USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 784 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 28 SER OG : rot 180:sc= 0.011 USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0668 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.5!) USER MOD Single : A 4 MET CE :methyl -117:sc= -3.38 (180deg=-9.41!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0571 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -162:sc= -0.0609 (180deg=-0.438) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 176:sc= -4.41 (180deg=-4.52) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -4.53! K(o=-4.5!,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= -1.37 (180deg=-1.53!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 16:sc= -1.15 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.93! C(o=-1.9!,f=-3.1!) USER MOD Single : A 82 ASN : amide:sc= -5.61! K(o=-5.6!,f=-1.8) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.72! C(o=-2.7!,f=-8.8!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -44:sc= -0.383! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.746 21.247 -10.563 1.00 0.00 N ATOM 2 CA GLY A 1 -17.600 19.897 -9.953 1.00 0.00 C ATOM 3 C GLY A 1 -16.501 19.847 -8.908 1.00 0.00 C ATOM 4 O GLY A 1 -15.885 20.865 -8.596 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.716 21.591 -10.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.074 21.904 -10.117 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.550 21.190 -11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.545 19.604 -9.496 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.386 19.169 -10.736 1.00 0.00 H new ATOM 10 N SER A 2 -16.257 18.657 -8.368 1.00 0.00 N ATOM 11 CA SER A 2 -15.227 18.473 -7.353 1.00 0.00 C ATOM 12 C SER A 2 -14.993 16.990 -7.085 1.00 0.00 C ATOM 13 O SER A 2 -15.862 16.158 -7.345 1.00 0.00 O ATOM 14 CB SER A 2 -15.624 19.181 -6.057 1.00 0.00 C ATOM 15 OG SER A 2 -16.870 18.706 -5.576 1.00 0.00 O ATOM 0 H SER A 2 -16.760 17.805 -8.617 1.00 0.00 H new ATOM 0 HA SER A 2 -14.301 18.910 -7.726 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.855 19.021 -5.302 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.683 20.256 -6.230 1.00 0.00 H new ATOM 0 HG SER A 2 -17.100 19.173 -4.746 1.00 0.00 H new ATOM 21 N HIS A 3 -13.814 16.666 -6.564 1.00 0.00 N ATOM 22 CA HIS A 3 -13.470 15.281 -6.263 1.00 0.00 C ATOM 23 C HIS A 3 -12.494 15.201 -5.094 1.00 0.00 C ATOM 24 O HIS A 3 -11.477 15.892 -5.072 1.00 0.00 O ATOM 25 CB HIS A 3 -12.863 14.604 -7.494 1.00 0.00 C ATOM 26 CG HIS A 3 -13.783 14.575 -8.674 1.00 0.00 C ATOM 27 ND1 HIS A 3 -13.944 15.643 -9.531 1.00 0.00 N ATOM 28 CD2 HIS A 3 -14.592 13.596 -9.144 1.00 0.00 C ATOM 29 CE1 HIS A 3 -14.814 15.327 -10.472 1.00 0.00 C ATOM 30 NE2 HIS A 3 -15.221 14.088 -10.261 1.00 0.00 N ATOM 0 H HIS A 3 -13.083 17.341 -6.342 1.00 0.00 H new ATOM 0 HA HIS A 3 -14.386 14.761 -5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -11.947 15.125 -7.771 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.583 13.583 -7.236 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -14.719 12.611 -8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -15.138 15.971 -11.276 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -15.894 13.579 -10.835 1.00 0.00 H new ATOM 38 N MET A 4 -12.813 14.350 -4.124 1.00 0.00 N ATOM 39 CA MET A 4 -11.966 14.174 -2.950 1.00 0.00 C ATOM 40 C MET A 4 -11.498 12.726 -2.830 1.00 0.00 C ATOM 41 O MET A 4 -10.348 12.461 -2.485 1.00 0.00 O ATOM 42 CB MET A 4 -12.722 14.581 -1.682 1.00 0.00 C ATOM 43 CG MET A 4 -12.700 16.078 -1.414 1.00 0.00 C ATOM 44 SD MET A 4 -14.110 16.934 -2.142 1.00 0.00 S ATOM 45 CE MET A 4 -13.312 17.830 -3.471 1.00 0.00 C ATOM 0 H MET A 4 -13.653 13.771 -4.128 1.00 0.00 H new ATOM 0 HA MET A 4 -11.091 14.814 -3.066 1.00 0.00 H new ATOM 0 HB2 MET A 4 -13.757 14.250 -1.764 1.00 0.00 H new ATOM 0 HB3 MET A 4 -12.288 14.061 -0.828 1.00 0.00 H new ATOM 0 HG2 MET A 4 -12.691 16.251 -0.338 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.778 16.501 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 4 -13.421 18.902 -3.304 1.00 0.00 H new ATOM 0 HE2 MET A 4 -12.253 17.573 -3.499 1.00 0.00 H new ATOM 0 HE3 MET A 4 -13.775 17.562 -4.420 1.00 0.00 H new ATOM 55 N GLN A 5 -12.403 11.794 -3.115 1.00 0.00 N ATOM 56 CA GLN A 5 -12.089 10.372 -3.038 1.00 0.00 C ATOM 57 C GLN A 5 -11.361 9.900 -4.293 1.00 0.00 C ATOM 58 O GLN A 5 -11.586 10.418 -5.386 1.00 0.00 O ATOM 59 CB GLN A 5 -13.370 9.558 -2.847 1.00 0.00 C ATOM 60 CG GLN A 5 -14.027 9.765 -1.493 1.00 0.00 C ATOM 61 CD GLN A 5 -15.302 10.581 -1.581 1.00 0.00 C ATOM 62 OE1 GLN A 5 -15.349 11.730 -1.144 1.00 0.00 O ATOM 63 NE2 GLN A 5 -16.345 9.988 -2.150 1.00 0.00 N ATOM 0 H GLN A 5 -13.360 11.999 -3.402 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.432 10.220 -2.182 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.080 9.824 -3.630 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.140 8.500 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -14.251 8.795 -1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.325 10.265 -0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -16.261 9.033 -2.499 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.230 10.487 -2.238 1.00 0.00 H new ATOM 72 N ALA A 6 -10.491 8.908 -4.126 1.00 0.00 N ATOM 73 CA ALA A 6 -9.735 8.359 -5.243 1.00 0.00 C ATOM 74 C ALA A 6 -10.540 7.286 -5.969 1.00 0.00 C ATOM 75 O ALA A 6 -11.304 6.546 -5.348 1.00 0.00 O ATOM 76 CB ALA A 6 -8.411 7.790 -4.755 1.00 0.00 C ATOM 0 H ALA A 6 -10.293 8.469 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.532 9.166 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.856 7.383 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.827 8.581 -4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.600 6.998 -4.030 1.00 0.00 H new ATOM 82 N THR A 7 -10.366 7.207 -7.283 1.00 0.00 N ATOM 83 CA THR A 7 -11.079 6.223 -8.090 1.00 0.00 C ATOM 84 C THR A 7 -10.104 5.365 -8.891 1.00 0.00 C ATOM 85 O THR A 7 -8.960 5.757 -9.118 1.00 0.00 O ATOM 86 CB THR A 7 -12.059 6.921 -9.033 1.00 0.00 C ATOM 87 OG1 THR A 7 -12.804 7.907 -8.341 1.00 0.00 O ATOM 88 CG2 THR A 7 -13.045 5.972 -9.680 1.00 0.00 C ATOM 0 H THR A 7 -9.738 7.812 -7.812 1.00 0.00 H new ATOM 0 HA THR A 7 -11.636 5.572 -7.416 1.00 0.00 H new ATOM 0 HB THR A 7 -11.442 7.367 -9.813 1.00 0.00 H new ATOM 0 HG1 THR A 7 -13.424 8.344 -8.961 1.00 0.00 H new ATOM 0 HG21 THR A 7 -13.711 6.532 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 7 -12.504 5.226 -10.262 1.00 0.00 H new ATOM 0 HG23 THR A 7 -13.631 5.474 -8.908 1.00 0.00 H new ATOM 96 N TRP A 8 -10.566 4.194 -9.314 1.00 0.00 N ATOM 97 CA TRP A 8 -9.738 3.277 -10.088 1.00 0.00 C ATOM 98 C TRP A 8 -10.529 2.626 -11.217 1.00 0.00 C ATOM 99 O TRP A 8 -11.728 2.860 -11.372 1.00 0.00 O ATOM 100 CB TRP A 8 -9.176 2.187 -9.179 1.00 0.00 C ATOM 101 CG TRP A 8 -8.137 2.687 -8.233 1.00 0.00 C ATOM 102 CD1 TRP A 8 -8.310 3.591 -7.230 1.00 0.00 C ATOM 103 CD2 TRP A 8 -6.760 2.307 -8.199 1.00 0.00 C ATOM 104 NE1 TRP A 8 -7.124 3.803 -6.577 1.00 0.00 N ATOM 105 CE2 TRP A 8 -6.153 3.024 -7.153 1.00 0.00 C ATOM 106 CE3 TRP A 8 -5.981 1.430 -8.955 1.00 0.00 C ATOM 107 CZ2 TRP A 8 -4.799 2.887 -6.846 1.00 0.00 C ATOM 108 CZ3 TRP A 8 -4.645 1.297 -8.646 1.00 0.00 C ATOM 109 CH2 TRP A 8 -4.065 2.016 -7.606 1.00 0.00 C ATOM 0 H TRP A 8 -11.512 3.857 -9.133 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.925 3.857 -10.525 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -9.992 1.742 -8.610 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -8.747 1.396 -9.794 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -9.246 4.071 -6.985 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.986 4.437 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -6.417 0.866 -9.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -4.347 3.446 -6.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.034 0.619 -9.224 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.014 1.885 -7.394 1.00 0.00 H new ATOM 120 N LYS A 9 -9.842 1.794 -11.991 1.00 0.00 N ATOM 121 CA LYS A 9 -10.457 1.077 -13.104 1.00 0.00 C ATOM 122 C LYS A 9 -9.840 -0.314 -13.256 1.00 0.00 C ATOM 123 O LYS A 9 -10.001 -0.965 -14.289 1.00 0.00 O ATOM 124 CB LYS A 9 -10.286 1.863 -14.408 1.00 0.00 C ATOM 125 CG LYS A 9 -10.311 3.370 -14.220 1.00 0.00 C ATOM 126 CD LYS A 9 -9.991 4.097 -15.516 1.00 0.00 C ATOM 127 CE LYS A 9 -11.120 3.959 -16.527 1.00 0.00 C ATOM 128 NZ LYS A 9 -10.648 4.168 -17.925 1.00 0.00 N ATOM 0 H LYS A 9 -8.849 1.597 -11.867 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.520 0.970 -12.890 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.341 1.579 -14.872 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.079 1.579 -15.100 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.294 3.677 -13.862 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.590 3.654 -13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.814 5.152 -15.308 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.070 3.697 -15.941 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.566 2.968 -16.439 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.903 4.682 -16.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.449 4.065 -18.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.246 5.123 -18.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.920 3.462 -18.155 1.00 0.00 H new ATOM 142 N GLU A 10 -9.111 -0.750 -12.231 1.00 0.00 N ATOM 143 CA GLU A 10 -8.445 -2.045 -12.258 1.00 0.00 C ATOM 144 C GLU A 10 -9.433 -3.203 -12.147 1.00 0.00 C ATOM 145 O GLU A 10 -10.371 -3.166 -11.349 1.00 0.00 O ATOM 146 CB GLU A 10 -7.401 -2.126 -11.141 1.00 0.00 C ATOM 147 CG GLU A 10 -7.955 -1.839 -9.755 1.00 0.00 C ATOM 148 CD GLU A 10 -6.880 -1.403 -8.778 1.00 0.00 C ATOM 149 OE1 GLU A 10 -5.688 -1.653 -9.055 1.00 0.00 O ATOM 150 OE2 GLU A 10 -7.229 -0.807 -7.737 1.00 0.00 O ATOM 0 H GLU A 10 -8.968 -0.222 -11.370 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.948 -2.136 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.957 -3.121 -11.145 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.600 -1.418 -11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.715 -1.061 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.448 -2.732 -9.372 1.00 0.00 H new ATOM 157 N LYS A 11 -9.203 -4.232 -12.959 1.00 0.00 N ATOM 158 CA LYS A 11 -10.052 -5.420 -12.973 1.00 0.00 C ATOM 159 C LYS A 11 -9.935 -6.179 -11.650 1.00 0.00 C ATOM 160 O LYS A 11 -9.639 -5.584 -10.614 1.00 0.00 O ATOM 161 CB LYS A 11 -9.662 -6.314 -14.157 1.00 0.00 C ATOM 162 CG LYS A 11 -8.177 -6.644 -14.208 1.00 0.00 C ATOM 163 CD LYS A 11 -7.931 -8.054 -14.728 1.00 0.00 C ATOM 164 CE LYS A 11 -7.248 -8.038 -16.086 1.00 0.00 C ATOM 165 NZ LYS A 11 -8.210 -8.279 -17.197 1.00 0.00 N ATOM 0 H LYS A 11 -8.428 -4.266 -13.622 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.093 -5.117 -13.090 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.230 -7.243 -14.103 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.948 -5.819 -15.085 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.666 -5.925 -14.849 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.747 -6.544 -13.211 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.314 -8.603 -14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.880 -8.585 -14.803 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.757 -7.076 -16.234 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.469 -8.800 -16.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.703 -8.260 -18.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.660 -9.208 -17.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.939 -7.537 -17.192 1.00 0.00 H new ATOM 179 N ASP A 12 -10.171 -7.492 -11.675 1.00 0.00 N ATOM 180 CA ASP A 12 -10.086 -8.300 -10.463 1.00 0.00 C ATOM 181 C ASP A 12 -9.245 -9.553 -10.688 1.00 0.00 C ATOM 182 O ASP A 12 -9.376 -10.535 -9.958 1.00 0.00 O ATOM 183 CB ASP A 12 -11.488 -8.689 -9.987 1.00 0.00 C ATOM 184 CG ASP A 12 -12.295 -9.380 -11.068 1.00 0.00 C ATOM 185 OD1 ASP A 12 -12.718 -8.695 -12.022 1.00 0.00 O ATOM 186 OD2 ASP A 12 -12.503 -10.608 -10.960 1.00 0.00 O ATOM 0 H ASP A 12 -10.420 -8.013 -12.516 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.599 -7.699 -9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.405 -9.348 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.018 -7.795 -9.657 1.00 0.00 H new ATOM 191 N GLY A 13 -8.385 -9.515 -11.701 1.00 0.00 N ATOM 192 CA GLY A 13 -7.538 -10.655 -11.999 1.00 0.00 C ATOM 193 C GLY A 13 -6.163 -10.540 -11.367 1.00 0.00 C ATOM 194 O GLY A 13 -5.959 -9.746 -10.448 1.00 0.00 O ATOM 0 H GLY A 13 -8.260 -8.715 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.022 -11.565 -11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.431 -10.751 -13.079 1.00 0.00 H new ATOM 198 N ALA A 14 -5.219 -11.340 -11.855 1.00 0.00 N ATOM 199 CA ALA A 14 -3.858 -11.330 -11.327 1.00 0.00 C ATOM 200 C ALA A 14 -3.129 -10.036 -11.685 1.00 0.00 C ATOM 201 O ALA A 14 -3.711 -9.124 -12.274 1.00 0.00 O ATOM 202 CB ALA A 14 -3.085 -12.536 -11.839 1.00 0.00 C ATOM 0 H ALA A 14 -5.371 -12.003 -12.615 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.920 -11.385 -10.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.072 -12.516 -11.438 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.584 -13.451 -11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.044 -12.507 -12.928 1.00 0.00 H new ATOM 208 N VAL A 15 -1.834 -9.990 -11.375 1.00 0.00 N ATOM 209 CA VAL A 15 -1.008 -8.837 -11.716 1.00 0.00 C ATOM 210 C VAL A 15 -0.829 -8.728 -13.225 1.00 0.00 C ATOM 211 O VAL A 15 -0.804 -9.741 -13.925 1.00 0.00 O ATOM 212 CB VAL A 15 0.375 -8.900 -11.045 1.00 0.00 C ATOM 213 CG1 VAL A 15 1.164 -10.105 -11.536 1.00 0.00 C ATOM 214 CG2 VAL A 15 1.148 -7.608 -11.278 1.00 0.00 C ATOM 0 H VAL A 15 -1.337 -10.737 -10.890 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.530 -7.956 -11.344 1.00 0.00 H new ATOM 0 HB VAL A 15 0.226 -9.014 -9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.138 -10.126 -11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.618 -11.018 -11.299 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.302 -10.035 -12.615 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.123 -7.675 -10.795 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.284 -7.453 -12.348 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.592 -6.770 -10.858 1.00 0.00 H new ATOM 224 N GLU A 16 -0.664 -7.512 -13.725 1.00 0.00 N ATOM 225 CA GLU A 16 -0.441 -7.300 -15.146 1.00 0.00 C ATOM 226 C GLU A 16 0.678 -6.281 -15.347 1.00 0.00 C ATOM 227 O GLU A 16 1.075 -5.592 -14.408 1.00 0.00 O ATOM 228 CB GLU A 16 -1.723 -6.845 -15.849 1.00 0.00 C ATOM 229 CG GLU A 16 -2.543 -7.996 -16.410 1.00 0.00 C ATOM 230 CD GLU A 16 -3.008 -7.750 -17.831 1.00 0.00 C ATOM 231 OE1 GLU A 16 -3.721 -6.750 -18.059 1.00 0.00 O ATOM 232 OE2 GLU A 16 -2.660 -8.558 -18.718 1.00 0.00 O ATOM 0 H GLU A 16 -0.680 -6.658 -13.167 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.143 -8.248 -15.594 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.335 -6.282 -15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.463 -6.165 -16.660 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.947 -8.908 -16.381 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.411 -8.162 -15.772 1.00 0.00 H new ATOM 239 N ALA A 17 1.205 -6.238 -16.567 1.00 0.00 N ATOM 240 CA ALA A 17 2.323 -5.351 -16.914 1.00 0.00 C ATOM 241 C ALA A 17 2.468 -4.177 -15.932 1.00 0.00 C ATOM 242 O ALA A 17 3.397 -4.159 -15.127 1.00 0.00 O ATOM 243 CB ALA A 17 2.159 -4.831 -18.334 1.00 0.00 C ATOM 0 H ALA A 17 0.875 -6.812 -17.343 1.00 0.00 H new ATOM 0 HA ALA A 17 3.236 -5.942 -16.845 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.994 -4.175 -18.580 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.141 -5.670 -19.029 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.225 -4.275 -18.412 1.00 0.00 H new ATOM 249 N GLU A 18 1.577 -3.193 -16.012 1.00 0.00 N ATOM 250 CA GLU A 18 1.667 -2.023 -15.129 1.00 0.00 C ATOM 251 C GLU A 18 0.436 -1.876 -14.228 1.00 0.00 C ATOM 252 O GLU A 18 -0.407 -1.005 -14.448 1.00 0.00 O ATOM 253 CB GLU A 18 1.850 -0.756 -15.967 1.00 0.00 C ATOM 254 CG GLU A 18 2.964 -0.860 -16.995 1.00 0.00 C ATOM 255 CD GLU A 18 3.589 0.483 -17.314 1.00 0.00 C ATOM 256 OE1 GLU A 18 2.872 1.504 -17.241 1.00 0.00 O ATOM 257 OE2 GLU A 18 4.795 0.516 -17.636 1.00 0.00 O ATOM 0 H GLU A 18 0.795 -3.176 -16.666 1.00 0.00 H new ATOM 0 HA GLU A 18 2.530 -2.170 -14.479 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.914 -0.532 -16.479 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.058 0.082 -15.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.734 -1.536 -16.624 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.569 -1.299 -17.911 1.00 0.00 H new ATOM 264 N ASP A 19 0.330 -2.751 -13.225 1.00 0.00 N ATOM 265 CA ASP A 19 -0.806 -2.742 -12.296 1.00 0.00 C ATOM 266 C ASP A 19 -0.482 -2.058 -10.961 1.00 0.00 C ATOM 267 O ASP A 19 0.576 -1.450 -10.796 1.00 0.00 O ATOM 268 CB ASP A 19 -1.231 -4.179 -12.022 1.00 0.00 C ATOM 269 CG ASP A 19 -1.782 -4.862 -13.250 1.00 0.00 C ATOM 270 OD1 ASP A 19 -1.452 -4.425 -14.373 1.00 0.00 O ATOM 271 OD2 ASP A 19 -2.544 -5.838 -13.089 1.00 0.00 O ATOM 0 H ASP A 19 1.019 -3.478 -13.034 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.606 -2.171 -12.768 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.376 -4.743 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.986 -4.188 -11.236 1.00 0.00 H new ATOM 276 N ARG A 20 -1.411 -2.200 -10.002 1.00 0.00 N ATOM 277 CA ARG A 20 -1.259 -1.647 -8.654 1.00 0.00 C ATOM 278 C ARG A 20 -1.914 -2.600 -7.649 1.00 0.00 C ATOM 279 O ARG A 20 -3.136 -2.746 -7.634 1.00 0.00 O ATOM 280 CB ARG A 20 -1.905 -0.258 -8.541 1.00 0.00 C ATOM 281 CG ARG A 20 -0.934 0.912 -8.672 1.00 0.00 C ATOM 282 CD ARG A 20 -0.581 1.509 -7.313 1.00 0.00 C ATOM 283 NE ARG A 20 0.286 2.683 -7.423 1.00 0.00 N ATOM 284 CZ ARG A 20 -0.153 3.941 -7.476 1.00 0.00 C ATOM 285 NH1 ARG A 20 -1.447 4.213 -7.360 1.00 0.00 N ATOM 286 NH2 ARG A 20 0.711 4.936 -7.629 1.00 0.00 N ATOM 0 H ARG A 20 -2.287 -2.702 -10.143 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.195 -1.541 -8.441 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.670 -0.165 -9.312 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.411 -0.186 -7.579 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.024 0.575 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.376 1.682 -9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.498 1.786 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.086 0.752 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 20 1.293 2.529 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.118 3.456 -7.229 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.771 5.179 -7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.709 4.738 -7.706 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.378 5.899 -7.670 1.00 0.00 H new ATOM 300 N VAL A 21 -1.105 -3.244 -6.810 1.00 0.00 N ATOM 301 CA VAL A 21 -1.618 -4.178 -5.803 1.00 0.00 C ATOM 302 C VAL A 21 -1.854 -3.490 -4.458 1.00 0.00 C ATOM 303 O VAL A 21 -1.452 -2.343 -4.259 1.00 0.00 O ATOM 304 CB VAL A 21 -0.640 -5.353 -5.585 1.00 0.00 C ATOM 305 CG1 VAL A 21 -0.413 -6.137 -6.872 1.00 0.00 C ATOM 306 CG2 VAL A 21 0.682 -4.849 -5.030 1.00 0.00 C ATOM 0 H VAL A 21 -0.091 -3.138 -6.806 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.568 -4.552 -6.186 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.091 -6.029 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.280 -6.956 -6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.362 -6.540 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.006 -5.477 -7.631 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.359 -5.690 -4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.127 -4.144 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.510 -4.350 -4.076 1.00 0.00 H new ATOM 316 N THR A 22 -2.459 -4.220 -3.521 1.00 0.00 N ATOM 317 CA THR A 22 -2.693 -3.708 -2.176 1.00 0.00 C ATOM 318 C THR A 22 -1.986 -4.612 -1.177 1.00 0.00 C ATOM 319 O THR A 22 -2.355 -5.775 -1.017 1.00 0.00 O ATOM 320 CB THR A 22 -4.187 -3.645 -1.858 1.00 0.00 C ATOM 321 OG1 THR A 22 -4.867 -2.826 -2.791 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.473 -3.105 -0.472 1.00 0.00 C ATOM 0 H THR A 22 -2.796 -5.171 -3.672 1.00 0.00 H new ATOM 0 HA THR A 22 -2.298 -2.694 -2.111 1.00 0.00 H new ATOM 0 HB THR A 22 -4.542 -4.674 -1.913 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.821 -2.801 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.550 -3.084 -0.305 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.002 -3.747 0.273 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.073 -2.095 -0.385 1.00 0.00 H new ATOM 330 N ILE A 23 -0.949 -4.095 -0.532 1.00 0.00 N ATOM 331 CA ILE A 23 -0.183 -4.893 0.417 1.00 0.00 C ATOM 332 C ILE A 23 -0.049 -4.226 1.785 1.00 0.00 C ATOM 333 O ILE A 23 -0.067 -3.003 1.906 1.00 0.00 O ATOM 334 CB ILE A 23 1.239 -5.166 -0.116 1.00 0.00 C ATOM 335 CG1 ILE A 23 2.012 -3.852 -0.234 1.00 0.00 C ATOM 336 CG2 ILE A 23 1.200 -5.894 -1.454 1.00 0.00 C ATOM 337 CD1 ILE A 23 3.402 -4.024 -0.788 1.00 0.00 C ATOM 0 H ILE A 23 -0.621 -3.136 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.740 -5.823 0.534 1.00 0.00 H new ATOM 0 HB ILE A 23 1.753 -5.815 0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.456 -3.168 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.076 -3.387 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.218 -6.071 -1.802 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.686 -6.848 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.668 -5.285 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.894 -3.053 -0.845 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.975 -4.683 -0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.345 -4.461 -1.785 1.00 0.00 H new ATOM 349 N ASP A 24 0.138 -5.061 2.800 1.00 0.00 N ATOM 350 CA ASP A 24 0.340 -4.609 4.174 1.00 0.00 C ATOM 351 C ASP A 24 1.678 -5.171 4.657 1.00 0.00 C ATOM 352 O ASP A 24 1.890 -6.382 4.594 1.00 0.00 O ATOM 353 CB ASP A 24 -0.796 -5.095 5.080 1.00 0.00 C ATOM 354 CG ASP A 24 -0.863 -6.604 5.173 1.00 0.00 C ATOM 355 OD1 ASP A 24 -1.488 -7.228 4.290 1.00 0.00 O ATOM 356 OD2 ASP A 24 -0.292 -7.166 6.132 1.00 0.00 O ATOM 0 H ASP A 24 0.154 -6.075 2.694 1.00 0.00 H new ATOM 0 HA ASP A 24 0.345 -3.520 4.211 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.662 -4.679 6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.745 -4.716 4.701 1.00 0.00 H new ATOM 361 N PHE A 25 2.595 -4.314 5.101 1.00 0.00 N ATOM 362 CA PHE A 25 3.905 -4.804 5.531 1.00 0.00 C ATOM 363 C PHE A 25 4.452 -4.076 6.749 1.00 0.00 C ATOM 364 O PHE A 25 3.938 -3.041 7.162 1.00 0.00 O ATOM 365 CB PHE A 25 4.904 -4.685 4.379 1.00 0.00 C ATOM 366 CG PHE A 25 5.307 -3.274 4.050 1.00 0.00 C ATOM 367 CD1 PHE A 25 6.138 -2.557 4.897 1.00 0.00 C ATOM 368 CD2 PHE A 25 4.839 -2.660 2.901 1.00 0.00 C ATOM 369 CE1 PHE A 25 6.493 -1.253 4.601 1.00 0.00 C ATOM 370 CE2 PHE A 25 5.187 -1.358 2.608 1.00 0.00 C ATOM 371 CZ PHE A 25 6.012 -0.655 3.456 1.00 0.00 C ATOM 0 H PHE A 25 2.463 -3.305 5.172 1.00 0.00 H new ATOM 0 HA PHE A 25 3.768 -5.846 5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.798 -5.256 4.629 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.471 -5.143 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.512 -3.021 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.195 -3.206 2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.145 -0.705 5.265 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.811 -0.889 1.711 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.282 0.365 3.224 1.00 0.00 H new ATOM 381 N THR A 26 5.509 -4.651 7.319 1.00 0.00 N ATOM 382 CA THR A 26 6.156 -4.087 8.500 1.00 0.00 C ATOM 383 C THR A 26 7.644 -4.439 8.529 1.00 0.00 C ATOM 384 O THR A 26 8.009 -5.613 8.608 1.00 0.00 O ATOM 385 CB THR A 26 5.479 -4.609 9.768 1.00 0.00 C ATOM 386 OG1 THR A 26 4.071 -4.624 9.614 1.00 0.00 O ATOM 387 CG2 THR A 26 5.798 -3.788 10.999 1.00 0.00 C ATOM 0 H THR A 26 5.937 -5.512 6.979 1.00 0.00 H new ATOM 0 HA THR A 26 6.057 -3.002 8.456 1.00 0.00 H new ATOM 0 HB THR A 26 5.872 -5.616 9.912 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.656 -4.962 10.435 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.286 -4.213 11.862 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.874 -3.798 11.174 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.464 -2.761 10.848 1.00 0.00 H new ATOM 395 N GLY A 27 8.501 -3.420 8.464 1.00 0.00 N ATOM 396 CA GLY A 27 9.933 -3.660 8.486 1.00 0.00 C ATOM 397 C GLY A 27 10.741 -2.448 8.911 1.00 0.00 C ATOM 398 O GLY A 27 10.206 -1.350 9.054 1.00 0.00 O ATOM 0 H GLY A 27 8.230 -2.439 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.145 -4.485 9.166 1.00 0.00 H new ATOM 0 HA3 GLY A 27 10.257 -3.973 7.493 1.00 0.00 H new ATOM 402 N SER A 28 12.036 -2.662 9.122 1.00 0.00 N ATOM 403 CA SER A 28 12.942 -1.595 9.539 1.00 0.00 C ATOM 404 C SER A 28 13.912 -1.219 8.426 1.00 0.00 C ATOM 405 O SER A 28 13.984 -1.888 7.398 1.00 0.00 O ATOM 406 CB SER A 28 13.736 -2.031 10.773 1.00 0.00 C ATOM 407 OG SER A 28 13.957 -3.431 10.766 1.00 0.00 O ATOM 0 H SER A 28 12.485 -3.571 9.010 1.00 0.00 H new ATOM 0 HA SER A 28 12.334 -0.722 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.692 -1.508 10.798 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.195 -1.749 11.676 1.00 0.00 H new ATOM 0 HG SER A 28 14.467 -3.686 11.563 1.00 0.00 H new ATOM 413 N VAL A 29 14.664 -0.149 8.657 1.00 0.00 N ATOM 414 CA VAL A 29 15.649 0.324 7.697 1.00 0.00 C ATOM 415 C VAL A 29 17.061 0.205 8.270 1.00 0.00 C ATOM 416 O VAL A 29 17.834 -0.654 7.845 1.00 0.00 O ATOM 417 CB VAL A 29 15.351 1.779 7.235 1.00 0.00 C ATOM 418 CG1 VAL A 29 15.015 2.689 8.412 1.00 0.00 C ATOM 419 CG2 VAL A 29 16.505 2.355 6.421 1.00 0.00 C ATOM 0 H VAL A 29 14.608 0.410 9.508 1.00 0.00 H new ATOM 0 HA VAL A 29 15.583 -0.313 6.815 1.00 0.00 H new ATOM 0 HB VAL A 29 14.474 1.732 6.590 1.00 0.00 H new ATOM 0 HG11 VAL A 29 14.813 3.696 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 29 14.134 2.307 8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.857 2.715 9.103 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.262 3.373 6.115 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.410 2.365 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.669 1.740 5.536 1.00 0.00 H new ATOM 429 N ASP A 30 17.392 1.045 9.243 1.00 0.00 N ATOM 430 CA ASP A 30 18.706 0.995 9.868 1.00 0.00 C ATOM 431 C ASP A 30 18.650 0.166 11.146 1.00 0.00 C ATOM 432 O ASP A 30 19.272 0.512 12.151 1.00 0.00 O ATOM 433 CB ASP A 30 19.207 2.409 10.171 1.00 0.00 C ATOM 434 CG ASP A 30 20.651 2.608 9.755 1.00 0.00 C ATOM 435 OD1 ASP A 30 21.550 2.322 10.574 1.00 0.00 O ATOM 436 OD2 ASP A 30 20.882 3.049 8.609 1.00 0.00 O ATOM 0 H ASP A 30 16.772 1.765 9.614 1.00 0.00 H new ATOM 0 HA ASP A 30 19.403 0.523 9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.579 3.134 9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.108 2.606 11.238 1.00 0.00 H new ATOM 441 N GLY A 31 17.880 -0.919 11.107 1.00 0.00 N ATOM 442 CA GLY A 31 17.736 -1.767 12.272 1.00 0.00 C ATOM 443 C GLY A 31 16.483 -1.434 13.060 1.00 0.00 C ATOM 444 O GLY A 31 16.054 -2.207 13.917 1.00 0.00 O ATOM 0 H GLY A 31 17.354 -1.224 10.288 1.00 0.00 H new ATOM 0 HA2 GLY A 31 17.702 -2.811 11.960 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.610 -1.654 12.914 1.00 0.00 H new ATOM 448 N GLU A 32 15.891 -0.278 12.762 1.00 0.00 N ATOM 449 CA GLU A 32 14.676 0.164 13.434 1.00 0.00 C ATOM 450 C GLU A 32 13.666 0.695 12.419 1.00 0.00 C ATOM 451 O GLU A 32 14.000 1.521 11.569 1.00 0.00 O ATOM 452 CB GLU A 32 15.000 1.248 14.464 1.00 0.00 C ATOM 453 CG GLU A 32 16.045 0.826 15.487 1.00 0.00 C ATOM 454 CD GLU A 32 15.532 -0.228 16.447 1.00 0.00 C ATOM 455 OE1 GLU A 32 14.977 -1.243 15.974 1.00 0.00 O ATOM 456 OE2 GLU A 32 15.686 -0.042 17.673 1.00 0.00 O ATOM 0 H GLU A 32 16.238 0.370 12.055 1.00 0.00 H new ATOM 0 HA GLU A 32 14.239 -0.692 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 15.353 2.138 13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.085 1.526 14.986 1.00 0.00 H new ATOM 0 HG2 GLU A 32 16.922 0.441 14.967 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.368 1.700 16.052 1.00 0.00 H new ATOM 463 N GLU A 33 12.433 0.209 12.509 1.00 0.00 N ATOM 464 CA GLU A 33 11.373 0.618 11.606 1.00 0.00 C ATOM 465 C GLU A 33 11.117 2.110 11.708 1.00 0.00 C ATOM 466 O GLU A 33 10.825 2.638 12.780 1.00 0.00 O ATOM 467 CB GLU A 33 10.094 -0.173 11.892 1.00 0.00 C ATOM 468 CG GLU A 33 9.569 -0.013 13.309 1.00 0.00 C ATOM 469 CD GLU A 33 8.081 -0.290 13.407 1.00 0.00 C ATOM 470 OE1 GLU A 33 7.590 -1.161 12.660 1.00 0.00 O ATOM 471 OE2 GLU A 33 7.407 0.365 14.229 1.00 0.00 O ATOM 0 H GLU A 33 12.145 -0.476 13.208 1.00 0.00 H new ATOM 0 HA GLU A 33 11.692 0.403 10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.320 0.142 11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.283 -1.230 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.107 -0.691 13.972 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.771 1.000 13.657 1.00 0.00 H new ATOM 478 N PHE A 34 11.263 2.786 10.582 1.00 0.00 N ATOM 479 CA PHE A 34 11.086 4.236 10.498 1.00 0.00 C ATOM 480 C PHE A 34 9.614 4.623 10.341 1.00 0.00 C ATOM 481 O PHE A 34 8.741 4.069 11.010 1.00 0.00 O ATOM 482 CB PHE A 34 11.950 4.785 9.336 1.00 0.00 C ATOM 483 CG PHE A 34 11.550 4.311 7.952 1.00 0.00 C ATOM 484 CD1 PHE A 34 11.689 2.981 7.578 1.00 0.00 C ATOM 485 CD2 PHE A 34 11.040 5.207 7.019 1.00 0.00 C ATOM 486 CE1 PHE A 34 11.327 2.558 6.313 1.00 0.00 C ATOM 487 CE2 PHE A 34 10.676 4.787 5.753 1.00 0.00 C ATOM 488 CZ PHE A 34 10.820 3.461 5.401 1.00 0.00 C ATOM 0 H PHE A 34 11.508 2.349 9.694 1.00 0.00 H new ATOM 0 HA PHE A 34 11.419 4.687 11.433 1.00 0.00 H new ATOM 0 HB2 PHE A 34 11.907 5.874 9.356 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.988 4.504 9.513 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.085 2.267 8.285 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.926 6.247 7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 34 11.441 1.520 6.038 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.280 5.496 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 34 10.536 3.130 4.413 1.00 0.00 H new ATOM 498 N GLU A 35 9.349 5.553 9.443 1.00 0.00 N ATOM 499 CA GLU A 35 7.990 6.008 9.160 1.00 0.00 C ATOM 500 C GLU A 35 7.199 4.919 8.445 1.00 0.00 C ATOM 501 O GLU A 35 6.147 4.485 8.914 1.00 0.00 O ATOM 502 CB GLU A 35 8.022 7.268 8.292 1.00 0.00 C ATOM 503 CG GLU A 35 8.500 8.511 9.023 1.00 0.00 C ATOM 504 CD GLU A 35 9.029 9.573 8.077 1.00 0.00 C ATOM 505 OE1 GLU A 35 9.778 9.216 7.144 1.00 0.00 O ATOM 506 OE2 GLU A 35 8.690 10.760 8.268 1.00 0.00 O ATOM 0 H GLU A 35 10.066 6.018 8.886 1.00 0.00 H new ATOM 0 HA GLU A 35 7.504 6.236 10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.672 7.090 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.022 7.452 7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.677 8.925 9.606 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.283 8.235 9.729 1.00 0.00 H new ATOM 513 N GLY A 36 7.721 4.486 7.299 1.00 0.00 N ATOM 514 CA GLY A 36 7.067 3.451 6.519 1.00 0.00 C ATOM 515 C GLY A 36 7.356 2.059 7.038 1.00 0.00 C ATOM 516 O GLY A 36 6.988 1.071 6.406 1.00 0.00 O ATOM 0 H GLY A 36 8.590 4.837 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.990 3.621 6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.393 3.523 5.481 1.00 0.00 H new ATOM 520 N GLY A 37 8.008 1.976 8.194 1.00 0.00 N ATOM 521 CA GLY A 37 8.324 0.686 8.771 1.00 0.00 C ATOM 522 C GLY A 37 7.096 -0.177 9.009 1.00 0.00 C ATOM 523 O GLY A 37 7.217 -1.358 9.333 1.00 0.00 O ATOM 0 H GLY A 37 8.322 2.779 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.010 0.157 8.110 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.845 0.835 9.717 1.00 0.00 H new ATOM 527 N LYS A 38 5.911 0.405 8.834 1.00 0.00 N ATOM 528 CA LYS A 38 4.668 -0.328 9.016 1.00 0.00 C ATOM 529 C LYS A 38 3.590 0.205 8.076 1.00 0.00 C ATOM 530 O LYS A 38 3.218 1.377 8.135 1.00 0.00 O ATOM 531 CB LYS A 38 4.197 -0.247 10.470 1.00 0.00 C ATOM 532 CG LYS A 38 4.039 1.173 10.990 1.00 0.00 C ATOM 533 CD LYS A 38 2.943 1.259 12.042 1.00 0.00 C ATOM 534 CE LYS A 38 1.690 1.922 11.489 1.00 0.00 C ATOM 535 NZ LYS A 38 0.453 1.196 11.894 1.00 0.00 N ATOM 0 H LYS A 38 5.790 1.382 8.567 1.00 0.00 H new ATOM 0 HA LYS A 38 4.852 -1.375 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.242 -0.765 10.561 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.909 -0.777 11.102 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.983 1.513 11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.804 1.842 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.699 0.258 12.398 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.305 1.823 12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.638 2.952 11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.749 1.960 10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.378 1.679 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.490 0.220 11.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.383 1.182 12.932 1.00 0.00 H new ATOM 549 N ALA A 39 3.099 -0.667 7.205 1.00 0.00 N ATOM 550 CA ALA A 39 2.069 -0.301 6.245 1.00 0.00 C ATOM 551 C ALA A 39 0.968 -1.351 6.220 1.00 0.00 C ATOM 552 O ALA A 39 1.227 -2.540 6.399 1.00 0.00 O ATOM 553 CB ALA A 39 2.671 -0.134 4.854 1.00 0.00 C ATOM 0 H ALA A 39 3.401 -1.639 7.145 1.00 0.00 H new ATOM 0 HA ALA A 39 1.635 0.651 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.887 0.140 4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.428 0.650 4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.129 -1.072 4.541 1.00 0.00 H new ATOM 559 N SER A 40 -0.262 -0.905 6.004 1.00 0.00 N ATOM 560 CA SER A 40 -1.401 -1.811 5.964 1.00 0.00 C ATOM 561 C SER A 40 -2.028 -1.830 4.577 1.00 0.00 C ATOM 562 O SER A 40 -2.065 -2.867 3.915 1.00 0.00 O ATOM 563 CB SER A 40 -2.447 -1.403 7.003 1.00 0.00 C ATOM 564 OG SER A 40 -1.846 -1.167 8.265 1.00 0.00 O ATOM 0 H SER A 40 -0.496 0.076 5.854 1.00 0.00 H new ATOM 0 HA SER A 40 -1.043 -2.813 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.965 -0.504 6.669 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.198 -2.187 7.095 1.00 0.00 H new ATOM 0 HG SER A 40 -2.535 -0.906 8.912 1.00 0.00 H new ATOM 570 N ASP A 41 -2.468 -0.671 4.116 1.00 0.00 N ATOM 571 CA ASP A 41 -3.033 -0.527 2.791 1.00 0.00 C ATOM 572 C ASP A 41 -1.999 0.120 1.886 1.00 0.00 C ATOM 573 O ASP A 41 -2.150 1.275 1.490 1.00 0.00 O ATOM 574 CB ASP A 41 -4.308 0.316 2.833 1.00 0.00 C ATOM 575 CG ASP A 41 -5.409 -0.337 3.646 1.00 0.00 C ATOM 576 OD1 ASP A 41 -5.371 -1.577 3.805 1.00 0.00 O ATOM 577 OD2 ASP A 41 -6.307 0.388 4.122 1.00 0.00 O ATOM 0 H ASP A 41 -2.442 0.196 4.653 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.299 -1.510 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.079 1.294 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.662 0.484 1.816 1.00 0.00 H new ATOM 582 N PHE A 42 -0.952 -0.613 1.553 1.00 0.00 N ATOM 583 CA PHE A 42 0.089 -0.075 0.685 1.00 0.00 C ATOM 584 C PHE A 42 -0.232 -0.388 -0.766 1.00 0.00 C ATOM 585 O PHE A 42 -0.150 -1.540 -1.196 1.00 0.00 O ATOM 586 CB PHE A 42 1.466 -0.638 1.057 1.00 0.00 C ATOM 587 CG PHE A 42 2.614 0.077 0.389 1.00 0.00 C ATOM 588 CD1 PHE A 42 2.592 1.456 0.237 1.00 0.00 C ATOM 589 CD2 PHE A 42 3.713 -0.628 -0.089 1.00 0.00 C ATOM 590 CE1 PHE A 42 3.640 2.118 -0.375 1.00 0.00 C ATOM 591 CE2 PHE A 42 4.763 0.032 -0.700 1.00 0.00 C ATOM 592 CZ PHE A 42 4.726 1.406 -0.843 1.00 0.00 C ATOM 0 H PHE A 42 -0.797 -1.572 1.864 1.00 0.00 H new ATOM 0 HA PHE A 42 0.120 1.006 0.820 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.593 -0.579 2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.502 -1.694 0.789 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.746 2.019 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.747 -1.702 0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.609 3.192 -0.487 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.612 -0.526 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 42 5.546 1.922 -1.320 1.00 0.00 H new ATOM 602 N VAL A 43 -0.605 0.639 -1.516 1.00 0.00 N ATOM 603 CA VAL A 43 -0.944 0.474 -2.915 1.00 0.00 C ATOM 604 C VAL A 43 0.300 0.571 -3.792 1.00 0.00 C ATOM 605 O VAL A 43 0.749 1.664 -4.140 1.00 0.00 O ATOM 606 CB VAL A 43 -1.975 1.528 -3.347 1.00 0.00 C ATOM 607 CG1 VAL A 43 -2.464 1.253 -4.758 1.00 0.00 C ATOM 608 CG2 VAL A 43 -3.142 1.565 -2.367 1.00 0.00 C ATOM 0 H VAL A 43 -0.680 1.597 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.379 -0.518 -3.041 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.492 2.505 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.193 2.011 -5.044 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.620 1.282 -5.448 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.930 0.268 -4.796 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.863 2.317 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.625 0.588 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.774 1.817 -1.372 1.00 0.00 H new ATOM 618 N LEU A 44 0.857 -0.587 -4.128 1.00 0.00 N ATOM 619 CA LEU A 44 2.059 -0.666 -4.945 1.00 0.00 C ATOM 620 C LEU A 44 1.713 -0.738 -6.424 1.00 0.00 C ATOM 621 O LEU A 44 0.735 -1.372 -6.806 1.00 0.00 O ATOM 622 CB LEU A 44 2.866 -1.900 -4.550 1.00 0.00 C ATOM 623 CG LEU A 44 4.344 -1.650 -4.265 1.00 0.00 C ATOM 624 CD1 LEU A 44 5.072 -2.970 -4.112 1.00 0.00 C ATOM 625 CD2 LEU A 44 4.976 -0.817 -5.369 1.00 0.00 C ATOM 0 H LEU A 44 0.488 -1.494 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 44 2.649 0.235 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.412 -2.342 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.787 -2.637 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 44 4.427 -1.091 -3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.126 -2.783 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.637 -3.532 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.977 -3.547 -5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.029 -0.652 -5.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.887 -1.344 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.465 0.144 -5.438 1.00 0.00 H new ATOM 637 N ALA A 45 2.530 -0.091 -7.248 1.00 0.00 N ATOM 638 CA ALA A 45 2.316 -0.088 -8.693 1.00 0.00 C ATOM 639 C ALA A 45 3.301 -1.013 -9.397 1.00 0.00 C ATOM 640 O ALA A 45 4.480 -0.683 -9.535 1.00 0.00 O ATOM 641 CB ALA A 45 2.461 1.316 -9.259 1.00 0.00 C ATOM 0 H ALA A 45 3.346 0.438 -6.942 1.00 0.00 H new ATOM 0 HA ALA A 45 1.302 -0.447 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.297 1.293 -10.336 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.726 1.973 -8.794 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.464 1.690 -9.052 1.00 0.00 H new ATOM 647 N MET A 46 2.823 -2.166 -9.849 1.00 0.00 N ATOM 648 CA MET A 46 3.678 -3.114 -10.543 1.00 0.00 C ATOM 649 C MET A 46 4.134 -2.556 -11.886 1.00 0.00 C ATOM 650 O MET A 46 3.618 -2.936 -12.936 1.00 0.00 O ATOM 651 CB MET A 46 2.956 -4.442 -10.738 1.00 0.00 C ATOM 652 CG MET A 46 3.610 -5.580 -9.984 1.00 0.00 C ATOM 653 SD MET A 46 5.308 -5.877 -10.513 1.00 0.00 S ATOM 654 CE MET A 46 5.043 -6.438 -12.194 1.00 0.00 C ATOM 0 H MET A 46 1.853 -2.464 -9.747 1.00 0.00 H new ATOM 0 HA MET A 46 4.561 -3.284 -9.928 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.922 -4.340 -10.408 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.930 -4.684 -11.801 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.599 -5.357 -8.917 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.025 -6.489 -10.126 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.933 -6.957 -12.549 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.192 -7.118 -12.221 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.843 -5.581 -12.836 1.00 0.00 H new ATOM 664 N GLY A 47 5.112 -1.658 -11.834 1.00 0.00 N ATOM 665 CA GLY A 47 5.641 -1.059 -13.046 1.00 0.00 C ATOM 666 C GLY A 47 5.160 0.361 -13.264 1.00 0.00 C ATOM 667 O GLY A 47 4.342 0.619 -14.146 1.00 0.00 O ATOM 0 H GLY A 47 5.549 -1.333 -10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.730 -1.065 -13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.353 -1.670 -13.902 1.00 0.00 H new ATOM 671 N GLN A 48 5.678 1.286 -12.465 1.00 0.00 N ATOM 672 CA GLN A 48 5.310 2.694 -12.579 1.00 0.00 C ATOM 673 C GLN A 48 6.559 3.557 -12.661 1.00 0.00 C ATOM 674 O GLN A 48 6.879 4.115 -13.711 1.00 0.00 O ATOM 675 CB GLN A 48 4.456 3.125 -11.385 1.00 0.00 C ATOM 676 CG GLN A 48 3.204 3.891 -11.776 1.00 0.00 C ATOM 677 CD GLN A 48 3.444 5.383 -11.906 1.00 0.00 C ATOM 678 OE1 GLN A 48 3.850 5.869 -12.963 1.00 0.00 O ATOM 679 NE2 GLN A 48 3.196 6.118 -10.830 1.00 0.00 N ATOM 0 H GLN A 48 6.356 1.087 -11.729 1.00 0.00 H new ATOM 0 HA GLN A 48 4.726 2.824 -13.490 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.168 2.240 -10.817 1.00 0.00 H new ATOM 0 HB3 GLN A 48 5.060 3.746 -10.723 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.828 3.504 -12.723 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.429 3.716 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.861 5.674 -9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.340 7.127 -10.857 1.00 0.00 H new ATOM 688 N GLY A 49 7.270 3.649 -11.545 1.00 0.00 N ATOM 689 CA GLY A 49 8.488 4.432 -11.503 1.00 0.00 C ATOM 690 C GLY A 49 9.714 3.575 -11.739 1.00 0.00 C ATOM 691 O GLY A 49 10.526 3.868 -12.616 1.00 0.00 O ATOM 0 H GLY A 49 7.024 3.194 -10.666 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.442 5.217 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.570 4.925 -10.535 1.00 0.00 H new ATOM 695 N ARG A 50 9.839 2.506 -10.955 1.00 0.00 N ATOM 696 CA ARG A 50 10.964 1.585 -11.077 1.00 0.00 C ATOM 697 C ARG A 50 10.889 0.499 -10.009 1.00 0.00 C ATOM 698 O ARG A 50 11.705 0.462 -9.089 1.00 0.00 O ATOM 699 CB ARG A 50 12.294 2.335 -10.960 1.00 0.00 C ATOM 700 CG ARG A 50 12.502 3.003 -9.609 1.00 0.00 C ATOM 701 CD ARG A 50 13.722 2.450 -8.883 1.00 0.00 C ATOM 702 NE ARG A 50 14.869 2.298 -9.775 1.00 0.00 N ATOM 703 CZ ARG A 50 15.551 1.164 -9.937 1.00 0.00 C ATOM 704 NH1 ARG A 50 15.215 0.068 -9.267 1.00 0.00 N ATOM 705 NH2 ARG A 50 16.580 1.127 -10.774 1.00 0.00 N ATOM 0 H ARG A 50 9.171 2.257 -10.226 1.00 0.00 H new ATOM 0 HA ARG A 50 10.909 1.118 -12.060 1.00 0.00 H new ATOM 0 HB2 ARG A 50 13.112 1.637 -11.140 1.00 0.00 H new ATOM 0 HB3 ARG A 50 12.344 3.093 -11.742 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.620 4.077 -9.750 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.615 2.857 -8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 50 13.987 3.116 -8.062 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.475 1.484 -8.443 1.00 0.00 H new ATOM 0 HE ARG A 50 15.168 3.114 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 50 14.427 0.088 -8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.745 -0.793 -9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 50 16.847 1.965 -11.291 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.104 0.261 -10.900 1.00 0.00 H new ATOM 719 N MET A 51 9.907 -0.390 -10.133 1.00 0.00 N ATOM 720 CA MET A 51 9.740 -1.476 -9.172 1.00 0.00 C ATOM 721 C MET A 51 11.071 -2.177 -8.911 1.00 0.00 C ATOM 722 O MET A 51 11.596 -2.874 -9.779 1.00 0.00 O ATOM 723 CB MET A 51 8.706 -2.484 -9.677 1.00 0.00 C ATOM 724 CG MET A 51 8.006 -3.245 -8.562 1.00 0.00 C ATOM 725 SD MET A 51 6.384 -2.564 -8.164 1.00 0.00 S ATOM 726 CE MET A 51 6.779 -0.827 -7.976 1.00 0.00 C ATOM 0 H MET A 51 9.218 -0.380 -10.885 1.00 0.00 H new ATOM 0 HA MET A 51 9.384 -1.047 -8.235 1.00 0.00 H new ATOM 0 HB2 MET A 51 7.959 -1.959 -10.272 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.198 -3.196 -10.339 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.895 -4.289 -8.855 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.631 -3.229 -7.669 1.00 0.00 H new ATOM 0 HE1 MET A 51 5.863 -0.263 -7.798 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.455 -0.697 -7.131 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.259 -0.463 -8.884 1.00 0.00 H new ATOM 736 N ILE A 52 11.607 -1.987 -7.711 1.00 0.00 N ATOM 737 CA ILE A 52 12.878 -2.603 -7.337 1.00 0.00 C ATOM 738 C ILE A 52 12.735 -4.118 -7.233 1.00 0.00 C ATOM 739 O ILE A 52 11.624 -4.636 -7.125 1.00 0.00 O ATOM 740 CB ILE A 52 13.432 -2.053 -5.999 1.00 0.00 C ATOM 741 CG1 ILE A 52 12.302 -1.625 -5.056 1.00 0.00 C ATOM 742 CG2 ILE A 52 14.374 -0.887 -6.256 1.00 0.00 C ATOM 743 CD1 ILE A 52 12.778 -1.276 -3.662 1.00 0.00 C ATOM 0 H ILE A 52 11.184 -1.413 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 52 13.586 -2.350 -8.126 1.00 0.00 H new ATOM 0 HB ILE A 52 13.985 -2.857 -5.513 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.790 -0.763 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.570 -2.430 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 52 14.755 -0.511 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 52 15.207 -1.222 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 52 13.836 -0.091 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 52 11.926 -0.982 -3.049 1.00 0.00 H new ATOM 0 HD12 ILE A 52 13.264 -2.144 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 52 13.488 -0.450 -3.716 1.00 0.00 H new ATOM 755 N PRO A 53 13.861 -4.852 -7.252 1.00 0.00 N ATOM 756 CA PRO A 53 13.845 -6.314 -7.150 1.00 0.00 C ATOM 757 C PRO A 53 13.183 -6.782 -5.860 1.00 0.00 C ATOM 758 O PRO A 53 12.779 -7.938 -5.744 1.00 0.00 O ATOM 759 CB PRO A 53 15.329 -6.702 -7.166 1.00 0.00 C ATOM 760 CG PRO A 53 16.063 -5.451 -6.821 1.00 0.00 C ATOM 761 CD PRO A 53 15.231 -4.325 -7.364 1.00 0.00 C ATOM 0 HA PRO A 53 13.273 -6.774 -7.956 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.537 -7.492 -6.445 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.628 -7.077 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 53 16.191 -5.358 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.060 -5.448 -7.262 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.361 -3.410 -6.786 1.00 0.00 H new ATOM 0 HD3 PRO A 53 15.491 -4.090 -8.396 1.00 0.00 H new ATOM 769 N GLY A 54 13.077 -5.873 -4.895 1.00 0.00 N ATOM 770 CA GLY A 54 12.463 -6.205 -3.626 1.00 0.00 C ATOM 771 C GLY A 54 10.958 -6.339 -3.723 1.00 0.00 C ATOM 772 O GLY A 54 10.404 -7.403 -3.443 1.00 0.00 O ATOM 0 H GLY A 54 13.407 -4.911 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.884 -7.140 -3.257 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.709 -5.434 -2.895 1.00 0.00 H new ATOM 776 N PHE A 55 10.291 -5.259 -4.119 1.00 0.00 N ATOM 777 CA PHE A 55 8.846 -5.274 -4.246 1.00 0.00 C ATOM 778 C PHE A 55 8.419 -6.139 -5.423 1.00 0.00 C ATOM 779 O PHE A 55 7.503 -6.954 -5.308 1.00 0.00 O ATOM 780 CB PHE A 55 8.295 -3.853 -4.421 1.00 0.00 C ATOM 781 CG PHE A 55 8.322 -3.014 -3.171 1.00 0.00 C ATOM 782 CD1 PHE A 55 7.528 -3.334 -2.078 1.00 0.00 C ATOM 783 CD2 PHE A 55 9.133 -1.894 -3.095 1.00 0.00 C ATOM 784 CE1 PHE A 55 7.542 -2.557 -0.943 1.00 0.00 C ATOM 785 CE2 PHE A 55 9.152 -1.111 -1.957 1.00 0.00 C ATOM 786 CZ PHE A 55 8.355 -1.442 -0.880 1.00 0.00 C ATOM 0 H PHE A 55 10.730 -4.369 -4.355 1.00 0.00 H new ATOM 0 HA PHE A 55 8.437 -5.696 -3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.871 -3.347 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.267 -3.917 -4.778 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.891 -4.205 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.758 -1.630 -3.935 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.918 -2.819 -0.101 1.00 0.00 H new ATOM 0 HE2 PHE A 55 9.790 -0.241 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.367 -0.831 0.010 1.00 0.00 H new ATOM 796 N GLU A 56 9.099 -5.967 -6.552 1.00 0.00 N ATOM 797 CA GLU A 56 8.797 -6.742 -7.749 1.00 0.00 C ATOM 798 C GLU A 56 8.851 -8.239 -7.451 1.00 0.00 C ATOM 799 O GLU A 56 8.279 -9.048 -8.184 1.00 0.00 O ATOM 800 CB GLU A 56 9.781 -6.392 -8.867 1.00 0.00 C ATOM 801 CG GLU A 56 9.229 -6.633 -10.262 1.00 0.00 C ATOM 802 CD GLU A 56 10.208 -6.245 -11.353 1.00 0.00 C ATOM 803 OE1 GLU A 56 10.292 -5.041 -11.676 1.00 0.00 O ATOM 804 OE2 GLU A 56 10.894 -7.145 -11.882 1.00 0.00 O ATOM 0 H GLU A 56 9.862 -5.299 -6.663 1.00 0.00 H new ATOM 0 HA GLU A 56 7.787 -6.492 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.065 -5.344 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.689 -6.981 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.970 -7.686 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.308 -6.064 -10.387 1.00 0.00 H new ATOM 811 N ASP A 57 9.540 -8.601 -6.371 1.00 0.00 N ATOM 812 CA ASP A 57 9.666 -9.997 -5.975 1.00 0.00 C ATOM 813 C ASP A 57 8.403 -10.487 -5.272 1.00 0.00 C ATOM 814 O ASP A 57 7.591 -11.198 -5.863 1.00 0.00 O ATOM 815 CB ASP A 57 10.876 -10.182 -5.054 1.00 0.00 C ATOM 816 CG ASP A 57 11.950 -11.051 -5.675 1.00 0.00 C ATOM 817 OD1 ASP A 57 12.260 -10.851 -6.869 1.00 0.00 O ATOM 818 OD2 ASP A 57 12.484 -11.934 -4.969 1.00 0.00 O ATOM 0 H ASP A 57 10.019 -7.944 -5.755 1.00 0.00 H new ATOM 0 HA ASP A 57 9.808 -10.588 -6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.297 -9.206 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.549 -10.629 -4.115 1.00 0.00 H new ATOM 823 N GLY A 58 8.253 -10.123 -4.001 1.00 0.00 N ATOM 824 CA GLY A 58 7.098 -10.559 -3.241 1.00 0.00 C ATOM 825 C GLY A 58 5.809 -9.978 -3.767 1.00 0.00 C ATOM 826 O GLY A 58 4.850 -10.705 -4.032 1.00 0.00 O ATOM 0 H GLY A 58 8.909 -9.536 -3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.040 -11.647 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.224 -10.271 -2.197 1.00 0.00 H new ATOM 830 N ILE A 59 5.786 -8.661 -3.911 1.00 0.00 N ATOM 831 CA ILE A 59 4.629 -7.946 -4.399 1.00 0.00 C ATOM 832 C ILE A 59 4.527 -8.010 -5.913 1.00 0.00 C ATOM 833 O ILE A 59 4.078 -7.068 -6.566 1.00 0.00 O ATOM 834 CB ILE A 59 4.691 -6.484 -3.943 1.00 0.00 C ATOM 835 CG1 ILE A 59 5.085 -6.405 -2.465 1.00 0.00 C ATOM 836 CG2 ILE A 59 3.358 -5.805 -4.178 1.00 0.00 C ATOM 837 CD1 ILE A 59 6.565 -6.540 -2.203 1.00 0.00 C ATOM 0 H ILE A 59 6.579 -8.059 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 59 3.742 -8.424 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 59 5.450 -5.965 -4.529 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.743 -5.452 -2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.559 -7.189 -1.920 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.415 -4.767 -3.850 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.116 -5.837 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.582 -6.322 -3.613 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.752 -6.472 -1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.913 -7.505 -2.572 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.100 -5.741 -2.716 1.00 0.00 H new ATOM 849 N LYS A 60 4.883 -9.166 -6.437 1.00 0.00 N ATOM 850 CA LYS A 60 4.757 -9.395 -7.864 1.00 0.00 C ATOM 851 C LYS A 60 3.320 -9.026 -8.234 1.00 0.00 C ATOM 852 O LYS A 60 3.063 -8.295 -9.186 1.00 0.00 O ATOM 853 CB LYS A 60 5.076 -10.848 -8.227 1.00 0.00 C ATOM 854 CG LYS A 60 6.463 -11.016 -8.827 1.00 0.00 C ATOM 855 CD LYS A 60 6.559 -12.260 -9.692 1.00 0.00 C ATOM 856 CE LYS A 60 8.008 -12.635 -9.964 1.00 0.00 C ATOM 857 NZ LYS A 60 8.280 -14.066 -9.647 1.00 0.00 N ATOM 0 H LYS A 60 5.257 -9.952 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 60 5.470 -8.787 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.995 -11.467 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.332 -11.212 -8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.709 -10.138 -9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.200 -11.073 -8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.053 -13.089 -9.197 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.042 -12.089 -10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.242 -12.444 -11.011 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.665 -12.000 -9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.278 -14.282 -9.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.081 -14.243 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.671 -14.673 -10.232 1.00 0.00 H new ATOM 871 N GLY A 61 2.399 -9.587 -7.460 1.00 0.00 N ATOM 872 CA GLY A 61 0.980 -9.380 -7.666 1.00 0.00 C ATOM 873 C GLY A 61 0.337 -10.644 -8.177 1.00 0.00 C ATOM 874 O GLY A 61 -0.536 -10.622 -9.044 1.00 0.00 O ATOM 0 H GLY A 61 2.620 -10.197 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.510 -9.077 -6.730 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.823 -8.570 -8.378 1.00 0.00 H new ATOM 878 N HIS A 62 0.797 -11.755 -7.629 1.00 0.00 N ATOM 879 CA HIS A 62 0.300 -13.073 -8.023 1.00 0.00 C ATOM 880 C HIS A 62 -0.187 -13.879 -6.822 1.00 0.00 C ATOM 881 O HIS A 62 -0.454 -15.075 -6.940 1.00 0.00 O ATOM 882 CB HIS A 62 1.403 -13.848 -8.745 1.00 0.00 C ATOM 883 CG HIS A 62 2.655 -13.993 -7.935 1.00 0.00 C ATOM 884 ND1 HIS A 62 3.820 -14.534 -8.434 1.00 0.00 N ATOM 885 CD2 HIS A 62 2.920 -13.659 -6.650 1.00 0.00 C ATOM 886 CE1 HIS A 62 4.747 -14.528 -7.493 1.00 0.00 C ATOM 887 NE2 HIS A 62 4.226 -14.002 -6.401 1.00 0.00 N ATOM 0 H HIS A 62 1.517 -11.776 -6.907 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.548 -12.920 -8.691 1.00 0.00 H new ATOM 0 HB2 HIS A 62 1.030 -14.839 -9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.641 -13.341 -9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.232 -13.207 -5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.758 -14.892 -7.599 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.714 -13.871 -5.515 1.00 0.00 H new ATOM 895 N LYS A 63 -0.300 -13.229 -5.671 1.00 0.00 N ATOM 896 CA LYS A 63 -0.753 -13.906 -4.460 1.00 0.00 C ATOM 897 C LYS A 63 -1.663 -13.004 -3.630 1.00 0.00 C ATOM 898 O LYS A 63 -1.240 -12.444 -2.617 1.00 0.00 O ATOM 899 CB LYS A 63 0.447 -14.347 -3.620 1.00 0.00 C ATOM 900 CG LYS A 63 1.445 -15.212 -4.372 1.00 0.00 C ATOM 901 CD LYS A 63 1.712 -16.518 -3.638 1.00 0.00 C ATOM 902 CE LYS A 63 0.506 -17.446 -3.695 1.00 0.00 C ATOM 903 NZ LYS A 63 -0.319 -17.373 -2.458 1.00 0.00 N ATOM 0 H LYS A 63 -0.086 -12.239 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.324 -14.784 -4.761 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.960 -13.461 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.086 -14.898 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.064 -15.426 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.380 -14.666 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.576 -17.015 -4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.962 -16.308 -2.598 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.110 -17.186 -4.556 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.845 -18.471 -3.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.037 -18.125 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.292 -17.496 -1.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.789 -16.447 -2.408 1.00 0.00 H new ATOM 917 N ALA A 64 -2.919 -12.891 -4.047 1.00 0.00 N ATOM 918 CA ALA A 64 -3.896 -12.084 -3.327 1.00 0.00 C ATOM 919 C ALA A 64 -4.100 -12.589 -1.897 1.00 0.00 C ATOM 920 O ALA A 64 -4.896 -13.500 -1.663 1.00 0.00 O ATOM 921 CB ALA A 64 -5.220 -12.069 -4.078 1.00 0.00 C ATOM 0 H ALA A 64 -3.285 -13.349 -4.882 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.509 -11.067 -3.265 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.942 -11.463 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.070 -11.646 -5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.597 -13.087 -4.171 1.00 0.00 H new ATOM 927 N GLY A 65 -3.395 -11.989 -0.941 1.00 0.00 N ATOM 928 CA GLY A 65 -3.537 -12.395 0.451 1.00 0.00 C ATOM 929 C GLY A 65 -2.399 -13.272 0.941 1.00 0.00 C ATOM 930 O GLY A 65 -2.598 -14.135 1.797 1.00 0.00 O ATOM 0 H GLY A 65 -2.730 -11.232 -1.102 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.596 -11.505 1.077 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.478 -12.932 0.571 1.00 0.00 H new ATOM 934 N GLU A 66 -1.201 -13.041 0.416 1.00 0.00 N ATOM 935 CA GLU A 66 -0.026 -13.805 0.826 1.00 0.00 C ATOM 936 C GLU A 66 0.815 -13.023 1.827 1.00 0.00 C ATOM 937 O GLU A 66 0.796 -11.796 1.826 1.00 0.00 O ATOM 938 CB GLU A 66 0.820 -14.180 -0.388 1.00 0.00 C ATOM 939 CG GLU A 66 1.760 -15.349 -0.134 1.00 0.00 C ATOM 940 CD GLU A 66 3.200 -15.030 -0.480 1.00 0.00 C ATOM 941 OE1 GLU A 66 3.460 -14.632 -1.637 1.00 0.00 O ATOM 942 OE2 GLU A 66 4.067 -15.177 0.404 1.00 0.00 O ATOM 0 H GLU A 66 -1.017 -12.332 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.374 -14.718 1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.159 -14.429 -1.219 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.405 -13.313 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.699 -15.637 0.915 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.432 -16.207 -0.720 1.00 0.00 H new ATOM 949 N GLU A 67 1.569 -13.736 2.659 1.00 0.00 N ATOM 950 CA GLU A 67 2.439 -13.098 3.643 1.00 0.00 C ATOM 951 C GLU A 67 3.895 -13.462 3.364 1.00 0.00 C ATOM 952 O GLU A 67 4.305 -14.605 3.554 1.00 0.00 O ATOM 953 CB GLU A 67 2.050 -13.520 5.062 1.00 0.00 C ATOM 954 CG GLU A 67 2.772 -12.736 6.146 1.00 0.00 C ATOM 955 CD GLU A 67 4.053 -13.410 6.600 1.00 0.00 C ATOM 956 OE1 GLU A 67 3.970 -14.351 7.416 1.00 0.00 O ATOM 957 OE2 GLU A 67 5.136 -12.997 6.137 1.00 0.00 O ATOM 0 H GLU A 67 1.595 -14.756 2.672 1.00 0.00 H new ATOM 0 HA GLU A 67 2.321 -12.017 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.975 -13.394 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.264 -14.581 5.189 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.003 -11.738 5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.109 -12.611 7.002 1.00 0.00 H new ATOM 964 N PHE A 68 4.664 -12.489 2.886 1.00 0.00 N ATOM 965 CA PHE A 68 6.067 -12.716 2.550 1.00 0.00 C ATOM 966 C PHE A 68 6.952 -11.578 3.047 1.00 0.00 C ATOM 967 O PHE A 68 6.465 -10.513 3.418 1.00 0.00 O ATOM 968 CB PHE A 68 6.209 -12.848 1.038 1.00 0.00 C ATOM 969 CG PHE A 68 5.587 -11.700 0.313 1.00 0.00 C ATOM 970 CD1 PHE A 68 6.282 -10.519 0.151 1.00 0.00 C ATOM 971 CD2 PHE A 68 4.299 -11.792 -0.185 1.00 0.00 C ATOM 972 CE1 PHE A 68 5.706 -9.447 -0.502 1.00 0.00 C ATOM 973 CE2 PHE A 68 3.717 -10.725 -0.836 1.00 0.00 C ATOM 974 CZ PHE A 68 4.421 -9.552 -0.995 1.00 0.00 C ATOM 0 H PHE A 68 4.340 -11.536 2.722 1.00 0.00 H new ATOM 0 HA PHE A 68 6.390 -13.634 3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.266 -12.911 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.744 -13.778 0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.286 -10.432 0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.743 -12.710 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.260 -8.528 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.711 -10.809 -1.220 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.968 -8.715 -1.505 1.00 0.00 H new ATOM 984 N THR A 69 8.257 -11.811 3.048 1.00 0.00 N ATOM 985 CA THR A 69 9.213 -10.804 3.492 1.00 0.00 C ATOM 986 C THR A 69 10.272 -10.566 2.428 1.00 0.00 C ATOM 987 O THR A 69 10.921 -11.509 1.973 1.00 0.00 O ATOM 988 CB THR A 69 9.878 -11.238 4.800 1.00 0.00 C ATOM 989 OG1 THR A 69 8.907 -11.599 5.764 1.00 0.00 O ATOM 990 CG2 THR A 69 10.756 -10.167 5.412 1.00 0.00 C ATOM 0 H THR A 69 8.679 -12.689 2.746 1.00 0.00 H new ATOM 0 HA THR A 69 8.672 -9.873 3.662 1.00 0.00 H new ATOM 0 HB THR A 69 10.504 -12.090 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.354 -11.875 6.591 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.196 -10.541 6.336 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.550 -9.904 4.713 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.155 -9.283 5.628 1.00 0.00 H new ATOM 998 N ILE A 70 10.459 -9.308 2.033 1.00 0.00 N ATOM 999 CA ILE A 70 11.456 -8.993 1.022 1.00 0.00 C ATOM 1000 C ILE A 70 12.291 -7.798 1.440 1.00 0.00 C ATOM 1001 O ILE A 70 11.919 -7.050 2.344 1.00 0.00 O ATOM 1002 CB ILE A 70 10.812 -8.720 -0.356 1.00 0.00 C ATOM 1003 CG1 ILE A 70 10.011 -7.413 -0.340 1.00 0.00 C ATOM 1004 CG2 ILE A 70 9.926 -9.886 -0.769 1.00 0.00 C ATOM 1005 CD1 ILE A 70 8.787 -7.460 0.549 1.00 0.00 C ATOM 0 H ILE A 70 9.942 -8.506 2.392 1.00 0.00 H new ATOM 0 HA ILE A 70 12.101 -9.867 0.930 1.00 0.00 H new ATOM 0 HB ILE A 70 11.612 -8.615 -1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.660 -6.603 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.701 -7.175 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.480 -9.678 -1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.526 -10.794 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.137 -10.023 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.271 -6.500 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 70 8.116 -8.247 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.090 -7.667 1.575 1.00 0.00 H new ATOM 1017 N ASP A 71 13.403 -7.603 0.754 1.00 0.00 N ATOM 1018 CA ASP A 71 14.274 -6.477 1.023 1.00 0.00 C ATOM 1019 C ASP A 71 13.905 -5.348 0.079 1.00 0.00 C ATOM 1020 O ASP A 71 13.508 -5.599 -1.054 1.00 0.00 O ATOM 1021 CB ASP A 71 15.739 -6.874 0.825 1.00 0.00 C ATOM 1022 CG ASP A 71 16.676 -6.139 1.763 1.00 0.00 C ATOM 1023 OD1 ASP A 71 16.364 -6.054 2.970 1.00 0.00 O ATOM 1024 OD2 ASP A 71 17.723 -5.649 1.291 1.00 0.00 O ATOM 0 H ASP A 71 13.724 -8.214 0.003 1.00 0.00 H new ATOM 0 HA ASP A 71 14.150 -6.154 2.057 1.00 0.00 H new ATOM 0 HB2 ASP A 71 15.844 -7.948 0.980 1.00 0.00 H new ATOM 0 HB3 ASP A 71 16.030 -6.671 -0.206 1.00 0.00 H new ATOM 1029 N VAL A 72 14.049 -4.111 0.521 1.00 0.00 N ATOM 1030 CA VAL A 72 13.734 -2.979 -0.341 1.00 0.00 C ATOM 1031 C VAL A 72 14.656 -1.809 -0.061 1.00 0.00 C ATOM 1032 O VAL A 72 14.873 -1.435 1.090 1.00 0.00 O ATOM 1033 CB VAL A 72 12.278 -2.506 -0.180 1.00 0.00 C ATOM 1034 CG1 VAL A 72 11.328 -3.414 -0.943 1.00 0.00 C ATOM 1035 CG2 VAL A 72 11.899 -2.429 1.287 1.00 0.00 C ATOM 0 H VAL A 72 14.376 -3.864 1.455 1.00 0.00 H new ATOM 0 HA VAL A 72 13.875 -3.330 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 72 12.195 -1.505 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.305 -3.060 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.586 -3.403 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.411 -4.431 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.866 -2.093 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.002 -3.414 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.557 -1.724 1.796 1.00 0.00 H new ATOM 1045 N THR A 73 15.181 -1.219 -1.119 1.00 0.00 N ATOM 1046 CA THR A 73 16.065 -0.073 -1.007 1.00 0.00 C ATOM 1047 C THR A 73 15.848 0.816 -2.220 1.00 0.00 C ATOM 1048 O THR A 73 15.973 0.363 -3.358 1.00 0.00 O ATOM 1049 CB THR A 73 17.527 -0.521 -0.921 1.00 0.00 C ATOM 1050 OG1 THR A 73 17.834 -0.985 0.383 1.00 0.00 O ATOM 1051 CG2 THR A 73 18.517 0.573 -1.264 1.00 0.00 C ATOM 0 H THR A 73 15.007 -1.520 -2.078 1.00 0.00 H new ATOM 0 HA THR A 73 15.839 0.480 -0.095 1.00 0.00 H new ATOM 0 HB THR A 73 17.625 -1.317 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.003 -1.165 0.870 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.532 0.184 -1.182 1.00 0.00 H new ATOM 0 HG22 THR A 73 18.341 0.916 -2.284 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.391 1.407 -0.574 1.00 0.00 H new ATOM 1059 N PHE A 74 15.510 2.071 -1.985 1.00 0.00 N ATOM 1060 CA PHE A 74 15.261 2.997 -3.076 1.00 0.00 C ATOM 1061 C PHE A 74 16.557 3.638 -3.570 1.00 0.00 C ATOM 1062 O PHE A 74 17.322 4.192 -2.782 1.00 0.00 O ATOM 1063 CB PHE A 74 14.252 4.044 -2.631 1.00 0.00 C ATOM 1064 CG PHE A 74 12.877 3.466 -2.459 1.00 0.00 C ATOM 1065 CD1 PHE A 74 12.642 2.444 -1.550 1.00 0.00 C ATOM 1066 CD2 PHE A 74 11.824 3.936 -3.218 1.00 0.00 C ATOM 1067 CE1 PHE A 74 11.375 1.904 -1.405 1.00 0.00 C ATOM 1068 CE2 PHE A 74 10.556 3.405 -3.079 1.00 0.00 C ATOM 1069 CZ PHE A 74 10.330 2.389 -2.173 1.00 0.00 C ATOM 0 H PHE A 74 15.402 2.472 -1.053 1.00 0.00 H new ATOM 0 HA PHE A 74 14.844 2.446 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.580 4.485 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.217 4.849 -3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 74 13.456 2.066 -0.949 1.00 0.00 H new ATOM 0 HD2 PHE A 74 11.994 4.730 -3.930 1.00 0.00 H new ATOM 0 HE1 PHE A 74 11.203 1.108 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 74 9.742 3.785 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 74 9.340 1.973 -2.063 1.00 0.00 H new ATOM 1079 N PRO A 75 16.825 3.563 -4.889 1.00 0.00 N ATOM 1080 CA PRO A 75 18.042 4.133 -5.480 1.00 0.00 C ATOM 1081 C PRO A 75 18.088 5.653 -5.392 1.00 0.00 C ATOM 1082 O PRO A 75 17.147 6.289 -4.917 1.00 0.00 O ATOM 1083 CB PRO A 75 17.976 3.691 -6.945 1.00 0.00 C ATOM 1084 CG PRO A 75 16.536 3.415 -7.201 1.00 0.00 C ATOM 1085 CD PRO A 75 15.973 2.913 -5.903 1.00 0.00 C ATOM 0 HA PRO A 75 18.934 3.793 -4.954 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.353 4.469 -7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.584 2.803 -7.117 1.00 0.00 H new ATOM 0 HG2 PRO A 75 16.018 4.317 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.415 2.674 -7.991 1.00 0.00 H new ATOM 0 HD2 PRO A 75 14.925 3.190 -5.785 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.025 1.826 -5.835 1.00 0.00 H new ATOM 1093 N GLU A 76 19.193 6.229 -5.856 1.00 0.00 N ATOM 1094 CA GLU A 76 19.372 7.676 -5.837 1.00 0.00 C ATOM 1095 C GLU A 76 18.504 8.357 -6.895 1.00 0.00 C ATOM 1096 O GLU A 76 18.346 9.578 -6.883 1.00 0.00 O ATOM 1097 CB GLU A 76 20.846 8.030 -6.063 1.00 0.00 C ATOM 1098 CG GLU A 76 21.610 8.298 -4.777 1.00 0.00 C ATOM 1099 CD GLU A 76 21.892 7.033 -3.990 1.00 0.00 C ATOM 1100 OE1 GLU A 76 20.935 6.277 -3.718 1.00 0.00 O ATOM 1101 OE2 GLU A 76 23.069 6.797 -3.645 1.00 0.00 O ATOM 0 H GLU A 76 19.980 5.714 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 76 19.061 8.039 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.329 7.214 -6.600 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.906 8.911 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 76 22.553 8.791 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 76 21.038 8.987 -4.156 1.00 0.00 H new ATOM 1108 N GLU A 77 17.948 7.568 -7.812 1.00 0.00 N ATOM 1109 CA GLU A 77 17.105 8.112 -8.870 1.00 0.00 C ATOM 1110 C GLU A 77 15.655 8.237 -8.407 1.00 0.00 C ATOM 1111 O GLU A 77 14.933 9.135 -8.840 1.00 0.00 O ATOM 1112 CB GLU A 77 17.189 7.240 -10.125 1.00 0.00 C ATOM 1113 CG GLU A 77 17.034 5.754 -9.852 1.00 0.00 C ATOM 1114 CD GLU A 77 16.514 4.994 -11.056 1.00 0.00 C ATOM 1115 OE1 GLU A 77 15.299 5.075 -11.328 1.00 0.00 O ATOM 1116 OE2 GLU A 77 17.322 4.318 -11.727 1.00 0.00 O ATOM 0 H GLU A 77 18.066 6.555 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 77 17.472 9.110 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 77 16.415 7.553 -10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 77 18.149 7.412 -10.612 1.00 0.00 H new ATOM 0 HG2 GLU A 77 17.997 5.340 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 77 16.352 5.611 -9.014 1.00 0.00 H new ATOM 1123 N TYR A 78 15.235 7.340 -7.519 1.00 0.00 N ATOM 1124 CA TYR A 78 13.872 7.364 -6.993 1.00 0.00 C ATOM 1125 C TYR A 78 13.671 8.585 -6.104 1.00 0.00 C ATOM 1126 O TYR A 78 12.958 9.523 -6.463 1.00 0.00 O ATOM 1127 CB TYR A 78 13.586 6.087 -6.194 1.00 0.00 C ATOM 1128 CG TYR A 78 12.117 5.742 -6.099 1.00 0.00 C ATOM 1129 CD1 TYR A 78 11.256 6.457 -5.270 1.00 0.00 C ATOM 1130 CD2 TYR A 78 11.592 4.697 -6.842 1.00 0.00 C ATOM 1131 CE1 TYR A 78 9.915 6.133 -5.189 1.00 0.00 C ATOM 1132 CE2 TYR A 78 10.252 4.370 -6.770 1.00 0.00 C ATOM 1133 CZ TYR A 78 9.418 5.090 -5.942 1.00 0.00 C ATOM 1134 OH TYR A 78 8.082 4.767 -5.866 1.00 0.00 O ATOM 0 H TYR A 78 15.817 6.589 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 78 13.179 7.418 -7.833 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.116 5.254 -6.656 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.988 6.202 -5.188 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.642 7.277 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 78 12.243 4.128 -7.489 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.259 6.694 -4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.860 3.554 -7.359 1.00 0.00 H new ATOM 0 HH TYR A 78 7.894 4.010 -6.459 1.00 0.00 H new ATOM 1144 N HIS A 79 14.326 8.563 -4.949 1.00 0.00 N ATOM 1145 CA HIS A 79 14.266 9.650 -3.979 1.00 0.00 C ATOM 1146 C HIS A 79 12.891 10.319 -3.905 1.00 0.00 C ATOM 1147 O HIS A 79 12.707 11.435 -4.392 1.00 0.00 O ATOM 1148 CB HIS A 79 15.347 10.682 -4.294 1.00 0.00 C ATOM 1149 CG HIS A 79 16.694 10.268 -3.796 1.00 0.00 C ATOM 1150 ND1 HIS A 79 17.751 11.143 -3.650 1.00 0.00 N ATOM 1151 CD2 HIS A 79 17.152 9.059 -3.393 1.00 0.00 C ATOM 1152 CE1 HIS A 79 18.799 10.489 -3.180 1.00 0.00 C ATOM 1153 NE2 HIS A 79 18.461 9.224 -3.014 1.00 0.00 N ATOM 0 H HIS A 79 14.918 7.785 -4.657 1.00 0.00 H new ATOM 0 HA HIS A 79 14.444 9.212 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 79 15.393 10.838 -5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 79 15.075 11.637 -3.845 1.00 0.00 H new ATOM 0 HD2 HIS A 79 16.591 8.136 -3.373 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.768 10.917 -2.968 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.073 8.488 -2.661 1.00 0.00 H new ATOM 1161 N ALA A 80 11.936 9.639 -3.270 1.00 0.00 N ATOM 1162 CA ALA A 80 10.590 10.175 -3.107 1.00 0.00 C ATOM 1163 C ALA A 80 10.524 11.088 -1.881 1.00 0.00 C ATOM 1164 O ALA A 80 11.197 10.854 -0.881 1.00 0.00 O ATOM 1165 CB ALA A 80 9.577 9.045 -2.992 1.00 0.00 C ATOM 0 H ALA A 80 12.073 8.715 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 80 10.343 10.767 -3.989 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.578 9.463 -2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.608 8.435 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.819 8.426 -2.128 1.00 0.00 H new ATOM 1171 N GLU A 81 9.722 12.137 -1.974 1.00 0.00 N ATOM 1172 CA GLU A 81 9.581 13.104 -0.888 1.00 0.00 C ATOM 1173 C GLU A 81 9.303 12.449 0.470 1.00 0.00 C ATOM 1174 O GLU A 81 9.615 13.027 1.512 1.00 0.00 O ATOM 1175 CB GLU A 81 8.453 14.085 -1.212 1.00 0.00 C ATOM 1176 CG GLU A 81 7.090 13.421 -1.328 1.00 0.00 C ATOM 1177 CD GLU A 81 6.266 13.973 -2.475 1.00 0.00 C ATOM 1178 OE1 GLU A 81 6.862 14.344 -3.509 1.00 0.00 O ATOM 1179 OE2 GLU A 81 5.027 14.035 -2.340 1.00 0.00 O ATOM 0 H GLU A 81 9.154 12.344 -2.795 1.00 0.00 H new ATOM 0 HA GLU A 81 10.536 13.624 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.412 14.849 -0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.682 14.594 -2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.224 12.348 -1.465 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.543 13.557 -0.395 1.00 0.00 H new ATOM 1186 N ASN A 82 8.684 11.272 0.466 1.00 0.00 N ATOM 1187 CA ASN A 82 8.339 10.600 1.719 1.00 0.00 C ATOM 1188 C ASN A 82 9.379 9.571 2.178 1.00 0.00 C ATOM 1189 O ASN A 82 9.606 9.420 3.378 1.00 0.00 O ATOM 1190 CB ASN A 82 6.969 9.931 1.594 1.00 0.00 C ATOM 1191 CG ASN A 82 6.884 8.999 0.402 1.00 0.00 C ATOM 1192 OD1 ASN A 82 6.244 9.312 -0.602 1.00 0.00 O ATOM 1193 ND2 ASN A 82 7.531 7.848 0.508 1.00 0.00 N ATOM 0 H ASN A 82 8.413 10.767 -0.378 1.00 0.00 H new ATOM 0 HA ASN A 82 8.317 11.377 2.483 1.00 0.00 H new ATOM 0 HB2 ASN A 82 6.758 9.371 2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.200 10.699 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 82 7.511 7.179 -0.262 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.049 7.631 1.359 1.00 0.00 H new ATOM 1200 N LEU A 83 9.987 8.841 1.246 1.00 0.00 N ATOM 1201 CA LEU A 83 10.965 7.814 1.622 1.00 0.00 C ATOM 1202 C LEU A 83 12.227 7.845 0.760 1.00 0.00 C ATOM 1203 O LEU A 83 12.979 6.879 0.720 1.00 0.00 O ATOM 1204 CB LEU A 83 10.313 6.422 1.565 1.00 0.00 C ATOM 1205 CG LEU A 83 10.217 5.742 0.183 1.00 0.00 C ATOM 1206 CD1 LEU A 83 10.088 6.736 -0.963 1.00 0.00 C ATOM 1207 CD2 LEU A 83 11.415 4.847 -0.049 1.00 0.00 C ATOM 0 H LEU A 83 9.827 8.935 0.243 1.00 0.00 H new ATOM 0 HA LEU A 83 11.280 8.034 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.871 5.761 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 83 9.305 6.505 1.971 1.00 0.00 H new ATOM 0 HG LEU A 83 9.304 5.146 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.025 6.196 -1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 83 9.187 7.334 -0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.960 7.390 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.332 4.375 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 83 12.327 5.442 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.450 4.078 0.723 1.00 0.00 H new ATOM 1219 N LYS A 84 12.453 8.952 0.079 1.00 0.00 N ATOM 1220 CA LYS A 84 13.622 9.107 -0.791 1.00 0.00 C ATOM 1221 C LYS A 84 14.864 8.379 -0.266 1.00 0.00 C ATOM 1222 O LYS A 84 15.322 8.627 0.849 1.00 0.00 O ATOM 1223 CB LYS A 84 13.946 10.590 -0.997 1.00 0.00 C ATOM 1224 CG LYS A 84 14.096 11.370 0.298 1.00 0.00 C ATOM 1225 CD LYS A 84 15.470 12.015 0.402 1.00 0.00 C ATOM 1226 CE LYS A 84 15.731 12.557 1.797 1.00 0.00 C ATOM 1227 NZ LYS A 84 17.124 12.283 2.248 1.00 0.00 N ATOM 0 H LYS A 84 11.842 9.768 0.107 1.00 0.00 H new ATOM 0 HA LYS A 84 13.356 8.647 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.869 10.674 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.157 11.045 -1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.326 12.140 0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.940 10.703 1.146 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.236 11.283 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.548 12.825 -0.324 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.551 13.632 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.028 12.108 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.262 12.669 3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.289 11.256 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.796 12.733 1.593 1.00 0.00 H new ATOM 1241 N GLY A 85 15.405 7.490 -1.101 1.00 0.00 N ATOM 1242 CA GLY A 85 16.599 6.736 -0.747 1.00 0.00 C ATOM 1243 C GLY A 85 16.487 6.006 0.578 1.00 0.00 C ATOM 1244 O GLY A 85 17.351 6.150 1.442 1.00 0.00 O ATOM 0 H GLY A 85 15.032 7.278 -2.026 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.808 6.012 -1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.449 7.417 -0.706 1.00 0.00 H new ATOM 1248 N LYS A 86 15.430 5.219 0.743 1.00 0.00 N ATOM 1249 CA LYS A 86 15.236 4.468 1.979 1.00 0.00 C ATOM 1250 C LYS A 86 15.682 3.014 1.844 1.00 0.00 C ATOM 1251 O LYS A 86 14.886 2.143 1.493 1.00 0.00 O ATOM 1252 CB LYS A 86 13.775 4.520 2.426 1.00 0.00 C ATOM 1253 CG LYS A 86 13.610 4.771 3.916 1.00 0.00 C ATOM 1254 CD LYS A 86 13.076 6.167 4.197 1.00 0.00 C ATOM 1255 CE LYS A 86 14.056 7.240 3.745 1.00 0.00 C ATOM 1256 NZ LYS A 86 14.017 8.439 4.626 1.00 0.00 N ATOM 0 H LYS A 86 14.700 5.084 0.044 1.00 0.00 H new ATOM 0 HA LYS A 86 15.860 4.943 2.736 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.261 5.306 1.873 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.290 3.579 2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.930 4.030 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.570 4.642 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.124 6.303 3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.882 6.276 5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.065 6.829 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.824 7.535 2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.699 9.145 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.061 8.848 4.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.264 8.164 5.598 1.00 0.00 H new ATOM 1270 N ALA A 87 16.947 2.751 2.155 1.00 0.00 N ATOM 1271 CA ALA A 87 17.472 1.392 2.102 1.00 0.00 C ATOM 1272 C ALA A 87 17.014 0.635 3.342 1.00 0.00 C ATOM 1273 O ALA A 87 17.599 0.778 4.415 1.00 0.00 O ATOM 1274 CB ALA A 87 18.993 1.411 2.014 1.00 0.00 C ATOM 0 H ALA A 87 17.624 3.457 2.445 1.00 0.00 H new ATOM 0 HA ALA A 87 17.093 0.889 1.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 19.368 0.388 1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.299 1.944 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.402 1.914 2.890 1.00 0.00 H new ATOM 1280 N ALA A 88 15.933 -0.132 3.209 1.00 0.00 N ATOM 1281 CA ALA A 88 15.385 -0.850 4.353 1.00 0.00 C ATOM 1282 C ALA A 88 14.997 -2.295 4.055 1.00 0.00 C ATOM 1283 O ALA A 88 15.256 -2.835 2.981 1.00 0.00 O ATOM 1284 CB ALA A 88 14.176 -0.087 4.889 1.00 0.00 C ATOM 0 H ALA A 88 15.427 -0.270 2.334 1.00 0.00 H new ATOM 0 HA ALA A 88 16.179 -0.903 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 88 13.761 -0.618 5.745 1.00 0.00 H new ATOM 0 HB2 ALA A 88 14.484 0.912 5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 88 13.419 -0.009 4.108 1.00 0.00 H new ATOM 1290 N LYS A 89 14.347 -2.887 5.048 1.00 0.00 N ATOM 1291 CA LYS A 89 13.855 -4.254 4.985 1.00 0.00 C ATOM 1292 C LYS A 89 12.373 -4.228 5.323 1.00 0.00 C ATOM 1293 O LYS A 89 11.971 -3.513 6.238 1.00 0.00 O ATOM 1294 CB LYS A 89 14.632 -5.141 5.967 1.00 0.00 C ATOM 1295 CG LYS A 89 13.994 -6.500 6.229 1.00 0.00 C ATOM 1296 CD LYS A 89 14.014 -6.848 7.711 1.00 0.00 C ATOM 1297 CE LYS A 89 13.291 -5.798 8.543 1.00 0.00 C ATOM 1298 NZ LYS A 89 12.858 -6.334 9.864 1.00 0.00 N ATOM 0 H LYS A 89 14.144 -2.422 5.933 1.00 0.00 H new ATOM 0 HA LYS A 89 13.998 -4.671 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 89 15.639 -5.295 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.732 -4.612 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.965 -6.496 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 89 14.526 -7.267 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 89 13.545 -7.820 7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.046 -6.935 8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.948 -4.942 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.420 -5.437 7.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.370 -5.587 10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.211 -7.135 9.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.691 -6.655 10.398 1.00 0.00 H new ATOM 1312 N PHE A 90 11.569 -5.022 4.628 1.00 0.00 N ATOM 1313 CA PHE A 90 10.130 -5.080 4.906 1.00 0.00 C ATOM 1314 C PHE A 90 9.606 -6.507 4.898 1.00 0.00 C ATOM 1315 O PHE A 90 10.150 -7.375 4.215 1.00 0.00 O ATOM 1316 CB PHE A 90 9.308 -4.343 3.843 1.00 0.00 C ATOM 1317 CG PHE A 90 9.526 -2.867 3.708 1.00 0.00 C ATOM 1318 CD1 PHE A 90 10.289 -2.148 4.606 1.00 0.00 C ATOM 1319 CD2 PHE A 90 8.922 -2.202 2.663 1.00 0.00 C ATOM 1320 CE1 PHE A 90 10.452 -0.784 4.459 1.00 0.00 C ATOM 1321 CE2 PHE A 90 9.075 -0.837 2.508 1.00 0.00 C ATOM 1322 CZ PHE A 90 9.842 -0.128 3.408 1.00 0.00 C ATOM 0 H PHE A 90 11.880 -5.632 3.872 1.00 0.00 H new ATOM 0 HA PHE A 90 10.020 -4.618 5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 90 9.514 -4.804 2.877 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.252 -4.510 4.057 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.763 -2.657 5.432 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.321 -2.755 1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 90 11.055 -0.232 5.165 1.00 0.00 H new ATOM 0 HE2 PHE A 90 8.596 -0.328 1.685 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.966 0.939 3.291 1.00 0.00 H new ATOM 1332 N ALA A 91 8.495 -6.723 5.591 1.00 0.00 N ATOM 1333 CA ALA A 91 7.828 -8.008 5.602 1.00 0.00 C ATOM 1334 C ALA A 91 6.407 -7.709 5.161 1.00 0.00 C ATOM 1335 O ALA A 91 5.628 -7.098 5.891 1.00 0.00 O ATOM 1336 CB ALA A 91 7.857 -8.643 6.986 1.00 0.00 C ATOM 0 H ALA A 91 8.036 -6.011 6.158 1.00 0.00 H new ATOM 0 HA ALA A 91 8.319 -8.726 4.945 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.347 -9.606 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.891 -8.790 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.353 -7.988 7.697 1.00 0.00 H new ATOM 1342 N ILE A 92 6.126 -8.041 3.910 1.00 0.00 N ATOM 1343 CA ILE A 92 4.851 -7.703 3.299 1.00 0.00 C ATOM 1344 C ILE A 92 3.851 -8.849 3.204 1.00 0.00 C ATOM 1345 O ILE A 92 4.202 -10.025 3.223 1.00 0.00 O ATOM 1346 CB ILE A 92 5.102 -7.166 1.873 1.00 0.00 C ATOM 1347 CG1 ILE A 92 6.155 -6.046 1.897 1.00 0.00 C ATOM 1348 CG2 ILE A 92 3.803 -6.709 1.232 1.00 0.00 C ATOM 1349 CD1 ILE A 92 6.123 -5.123 0.697 1.00 0.00 C ATOM 0 H ILE A 92 6.766 -8.546 3.297 1.00 0.00 H new ATOM 0 HA ILE A 92 4.404 -6.960 3.959 1.00 0.00 H new ATOM 0 HB ILE A 92 5.497 -7.975 1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.013 -5.452 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 92 7.145 -6.498 1.965 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.005 -6.335 0.228 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.111 -7.549 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.360 -5.915 1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 92 6.900 -4.365 0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.298 -5.700 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.149 -4.638 0.637 1.00 0.00 H new ATOM 1361 N ASN A 93 2.590 -8.454 3.047 1.00 0.00 N ATOM 1362 CA ASN A 93 1.485 -9.380 2.879 1.00 0.00 C ATOM 1363 C ASN A 93 0.589 -8.870 1.746 1.00 0.00 C ATOM 1364 O ASN A 93 -0.156 -7.906 1.921 1.00 0.00 O ATOM 1365 CB ASN A 93 0.692 -9.514 4.183 1.00 0.00 C ATOM 1366 CG ASN A 93 -0.538 -10.391 4.049 1.00 0.00 C ATOM 1367 OD1 ASN A 93 -1.027 -10.643 2.948 1.00 0.00 O ATOM 1368 ND2 ASN A 93 -1.052 -10.857 5.181 1.00 0.00 N ATOM 0 H ASN A 93 2.309 -7.473 3.033 1.00 0.00 H new ATOM 0 HA ASN A 93 1.867 -10.369 2.625 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.342 -9.927 4.955 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.388 -8.523 4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -1.883 -11.448 5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.616 -10.624 6.073 1.00 0.00 H new ATOM 1375 N LEU A 94 0.689 -9.503 0.583 1.00 0.00 N ATOM 1376 CA LEU A 94 -0.086 -9.094 -0.588 1.00 0.00 C ATOM 1377 C LEU A 94 -1.578 -9.319 -0.388 1.00 0.00 C ATOM 1378 O LEU A 94 -1.982 -10.140 0.433 1.00 0.00 O ATOM 1379 CB LEU A 94 0.395 -9.855 -1.823 1.00 0.00 C ATOM 1380 CG LEU A 94 -0.129 -9.332 -3.159 1.00 0.00 C ATOM 1381 CD1 LEU A 94 0.551 -8.020 -3.518 1.00 0.00 C ATOM 1382 CD2 LEU A 94 0.086 -10.365 -4.252 1.00 0.00 C ATOM 0 H LEU A 94 1.300 -10.304 0.423 1.00 0.00 H new ATOM 0 HA LEU A 94 0.071 -8.025 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.484 -9.829 -1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.103 -10.900 -1.721 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.199 -9.149 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.167 -7.660 -4.473 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.348 -7.281 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.627 -8.177 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.292 -9.978 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.151 -10.578 -4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.446 -11.281 -3.996 1.00 0.00 H new ATOM 1394 N LYS A 95 -2.396 -8.591 -1.154 1.00 0.00 N ATOM 1395 CA LYS A 95 -3.844 -8.723 -1.064 1.00 0.00 C ATOM 1396 C LYS A 95 -4.517 -8.395 -2.404 1.00 0.00 C ATOM 1397 O LYS A 95 -4.510 -9.213 -3.322 1.00 0.00 O ATOM 1398 CB LYS A 95 -4.398 -7.837 0.059 1.00 0.00 C ATOM 1399 CG LYS A 95 -4.255 -8.446 1.446 1.00 0.00 C ATOM 1400 CD LYS A 95 -5.611 -8.720 2.081 1.00 0.00 C ATOM 1401 CE LYS A 95 -5.658 -10.098 2.726 1.00 0.00 C ATOM 1402 NZ LYS A 95 -6.747 -10.945 2.160 1.00 0.00 N ATOM 0 H LYS A 95 -2.076 -7.907 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.073 -9.762 -0.825 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.883 -6.876 0.039 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -5.452 -7.638 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.690 -9.375 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -3.684 -7.771 2.083 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.823 -7.959 2.832 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -6.391 -8.645 1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -4.700 -10.597 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.805 -9.990 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.743 -11.874 2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -7.665 -10.482 2.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.594 -11.071 1.139 1.00 0.00 H new ATOM 1416 N LYS A 96 -5.140 -7.221 -2.503 1.00 0.00 N ATOM 1417 CA LYS A 96 -5.850 -6.851 -3.721 1.00 0.00 C ATOM 1418 C LYS A 96 -4.905 -6.486 -4.857 1.00 0.00 C ATOM 1419 O LYS A 96 -4.356 -5.386 -4.901 1.00 0.00 O ATOM 1420 CB LYS A 96 -6.797 -5.681 -3.448 1.00 0.00 C ATOM 1421 CG LYS A 96 -8.005 -6.061 -2.605 1.00 0.00 C ATOM 1422 CD LYS A 96 -8.081 -5.235 -1.331 1.00 0.00 C ATOM 1423 CE LYS A 96 -9.277 -5.633 -0.480 1.00 0.00 C ATOM 1424 NZ LYS A 96 -8.944 -5.646 0.971 1.00 0.00 N ATOM 0 H LYS A 96 -5.166 -6.519 -1.763 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.420 -7.726 -4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.246 -4.888 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -7.141 -5.273 -4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.915 -5.917 -3.187 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.953 -7.120 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.164 -5.366 -0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -8.150 -4.177 -1.585 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.097 -4.938 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.625 -6.621 -0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.785 -5.922 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -8.178 -6.328 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.636 -4.697 1.265 1.00 0.00 H new ATOM 1438 N VAL A 97 -4.746 -7.416 -5.795 1.00 0.00 N ATOM 1439 CA VAL A 97 -3.908 -7.213 -6.966 1.00 0.00 C ATOM 1440 C VAL A 97 -4.788 -7.132 -8.212 1.00 0.00 C ATOM 1441 O VAL A 97 -5.331 -8.140 -8.664 1.00 0.00 O ATOM 1442 CB VAL A 97 -2.886 -8.365 -7.120 1.00 0.00 C ATOM 1443 CG1 VAL A 97 -3.540 -9.719 -6.854 1.00 0.00 C ATOM 1444 CG2 VAL A 97 -2.235 -8.343 -8.502 1.00 0.00 C ATOM 0 H VAL A 97 -5.196 -8.331 -5.762 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.356 -6.281 -6.843 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.104 -8.214 -6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.799 -10.510 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.937 -9.738 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -4.352 -9.877 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.522 -9.163 -8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -3.003 -8.454 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.715 -7.395 -8.644 1.00 0.00 H new ATOM 1454 N GLU A 98 -4.943 -5.928 -8.749 1.00 0.00 N ATOM 1455 CA GLU A 98 -5.778 -5.721 -9.928 1.00 0.00 C ATOM 1456 C GLU A 98 -4.988 -5.062 -11.058 1.00 0.00 C ATOM 1457 O GLU A 98 -3.789 -4.838 -10.926 1.00 0.00 O ATOM 1458 CB GLU A 98 -6.991 -4.873 -9.545 1.00 0.00 C ATOM 1459 CG GLU A 98 -7.772 -5.438 -8.368 1.00 0.00 C ATOM 1460 CD GLU A 98 -8.449 -4.363 -7.541 1.00 0.00 C ATOM 1461 OE1 GLU A 98 -7.749 -3.676 -6.767 1.00 0.00 O ATOM 1462 OE2 GLU A 98 -9.683 -4.208 -7.666 1.00 0.00 O ATOM 0 H GLU A 98 -4.503 -5.081 -8.389 1.00 0.00 H new ATOM 0 HA GLU A 98 -6.117 -6.690 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.658 -3.864 -9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.654 -4.790 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.525 -6.133 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.097 -6.009 -7.731 1.00 0.00 H new ATOM 1469 N GLU A 99 -5.659 -4.763 -12.172 1.00 0.00 N ATOM 1470 CA GLU A 99 -4.996 -4.140 -13.321 1.00 0.00 C ATOM 1471 C GLU A 99 -5.409 -2.687 -13.492 1.00 0.00 C ATOM 1472 O GLU A 99 -6.343 -2.376 -14.227 1.00 0.00 O ATOM 1473 CB GLU A 99 -5.304 -4.913 -14.604 1.00 0.00 C ATOM 1474 CG GLU A 99 -4.315 -4.648 -15.727 1.00 0.00 C ATOM 1475 CD GLU A 99 -4.938 -3.903 -16.893 1.00 0.00 C ATOM 1476 OE1 GLU A 99 -5.910 -4.424 -17.479 1.00 0.00 O ATOM 1477 OE2 GLU A 99 -4.454 -2.798 -17.218 1.00 0.00 O ATOM 0 H GLU A 99 -6.655 -4.940 -12.304 1.00 0.00 H new ATOM 0 HA GLU A 99 -3.924 -4.169 -13.127 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.311 -5.980 -14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.306 -4.651 -14.944 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -3.477 -4.070 -15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.911 -5.596 -16.081 1.00 0.00 H new ATOM 1484 N ARG A 100 -4.687 -1.800 -12.823 1.00 0.00 N ATOM 1485 CA ARG A 100 -4.959 -0.373 -12.903 1.00 0.00 C ATOM 1486 C ARG A 100 -4.551 0.194 -14.254 1.00 0.00 C ATOM 1487 O ARG A 100 -3.452 -0.064 -14.745 1.00 0.00 O ATOM 1488 CB ARG A 100 -4.212 0.352 -11.794 1.00 0.00 C ATOM 1489 CG ARG A 100 -2.701 0.217 -11.900 1.00 0.00 C ATOM 1490 CD ARG A 100 -2.023 1.566 -12.074 1.00 0.00 C ATOM 1491 NE ARG A 100 -0.762 1.445 -12.799 1.00 0.00 N ATOM 1492 CZ ARG A 100 -0.024 2.480 -13.188 1.00 0.00 C ATOM 1493 NH1 ARG A 100 -0.409 3.720 -12.913 1.00 0.00 N ATOM 1494 NH2 ARG A 100 1.105 2.275 -13.850 1.00 0.00 N ATOM 0 H ARG A 100 -3.905 -2.045 -12.216 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.032 -0.224 -12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -4.478 1.409 -11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.538 -0.038 -10.830 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.316 -0.270 -11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -2.452 -0.426 -12.744 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.689 2.242 -12.611 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -1.840 2.010 -11.096 1.00 0.00 H new ATOM 0 HE ARG A 100 -0.426 0.508 -13.021 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.276 3.883 -12.400 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.162 4.510 -13.214 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.407 1.324 -14.061 1.00 0.00 H new ATOM 0 HH22 ARG A 100 1.672 3.068 -14.149 1.00 0.00 H new ATOM 1508 N GLU A 101 -5.444 0.977 -14.846 1.00 0.00 N ATOM 1509 CA GLU A 101 -5.182 1.593 -16.137 1.00 0.00 C ATOM 1510 C GLU A 101 -6.055 2.829 -16.329 1.00 0.00 C ATOM 1511 O GLU A 101 -7.029 2.804 -17.080 1.00 0.00 O ATOM 1512 CB GLU A 101 -5.432 0.593 -17.266 1.00 0.00 C ATOM 1513 CG GLU A 101 -4.780 0.988 -18.581 1.00 0.00 C ATOM 1514 CD GLU A 101 -5.035 -0.020 -19.685 1.00 0.00 C ATOM 1515 OE1 GLU A 101 -5.021 -1.234 -19.395 1.00 0.00 O ATOM 1516 OE2 GLU A 101 -5.249 0.407 -20.839 1.00 0.00 O ATOM 0 H GLU A 101 -6.357 1.200 -14.450 1.00 0.00 H new ATOM 0 HA GLU A 101 -4.136 1.898 -16.164 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -5.058 -0.385 -16.964 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -6.506 0.490 -17.419 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.157 1.963 -18.890 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.705 1.094 -18.432 1.00 0.00 H new ATOM 1523 N LEU A 102 -5.698 3.906 -15.639 1.00 0.00 N ATOM 1524 CA LEU A 102 -6.444 5.152 -15.730 1.00 0.00 C ATOM 1525 C LEU A 102 -6.176 5.859 -17.057 1.00 0.00 C ATOM 1526 O LEU A 102 -7.111 6.198 -17.783 1.00 0.00 O ATOM 1527 CB LEU A 102 -6.074 6.073 -14.564 1.00 0.00 C ATOM 1528 CG LEU A 102 -6.793 5.781 -13.244 1.00 0.00 C ATOM 1529 CD1 LEU A 102 -6.774 4.290 -12.938 1.00 0.00 C ATOM 1530 CD2 LEU A 102 -6.154 6.564 -12.111 1.00 0.00 C ATOM 0 H LEU A 102 -4.896 3.940 -15.010 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.507 4.914 -15.679 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.999 6.005 -14.396 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.286 7.102 -14.854 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.832 6.095 -13.342 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.290 4.105 -11.996 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.276 3.748 -13.739 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.742 3.948 -12.859 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.676 6.346 -11.179 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.107 6.277 -12.016 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.220 7.631 -12.323 1.00 0.00 H new ATOM 1542 N PRO A 103 -4.895 6.090 -17.400 1.00 0.00 N ATOM 1543 CA PRO A 103 -4.526 6.758 -18.652 1.00 0.00 C ATOM 1544 C PRO A 103 -4.779 5.880 -19.872 1.00 0.00 C ATOM 1545 O PRO A 103 -4.052 4.916 -20.115 1.00 0.00 O ATOM 1546 CB PRO A 103 -3.031 7.030 -18.486 1.00 0.00 C ATOM 1547 CG PRO A 103 -2.558 5.989 -17.533 1.00 0.00 C ATOM 1548 CD PRO A 103 -3.708 5.721 -16.602 1.00 0.00 C ATOM 0 HA PRO A 103 -5.117 7.658 -18.823 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.508 6.960 -19.440 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -2.852 8.033 -18.097 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.265 5.082 -18.061 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.683 6.334 -16.982 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.740 4.675 -16.296 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.635 6.318 -15.693 1.00 0.00 H new ATOM 1556 N GLU A 104 -5.813 6.218 -20.637 1.00 0.00 N ATOM 1557 CA GLU A 104 -6.161 5.459 -21.832 1.00 0.00 C ATOM 1558 C GLU A 104 -5.447 6.016 -23.058 1.00 0.00 C ATOM 1559 O GLU A 104 -5.460 7.223 -23.301 1.00 0.00 O ATOM 1560 CB GLU A 104 -7.673 5.484 -22.055 1.00 0.00 C ATOM 1561 CG GLU A 104 -8.185 4.315 -22.883 1.00 0.00 C ATOM 1562 CD GLU A 104 -9.121 3.411 -22.106 1.00 0.00 C ATOM 1563 OE1 GLU A 104 -10.268 3.831 -21.842 1.00 0.00 O ATOM 1564 OE2 GLU A 104 -8.710 2.285 -21.761 1.00 0.00 O ATOM 0 H GLU A 104 -6.424 7.013 -20.450 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.839 4.428 -21.683 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -8.175 5.481 -21.087 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -7.943 6.416 -22.551 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.703 4.698 -23.762 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.338 3.731 -23.242 1.00 0.00 H new ATOM 1571 N LEU A 105 -4.821 5.130 -23.825 1.00 0.00 N ATOM 1572 CA LEU A 105 -4.099 5.534 -25.026 1.00 0.00 C ATOM 1573 C LEU A 105 -4.857 5.126 -26.284 1.00 0.00 C ATOM 1574 O LEU A 105 -5.915 4.498 -26.208 1.00 0.00 O ATOM 1575 CB LEU A 105 -2.699 4.915 -25.039 1.00 0.00 C ATOM 1576 CG LEU A 105 -1.672 5.607 -24.139 1.00 0.00 C ATOM 1577 CD1 LEU A 105 -1.627 7.100 -24.431 1.00 0.00 C ATOM 1578 CD2 LEU A 105 -1.990 5.355 -22.670 1.00 0.00 C ATOM 0 H LEU A 105 -4.799 4.128 -23.637 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.010 6.620 -25.014 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.778 3.871 -24.737 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.325 4.923 -26.063 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.689 5.187 -24.352 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.892 7.576 -23.782 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.348 7.259 -25.473 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.609 7.536 -24.248 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.249 5.855 -22.046 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.981 5.746 -22.440 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.968 4.283 -22.472 1.00 0.00 H new ATOM 1590 N THR A 106 -4.312 5.489 -27.440 1.00 0.00 N ATOM 1591 CA THR A 106 -4.937 5.163 -28.717 1.00 0.00 C ATOM 1592 C THR A 106 -3.923 5.240 -29.854 1.00 0.00 C ATOM 1593 O THR A 106 -3.729 4.217 -30.543 1.00 0.00 O ATOM 1594 CB THR A 106 -6.103 6.113 -28.993 1.00 0.00 C ATOM 1595 OG1 THR A 106 -6.729 6.504 -27.783 1.00 0.00 O ATOM 1596 CG2 THR A 106 -7.166 5.513 -29.887 1.00 0.00 C ATOM 1597 OXT THR A 106 -3.331 6.324 -30.045 1.00 0.00 O ATOM 0 H THR A 106 -3.438 6.009 -27.519 1.00 0.00 H new ATOM 0 HA THR A 106 -5.314 4.142 -28.660 1.00 0.00 H new ATOM 0 HB THR A 106 -5.663 6.969 -29.504 1.00 0.00 H new ATOM 0 HG1 THR A 106 -6.845 5.720 -27.206 1.00 0.00 H new ATOM 0 HG21 THR A 106 -7.964 6.240 -30.042 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.726 5.247 -30.848 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.576 4.620 -29.416 1.00 0.00 H new TER 1605 THR A 106