 -5.798 3.350 -3.259 1.00 0.00 C ATOM 925 CG ASP A 62 -7.150 2.778 -3.635 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.281 2.257 -4.763 1.00 0.00 O ATOM 927 OD2 ASP A 62 -8.078 2.851 -2.802 1.00 0.00 O ATOM 0 H ASP A 62 -3.579 2.850 -4.822 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.957 4.608 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.129 2.537 -2.976 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.908 3.991 -2.384 1.00 0.00 H new ATOM 932 N MET A 63 -4.512 6.487 -4.302 1.00 0.00 N ATOM 933 CA MET A 63 -3.743 7.636 -3.839 1.00 0.00 C ATOM 934 C MET A 63 -4.127 8.008 -2.410 1.00 0.00 C ATOM 935 O MET A 63 -5.253 7.765 -1.976 1.00 0.00 O ATOM 936 CB MET A 63 -3.965 8.832 -4.767 1.00 0.00 C ATOM 937 CG MET A 63 -2.811 9.821 -4.771 1.00 0.00 C ATOM 938 SD MET A 63 -2.810 10.894 -3.321 1.00 0.00 S ATOM 939 CE MET A 63 -4.187 11.975 -3.701 1.00 0.00 C ATOM 0 H MET A 63 -5.217 6.707 -5.005 1.00 0.00 H new ATOM 0 HA MET A 63 -2.687 7.365 -3.853 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.125 8.469 -5.782 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.876 9.350 -4.467 1.00 0.00 H new ATOM 0 HG2 MET A 63 -1.869 9.274 -4.814 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.865 10.433 -5.671 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.115 12.881 -3.100 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.162 12.238 -4.758 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.123 11.464 -3.477 1.00 0.00 H new ATOM 949 N VAL A 64 -3.183 8.598 -1.684 1.00 0.00 N ATOM 950 CA VAL A 64 -3.423 9.004 -0.304 1.00 0.00 C ATOM 951 C VAL A 64 -2.744 10.333 0.004 1.00 0.00 C ATOM 952 O VAL A 64 -1.651 10.612 -0.490 1.00 0.00 O ATOM 953 CB VAL A 64 -2.919 7.940 0.690 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.394 8.258 2.099 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.378 6.554 0.264 1.00 0.00 C ATOM 0 H VAL A 64 -2.245 8.805 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.501 9.115 -0.190 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.829 7.953 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.028 7.496 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.011 9.233 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.484 8.274 2.121 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.013 5.815 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.467 6.524 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.983 6.328 -0.727 1.00 0.00 H new ATOM 965 N GLU A 65 -3.398 11.150 0.824 1.00 0.00 N ATOM 966 CA GLU A 65 -2.856 12.452 1.197 1.00 0.00 C ATOM 967 C GLU A 65 -1.364 12.352 1.503 1.00 0.00 C ATOM 968 O GLU A 65 -0.896 11.353 2.048 1.00 0.00 O ATOM 969 CB GLU A 65 -3.601 13.010 2.411 1.00 0.00 C ATOM 970 CG GLU A 65 -5.064 12.604 2.467 1.00 0.00 C ATOM 971 CD GLU A 65 -5.769 12.776 1.136 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.721 11.838 0.313 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.368 13.850 0.917 1.00 0.00 O ATOM 0 H GLU A 65 -4.303 10.934 1.242 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.992 13.129 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.103 12.671 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.535 14.098 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.136 11.562 2.780 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.574 13.200 3.224 1.00 0.00 H new ATOM 980 N GLY A 66 -0.622 13.397 1.148 1.00 0.00 N ATOM 981 CA GLY A 66 0.809 13.408 1.392 1.00 0.00 C ATOM 982 C GLY A 66 1.145 13.410 2.870 1.00 0.00 C ATOM 983 O GLY A 66 2.214 12.948 3.271 1.00 0.00 O ATOM 0 H GLY A 66 -0.986 14.236 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.262 12.535 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.248 14.288 0.922 1.00 0.00 H new ATOM 987 N ASP A 67 0.232 13.931 3.682 1.00 0.00 N ATOM 988 CA ASP A 67 0.437 13.992 5.124 1.00 0.00 C ATOM 989 C ASP A 67 -0.064 12.719 5.799 1.00 0.00 C ATOM 990 O ASP A 67 0.138 12.518 6.996 1.00 0.00 O ATOM 991 CB ASP A 67 -0.277 15.210 5.712 1.00 0.00 C ATOM 992 CG ASP A 67 0.352 16.518 5.271 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.517 16.770 5.642 1.00 0.00 O ATOM 994 OD2 ASP A 67 -0.322 17.289 4.555 1.00 0.00 O ATOM 0 H ASP A 67 -0.658 14.317 3.366 1.00 0.00 H new ATOM 0 HA ASP A 67 1.507 14.083 5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.324 15.194 5.411 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.257 15.149 6.800 1.00 0.00 H new ATOM 999 N ARG A 68 -0.721 11.863 5.022 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.254 10.611 5.545 1.00 0.00 C ATOM 1001 C ARG A 68 -0.237 9.483 5.395 1.00 0.00 C ATOM 1002 O ARG A 68 0.341 9.293 4.325 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.551 10.242 4.822 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.445 9.304 5.616 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.197 10.044 6.711 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.431 10.648 6.216 1.00 0.00 N ATOM 1007 CZ ARG A 68 -5.506 11.891 5.754 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -4.425 12.657 5.722 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -6.666 12.369 5.320 1.00 0.00 N ATOM 0 H ARG A 68 -0.897 12.014 4.029 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.464 10.750 6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.104 11.154 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.305 9.775 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.157 8.824 4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.841 8.512 6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.431 9.353 7.521 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.556 10.820 7.130 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.281 10.085 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.532 12.292 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.486 13.611 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.500 11.782 5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.724 13.324 4.965 1.00 0.00 H new ATOM 1023 N TYR A 69 -0.025 8.738 6.474 1.00 0.00 N ATOM 1024 CA TYR A 69 0.924 7.631 6.464 1.00 0.00 C ATOM 1025 C TYR A 69 0.212 6.301 6.697 1.00 0.00 C ATOM 1026 O TYR A 69 0.851 5.275 6.929 1.00 0.00 O ATOM 1027 CB TYR A 69 1.997 7.841 7.533 1.00 0.00 C ATOM 1028 CG TYR A 69 3.177 8.657 7.055 1.00 0.00 C ATOM 1029 CD1 TYR A 69 2.990 9.843 6.357 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.480 8.240 7.301 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.065 10.591 5.917 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.561 8.982 6.866 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.349 10.156 6.174 1.00 0.00 C ATOM 1034 OH TYR A 69 6.422 10.899 5.739 1.00 0.00 O ATOM 0 H TYR A 69 -0.497 8.880 7.367 1.00 0.00 H new ATOM 0 HA TYR A 69 1.399 7.602 5.483 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.548 8.337 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.353 6.869 7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.986 10.187 6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.650 7.320 7.841 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.901 11.511 5.375 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.567 8.644 7.067 1.00 0.00 H new ATOM 0 HH TYR A 69 7.048 11.036 6.481 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.114 6.329 6.632 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.914 5.126 6.835 1.00 0.00 C ATOM 1046 C TRP A 70 -3.096 5.090 5.872 1.00 0.00 C ATOM 1047 O TRP A 70 -3.634 6.132 5.496 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.413 5.059 8.279 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.608 5.926 8.535 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.611 7.176 9.087 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -4.975 5.608 8.251 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.898 7.653 9.163 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.753 6.710 8.656 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.618 4.500 7.693 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.138 6.734 8.520 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -6.993 4.524 7.559 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.741 5.635 7.970 1.00 0.00 C ATOM 0 H TRP A 70 -1.658 7.170 6.441 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.282 4.260 6.637 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.664 4.026 8.522 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.606 5.357 8.949 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.732 7.710 9.415 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.172 8.562 9.536 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.050 3.639 7.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.716 7.589 8.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.500 3.672 7.130 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.814 5.624 7.851 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.496 3.886 5.478 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.616 3.715 4.559 1.00 0.00 C ATOM 1070 C HIS A 71 -5.325 2.387 4.808 1.00 0.00 C ATOM 1071 O HIS A 71 -4.697 1.398 5.183 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.130 3.783 3.111 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.240 3.761 2.105 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -5.550 2.855 1.149 1.00 0.00 N flip ATOM 1075 CD2 HIS A 71 -6.187 4.758 2.007 1.00 0.00 C flip ATOM 1076 CE1 HIS A 71 -6.668 3.316 0.498 1.00 0.00 C flip ATOM 1077 NE2 HIS A 71 -7.033 4.466 1.035 1.00 0.00 N flip ATOM 0 H HIS A 71 -3.062 3.014 5.780 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.325 4.524 4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.545 4.693 2.975 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.462 2.943 2.921 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.231 5.640 2.628 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.168 2.819 -0.320 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.832 5.032 0.748 1.00 0.00 H new ATOM 1086 N SER A 72 -6.637 2.374 4.597 1.00 0.00 N ATOM 1087 CA SER A 72 -7.433 1.170 4.803 1.00 0.00 C ATOM 1088 C SER A 72 -8.055 0.699 3.493 1.00 0.00 C ATOM 1089 O SER A 72 -9.026 1.282 3.009 1.00 0.00 O ATOM 1090 CB SER A 72 -8.530 1.428 5.838 1.00 0.00 C ATOM 1091 OG SER A 72 -9.462 2.384 5.365 1.00 0.00 O ATOM 0 H SER A 72 -7.172 3.184 4.283 1.00 0.00 H new ATOM 0 HA SER A 72 -6.772 0.387 5.173 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.045 0.495 6.067 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.082 1.781 6.767 1.00 0.00 H new ATOM 0 HG SER A 72 -9.591 2.266 4.401 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.489 -0.359 2.923 1.00 0.00 N ATOM 1098 CA ILE A 73 -7.988 -0.910 1.669 1.00 0.00 C ATOM 1099 C ILE A 73 -9.313 -1.636 1.876 1.00 0.00 C ATOM 1100 O ILE A 73 -9.542 -2.244 2.921 1.00 0.00 O ATOM 1101 CB ILE A 73 -6.975 -1.884 1.039 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.577 -1.263 1.027 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.406 -2.258 -0.372 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.468 -2.273 0.831 1.00 0.00 C ATOM 0 H ILE A 73 -6.684 -0.852 3.310 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.139 -0.068 0.993 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.944 -2.792 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.525 -0.520 0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.415 -0.735 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.680 -2.947 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.385 -2.736 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.462 -1.359 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.505 -1.761 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.493 -3.003 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.605 -2.784 -0.122 1.00 0.00 H new ATOM 1116 N SER A 74 -10.181 -1.568 0.872 1.00 0.00 N ATOM 1117 CA SER A 74 -11.485 -2.217 0.944 1.00 0.00 C ATOM 1118 C SER A 74 -11.802 -2.946 -0.358 1.00 0.00 C ATOM 1119 O SER A 74 -11.002 -2.946 -1.294 1.00 0.00 O ATOM 1120 CB SER A 74 -12.576 -1.187 1.243 1.00 0.00 C ATOM 1121 OG SER A 74 -12.161 -0.284 2.254 1.00 0.00 O ATOM 0 H SER A 74 -10.005 -1.070 -0.001 1.00 0.00 H new ATOM 0 HA SER A 74 -11.454 -2.948 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.818 -0.635 0.335 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.486 -1.697 1.558 1.00 0.00 H new ATOM 0 HG SER A 74 -12.875 0.365 2.426 1.00 0.00 H new ATOM 1127 N HIS A 75 -12.975 -3.568 -0.411 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.400 -4.302 -1.598 1.00 0.00 C ATOM 1129 C HIS A 75 -12.433 -5.440 -1.908 1.00 0.00 C ATOM 1130 O HIS A 75 -12.024 -5.627 -3.055 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.497 -3.359 -2.798 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.526 -2.283 -2.632 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -14.931 -1.607 -1.531 1.00 0.00 N flip ATOM 1134 CD2 HIS A 75 -15.274 -1.788 -3.680 1.00 0.00 C flip ATOM 1135 CE1 HIS A 75 -15.904 -0.725 -1.930 1.00 0.00 C flip ATOM 1136 NE2 HIS A 75 -16.092 -0.854 -3.231 1.00 0.00 N flip ATOM 0 H HIS A 75 -13.649 -3.579 0.355 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.383 -4.728 -1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.524 -2.897 -2.966 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.732 -3.941 -3.689 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.202 -2.114 -4.707 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -16.430 -0.037 -1.285 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.756 -0.322 -3.793 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.069 -6.198 -0.879 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.149 -7.318 -1.041 1.00 0.00 C ATOM 1147 C LEU A 76 -11.856 -8.645 -0.784 1.00 0.00 C ATOM 1148 O LEU A 76 -13.049 -8.675 -0.484 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.960 -7.168 -0.091 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.317 -5.782 -0.034 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.686 -5.542 1.329 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.280 -5.629 -1.138 1.00 0.00 C ATOM 0 H LEU A 76 -12.397 -6.057 0.076 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.787 -7.314 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.287 -7.436 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.196 -7.889 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.096 -5.035 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.233 -4.551 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.452 -5.608 2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.920 -6.295 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.833 -4.637 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.504 -6.384 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.760 -5.756 -2.108 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.111 -9.739 -0.901 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.666 -11.069 -0.679 1.00 0.00 C ATOM 1166 C GLN A 77 -11.400 -11.540 0.747 1.00 0.00 C ATOM 1167 O GLN A 77 -10.353 -11.264 1.332 1.00 0.00 O ATOM 1168 CB GLN A 77 -11.073 -12.065 -1.677 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.259 -11.656 -3.129 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.416 -12.482 -4.080 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -10.073 -11.901 -5.224 1.00 0.00 O flip ATOM 1172 NE2 GLN A 77 -10.076 -13.630 -3.791 1.00 0.00 N flip ATOM 0 H GLN A 77 -10.121 -9.731 -1.148 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.744 -11.014 -0.828 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.008 -12.179 -1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.534 -13.040 -1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.310 -11.758 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.001 -10.603 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.362 -14.038 -2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.509 -14.173 -4.442 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.370 -12.267 1.321 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.263 -12.791 2.686 1.00 0.00 C ATOM 1183 C PRO A 78 -11.227 -13.903 2.800 1.00 0.00 C ATOM 1184 O PRO A 78 -10.974 -14.629 1.839 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.666 -13.336 2.967 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.226 -13.652 1.623 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.645 -12.633 0.683 1.00 0.00 C ATOM 0 HA PRO A 78 -11.938 -12.027 3.392 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.627 -14.224 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.279 -12.601 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.958 -14.663 1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.315 -13.599 1.631 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.491 -13.047 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.301 -11.770 0.571 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.631 -14.031 3.982 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.621 -15.056 4.220 1.00 0.00 C ATOM 1197 C GLU A 79 -8.807 -15.322 2.957 1.00 0.00 C ATOM 1198 O GLU A 79 -8.509 -16.470 2.626 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.280 -16.352 4.697 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.623 -16.629 4.043 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.069 -18.068 4.213 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -12.743 -18.364 5.221 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -11.745 -18.897 3.338 1.00 0.00 O ATOM 0 H GLU A 79 -10.830 -13.439 4.788 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.947 -14.692 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.608 -17.187 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.415 -16.305 5.778 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.375 -15.966 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.560 -16.395 2.980 1.00 0.00 H new ATOM 1210 N THR A 80 -8.450 -14.252 2.253 1.00 0.00 N ATOM 1211 CA THR A 80 -7.673 -14.368 1.026 1.00 0.00 C ATOM 1212 C THR A 80 -6.261 -13.827 1.216 1.00 0.00 C ATOM 1213 O THR A 80 -6.061 -12.620 1.349 1.00 0.00 O ATOM 1214 CB THR A 80 -8.346 -13.616 -0.138 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.699 -14.058 -0.290 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.586 -13.840 -1.437 1.00 0.00 C ATOM 0 H THR A 80 -8.687 -13.295 2.513 1.00 0.00 H new ATOM 0 HA THR A 80 -7.623 -15.429 0.783 1.00 0.00 H new ATOM 0 HB THR A 80 -8.336 -12.551 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.182 -13.929 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.079 -13.300 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.564 -13.476 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.569 -14.905 -1.670 1.00 0.00 H new ATOM 1224 N SER A 81 -5.283 -14.728 1.228 1.00 0.00 N ATOM 1225 CA SER A 81 -3.889 -14.341 1.405 1.00 0.00 C ATOM 1226 C SER A 81 -3.284 -13.869 0.087 1.00 0.00 C ATOM 1227 O SER A 81 -2.997 -14.672 -0.801 1.00 0.00 O ATOM 1228 CB SER A 81 -3.078 -15.515 1.960 1.00 0.00 C ATOM 1229 OG SER A 81 -1.952 -15.057 2.688 1.00 0.00 O ATOM 0 H SER A 81 -5.431 -15.731 1.117 1.00 0.00 H new ATOM 0 HA SER A 81 -3.855 -13.516 2.116 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.710 -16.124 2.606 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.750 -16.154 1.140 1.00 0.00 H new ATOM 0 HG SER A 81 -1.451 -15.825 3.034 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.094 -12.560 -0.034 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.526 -11.978 -1.244 1.00 0.00 C ATOM 1237 C TYR A 82 -1.420 -10.984 -0.904 1.00 0.00 C ATOM 1238 O TYR A 82 -1.367 -10.453 0.206 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.617 -11.285 -2.062 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.502 -10.374 -1.242 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.070 -9.108 -0.864 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.770 -10.779 -0.844 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.875 -8.273 -0.114 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.582 -9.949 -0.095 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.130 -8.697 0.267 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.936 -7.869 1.014 1.00 0.00 O ATOM 0 H TYR A 82 -3.325 -11.881 0.692 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.094 -12.785 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.150 -10.704 -2.857 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.236 -12.043 -2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.088 -8.771 -1.162 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.127 -11.759 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.523 -7.293 0.172 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.566 -10.279 0.205 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.825 -8.271 1.102 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.539 -10.736 -1.867 1.00 0.00 N ATOM 1257 CA ASP A 83 0.565 -9.804 -1.672 1.00 0.00 C ATOM 1258 C ASP A 83 0.080 -8.361 -1.759 1.00 0.00 C ATOM 1259 O ASP A 83 -0.897 -8.064 -2.447 1.00 0.00 O ATOM 1260 CB ASP A 83 1.659 -10.052 -2.713 1.00 0.00 C ATOM 1261 CG ASP A 83 2.520 -11.252 -2.373 1.00 0.00 C ATOM 1262 OD1 ASP A 83 3.385 -11.129 -1.481 1.00 0.00 O ATOM 1263 OD2 ASP A 83 2.329 -12.315 -2.999 1.00 0.00 O ATOM 0 H ASP A 83 -0.568 -11.168 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 83 0.977 -9.970 -0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.199 -10.203 -3.690 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.290 -9.166 -2.791 1.00 0.00 H new ATOM 1268 N ILE A 84 0.768 -7.467 -1.056 1.00 0.00 N ATOM 1269 CA ILE A 84 0.407 -6.055 -1.054 1.00 0.00 C ATOM 1270 C ILE A 84 1.649 -5.170 -1.068 1.00 0.00 C ATOM 1271 O ILE A 84 2.679 -5.516 -0.488 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.452 -5.695 0.172 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.747 -6.511 0.171 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.758 -4.205 0.186 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.307 -6.756 1.555 1.00 0.00 C ATOM 0 H ILE A 84 1.579 -7.696 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.174 -5.877 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 84 0.109 -5.939 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.494 -5.991 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.562 -7.470 -0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.366 -3.967 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.175 -3.642 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.302 -3.937 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.224 -7.340 1.478 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.577 -7.304 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.524 -5.801 2.034 1.00 0.00 H new ATOM 1287 N LYS A 85 1.545 -4.025 -1.733 1.00 0.00 N ATOM 1288 CA LYS A 85 2.658 -3.087 -1.821 1.00 0.00 C ATOM 1289 C LYS A 85 2.157 -1.670 -2.083 1.00 0.00 C ATOM 1290 O LYS A 85 0.980 -1.463 -2.377 1.00 0.00 O ATOM 1291 CB LYS A 85 3.623 -3.511 -2.931 1.00 0.00 C ATOM 1292 CG LYS A 85 3.001 -3.496 -4.316 1.00 0.00 C ATOM 1293 CD LYS A 85 4.058 -3.593 -5.403 1.00 0.00 C ATOM 1294 CE LYS A 85 3.521 -4.292 -6.643 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.739 -5.764 -6.587 1.00 0.00 N ATOM 0 H LYS A 85 0.701 -3.724 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 85 3.184 -3.097 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.487 -2.847 -2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.990 -4.515 -2.718 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.303 -4.327 -4.411 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.426 -2.580 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.402 -2.593 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.923 -4.137 -5.023 1.00 0.00 H new ATOM 0 HE2 LYS A 85 2.455 -4.086 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.009 -3.886 -7.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.472 -6.033 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.046 -6.033 -5.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.852 -6.255 -6.817 1.00 0.00 H new ATOM 1309 N MET A 86 3.057 -0.699 -1.975 1.00 0.00 N ATOM 1310 CA MET A 86 2.705 0.698 -2.203 1.00 0.00 C ATOM 1311 C MET A 86 3.907 1.484 -2.719 1.00 0.00 C ATOM 1312 O MET A 86 5.040 1.008 -2.663 1.00 0.00 O ATOM 1313 CB MET A 86 2.182 1.331 -0.913 1.00 0.00 C ATOM 1314 CG MET A 86 3.237 1.452 0.175 1.00 0.00 C ATOM 1315 SD MET A 86 2.828 2.710 1.401 1.00 0.00 S ATOM 1316 CE MET A 86 2.449 4.104 0.342 1.00 0.00 C ATOM 0 H MET A 86 4.035 -0.853 -1.731 1.00 0.00 H new ATOM 0 HA MET A 86 1.920 0.731 -2.959 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.788 2.322 -1.138 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.350 0.735 -0.537 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.353 0.489 0.673 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.198 1.693 -0.281 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.712 5.031 0.852 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.020 4.024 -0.583 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.384 4.107 0.111 1.00 0.00 H new ATOM 1326 N GLN A 87 3.650 2.687 -3.220 1.00 0.00 N ATOM 1327 CA GLN A 87 4.711 3.538 -3.747 1.00 0.00 C ATOM 1328 C GLN A 87 4.301 5.006 -3.708 1.00 0.00 C ATOM 1329 O GLN A 87 3.127 5.338 -3.881 1.00 0.00 O ATOM 1330 CB GLN A 87 5.057 3.130 -5.180 1.00 0.00 C ATOM 1331 CG GLN A 87 5.987 4.105 -5.882 1.00 0.00 C ATOM 1332 CD GLN A 87 5.839 4.070 -7.391 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.596 3.391 -8.085 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.859 4.802 -7.907 1.00 0.00 N ATOM 0 H GLN A 87 2.717 3.095 -3.272 1.00 0.00 H new ATOM 0 HA GLN A 87 5.592 3.409 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.521 2.144 -5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.136 3.041 -5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.786 5.115 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.018 3.873 -5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.255 5.350 -7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.710 4.816 -8.916 1.00 0.00 H new ATOM 1343 N CYS A 88 5.274 5.881 -3.481 1.00 0.00 N ATOM 1344 CA CYS A 88 5.015 7.315 -3.419 1.00 0.00 C ATOM 1345 C CYS A 88 5.343 7.985 -4.749 1.00 0.00 C ATOM 1346 O CYS A 88 6.019 7.404 -5.599 1.00 0.00 O ATOM 1347 CB CYS A 88 5.833 7.954 -2.296 1.00 0.00 C ATOM 1348 SG CYS A 88 7.563 8.258 -2.724 1.00 0.00 S ATOM 0 H CYS A 88 6.250 5.622 -3.337 1.00 0.00 H new ATOM 0 HA CYS A 88 3.954 7.459 -3.213 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.368 8.899 -2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.795 7.307 -1.420 1.00 0.00 H new ATOM 0 HG CYS A 88 8.171 8.801 -1.712 1.00 0.00 H new ATOM 1354 N PHE A 89 4.859 9.211 -4.924 1.00 0.00 N ATOM 1355 CA PHE A 89 5.099 9.959 -6.152 1.00 0.00 C ATOM 1356 C PHE A 89 4.965 11.460 -5.909 1.00 0.00 C ATOM 1357 O PHE A 89 4.452 11.889 -4.876 1.00 0.00 O ATOM 1358 CB PHE A 89 4.121 9.518 -7.243 1.00 0.00 C ATOM 1359 CG PHE A 89 2.703 9.938 -6.982 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.006 9.434 -5.895 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.066 10.836 -7.823 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.701 9.819 -5.652 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.761 11.225 -7.584 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.077 10.714 -6.498 1.00 0.00 C ATOM 0 H PHE A 89 4.299 9.707 -4.231 1.00 0.00 H new ATOM 0 HA PHE A 89 6.117 9.751 -6.481 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.444 9.932 -8.198 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.159 8.433 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.488 8.732 -5.230 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.595 11.237 -8.675 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.170 9.420 -4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.277 11.928 -8.246 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.944 11.014 -6.311 1.00 0.00 H new ATOM 1374 N ASN A 90 5.430 12.253 -6.869 1.00 0.00 N ATOM 1375 CA ASN A 90 5.363 13.705 -6.760 1.00 0.00 C ATOM 1376 C ASN A 90 5.567 14.363 -8.122 1.00 0.00 C ATOM 1377 O ASN A 90 5.786 13.683 -9.123 1.00 0.00 O ATOM 1378 CB ASN A 90 6.416 14.212 -5.773 1.00 0.00 C ATOM 1379 CG ASN A 90 7.766 14.428 -6.429 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.101 13.774 -7.416 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.550 15.349 -5.880 1.00 0.00 N ATOM 0 H ASN A 90 5.857 11.914 -7.731 1.00 0.00 H new ATOM 0 HA ASN A 90 4.372 13.972 -6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.075 15.149 -5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 90 6.521 13.496 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.471 15.537 -6.277 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.231 15.868 -5.062 1.00 0.00 H new ATOM 1388 N GLU A 91 5.494 15.690 -8.149 1.00 0.00 N ATOM 1389 CA GLU A 91 5.671 16.439 -9.387 1.00 0.00 C ATOM 1390 C GLU A 91 6.850 15.894 -10.189 1.00 0.00 C ATOM 1391 O GLU A 91 6.811 15.850 -11.418 1.00 0.00 O ATOM 1392 CB GLU A 91 5.889 17.924 -9.085 1.00 0.00 C ATOM 1393 CG GLU A 91 6.240 18.749 -10.311 1.00 0.00 C ATOM 1394 CD GLU A 91 5.130 18.762 -11.343 1.00 0.00 C ATOM 1395 OE1 GLU A 91 4.714 17.669 -11.782 1.00 0.00 O ATOM 1396 OE2 GLU A 91 4.677 19.866 -11.713 1.00 0.00 O ATOM 0 H GLU A 91 5.314 16.268 -7.328 1.00 0.00 H new ATOM 0 HA GLU A 91 4.765 16.326 -9.982 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.985 18.330 -8.631 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.688 18.023 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.459 19.772 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.148 18.351 -10.764 1.00 0.00 H new ATOM 1403 N GLY A 92 7.898 15.481 -9.483 1.00 0.00 N ATOM 1404 CA GLY A 92 9.073 14.945 -10.145 1.00 0.00 C ATOM 1405 C GLY A 92 8.802 13.616 -10.822 1.00 0.00 C ATOM 1406 O GLY A 92 8.941 13.492 -12.038 1.00 0.00 O ATOM 0 H GLY A 92 7.954 15.508 -8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.427 15.661 -10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.873 14.821 -9.415 1.00 0.00 H new ATOM 1410 N GLY A 93 8.415 12.619 -10.032 1.00 0.00 N ATOM 1411 CA GLY A 93 8.132 11.306 -10.581 1.00 0.00 C ATOM 1412 C GLY A 93 7.785 10.292 -9.508 1.00 0.00 C ATOM 1413 O GLY A 93 7.767 10.617 -8.321 1.00 0.00 O ATOM 0 H GLY A 93 8.293 12.697 -9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.305 11.381 -11.287 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.999 10.955 -11.142 1.00 0.00 H new ATOM 1417 N GLU A 94 7.506 9.062 -9.927 1.00 0.00 N ATOM 1418 CA GLU A 94 7.156 7.998 -8.993 1.00 0.00 C ATOM 1419 C GLU A 94 8.408 7.376 -8.382 1.00 0.00 C ATOM 1420 O GLU A 94 9.436 7.245 -9.046 1.00 0.00 O ATOM 1421 CB GLU A 94 6.330 6.921 -9.698 1.00 0.00 C ATOM 1422 CG GLU A 94 4.859 7.276 -9.840 1.00 0.00 C ATOM 1423 CD GLU A 94 4.187 6.536 -10.980 1.00 0.00 C ATOM 1424 OE1 GLU A 94 4.667 5.440 -11.339 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.183 7.052 -11.512 1.00 0.00 O ATOM 0 H GLU A 94 7.515 8.778 -10.906 1.00 0.00 H new ATOM 0 HA GLU A 94 6.561 8.435 -8.191 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.749 6.744 -10.688 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.418 5.987 -9.143 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.342 7.046 -8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.762 8.350 -10.002 1.00 0.00 H new ATOM 1432 N SER A 95 8.313 6.995 -7.112 1.00 0.00 N ATOM 1433 CA SER A 95 9.439 6.391 -6.409 1.00 0.00 C ATOM 1434 C SER A 95 9.489 4.886 -6.656 1.00 0.00 C ATOM 1435 O SER A 95 8.705 4.349 -7.438 1.00 0.00 O ATOM 1436 CB SER A 95 9.339 6.670 -4.908 1.00 0.00 C ATOM 1437 OG SER A 95 8.294 5.916 -4.317 1.00 0.00 O ATOM 0 H SER A 95 7.468 7.094 -6.549 1.00 0.00 H new ATOM 0 HA SER A 95 10.357 6.836 -6.794 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.285 6.426 -4.426 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.163 7.733 -4.744 1.00 0.00 H new ATOM 0 HG SER A 95 7.906 6.422 -3.573 1.00 0.00 H new ATOM 1443 N GLU A 96 10.416 4.213 -5.982 1.00 0.00 N ATOM 1444 CA GLU A 96 10.570 2.770 -6.129 1.00 0.00 C ATOM 1445 C GLU A 96 9.363 2.033 -5.555 1.00 0.00 C ATOM 1446 O GLU A 96 8.594 2.594 -4.773 1.00 0.00 O ATOM 1447 CB GLU A 96 11.848 2.297 -5.435 1.00 0.00 C ATOM 1448 CG GLU A 96 13.121 2.817 -6.082 1.00 0.00 C ATOM 1449 CD GLU A 96 13.438 2.118 -7.389 1.00 0.00 C ATOM 1450 OE1 GLU A 96 13.901 0.959 -7.346 1.00 0.00 O ATOM 1451 OE2 GLU A 96 13.222 2.730 -8.457 1.00 0.00 O ATOM 0 H GLU A 96 11.071 4.643 -5.329 1.00 0.00 H new ATOM 0 HA GLU A 96 10.639 2.545 -7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.824 2.615 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.869 1.207 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.022 3.888 -6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.955 2.685 -5.392 1.00 0.00 H new ATOM 1458 N PHE A 97 9.204 0.774 -5.948 1.00 0.00 N ATOM 1459 CA PHE A 97 8.091 -0.040 -5.474 1.00 0.00 C ATOM 1460 C PHE A 97 8.389 -0.619 -4.094 1.00 0.00 C ATOM 1461 O PHE A 97 9.250 -1.486 -3.945 1.00 0.00 O ATOM 1462 CB PHE A 97 7.802 -1.172 -6.462 1.00 0.00 C ATOM 1463 CG PHE A 97 6.966 -0.745 -7.634 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.239 0.438 -8.303 1.00 0.00 C ATOM 1465 CD2 PHE A 97 5.907 -1.525 -8.068 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.472 0.834 -9.383 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.137 -1.135 -9.147 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.419 0.047 -9.805 1.00 0.00 C ATOM 0 H PHE A 97 9.832 0.295 -6.594 1.00 0.00 H new ATOM 0 HA PHE A 97 7.212 0.600 -5.398 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.747 -1.575 -6.827 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.292 -1.980 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 97 8.061 1.058 -7.977 1.00 0.00 H new ATOM 0 HD2 PHE A 97 5.680 -2.449 -7.557 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.696 1.758 -9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.315 -1.754 -9.476 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.817 0.354 -10.647 1.00 0.00 H new ATOM 1478 N SER A 98 7.672 -0.131 -3.086 1.00 0.00 N ATOM 1479 CA SER A 98 7.862 -0.596 -1.717 1.00 0.00 C ATOM 1480 C SER A 98 7.953 -2.118 -1.668 1.00 0.00 C ATOM 1481 O SER A 98 7.649 -2.801 -2.645 1.00 0.00 O ATOM 1482 CB SER A 98 6.714 -0.113 -0.828 1.00 0.00 C ATOM 1483 OG SER A 98 6.930 -0.474 0.525 1.00 0.00 O ATOM 0 H SER A 98 6.954 0.586 -3.192 1.00 0.00 H new ATOM 0 HA SER A 98 8.799 -0.181 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.619 0.970 -0.908 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.775 -0.542 -1.177 1.00 0.00 H new ATOM 0 HG SER A 98 7.255 0.305 1.023 1.00 0.00 H new ATOM 1489 N ASN A 99 8.373 -2.643 -0.521 1.00 0.00 N ATOM 1490 CA ASN A 99 8.505 -4.084 -0.343 1.00 0.00 C ATOM 1491 C ASN A 99 7.149 -4.773 -0.456 1.00 0.00 C ATOM 1492 O ASN A 99 6.108 -4.115 -0.498 1.00 0.00 O ATOM 1493 CB ASN A 99 9.137 -4.395 1.015 1.00 0.00 C ATOM 1494 CG ASN A 99 8.101 -4.560 2.110 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.402 -3.477 2.431 1.00 0.00 O flip ATOM 1496 ND2 ASN A 99 7.931 -5.648 2.661 1.00 0.00 N flip ATOM 0 H ASN A 99 8.628 -2.092 0.299 1.00 0.00 H new ATOM 0 HA ASN A 99 9.152 -4.465 -1.133 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.728 -5.307 0.937 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.823 -3.593 1.286 1.00 0.00 H new ATOM 0 HD21 ASN A 99 8.491 -6.454 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.230 -5.743 3.396 1.00 0.00 H new ATOM 1503 N VAL A 100 7.167 -6.101 -0.502 1.00 0.00 N ATOM 1504 CA VAL A 100 5.939 -6.880 -0.608 1.00 0.00 C ATOM 1505 C VAL A 100 5.512 -7.419 0.753 1.00 0.00 C ATOM 1506 O VAL A 100 6.232 -8.196 1.378 1.00 0.00 O ATOM 1507 CB VAL A 100 6.104 -8.058 -1.586 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.805 -8.840 -1.703 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.559 -7.559 -2.949 1.00 0.00 C ATOM 0 H VAL A 100 8.019 -6.660 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 100 5.169 -6.208 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 100 6.870 -8.728 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.940 -9.669 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.525 -9.230 -0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.017 -8.183 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.670 -8.405 -3.627 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.817 -6.868 -3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.516 -7.046 -2.848 1.00 0.00 H new ATOM 1519 N MET A 101 4.334 -7.000 1.206 1.00 0.00 N ATOM 1520 CA MET A 101 3.810 -7.443 2.492 1.00 0.00 C ATOM 1521 C MET A 101 2.585 -8.332 2.303 1.00 0.00 C ATOM 1522 O MET A 101 1.591 -7.916 1.707 1.00 0.00 O ATOM 1523 CB MET A 101 3.450 -6.237 3.363 1.00 0.00 C ATOM 1524 CG MET A 101 4.596 -5.256 3.545 1.00 0.00 C ATOM 1525 SD MET A 101 5.855 -5.861 4.685 1.00 0.00 S ATOM 1526 CE MET A 101 5.063 -5.548 6.260 1.00 0.00 C ATOM 0 H MET A 101 3.726 -6.355 0.702 1.00 0.00 H new ATOM 0 HA MET A 101 4.585 -8.024 2.991 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.604 -5.716 2.916 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.126 -6.590 4.342 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.055 -5.056 2.577 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.203 -4.309 3.914 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.695 -4.895 6.862 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.099 -5.067 6.093 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.911 -6.491 6.785 1.00 0.00 H new ATOM 1536 N ILE A 102 2.663 -9.556 2.813 1.00 0.00 N ATOM 1537 CA ILE A 102 1.560 -10.503 2.700 1.00 0.00 C ATOM 1538 C ILE A 102 0.618 -10.394 3.895 1.00 0.00 C ATOM 1539 O ILE A 102 0.914 -10.897 4.979 1.00 0.00 O ATOM 1540 CB ILE A 102 2.070 -11.952 2.594 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.970 -12.110 1.366 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.900 -12.922 2.529 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.814 -13.365 1.393 1.00 0.00 C ATOM 0 H ILE A 102 3.479 -9.916 3.309 1.00 0.00 H new ATOM 0 HA ILE A 102 1.019 -10.250 1.788 1.00 0.00 H new ATOM 0 HB ILE A 102 2.657 -12.181 3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.350 -12.118 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.626 -11.242 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.277 -13.942 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.295 -12.824 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.288 -12.696 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.426 -13.411 0.492 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.460 -13.350 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.165 -14.239 1.435 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.517 -9.735 3.687 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.504 -9.561 4.747 1.00 0.00 C ATOM 1557 C CYS A 103 -2.767 -10.363 4.450 1.00 0.00 C ATOM 1558 O CYS A 103 -3.474 -10.089 3.481 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.852 -8.081 4.910 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.589 -7.667 6.509 1.00 0.00 S ATOM 0 H CYS A 103 -0.776 -9.313 2.795 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.071 -9.930 5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.947 -7.489 4.775 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.543 -7.792 4.118 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.846 -6.393 6.552 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.044 -11.354 5.291 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.221 -12.197 5.117 1.00 0.00 C ATOM 1568 C GLU A 104 -5.457 -11.538 5.722 1.00 0.00 C ATOM 1569 O GLU A 104 -5.461 -11.154 6.892 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.994 -13.567 5.760 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.835 -14.674 5.147 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.160 -15.776 6.136 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -6.149 -15.631 6.884 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -4.424 -16.785 6.162 1.00 0.00 O ATOM 0 H GLU A 104 -2.470 -11.593 6.099 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.387 -12.328 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.940 -13.831 5.670 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.217 -13.501 6.825 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.763 -14.250 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.304 -15.100 4.296 1.00 0.00 H new ATOM 1581 N THR A 105 -6.505 -11.408 4.915 1.00 0.00 N ATOM 1582 CA THR A 105 -7.747 -10.793 5.368 1.00 0.00 C ATOM 1583 C THR A 105 -8.418 -11.639 6.444 1.00 0.00 C ATOM 1584 O THR A 105 -7.906 -12.688 6.833 1.00 0.00 O ATOM 1585 CB THR A 105 -8.732 -10.590 4.201 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.720 -11.738 3.345 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.371 -9.349 3.398 1.00 0.00 C ATOM 0 H THR A 105 -6.519 -11.720 3.944 1.00 0.00 H new ATOM 0 HA THR A 105 -7.485 -9.821 5.785 1.00 0.00 H new ATOM 0 HB THR A 105 -9.731 -10.457 4.616 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.107 -11.502 2.476 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.080 -9.226 2.579 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.409 -8.473 4.045 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.365 -9.458 2.993 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.569 -11.177 6.920 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.314 -11.892 7.950 1.00 0.00 C ATOM 1597 C LYS A 106 -11.282 -12.892 7.327 1.00 0.00 C ATOM 1598 O LYS A 106 -11.750 -12.700 6.205 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.082 -10.904 8.832 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.186 -9.922 9.568 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.774 -10.457 10.929 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.413 -9.924 11.348 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.306 -10.811 10.894 1.00 0.00 N ATOM 0 H LYS A 106 -10.007 -10.310 6.609 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.600 -12.440 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.785 -10.347 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.671 -11.462 9.560 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.297 -9.721 8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.708 -8.973 9.692 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.520 -10.177 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.746 -11.546 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.271 -8.925 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.379 -9.827 12.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.395 -10.413 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.427 -11.757 11.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.322 -10.883 9.857 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.578 -13.958 8.062 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.493 -14.987 7.582 1.00 0.00 C ATOM 1619 C ALA A 107 -13.931 -14.479 7.570 1.00 0.00 C ATOM 1620 O ALA A 107 -14.373 -13.815 8.508 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.380 -16.237 8.442 1.00 0.00 C ATOM 0 H ALA A 107 -11.198 -14.132 8.992 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.215 -15.238 6.558 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -13.069 -16.997 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.360 -16.619 8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.630 -15.992 9.474 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.657 -14.797 6.503 1.00 0.00 N ATOM 1628 CA ARG A 108 -16.045 -14.371 6.368 1.00 0.00 C ATOM 1629 C ARG A 108 -16.982 -15.342 7.080 1.00 0.00 C ATOM 1630 O ARG A 108 -18.113 -15.560 6.645 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.428 -14.266 4.891 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.174 -15.542 4.104 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.106 -15.653 2.907 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.035 -16.970 2.279 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.895 -17.392 1.359 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.886 -16.605 0.962 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -17.765 -18.603 0.833 1.00 0.00 N ATOM 0 H ARG A 108 -14.307 -15.348 5.719 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.145 -13.390 6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.484 -14.007 4.816 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.866 -13.450 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.139 -15.561 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.311 -16.406 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -18.130 -15.458 3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.849 -14.888 2.175 1.00 0.00 H new ATOM 0 HE ARG A 108 -16.284 -17.600 2.562 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.989 -15.673 1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -19.545 -16.932 0.255 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.004 -19.211 1.135 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.426 -18.926 0.127 1.00 0.00 H new ATOM 1651 N SER A 109 -16.504 -15.922 8.176 1.00 0.00 N ATOM 1652 CA SER A 109 -17.298 -16.873 8.946 1.00 0.00 C ATOM 1653 C SER A 109 -17.501 -16.378 10.375 1.00 0.00 C ATOM 1654 O SER A 109 -16.927 -15.370 10.783 1.00 0.00 O ATOM 1655 CB SER A 109 -16.618 -18.243 8.961 1.00 0.00 C ATOM 1656 OG SER A 109 -16.773 -18.902 7.716 1.00 0.00 O ATOM 0 H SER A 109 -15.571 -15.750 8.551 1.00 0.00 H new ATOM 0 HA SER A 109 -18.274 -16.965 8.469 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.558 -18.124 9.184 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.044 -18.855 9.756 1.00 0.00 H new ATOM 0 HG SER A 109 -16.328 -19.775 7.750 1.00 0.00 H new ATOM 1662 N GLY A 110 -18.324 -17.098 11.132 1.00 0.00 N ATOM 1663 CA GLY A 110 -18.590 -16.718 12.507 1.00 0.00 C ATOM 1664 C GLY A 110 -17.908 -17.634 13.504 1.00 0.00 C ATOM 1665 O GLY A 110 -17.454 -18.727 13.166 1.00 0.00 O ATOM 0 H GLY A 110 -18.811 -17.937 10.817 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -18.253 -15.694 12.669 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -19.666 -16.731 12.683 1.00 0.00 H new ATOM 1669 N PRO A 111 -17.827 -17.186 14.766 1.00 0.00 N ATOM 1670 CA PRO A 111 -17.195 -17.958 15.840 1.00 0.00 C ATOM 1671 C PRO A 111 -18.008 -19.188 16.226 1.00 0.00 C ATOM 1672 O PRO A 111 -17.556 -20.023 17.010 1.00 0.00 O ATOM 1673 CB PRO A 111 -17.142 -16.966 17.005 1.00 0.00 C ATOM 1674 CG PRO A 111 -18.250 -16.007 16.737 1.00 0.00 C ATOM 1675 CD PRO A 111 -18.346 -15.893 15.241 1.00 0.00 C ATOM 0 HA PRO A 111 -16.219 -18.344 15.545 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -17.278 -17.471 17.961 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -16.179 -16.457 17.048 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -19.188 -16.365 17.162 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -18.045 -15.037 17.190 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -19.373 -15.728 14.916 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -17.754 -15.059 14.863 1.00 0.00 H new ATOM 1683 N SER A 112 -19.211 -19.296 15.670 1.00 0.00 N ATOM 1684 CA SER A 112 -20.089 -20.424 15.958 1.00 0.00 C ATOM 1685 C SER A 112 -19.290 -21.719 16.069 1.00 0.00 C ATOM 1686 O SER A 112 -18.304 -21.916 15.360 1.00 0.00 O ATOM 1687 CB SER A 112 -21.154 -20.560 14.869 1.00 0.00 C ATOM 1688 OG SER A 112 -21.957 -19.395 14.792 1.00 0.00 O ATOM 0 H SER A 112 -19.600 -18.615 15.017 1.00 0.00 H new ATOM 0 HA SER A 112 -20.579 -20.237 16.913 1.00 0.00 H new ATOM 0 HB2 SER A 112 -20.674 -20.739 13.907 1.00 0.00 H new ATOM 0 HB3 SER A 112 -21.783 -21.426 15.077 1.00 0.00 H new ATOM 0 HG SER A 112 -22.629 -19.507 14.087 1.00 0.00 H new ATOM 1694 N SER A 113 -19.725 -22.600 16.965 1.00 0.00 N ATOM 1695 CA SER A 113 -19.050 -23.875 17.173 1.00 0.00 C ATOM 1696 C SER A 113 -18.681 -24.519 15.840 1.00 0.00 C ATOM 1697 O SER A 113 -19.502 -24.594 14.926 1.00 0.00 O ATOM 1698 CB SER A 113 -19.939 -24.822 17.981 1.00 0.00 C ATOM 1699 OG SER A 113 -20.870 -25.486 17.143 1.00 0.00 O ATOM 0 H SER A 113 -20.542 -22.454 17.558 1.00 0.00 H new ATOM 0 HA SER A 113 -18.133 -23.685 17.731 1.00 0.00 H new ATOM 0 HB2 SER A 113 -19.320 -25.557 18.496 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.472 -24.260 18.748 1.00 0.00 H new ATOM 0 HG SER A 113 -21.425 -26.087 17.683 1.00 0.00 H new ATOM 1705 N GLY A 114 -17.439 -24.982 15.736 1.00 0.00 N ATOM 1706 CA GLY A 114 -16.983 -25.613 14.512 1.00 0.00 C ATOM 1707 C GLY A 114 -15.538 -25.282 14.192 1.00 0.00 C ATOM 1708 O GLY A 114 -14.823 -24.729 15.027 1.00 0.00 O ATOM 0 H GLY A 114 -16.741 -24.931 16.478 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.094 -26.694 14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -17.617 -25.295 13.685 1.00 0.00 H new TER 1712 GLY A 114