USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 726 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 60 SER OG : rot -109:sc= 1.03 USER MOD Set 1.2: A 62 ASN : amide:sc= 1.2 K(o=2.2,f=-0.72) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 4 THR OG1 : rot 148:sc= -0.067 USER MOD Set 3.2: A 7 GLN : amide:sc= -0.0496 X(o=-0.12,f=-0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -23:sc= 0.907 USER MOD Single : A 10 GLN :FLIP amide:sc= -2.8! C(o=-4.2!,f=-2.8!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -1.12! X(o=-1.1!,f=-1.3) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.136) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.262! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -150:sc= -0.728 USER MOD Single : A 46 MET CE :methyl -149:sc= -4.16! (180deg=-10.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 103:sc= -0.211 USER MOD Single : A 58 LYS NZ :NH3+ -102:sc= 0.916 (180deg=-0.972) USER MOD Single : A 59 MET CE :methyl -133:sc= -0.629 (180deg=-3.94!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 116:sc= -3.94! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -170:sc= -4.12! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0112 X(o=-0.011,f=-0.15) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -1.62 F(o=-2.5!,f=-1.6) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.130 -12.190 -7.584 1.00 0.00 N ATOM 9 CA PRO A 0 -9.832 -11.623 -6.446 1.00 0.00 C ATOM 10 C PRO A 0 -10.763 -10.491 -6.885 1.00 0.00 C ATOM 11 O PRO A 0 -11.088 -10.372 -8.065 1.00 0.00 O ATOM 12 CB PRO A 0 -8.737 -11.157 -5.500 1.00 0.00 C ATOM 13 CG PRO A 0 -7.475 -11.057 -6.341 1.00 0.00 C ATOM 14 CD PRO A 0 -7.730 -11.780 -7.653 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.604 -11.910 -8.443 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.179 -13.208 -7.534 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.485 -12.343 -5.954 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.988 -10.194 -5.056 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.604 -11.861 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -7.220 -10.013 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.631 -11.504 -5.817 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.550 -11.127 -8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.070 -12.640 -7.766 1.00 0.00 H new ATOM 22 N MET A 1 -11.167 -9.688 -5.911 1.00 0.00 N ATOM 23 CA MET A 1 -12.054 -8.570 -6.182 1.00 0.00 C ATOM 24 C MET A 1 -11.358 -7.513 -7.042 1.00 0.00 C ATOM 25 O MET A 1 -11.995 -6.859 -7.866 1.00 0.00 O ATOM 26 CB MET A 1 -12.501 -7.940 -4.861 1.00 0.00 C ATOM 27 CG MET A 1 -13.557 -8.805 -4.172 1.00 0.00 C ATOM 28 SD MET A 1 -13.895 -8.169 -2.538 1.00 0.00 S ATOM 29 CE MET A 1 -13.527 -9.617 -1.560 1.00 0.00 C ATOM 0 H MET A 1 -10.896 -9.790 -4.933 1.00 0.00 H new ATOM 0 HA MET A 1 -12.920 -8.943 -6.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.641 -7.817 -4.203 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.905 -6.945 -5.047 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.472 -8.816 -4.764 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.208 -9.835 -4.105 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.687 -9.394 -0.505 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.181 -10.435 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.488 -9.907 -1.716 1.00 0.00 H new ATOM 39 N GLU A 2 -10.058 -7.378 -6.820 1.00 0.00 N ATOM 40 CA GLU A 2 -9.268 -6.412 -7.565 1.00 0.00 C ATOM 41 C GLU A 2 -9.819 -5.000 -7.353 1.00 0.00 C ATOM 42 O GLU A 2 -10.950 -4.707 -7.737 1.00 0.00 O ATOM 43 CB GLU A 2 -9.227 -6.767 -9.052 1.00 0.00 C ATOM 44 CG GLU A 2 -8.283 -7.943 -9.309 1.00 0.00 C ATOM 45 CD GLU A 2 -8.890 -8.923 -10.316 1.00 0.00 C ATOM 46 OE1 GLU A 2 -10.136 -9.021 -10.333 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.094 -9.552 -11.046 1.00 0.00 O ATOM 0 H GLU A 2 -9.533 -7.921 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.245 -6.442 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.230 -7.019 -9.397 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.900 -5.901 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.329 -7.573 -9.686 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -8.077 -8.460 -8.372 1.00 0.00 H new ATOM 54 N PHE A 3 -8.994 -4.163 -6.742 1.00 0.00 N ATOM 55 CA PHE A 3 -9.384 -2.789 -6.474 1.00 0.00 C ATOM 56 C PHE A 3 -8.570 -1.812 -7.325 1.00 0.00 C ATOM 57 O PHE A 3 -7.343 -1.895 -7.369 1.00 0.00 O ATOM 58 CB PHE A 3 -9.096 -2.522 -4.996 1.00 0.00 C ATOM 59 CG PHE A 3 -10.049 -3.239 -4.037 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.884 -4.564 -3.778 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.060 -2.550 -3.443 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.769 -5.228 -2.888 1.00 0.00 C ATOM 63 CE2 PHE A 3 -11.945 -3.215 -2.553 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.780 -4.540 -2.294 1.00 0.00 C ATOM 0 H PHE A 3 -8.057 -4.410 -6.425 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.438 -2.648 -6.715 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.074 -2.830 -4.774 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.153 -1.449 -4.813 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.080 -5.111 -4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.190 -1.498 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.639 -6.280 -2.683 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.749 -2.669 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.452 -5.046 -1.616 1.00 0.00 H new ATOM 74 N THR A 4 -9.285 -0.910 -7.980 1.00 0.00 N ATOM 75 CA THR A 4 -8.644 0.082 -8.827 1.00 0.00 C ATOM 76 C THR A 4 -8.027 1.192 -7.975 1.00 0.00 C ATOM 77 O THR A 4 -8.467 1.436 -6.852 1.00 0.00 O ATOM 78 CB THR A 4 -9.683 0.591 -9.829 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.645 1.263 -9.020 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.473 -0.546 -10.481 1.00 0.00 C ATOM 0 H THR A 4 -10.302 -0.845 -7.942 1.00 0.00 H new ATOM 0 HA THR A 4 -7.816 -0.352 -9.388 1.00 0.00 H new ATOM 0 HB THR A 4 -9.186 1.177 -10.602 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.029 2.012 -9.522 1.00 0.00 H new ATOM 0 HG21 THR A 4 -11.196 -0.131 -11.183 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.788 -1.206 -11.014 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.998 -1.112 -9.712 1.00 0.00 H new ATOM 88 N ALA A 5 -7.017 1.837 -8.541 1.00 0.00 N ATOM 89 CA ALA A 5 -6.335 2.916 -7.847 1.00 0.00 C ATOM 90 C ALA A 5 -7.362 3.957 -7.397 1.00 0.00 C ATOM 91 O ALA A 5 -7.175 4.619 -6.377 1.00 0.00 O ATOM 92 CB ALA A 5 -5.262 3.512 -8.759 1.00 0.00 C ATOM 0 H ALA A 5 -6.655 1.633 -9.472 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.833 2.541 -6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.750 4.321 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.541 2.739 -9.026 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.729 3.901 -9.664 1.00 0.00 H new ATOM 98 N GLU A 6 -8.425 4.069 -8.179 1.00 0.00 N ATOM 99 CA GLU A 6 -9.482 5.018 -7.874 1.00 0.00 C ATOM 100 C GLU A 6 -10.283 4.548 -6.658 1.00 0.00 C ATOM 101 O GLU A 6 -10.551 5.330 -5.747 1.00 0.00 O ATOM 102 CB GLU A 6 -10.395 5.229 -9.084 1.00 0.00 C ATOM 103 CG GLU A 6 -9.739 6.154 -10.111 1.00 0.00 C ATOM 104 CD GLU A 6 -9.514 5.427 -11.438 1.00 0.00 C ATOM 105 OE1 GLU A 6 -10.518 4.925 -11.988 1.00 0.00 O ATOM 106 OE2 GLU A 6 -8.342 5.389 -11.873 1.00 0.00 O ATOM 0 H GLU A 6 -8.577 3.518 -9.024 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.024 5.978 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.620 4.268 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.344 5.656 -8.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -10.369 7.028 -10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.786 6.515 -9.724 1.00 0.00 H new ATOM 113 N GLN A 7 -10.642 3.273 -6.683 1.00 0.00 N ATOM 114 CA GLN A 7 -11.407 2.690 -5.594 1.00 0.00 C ATOM 115 C GLN A 7 -10.520 2.507 -4.361 1.00 0.00 C ATOM 116 O GLN A 7 -10.966 2.719 -3.234 1.00 0.00 O ATOM 117 CB GLN A 7 -12.038 1.362 -6.017 1.00 0.00 C ATOM 118 CG GLN A 7 -13.465 1.571 -6.528 1.00 0.00 C ATOM 119 CD GLN A 7 -13.499 1.617 -8.057 1.00 0.00 C ATOM 120 OE1 GLN A 7 -13.737 0.626 -8.728 1.00 0.00 O ATOM 121 NE2 GLN A 7 -13.248 2.819 -8.568 1.00 0.00 N ATOM 0 H GLN A 7 -10.417 2.627 -7.440 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.216 3.374 -5.337 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.433 0.900 -6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.048 0.674 -5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.105 0.764 -6.171 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -13.867 2.500 -6.124 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.056 3.607 -7.949 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.247 2.953 -9.579 1.00 0.00 H new ATOM 130 N LEU A 8 -9.280 2.116 -4.616 1.00 0.00 N ATOM 131 CA LEU A 8 -8.326 1.903 -3.541 1.00 0.00 C ATOM 132 C LEU A 8 -8.051 3.233 -2.838 1.00 0.00 C ATOM 133 O LEU A 8 -7.743 3.258 -1.647 1.00 0.00 O ATOM 134 CB LEU A 8 -7.066 1.215 -4.071 1.00 0.00 C ATOM 135 CG LEU A 8 -5.813 1.351 -3.204 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.678 0.165 -2.246 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.565 1.533 -4.069 1.00 0.00 C ATOM 0 H LEU A 8 -8.914 1.941 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.740 1.227 -2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.282 0.154 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.845 1.617 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.916 2.248 -2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.779 0.286 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.551 0.122 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.608 -0.759 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.689 1.627 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.446 0.668 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.670 2.433 -4.674 1.00 0.00 H new ATOM 149 N SER A 9 -8.171 4.307 -3.604 1.00 0.00 N ATOM 150 CA SER A 9 -7.939 5.638 -3.069 1.00 0.00 C ATOM 151 C SER A 9 -9.149 6.091 -2.249 1.00 0.00 C ATOM 152 O SER A 9 -9.184 7.219 -1.759 1.00 0.00 O ATOM 153 CB SER A 9 -7.653 6.640 -4.190 1.00 0.00 C ATOM 154 OG SER A 9 -8.766 6.793 -5.067 1.00 0.00 O ATOM 0 H SER A 9 -8.426 4.283 -4.591 1.00 0.00 H new ATOM 0 HA SER A 9 -7.063 5.598 -2.421 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.398 7.607 -3.756 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.785 6.308 -4.760 1.00 0.00 H new ATOM 0 HG SER A 9 -9.334 5.996 -5.017 1.00 0.00 H new ATOM 160 N GLN A 10 -10.111 5.188 -2.125 1.00 0.00 N ATOM 161 CA GLN A 10 -11.319 5.481 -1.372 1.00 0.00 C ATOM 162 C GLN A 10 -11.234 4.868 0.027 1.00 0.00 C ATOM 163 O GLN A 10 -12.226 4.828 0.753 1.00 0.00 O ATOM 164 CB GLN A 10 -12.561 4.983 -2.114 1.00 0.00 C ATOM 165 CG GLN A 10 -12.432 5.222 -3.620 1.00 0.00 C ATOM 166 CD GLN A 10 -13.731 4.862 -4.344 1.00 0.00 C ATOM 167 OE1 GLN A 10 -14.171 3.633 -4.089 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.296 5.648 -5.087 1.00 0.00 N flip ATOM 0 H GLN A 10 -10.078 4.254 -2.533 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.406 6.563 -1.269 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.702 3.919 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.445 5.495 -1.735 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.185 6.267 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.612 4.625 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.904 6.577 -5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.160 5.376 -5.556 1.00 0.00 H new ATOM 177 N TYR A 11 -10.039 4.406 0.365 1.00 0.00 N ATOM 178 CA TYR A 11 -9.811 3.797 1.664 1.00 0.00 C ATOM 179 C TYR A 11 -8.467 4.237 2.248 1.00 0.00 C ATOM 180 O TYR A 11 -7.700 3.412 2.741 1.00 0.00 O ATOM 181 CB TYR A 11 -9.778 2.287 1.422 1.00 0.00 C ATOM 182 CG TYR A 11 -10.938 1.767 0.571 1.00 0.00 C ATOM 183 CD1 TYR A 11 -12.211 1.706 1.102 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.713 1.361 -0.729 1.00 0.00 C ATOM 185 CE1 TYR A 11 -13.303 1.217 0.300 1.00 0.00 C ATOM 186 CE2 TYR A 11 -11.805 0.872 -1.530 1.00 0.00 C ATOM 187 CZ TYR A 11 -13.046 0.824 -0.976 1.00 0.00 C ATOM 188 OH TYR A 11 -14.077 0.363 -1.733 1.00 0.00 O ATOM 0 H TYR A 11 -9.218 4.441 -0.239 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.590 4.091 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.838 2.028 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.789 1.775 2.384 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.388 2.025 2.119 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.718 1.410 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -14.303 1.164 0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.642 0.551 -2.548 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.746 0.119 -2.623 1.00 0.00 H new ATOM 198 N ASN A 12 -8.223 5.537 2.174 1.00 0.00 N ATOM 199 CA ASN A 12 -6.985 6.097 2.689 1.00 0.00 C ATOM 200 C ASN A 12 -7.192 6.529 4.142 1.00 0.00 C ATOM 201 O ASN A 12 -6.343 7.207 4.719 1.00 0.00 O ATOM 202 CB ASN A 12 -6.562 7.329 1.886 1.00 0.00 C ATOM 203 CG ASN A 12 -7.430 8.538 2.238 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.373 8.882 1.544 1.00 0.00 O ATOM 205 ND2 ASN A 12 -7.060 9.163 3.352 1.00 0.00 N ATOM 0 H ASN A 12 -8.862 6.219 1.765 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.211 5.333 2.612 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.515 7.557 2.088 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.642 7.118 0.820 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -7.576 9.983 3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.261 8.823 3.886 1.00 0.00 H new ATOM 212 N GLY A 13 -8.324 6.117 4.693 1.00 0.00 N ATOM 213 CA GLY A 13 -8.653 6.452 6.068 1.00 0.00 C ATOM 214 C GLY A 13 -9.145 7.897 6.178 1.00 0.00 C ATOM 215 O GLY A 13 -8.344 8.831 6.181 1.00 0.00 O ATOM 0 H GLY A 13 -9.025 5.554 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.422 5.773 6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.775 6.314 6.700 1.00 0.00 H new ATOM 219 N THR A 14 -10.460 8.036 6.265 1.00 0.00 N ATOM 220 CA THR A 14 -11.068 9.351 6.375 1.00 0.00 C ATOM 221 C THR A 14 -12.590 9.228 6.463 1.00 0.00 C ATOM 222 O THR A 14 -13.236 9.988 7.184 1.00 0.00 O ATOM 223 CB THR A 14 -10.594 10.191 5.187 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.368 11.483 5.744 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.699 10.419 4.153 1.00 0.00 C ATOM 0 H THR A 14 -11.121 7.259 6.262 1.00 0.00 H new ATOM 0 HA THR A 14 -10.760 9.855 7.291 1.00 0.00 H new ATOM 0 HB THR A 14 -9.746 9.699 4.710 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.056 12.092 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.310 11.020 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.042 9.458 3.769 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.533 10.941 4.621 1.00 0.00 H new ATOM 293 N PRO A 19 -13.341 1.190 4.563 1.00 0.00 N ATOM 294 CA PRO A 19 -12.195 0.621 5.251 1.00 0.00 C ATOM 295 C PRO A 19 -10.893 1.273 4.780 1.00 0.00 C ATOM 296 O PRO A 19 -10.917 2.321 4.137 1.00 0.00 O ATOM 297 CB PRO A 19 -12.256 -0.868 4.951 1.00 0.00 C ATOM 298 CG PRO A 19 -13.156 -1.012 3.735 1.00 0.00 C ATOM 299 CD PRO A 19 -13.890 0.305 3.540 1.00 0.00 C ATOM 0 HA PRO A 19 -12.219 0.799 6.326 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.262 -1.267 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.656 -1.421 5.801 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.567 -1.255 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.866 -1.827 3.879 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.725 0.706 2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.966 0.180 3.660 1.00 0.00 H new ATOM 307 N ILE A 20 -9.788 0.625 5.119 1.00 0.00 N ATOM 308 CA ILE A 20 -8.479 1.129 4.738 1.00 0.00 C ATOM 309 C ILE A 20 -7.734 0.053 3.945 1.00 0.00 C ATOM 310 O ILE A 20 -7.452 -1.024 4.466 1.00 0.00 O ATOM 311 CB ILE A 20 -7.717 1.623 5.969 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.572 2.588 6.793 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.376 2.243 5.571 1.00 0.00 C ATOM 314 CD1 ILE A 20 -8.970 1.962 8.131 1.00 0.00 C ATOM 0 H ILE A 20 -9.772 -0.244 5.653 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.580 1.995 4.084 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.499 0.764 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.018 3.510 6.969 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.467 2.856 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.854 2.586 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.768 1.497 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.549 3.088 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.577 2.669 8.697 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.544 1.053 7.951 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.073 1.718 8.700 1.00 0.00 H new ATOM 326 N TYR A 21 -7.437 0.384 2.696 1.00 0.00 N ATOM 327 CA TYR A 21 -6.731 -0.541 1.826 1.00 0.00 C ATOM 328 C TYR A 21 -5.487 0.116 1.223 1.00 0.00 C ATOM 329 O TYR A 21 -5.523 1.282 0.834 1.00 0.00 O ATOM 330 CB TYR A 21 -7.706 -0.888 0.699 1.00 0.00 C ATOM 331 CG TYR A 21 -8.955 -1.638 1.167 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.922 -2.373 2.334 1.00 0.00 C ATOM 333 CD2 TYR A 21 -10.115 -1.578 0.422 1.00 0.00 C ATOM 334 CE1 TYR A 21 -10.098 -3.079 2.775 1.00 0.00 C ATOM 335 CE2 TYR A 21 -11.291 -2.283 0.862 1.00 0.00 C ATOM 336 CZ TYR A 21 -11.224 -2.999 2.017 1.00 0.00 C ATOM 337 OH TYR A 21 -12.335 -3.665 2.432 1.00 0.00 O ATOM 0 H TYR A 21 -7.672 1.279 2.267 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.406 -1.420 2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.012 0.032 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.187 -1.495 -0.043 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.014 -2.419 2.917 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.141 -1.002 -0.491 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.085 -3.658 3.686 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.205 -2.244 0.288 1.00 0.00 H new ATOM 0 HH TYR A 21 -13.063 -3.517 1.793 1.00 0.00 H new ATOM 347 N VAL A 22 -4.416 -0.662 1.164 1.00 0.00 N ATOM 348 CA VAL A 22 -3.164 -0.171 0.615 1.00 0.00 C ATOM 349 C VAL A 22 -2.792 -0.999 -0.617 1.00 0.00 C ATOM 350 O VAL A 22 -3.422 -2.018 -0.897 1.00 0.00 O ATOM 351 CB VAL A 22 -2.079 -0.184 1.694 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.752 0.343 1.143 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.518 0.614 2.923 1.00 0.00 C ATOM 0 H VAL A 22 -4.390 -1.629 1.487 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.269 0.864 0.291 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.927 -1.218 2.003 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.002 0.323 1.930 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.427 -0.285 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.884 1.367 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.729 0.589 3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.712 1.647 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.426 0.176 3.336 1.00 0.00 H new ATOM 363 N ALA A 23 -1.771 -0.531 -1.319 1.00 0.00 N ATOM 364 CA ALA A 23 -1.308 -1.215 -2.514 1.00 0.00 C ATOM 365 C ALA A 23 0.200 -1.450 -2.410 1.00 0.00 C ATOM 366 O ALA A 23 0.940 -0.571 -1.971 1.00 0.00 O ATOM 367 CB ALA A 23 -1.687 -0.397 -3.750 1.00 0.00 C ATOM 0 H ALA A 23 -1.251 0.314 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.788 -2.189 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.340 -0.910 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.770 -0.284 -3.793 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.222 0.587 -3.692 1.00 0.00 H new ATOM 373 N ILE A 24 0.611 -2.641 -2.821 1.00 0.00 N ATOM 374 CA ILE A 24 2.018 -3.002 -2.780 1.00 0.00 C ATOM 375 C ILE A 24 2.310 -4.024 -3.880 1.00 0.00 C ATOM 376 O ILE A 24 1.800 -5.143 -3.845 1.00 0.00 O ATOM 377 CB ILE A 24 2.408 -3.479 -1.379 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.531 -2.299 -0.413 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.685 -4.320 -1.422 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.096 -2.751 0.935 1.00 0.00 C ATOM 0 H ILE A 24 -0.006 -3.368 -3.184 1.00 0.00 H new ATOM 0 HA ILE A 24 2.641 -2.130 -2.980 1.00 0.00 H new ATOM 0 HB ILE A 24 1.612 -4.122 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.179 -1.536 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.553 -1.841 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.940 -4.646 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.525 -5.192 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.501 -3.722 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.173 -1.893 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.433 -3.496 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.084 -3.186 0.788 1.00 0.00 H new ATOM 392 N LYS A 25 3.130 -3.603 -4.832 1.00 0.00 N ATOM 393 CA LYS A 25 3.496 -4.467 -5.941 1.00 0.00 C ATOM 394 C LYS A 25 2.277 -4.680 -6.840 1.00 0.00 C ATOM 395 O LYS A 25 2.303 -5.520 -7.738 1.00 0.00 O ATOM 396 CB LYS A 25 4.113 -5.769 -5.425 1.00 0.00 C ATOM 397 CG LYS A 25 5.520 -5.528 -4.874 1.00 0.00 C ATOM 398 CD LYS A 25 6.525 -5.316 -6.008 1.00 0.00 C ATOM 399 CE LYS A 25 6.610 -6.555 -6.903 1.00 0.00 C ATOM 400 NZ LYS A 25 5.997 -6.284 -8.223 1.00 0.00 N ATOM 0 H LYS A 25 3.551 -2.674 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 25 4.266 -3.996 -6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.480 -6.191 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.155 -6.501 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.514 -4.655 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.827 -6.379 -4.266 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.230 -4.452 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.508 -5.095 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.652 -6.847 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.102 -7.392 -6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.878 -7.178 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.068 -5.835 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.613 -5.648 -8.768 1.00 0.00 H new ATOM 414 N GLY A 26 1.238 -3.903 -6.568 1.00 0.00 N ATOM 415 CA GLY A 26 0.012 -3.996 -7.342 1.00 0.00 C ATOM 416 C GLY A 26 -1.018 -4.877 -6.633 1.00 0.00 C ATOM 417 O GLY A 26 -2.008 -5.289 -7.237 1.00 0.00 O ATOM 0 H GLY A 26 1.220 -3.207 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.401 -2.999 -7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.230 -4.407 -8.328 1.00 0.00 H new ATOM 421 N ARG A 27 -0.750 -5.141 -5.363 1.00 0.00 N ATOM 422 CA ARG A 27 -1.642 -5.966 -4.566 1.00 0.00 C ATOM 423 C ARG A 27 -2.283 -5.134 -3.453 1.00 0.00 C ATOM 424 O ARG A 27 -1.582 -4.510 -2.658 1.00 0.00 O ATOM 425 CB ARG A 27 -0.891 -7.145 -3.943 1.00 0.00 C ATOM 426 CG ARG A 27 -1.771 -8.397 -3.906 1.00 0.00 C ATOM 427 CD ARG A 27 -1.118 -9.500 -3.071 1.00 0.00 C ATOM 428 NE ARG A 27 -0.678 -10.607 -3.949 1.00 0.00 N ATOM 429 CZ ARG A 27 -1.492 -11.281 -4.773 1.00 0.00 C ATOM 430 NH1 ARG A 27 -2.793 -10.966 -4.835 1.00 0.00 N ATOM 431 NH2 ARG A 27 -1.006 -12.271 -5.534 1.00 0.00 N ATOM 0 H ARG A 27 0.072 -4.798 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.417 -6.352 -5.228 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.014 -7.349 -4.516 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.576 -6.887 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.746 -8.148 -3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.941 -8.756 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.265 -9.097 -2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.825 -9.872 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 27 0.306 -10.874 -3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.164 -10.213 -4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.413 -11.479 -5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.016 -12.512 -5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.626 -12.784 -6.161 1.00 0.00 H new ATOM 445 N VAL A 28 -3.607 -5.151 -3.434 1.00 0.00 N ATOM 446 CA VAL A 28 -4.351 -4.405 -2.432 1.00 0.00 C ATOM 447 C VAL A 28 -4.273 -5.141 -1.093 1.00 0.00 C ATOM 448 O VAL A 28 -4.698 -6.291 -0.988 1.00 0.00 O ATOM 449 CB VAL A 28 -5.787 -4.178 -2.908 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.639 -3.554 -1.801 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.816 -3.318 -4.173 1.00 0.00 C ATOM 0 H VAL A 28 -4.185 -5.669 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.912 -3.418 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.216 -5.149 -3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.655 -3.403 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.658 -4.219 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.212 -2.594 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.849 -3.172 -4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.360 -2.350 -3.965 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.260 -3.818 -4.966 1.00 0.00 H new ATOM 461 N PHE A 29 -3.729 -4.448 -0.104 1.00 0.00 N ATOM 462 CA PHE A 29 -3.591 -5.022 1.224 1.00 0.00 C ATOM 463 C PHE A 29 -4.394 -4.223 2.253 1.00 0.00 C ATOM 464 O PHE A 29 -4.511 -3.004 2.143 1.00 0.00 O ATOM 465 CB PHE A 29 -2.107 -4.954 1.588 1.00 0.00 C ATOM 466 CG PHE A 29 -1.228 -5.932 0.805 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.420 -7.272 0.934 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.255 -5.460 -0.020 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.605 -8.179 0.207 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.560 -6.367 -0.747 1.00 0.00 C ATOM 471 CZ PHE A 29 0.368 -7.708 -0.618 1.00 0.00 C ATOM 0 H PHE A 29 -3.379 -3.494 -0.195 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.964 -6.046 1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.747 -3.940 1.415 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.995 -5.154 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.192 -7.646 1.589 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.103 -4.396 -0.122 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.758 -9.243 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.332 -5.993 -1.402 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.988 -8.398 -1.171 1.00 0.00 H new ATOM 481 N ASP A 30 -4.926 -4.943 3.229 1.00 0.00 N ATOM 482 CA ASP A 30 -5.715 -4.317 4.277 1.00 0.00 C ATOM 483 C ASP A 30 -4.810 -4.001 5.470 1.00 0.00 C ATOM 484 O ASP A 30 -3.973 -4.817 5.852 1.00 0.00 O ATOM 485 CB ASP A 30 -6.827 -5.248 4.761 1.00 0.00 C ATOM 486 CG ASP A 30 -8.163 -5.093 4.031 1.00 0.00 C ATOM 487 OD1 ASP A 30 -8.122 -4.681 2.852 1.00 0.00 O ATOM 488 OD2 ASP A 30 -9.196 -5.391 4.670 1.00 0.00 O ATOM 0 H ASP A 30 -4.826 -5.954 3.317 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.158 -3.409 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.489 -6.279 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.989 -5.074 5.825 1.00 0.00 H new ATOM 493 N VAL A 31 -5.010 -2.814 6.025 1.00 0.00 N ATOM 494 CA VAL A 31 -4.223 -2.380 7.167 1.00 0.00 C ATOM 495 C VAL A 31 -5.151 -1.771 8.219 1.00 0.00 C ATOM 496 O VAL A 31 -4.688 -1.196 9.203 1.00 0.00 O ATOM 497 CB VAL A 31 -3.124 -1.419 6.710 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.247 -2.060 5.632 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.721 -0.099 6.218 1.00 0.00 C ATOM 0 H VAL A 31 -5.705 -2.140 5.705 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.721 -3.230 7.630 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.491 -1.201 7.570 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.474 -1.355 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.780 -2.960 6.031 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.862 -2.322 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.919 0.567 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.388 -0.292 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.282 0.370 7.026 1.00 0.00 H new ATOM 509 N THR A 32 -6.445 -1.917 7.975 1.00 0.00 N ATOM 510 CA THR A 32 -7.443 -1.388 8.890 1.00 0.00 C ATOM 511 C THR A 32 -7.161 -1.859 10.318 1.00 0.00 C ATOM 512 O THR A 32 -7.530 -1.189 11.281 1.00 0.00 O ATOM 513 CB THR A 32 -8.823 -1.802 8.374 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.557 -2.110 9.556 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.788 -3.123 7.602 1.00 0.00 C ATOM 0 H THR A 32 -6.826 -2.394 7.157 1.00 0.00 H new ATOM 0 HA THR A 32 -7.407 -0.299 8.928 1.00 0.00 H new ATOM 0 HB THR A 32 -9.221 -1.017 7.731 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.465 -2.387 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.792 -3.370 7.258 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.124 -3.025 6.743 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.422 -3.916 8.254 1.00 0.00 H new ATOM 523 N THR A 33 -6.509 -3.009 10.409 1.00 0.00 N ATOM 524 CA THR A 33 -6.174 -3.578 11.704 1.00 0.00 C ATOM 525 C THR A 33 -5.354 -2.583 12.527 1.00 0.00 C ATOM 526 O THR A 33 -5.114 -2.802 13.713 1.00 0.00 O ATOM 527 CB THR A 33 -5.454 -4.906 11.464 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.211 -4.527 10.879 1.00 0.00 O ATOM 529 CG2 THR A 33 -6.131 -5.753 10.384 1.00 0.00 C ATOM 0 H THR A 33 -6.204 -3.562 9.608 1.00 0.00 H new ATOM 0 HA THR A 33 -7.070 -3.778 12.292 1.00 0.00 H new ATOM 0 HB THR A 33 -5.414 -5.470 12.396 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.679 -5.329 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.580 -6.684 10.253 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.155 -5.976 10.685 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.141 -5.203 9.443 1.00 0.00 H new ATOM 537 N GLY A 34 -4.946 -1.510 11.865 1.00 0.00 N ATOM 538 CA GLY A 34 -4.158 -0.480 12.520 1.00 0.00 C ATOM 539 C GLY A 34 -4.387 0.884 11.867 1.00 0.00 C ATOM 540 O GLY A 34 -3.435 1.619 11.605 1.00 0.00 O ATOM 0 H GLY A 34 -5.147 -1.332 10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.423 -0.431 13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.100 -0.739 12.469 1.00 0.00 H new ATOM 544 N LYS A 35 -5.654 1.183 11.623 1.00 0.00 N ATOM 545 CA LYS A 35 -6.020 2.446 11.005 1.00 0.00 C ATOM 546 C LYS A 35 -5.341 3.592 11.759 1.00 0.00 C ATOM 547 O LYS A 35 -5.146 4.674 11.206 1.00 0.00 O ATOM 548 CB LYS A 35 -7.542 2.581 10.922 1.00 0.00 C ATOM 549 CG LYS A 35 -8.073 3.494 12.029 1.00 0.00 C ATOM 550 CD LYS A 35 -9.602 3.527 12.026 1.00 0.00 C ATOM 551 CE LYS A 35 -10.123 4.811 11.377 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.527 4.640 10.943 1.00 0.00 N ATOM 0 H LYS A 35 -6.441 0.572 11.842 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.664 2.485 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.822 2.983 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.003 1.597 11.005 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.715 3.144 12.997 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.684 4.503 11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.987 2.661 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.973 3.456 13.049 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.053 5.637 12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.501 5.071 10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.865 5.521 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.585 3.865 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.120 4.414 11.767 1.00 0.00 H new ATOM 566 N SER A 36 -5.000 3.317 13.009 1.00 0.00 N ATOM 567 CA SER A 36 -4.348 4.311 13.843 1.00 0.00 C ATOM 568 C SER A 36 -3.049 4.778 13.183 1.00 0.00 C ATOM 569 O SER A 36 -2.521 5.835 13.523 1.00 0.00 O ATOM 570 CB SER A 36 -4.063 3.756 15.241 1.00 0.00 C ATOM 571 OG SER A 36 -4.178 4.759 16.246 1.00 0.00 O ATOM 0 H SER A 36 -5.163 2.419 13.465 1.00 0.00 H new ATOM 0 HA SER A 36 -5.021 5.162 13.949 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.757 2.944 15.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.059 3.332 15.265 1.00 0.00 H new ATOM 0 HG SER A 36 -3.990 4.366 17.124 1.00 0.00 H new ATOM 577 N PHE A 37 -2.572 3.966 12.250 1.00 0.00 N ATOM 578 CA PHE A 37 -1.345 4.283 11.539 1.00 0.00 C ATOM 579 C PHE A 37 -1.640 4.700 10.097 1.00 0.00 C ATOM 580 O PHE A 37 -1.097 5.691 9.611 1.00 0.00 O ATOM 581 CB PHE A 37 -0.495 3.011 11.526 1.00 0.00 C ATOM 582 CG PHE A 37 -0.138 2.486 12.918 1.00 0.00 C ATOM 583 CD1 PHE A 37 -1.106 1.961 13.716 1.00 0.00 C ATOM 584 CD2 PHE A 37 1.148 2.545 13.358 1.00 0.00 C ATOM 585 CE1 PHE A 37 -0.775 1.475 15.008 1.00 0.00 C ATOM 586 CE2 PHE A 37 1.479 2.059 14.650 1.00 0.00 C ATOM 587 CZ PHE A 37 0.511 1.534 15.448 1.00 0.00 C ATOM 0 H PHE A 37 -3.013 3.090 11.970 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.832 5.110 12.030 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.032 2.233 10.982 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.425 3.207 10.976 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.127 1.914 13.367 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.917 2.962 12.724 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.544 1.058 15.642 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.500 2.106 14.999 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.763 1.164 16.431 1.00 0.00 H new ATOM 597 N TYR A 38 -2.498 3.923 9.453 1.00 0.00 N ATOM 598 CA TYR A 38 -2.871 4.199 8.076 1.00 0.00 C ATOM 599 C TYR A 38 -4.088 5.125 8.013 1.00 0.00 C ATOM 600 O TYR A 38 -4.161 6.003 7.155 1.00 0.00 O ATOM 601 CB TYR A 38 -3.240 2.849 7.460 1.00 0.00 C ATOM 602 CG TYR A 38 -2.166 2.273 6.535 1.00 0.00 C ATOM 603 CD1 TYR A 38 -1.897 2.882 5.326 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.466 1.144 6.909 1.00 0.00 C ATOM 605 CE1 TYR A 38 -0.886 2.340 4.455 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.455 0.602 6.039 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.215 1.227 4.855 1.00 0.00 C ATOM 608 OH TYR A 38 0.740 0.715 4.032 1.00 0.00 O ATOM 0 H TYR A 38 -2.946 3.102 9.860 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.053 4.690 7.548 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.435 2.137 8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.168 2.959 6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.445 3.765 5.033 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.677 0.667 7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.666 2.807 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.100 -0.281 6.320 1.00 0.00 H new ATOM 0 HH TYR A 38 1.137 -0.079 4.446 1.00 0.00 H new ATOM 618 N GLY A 39 -5.013 4.896 8.934 1.00 0.00 N ATOM 619 CA GLY A 39 -6.223 5.698 8.993 1.00 0.00 C ATOM 620 C GLY A 39 -5.901 7.188 8.862 1.00 0.00 C ATOM 621 O GLY A 39 -4.734 7.576 8.860 1.00 0.00 O ATOM 0 H GLY A 39 -4.949 4.167 9.645 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.902 5.398 8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.739 5.515 9.936 1.00 0.00 H new ATOM 625 N SER A 40 -6.956 7.982 8.755 1.00 0.00 N ATOM 626 CA SER A 40 -6.800 9.421 8.624 1.00 0.00 C ATOM 627 C SER A 40 -5.640 9.903 9.498 1.00 0.00 C ATOM 628 O SER A 40 -5.530 9.514 10.659 1.00 0.00 O ATOM 629 CB SER A 40 -8.089 10.152 9.002 1.00 0.00 C ATOM 630 OG SER A 40 -8.101 11.495 8.527 1.00 0.00 O ATOM 0 H SER A 40 -7.923 7.656 8.756 1.00 0.00 H new ATOM 0 HA SER A 40 -6.579 9.647 7.581 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.944 9.615 8.591 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.202 10.150 10.086 1.00 0.00 H new ATOM 0 HG SER A 40 -8.941 11.927 8.787 1.00 0.00 H new ATOM 636 N GLY A 41 -4.804 10.743 8.905 1.00 0.00 N ATOM 637 CA GLY A 41 -3.657 11.283 9.615 1.00 0.00 C ATOM 638 C GLY A 41 -3.034 10.228 10.532 1.00 0.00 C ATOM 639 O GLY A 41 -3.301 10.208 11.732 1.00 0.00 O ATOM 0 H GLY A 41 -4.898 11.063 7.941 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.913 11.633 8.899 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.963 12.147 10.204 1.00 0.00 H new ATOM 643 N GLY A 42 -2.215 9.377 9.931 1.00 0.00 N ATOM 644 CA GLY A 42 -1.552 8.323 10.679 1.00 0.00 C ATOM 645 C GLY A 42 -0.167 8.028 10.099 1.00 0.00 C ATOM 646 O GLY A 42 0.241 8.640 9.114 1.00 0.00 O ATOM 0 H GLY A 42 -1.996 9.396 8.935 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.457 8.618 11.724 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.160 7.419 10.657 1.00 0.00 H new ATOM 650 N ASP A 43 0.518 7.089 10.736 1.00 0.00 N ATOM 651 CA ASP A 43 1.849 6.705 10.296 1.00 0.00 C ATOM 652 C ASP A 43 1.883 6.661 8.767 1.00 0.00 C ATOM 653 O ASP A 43 2.756 7.264 8.144 1.00 0.00 O ATOM 654 CB ASP A 43 2.222 5.316 10.818 1.00 0.00 C ATOM 655 CG ASP A 43 3.430 5.281 11.756 1.00 0.00 C ATOM 656 OD1 ASP A 43 3.483 6.158 12.646 1.00 0.00 O ATOM 657 OD2 ASP A 43 4.273 4.379 11.563 1.00 0.00 O ATOM 0 H ASP A 43 0.176 6.583 11.553 1.00 0.00 H new ATOM 0 HA ASP A 43 2.557 7.438 10.683 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.362 4.898 11.342 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.423 4.666 9.966 1.00 0.00 H new ATOM 662 N TYR A 44 0.922 5.941 8.206 1.00 0.00 N ATOM 663 CA TYR A 44 0.831 5.810 6.762 1.00 0.00 C ATOM 664 C TYR A 44 -0.317 6.655 6.206 1.00 0.00 C ATOM 665 O TYR A 44 -1.241 6.125 5.592 1.00 0.00 O ATOM 666 CB TYR A 44 0.540 4.333 6.490 1.00 0.00 C ATOM 667 CG TYR A 44 1.161 3.378 7.511 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.533 3.279 7.618 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.349 2.614 8.325 1.00 0.00 C ATOM 670 CE1 TYR A 44 3.118 2.380 8.579 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.934 1.715 9.286 1.00 0.00 C ATOM 672 CZ TYR A 44 2.289 1.643 9.365 1.00 0.00 C ATOM 673 OH TYR A 44 2.842 0.794 10.273 1.00 0.00 O ATOM 0 H TYR A 44 0.200 5.442 8.726 1.00 0.00 H new ATOM 0 HA TYR A 44 1.752 6.149 6.287 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.539 4.182 6.477 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.910 4.077 5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.169 3.876 6.981 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.725 2.690 8.241 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.190 2.293 8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.310 1.112 9.929 1.00 0.00 H new ATOM 0 HH TYR A 44 2.131 0.333 10.766 1.00 0.00 H new ATOM 683 N SER A 45 -0.220 7.955 6.442 1.00 0.00 N ATOM 684 CA SER A 45 -1.238 8.879 5.972 1.00 0.00 C ATOM 685 C SER A 45 -1.109 9.076 4.460 1.00 0.00 C ATOM 686 O SER A 45 -2.107 9.272 3.769 1.00 0.00 O ATOM 687 CB SER A 45 -1.137 10.224 6.694 1.00 0.00 C ATOM 688 OG SER A 45 -2.405 10.864 6.811 1.00 0.00 O ATOM 0 H SER A 45 0.548 8.390 6.953 1.00 0.00 H new ATOM 0 HA SER A 45 -2.216 8.452 6.193 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.715 10.071 7.687 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.451 10.875 6.153 1.00 0.00 H new ATOM 0 HG SER A 45 -2.282 11.836 6.816 1.00 0.00 H new ATOM 694 N MET A 46 0.129 9.019 3.992 1.00 0.00 N ATOM 695 CA MET A 46 0.402 9.189 2.575 1.00 0.00 C ATOM 696 C MET A 46 0.189 7.878 1.815 1.00 0.00 C ATOM 697 O MET A 46 -0.185 7.890 0.643 1.00 0.00 O ATOM 698 CB MET A 46 1.845 9.661 2.386 1.00 0.00 C ATOM 699 CG MET A 46 2.812 8.814 3.216 1.00 0.00 C ATOM 700 SD MET A 46 3.226 9.667 4.728 1.00 0.00 S ATOM 701 CE MET A 46 3.506 11.310 4.091 1.00 0.00 C ATOM 0 H MET A 46 0.954 8.857 4.569 1.00 0.00 H new ATOM 0 HA MET A 46 -0.288 9.934 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.116 9.601 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.930 10.708 2.678 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.359 7.849 3.445 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.717 8.613 2.643 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.257 11.813 4.700 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.857 11.246 3.061 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.575 11.876 4.122 1.00 0.00 H new ATOM 711 N PHE A 47 0.437 6.779 2.512 1.00 0.00 N ATOM 712 CA PHE A 47 0.278 5.463 1.918 1.00 0.00 C ATOM 713 C PHE A 47 -1.201 5.087 1.808 1.00 0.00 C ATOM 714 O PHE A 47 -1.604 4.407 0.865 1.00 0.00 O ATOM 715 CB PHE A 47 0.978 4.466 2.843 1.00 0.00 C ATOM 716 CG PHE A 47 2.424 4.837 3.177 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.058 5.811 2.469 1.00 0.00 C ATOM 718 CD2 PHE A 47 3.077 4.193 4.181 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.400 6.155 2.779 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.420 4.538 4.491 1.00 0.00 C ATOM 721 CZ PHE A 47 5.053 5.511 3.783 1.00 0.00 C ATOM 0 H PHE A 47 0.747 6.773 3.484 1.00 0.00 H new ATOM 0 HA PHE A 47 0.704 5.454 0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.411 4.386 3.770 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.965 3.481 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.540 6.322 1.671 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.575 3.419 4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.903 6.928 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.938 4.027 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.074 5.772 4.018 1.00 0.00 H new ATOM 731 N ALA A 48 -1.970 5.546 2.785 1.00 0.00 N ATOM 732 CA ALA A 48 -3.395 5.266 2.809 1.00 0.00 C ATOM 733 C ALA A 48 -4.002 5.608 1.447 1.00 0.00 C ATOM 734 O ALA A 48 -3.836 6.722 0.952 1.00 0.00 O ATOM 735 CB ALA A 48 -4.049 6.046 3.951 1.00 0.00 C ATOM 0 H ALA A 48 -1.633 6.110 3.565 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.574 4.207 2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.118 5.836 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.604 5.745 4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.891 7.114 3.799 1.00 0.00 H new ATOM 741 N GLY A 49 -4.692 4.630 0.880 1.00 0.00 N ATOM 742 CA GLY A 49 -5.324 4.814 -0.416 1.00 0.00 C ATOM 743 C GLY A 49 -4.282 5.100 -1.499 1.00 0.00 C ATOM 744 O GLY A 49 -4.553 5.836 -2.447 1.00 0.00 O ATOM 0 H GLY A 49 -4.828 3.708 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.890 3.920 -0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.035 5.638 -0.364 1.00 0.00 H new ATOM 748 N LYS A 50 -3.112 4.504 -1.321 1.00 0.00 N ATOM 749 CA LYS A 50 -2.028 4.686 -2.271 1.00 0.00 C ATOM 750 C LYS A 50 -1.035 3.530 -2.134 1.00 0.00 C ATOM 751 O LYS A 50 -0.922 2.929 -1.066 1.00 0.00 O ATOM 752 CB LYS A 50 -1.391 6.067 -2.100 1.00 0.00 C ATOM 753 CG LYS A 50 -2.328 7.169 -2.600 1.00 0.00 C ATOM 754 CD LYS A 50 -1.544 8.429 -2.970 1.00 0.00 C ATOM 755 CE LYS A 50 -1.888 9.585 -2.030 1.00 0.00 C ATOM 756 NZ LYS A 50 -2.935 10.445 -2.626 1.00 0.00 N ATOM 0 H LYS A 50 -2.891 3.895 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.409 4.660 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.155 6.235 -1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.450 6.108 -2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.883 6.813 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.061 7.406 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.475 8.223 -2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.769 8.713 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.233 9.193 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.995 10.176 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.156 11.225 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.593 10.834 -3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.792 9.881 -2.795 1.00 0.00 H new ATOM 770 N ASP A 51 -0.342 3.254 -3.228 1.00 0.00 N ATOM 771 CA ASP A 51 0.637 2.180 -3.243 1.00 0.00 C ATOM 772 C ASP A 51 1.992 2.726 -2.789 1.00 0.00 C ATOM 773 O ASP A 51 2.833 3.077 -3.615 1.00 0.00 O ATOM 774 CB ASP A 51 0.806 1.608 -4.652 1.00 0.00 C ATOM 775 CG ASP A 51 1.796 0.447 -4.764 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.652 0.342 -3.859 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.674 -0.310 -5.751 1.00 0.00 O ATOM 0 H ASP A 51 -0.439 3.755 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 51 0.286 1.394 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.167 1.272 -5.011 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.131 2.409 -5.316 1.00 0.00 H new ATOM 782 N ALA A 52 2.162 2.780 -1.476 1.00 0.00 N ATOM 783 CA ALA A 52 3.401 3.277 -0.902 1.00 0.00 C ATOM 784 C ALA A 52 4.470 2.186 -0.984 1.00 0.00 C ATOM 785 O ALA A 52 5.076 1.827 0.025 1.00 0.00 O ATOM 786 CB ALA A 52 3.149 3.739 0.535 1.00 0.00 C ATOM 0 H ALA A 52 1.463 2.488 -0.793 1.00 0.00 H new ATOM 0 HA ALA A 52 3.765 4.138 -1.463 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.078 4.112 0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.404 4.534 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.785 2.900 1.128 1.00 0.00 H new ATOM 792 N SER A 53 4.670 1.688 -2.196 1.00 0.00 N ATOM 793 CA SER A 53 5.656 0.645 -2.424 1.00 0.00 C ATOM 794 C SER A 53 7.065 1.237 -2.373 1.00 0.00 C ATOM 795 O SER A 53 7.941 0.708 -1.691 1.00 0.00 O ATOM 796 CB SER A 53 5.420 -0.052 -3.765 1.00 0.00 C ATOM 797 OG SER A 53 4.510 -1.142 -3.648 1.00 0.00 O ATOM 0 H SER A 53 4.166 1.988 -3.030 1.00 0.00 H new ATOM 0 HA SER A 53 5.554 -0.101 -1.636 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.032 0.669 -4.485 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.370 -0.414 -4.158 1.00 0.00 H new ATOM 0 HG SER A 53 3.634 -0.875 -3.996 1.00 0.00 H new ATOM 803 N ARG A 54 7.241 2.328 -3.105 1.00 0.00 N ATOM 804 CA ARG A 54 8.530 2.998 -3.153 1.00 0.00 C ATOM 805 C ARG A 54 8.888 3.558 -1.775 1.00 0.00 C ATOM 806 O ARG A 54 10.018 3.407 -1.314 1.00 0.00 O ATOM 807 CB ARG A 54 8.521 4.138 -4.173 1.00 0.00 C ATOM 808 CG ARG A 54 7.624 3.799 -5.366 1.00 0.00 C ATOM 809 CD ARG A 54 8.297 4.188 -6.684 1.00 0.00 C ATOM 810 NE ARG A 54 7.960 5.586 -7.031 1.00 0.00 N ATOM 811 CZ ARG A 54 8.491 6.252 -8.066 1.00 0.00 C ATOM 812 NH1 ARG A 54 9.388 5.651 -8.860 1.00 0.00 N ATOM 813 NH2 ARG A 54 8.127 7.519 -8.305 1.00 0.00 N ATOM 0 H ARG A 54 6.512 2.765 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 54 9.275 2.262 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.169 5.054 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.537 4.329 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.402 2.732 -5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.672 4.322 -5.271 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.378 4.077 -6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.971 3.518 -7.480 1.00 0.00 H new ATOM 0 HE ARG A 54 7.281 6.074 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.666 4.687 -8.677 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.792 6.158 -9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.446 7.977 -7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.531 8.026 -9.093 1.00 0.00 H new ATOM 827 N ALA A 55 7.904 4.193 -1.156 1.00 0.00 N ATOM 828 CA ALA A 55 8.101 4.777 0.160 1.00 0.00 C ATOM 829 C ALA A 55 8.502 3.677 1.146 1.00 0.00 C ATOM 830 O ALA A 55 9.253 3.927 2.088 1.00 0.00 O ATOM 831 CB ALA A 55 6.828 5.509 0.590 1.00 0.00 C ATOM 0 H ALA A 55 6.968 4.316 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 55 8.907 5.510 0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.976 5.947 1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.602 6.298 -0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.998 4.804 0.627 1.00 0.00 H new ATOM 837 N LEU A 56 7.984 2.484 0.895 1.00 0.00 N ATOM 838 CA LEU A 56 8.279 1.346 1.749 1.00 0.00 C ATOM 839 C LEU A 56 9.731 0.914 1.532 1.00 0.00 C ATOM 840 O LEU A 56 10.462 0.679 2.493 1.00 0.00 O ATOM 841 CB LEU A 56 7.264 0.225 1.518 1.00 0.00 C ATOM 842 CG LEU A 56 6.023 0.249 2.413 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.048 -0.865 2.027 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.412 0.184 3.891 1.00 0.00 C ATOM 0 H LEU A 56 7.362 2.281 0.113 1.00 0.00 H new ATOM 0 HA LEU A 56 8.181 1.622 2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.939 0.265 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.770 -0.730 1.657 1.00 0.00 H new ATOM 0 HG LEU A 56 5.507 1.197 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.175 -0.826 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.735 -0.732 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.539 -1.832 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.512 0.203 4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.963 -0.737 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.039 1.040 4.140 1.00 0.00 H new ATOM 856 N GLY A 57 10.105 0.824 0.264 1.00 0.00 N ATOM 857 CA GLY A 57 11.457 0.425 -0.090 1.00 0.00 C ATOM 858 C GLY A 57 12.490 1.328 0.585 1.00 0.00 C ATOM 859 O GLY A 57 13.100 0.943 1.581 1.00 0.00 O ATOM 0 H GLY A 57 9.496 1.020 -0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.624 -0.610 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.582 0.470 -1.172 1.00 0.00 H new ATOM 863 N LYS A 58 12.656 2.513 0.016 1.00 0.00 N ATOM 864 CA LYS A 58 13.605 3.474 0.550 1.00 0.00 C ATOM 865 C LYS A 58 13.262 3.765 2.013 1.00 0.00 C ATOM 866 O LYS A 58 14.088 4.294 2.755 1.00 0.00 O ATOM 867 CB LYS A 58 13.654 4.725 -0.330 1.00 0.00 C ATOM 868 CG LYS A 58 13.679 4.351 -1.813 1.00 0.00 C ATOM 869 CD LYS A 58 12.282 4.456 -2.429 1.00 0.00 C ATOM 870 CE LYS A 58 12.321 5.231 -3.747 1.00 0.00 C ATOM 871 NZ LYS A 58 11.595 6.514 -3.615 1.00 0.00 N ATOM 0 H LYS A 58 12.149 2.829 -0.810 1.00 0.00 H new ATOM 0 HA LYS A 58 14.614 3.061 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.787 5.353 -0.124 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.539 5.312 -0.084 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.366 5.009 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.056 3.335 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.881 3.457 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.609 4.953 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.355 5.419 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.873 4.633 -4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.657 6.429 -4.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.485 6.749 -2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.133 7.268 -4.089 1.00 0.00 H new ATOM 885 N MET A 59 12.041 3.406 2.383 1.00 0.00 N ATOM 886 CA MET A 59 11.578 3.621 3.743 1.00 0.00 C ATOM 887 C MET A 59 11.326 5.107 4.008 1.00 0.00 C ATOM 888 O MET A 59 11.611 5.604 5.096 1.00 0.00 O ATOM 889 CB MET A 59 12.626 3.098 4.728 1.00 0.00 C ATOM 890 CG MET A 59 13.210 1.766 4.251 1.00 0.00 C ATOM 891 SD MET A 59 14.042 0.946 5.601 1.00 0.00 S ATOM 892 CE MET A 59 13.093 -0.564 5.678 1.00 0.00 C ATOM 0 H MET A 59 11.359 2.968 1.764 1.00 0.00 H new ATOM 0 HA MET A 59 10.640 3.083 3.877 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.425 3.831 4.838 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.174 2.970 5.712 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.415 1.129 3.862 1.00 0.00 H new ATOM 0 HG3 MET A 59 13.909 1.938 3.433 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.824 -0.772 6.714 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.187 -0.455 5.082 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.688 -1.388 5.285 1.00 0.00 H new ATOM 902 N SER A 60 10.794 5.773 2.994 1.00 0.00 N ATOM 903 CA SER A 60 10.500 7.192 3.104 1.00 0.00 C ATOM 904 C SER A 60 8.987 7.409 3.175 1.00 0.00 C ATOM 905 O SER A 60 8.222 6.688 2.536 1.00 0.00 O ATOM 906 CB SER A 60 11.093 7.970 1.927 1.00 0.00 C ATOM 907 OG SER A 60 11.623 9.229 2.332 1.00 0.00 O ATOM 0 H SER A 60 10.559 5.357 2.093 1.00 0.00 H new ATOM 0 HA SER A 60 10.958 7.566 4.020 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.881 7.378 1.461 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.323 8.127 1.171 1.00 0.00 H new ATOM 0 HG SER A 60 11.049 9.949 1.997 1.00 0.00 H new ATOM 913 N LYS A 61 8.600 8.406 3.957 1.00 0.00 N ATOM 914 CA LYS A 61 7.193 8.727 4.120 1.00 0.00 C ATOM 915 C LYS A 61 6.787 9.768 3.075 1.00 0.00 C ATOM 916 O LYS A 61 5.777 10.452 3.234 1.00 0.00 O ATOM 917 CB LYS A 61 6.904 9.156 5.560 1.00 0.00 C ATOM 918 CG LYS A 61 6.515 7.954 6.423 1.00 0.00 C ATOM 919 CD LYS A 61 5.825 8.405 7.712 1.00 0.00 C ATOM 920 CE LYS A 61 6.676 8.066 8.937 1.00 0.00 C ATOM 921 NZ LYS A 61 5.839 8.034 10.157 1.00 0.00 N ATOM 0 H LYS A 61 9.237 9.002 4.485 1.00 0.00 H new ATOM 0 HA LYS A 61 6.579 7.844 3.946 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.784 9.642 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.099 9.891 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.850 7.298 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.405 7.373 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.645 9.479 7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.852 7.922 7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.159 7.099 8.795 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.469 8.805 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.432 7.802 10.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.398 8.965 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.098 7.312 10.051 1.00 0.00 H new ATOM 935 N ASN A 62 7.596 9.856 2.029 1.00 0.00 N ATOM 936 CA ASN A 62 7.333 10.802 0.958 1.00 0.00 C ATOM 937 C ASN A 62 6.013 10.441 0.276 1.00 0.00 C ATOM 938 O ASN A 62 5.780 9.280 -0.060 1.00 0.00 O ATOM 939 CB ASN A 62 8.439 10.758 -0.099 1.00 0.00 C ATOM 940 CG ASN A 62 9.650 11.584 0.340 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.152 11.459 1.445 1.00 0.00 O ATOM 942 ND2 ASN A 62 10.089 12.433 -0.585 1.00 0.00 N ATOM 0 H ASN A 62 8.433 9.288 1.901 1.00 0.00 H new ATOM 0 HA ASN A 62 7.289 11.800 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.742 9.725 -0.271 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.058 11.140 -1.046 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.893 13.030 -0.389 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.622 12.487 -1.490 1.00 0.00 H new ATOM 949 N GLU A 63 5.181 11.456 0.091 1.00 0.00 N ATOM 950 CA GLU A 63 3.890 11.260 -0.545 1.00 0.00 C ATOM 951 C GLU A 63 4.064 11.082 -2.055 1.00 0.00 C ATOM 952 O GLU A 63 3.174 10.563 -2.728 1.00 0.00 O ATOM 953 CB GLU A 63 2.944 12.421 -0.235 1.00 0.00 C ATOM 954 CG GLU A 63 1.488 11.952 -0.211 1.00 0.00 C ATOM 955 CD GLU A 63 0.605 12.858 -1.070 1.00 0.00 C ATOM 956 OE1 GLU A 63 0.857 12.901 -2.294 1.00 0.00 O ATOM 957 OE2 GLU A 63 -0.302 13.488 -0.484 1.00 0.00 O ATOM 0 H GLU A 63 5.377 12.417 0.371 1.00 0.00 H new ATOM 0 HA GLU A 63 3.442 10.352 -0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.204 12.859 0.728 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.065 13.203 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.427 10.927 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.121 11.948 0.815 1.00 0.00 H new ATOM 964 N GLU A 64 5.214 11.522 -2.542 1.00 0.00 N ATOM 965 CA GLU A 64 5.516 11.417 -3.959 1.00 0.00 C ATOM 966 C GLU A 64 6.213 10.088 -4.257 1.00 0.00 C ATOM 967 O GLU A 64 6.202 9.619 -5.394 1.00 0.00 O ATOM 968 CB GLU A 64 6.366 12.600 -4.428 1.00 0.00 C ATOM 969 CG GLU A 64 6.503 13.649 -3.322 1.00 0.00 C ATOM 970 CD GLU A 64 7.667 13.312 -2.388 1.00 0.00 C ATOM 971 OE1 GLU A 64 8.681 12.797 -2.907 1.00 0.00 O ATOM 972 OE2 GLU A 64 7.517 13.577 -1.176 1.00 0.00 O ATOM 0 H GLU A 64 5.949 11.952 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 64 4.578 11.444 -4.513 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.354 12.248 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.911 13.053 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.661 14.632 -3.766 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.577 13.703 -2.750 1.00 0.00 H new ATOM 979 N ASP A 65 6.804 9.520 -3.216 1.00 0.00 N ATOM 980 CA ASP A 65 7.505 8.255 -3.352 1.00 0.00 C ATOM 981 C ASP A 65 6.496 7.149 -3.667 1.00 0.00 C ATOM 982 O ASP A 65 6.703 6.357 -4.585 1.00 0.00 O ATOM 983 CB ASP A 65 8.226 7.882 -2.055 1.00 0.00 C ATOM 984 CG ASP A 65 9.684 8.339 -1.971 1.00 0.00 C ATOM 985 OD1 ASP A 65 9.945 9.486 -2.396 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.504 7.531 -1.485 1.00 0.00 O ATOM 0 H ASP A 65 6.812 9.913 -2.275 1.00 0.00 H new ATOM 0 HA ASP A 65 8.236 8.359 -4.154 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.678 8.311 -1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.193 6.799 -1.937 1.00 0.00 H new ATOM 991 N VAL A 66 5.425 7.129 -2.887 1.00 0.00 N ATOM 992 CA VAL A 66 4.383 6.134 -3.071 1.00 0.00 C ATOM 993 C VAL A 66 3.977 6.093 -4.545 1.00 0.00 C ATOM 994 O VAL A 66 3.603 7.115 -5.118 1.00 0.00 O ATOM 995 CB VAL A 66 3.209 6.426 -2.135 1.00 0.00 C ATOM 996 CG1 VAL A 66 3.095 7.925 -1.850 1.00 0.00 C ATOM 997 CG2 VAL A 66 1.901 5.877 -2.708 1.00 0.00 C ATOM 0 H VAL A 66 5.257 7.787 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 66 4.752 5.142 -2.808 1.00 0.00 H new ATOM 0 HB VAL A 66 3.400 5.918 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.253 8.105 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.013 8.277 -1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.938 8.462 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.083 6.098 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.703 6.343 -3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.985 4.798 -2.837 1.00 0.00 H new ATOM 1007 N SER A 67 4.065 4.901 -5.118 1.00 0.00 N ATOM 1008 CA SER A 67 3.712 4.714 -6.514 1.00 0.00 C ATOM 1009 C SER A 67 3.064 3.341 -6.711 1.00 0.00 C ATOM 1010 O SER A 67 3.582 2.333 -6.233 1.00 0.00 O ATOM 1011 CB SER A 67 4.939 4.855 -7.417 1.00 0.00 C ATOM 1012 OG SER A 67 5.790 3.714 -7.345 1.00 0.00 O ATOM 0 H SER A 67 4.376 4.055 -4.640 1.00 0.00 H new ATOM 0 HA SER A 67 2.998 5.490 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.616 5.001 -8.448 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.500 5.744 -7.130 1.00 0.00 H new ATOM 0 HG SER A 67 5.820 3.272 -8.219 1.00 0.00 H new ATOM 1018 N PRO A 68 1.912 3.348 -7.433 1.00 0.00 N ATOM 1019 CA PRO A 68 1.188 2.116 -7.699 1.00 0.00 C ATOM 1020 C PRO A 68 1.896 1.284 -8.770 1.00 0.00 C ATOM 1021 O PRO A 68 1.367 0.271 -9.225 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.204 2.560 -8.115 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.074 4.021 -8.516 1.00 0.00 C ATOM 1024 CD PRO A 68 1.270 4.523 -8.014 1.00 0.00 C ATOM 0 HA PRO A 68 1.139 1.461 -6.829 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.574 1.959 -8.946 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.913 2.442 -7.295 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.141 4.127 -9.599 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.886 4.609 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.866 4.938 -8.827 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.146 5.313 -7.273 1.00 0.00 H new ATOM 1032 N SER A 69 3.082 1.743 -9.142 1.00 0.00 N ATOM 1033 CA SER A 69 3.868 1.054 -10.152 1.00 0.00 C ATOM 1034 C SER A 69 5.360 1.246 -9.874 1.00 0.00 C ATOM 1035 O SER A 69 5.893 2.340 -10.053 1.00 0.00 O ATOM 1036 CB SER A 69 3.521 1.554 -11.556 1.00 0.00 C ATOM 1037 OG SER A 69 3.570 0.507 -12.522 1.00 0.00 O ATOM 0 H SER A 69 3.518 2.583 -8.762 1.00 0.00 H new ATOM 0 HA SER A 69 3.630 -0.009 -10.105 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.524 1.994 -11.548 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.216 2.344 -11.842 1.00 0.00 H new ATOM 0 HG SER A 69 3.341 0.865 -13.405 1.00 0.00 H new ATOM 1043 N LEU A 70 5.992 0.165 -9.441 1.00 0.00 N ATOM 1044 CA LEU A 70 7.413 0.200 -9.137 1.00 0.00 C ATOM 1045 C LEU A 70 8.112 1.162 -10.099 1.00 0.00 C ATOM 1046 O LEU A 70 8.909 1.999 -9.677 1.00 0.00 O ATOM 1047 CB LEU A 70 7.998 -1.213 -9.147 1.00 0.00 C ATOM 1048 CG LEU A 70 7.499 -2.138 -10.259 1.00 0.00 C ATOM 1049 CD1 LEU A 70 8.594 -3.116 -10.691 1.00 0.00 C ATOM 1050 CD2 LEU A 70 6.219 -2.862 -9.837 1.00 0.00 C ATOM 0 H LEU A 70 5.546 -0.741 -9.293 1.00 0.00 H new ATOM 0 HA LEU A 70 7.578 0.581 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.082 -1.135 -9.226 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.781 -1.682 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 70 7.252 -1.526 -11.127 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.213 -3.762 -11.482 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.455 -2.558 -11.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.895 -3.725 -9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.886 -3.513 -10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.416 -3.460 -8.947 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.442 -2.130 -9.617 1.00 0.00 H new ATOM 1062 N GLU A 71 7.789 1.011 -11.375 1.00 0.00 N ATOM 1063 CA GLU A 71 8.377 1.856 -12.401 1.00 0.00 C ATOM 1064 C GLU A 71 9.216 2.963 -11.760 1.00 0.00 C ATOM 1065 O GLU A 71 8.750 4.091 -11.608 1.00 0.00 O ATOM 1066 CB GLU A 71 7.297 2.444 -13.312 1.00 0.00 C ATOM 1067 CG GLU A 71 6.841 1.420 -14.353 1.00 0.00 C ATOM 1068 CD GLU A 71 7.705 1.498 -15.614 1.00 0.00 C ATOM 1069 OE1 GLU A 71 7.872 2.630 -16.118 1.00 0.00 O ATOM 1070 OE2 GLU A 71 8.178 0.425 -16.046 1.00 0.00 O ATOM 0 H GLU A 71 7.128 0.316 -11.722 1.00 0.00 H new ATOM 0 HA GLU A 71 9.032 1.242 -13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.444 2.763 -12.712 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.683 3.331 -13.814 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.898 0.417 -13.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.797 1.599 -14.611 1.00 0.00 H new ATOM 1077 N GLY A 72 10.440 2.602 -11.403 1.00 0.00 N ATOM 1078 CA GLY A 72 11.348 3.551 -10.782 1.00 0.00 C ATOM 1079 C GLY A 72 12.040 2.932 -9.566 1.00 0.00 C ATOM 1080 O GLY A 72 13.216 3.194 -9.316 1.00 0.00 O ATOM 0 H GLY A 72 10.824 1.666 -11.532 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.096 3.872 -11.507 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.797 4.441 -10.478 1.00 0.00 H new ATOM 1084 N LEU A 73 11.281 2.123 -8.841 1.00 0.00 N ATOM 1085 CA LEU A 73 11.807 1.465 -7.657 1.00 0.00 C ATOM 1086 C LEU A 73 13.216 0.945 -7.950 1.00 0.00 C ATOM 1087 O LEU A 73 13.389 0.034 -8.758 1.00 0.00 O ATOM 1088 CB LEU A 73 10.840 0.382 -7.173 1.00 0.00 C ATOM 1089 CG LEU A 73 10.150 0.650 -5.834 1.00 0.00 C ATOM 1090 CD1 LEU A 73 8.638 0.797 -6.016 1.00 0.00 C ATOM 1091 CD2 LEU A 73 10.501 -0.432 -4.810 1.00 0.00 C ATOM 0 H LEU A 73 10.306 1.908 -9.051 1.00 0.00 H new ATOM 0 HA LEU A 73 11.894 2.174 -6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.072 0.242 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.387 -0.558 -7.096 1.00 0.00 H new ATOM 0 HG LEU A 73 10.521 1.597 -5.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.172 0.987 -5.049 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.432 1.630 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.232 -0.121 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.998 -0.218 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.176 -1.404 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 73 11.579 -0.446 -4.651 1.00 0.00 H new ATOM 1103 N THR A 74 14.186 1.547 -7.278 1.00 0.00 N ATOM 1104 CA THR A 74 15.574 1.156 -7.457 1.00 0.00 C ATOM 1105 C THR A 74 15.843 -0.184 -6.769 1.00 0.00 C ATOM 1106 O THR A 74 14.914 -0.854 -6.322 1.00 0.00 O ATOM 1107 CB THR A 74 16.456 2.294 -6.937 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.430 2.134 -5.522 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.831 3.671 -7.169 1.00 0.00 C ATOM 0 H THR A 74 14.038 2.302 -6.609 1.00 0.00 H new ATOM 0 HA THR A 74 15.808 0.998 -8.510 1.00 0.00 H new ATOM 0 HB THR A 74 17.430 2.251 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.841 2.915 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.497 4.443 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.678 3.826 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.872 3.727 -6.653 1.00 0.00 H new ATOM 1117 N GLU A 75 17.120 -0.534 -6.706 1.00 0.00 N ATOM 1118 CA GLU A 75 17.523 -1.782 -6.080 1.00 0.00 C ATOM 1119 C GLU A 75 17.326 -1.704 -4.565 1.00 0.00 C ATOM 1120 O GLU A 75 16.833 -2.648 -3.950 1.00 0.00 O ATOM 1121 CB GLU A 75 18.973 -2.125 -6.428 1.00 0.00 C ATOM 1122 CG GLU A 75 19.041 -3.342 -7.353 1.00 0.00 C ATOM 1123 CD GLU A 75 20.157 -4.296 -6.923 1.00 0.00 C ATOM 1124 OE1 GLU A 75 21.271 -3.789 -6.669 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.872 -5.511 -6.858 1.00 0.00 O ATOM 0 H GLU A 75 17.888 0.025 -7.078 1.00 0.00 H new ATOM 0 HA GLU A 75 16.891 -2.582 -6.467 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.447 -1.270 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.532 -2.326 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 75 18.085 -3.866 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 75 19.213 -3.015 -8.378 1.00 0.00 H new ATOM 1132 N LYS A 76 17.722 -0.569 -4.007 1.00 0.00 N ATOM 1133 CA LYS A 76 17.595 -0.356 -2.575 1.00 0.00 C ATOM 1134 C LYS A 76 16.157 -0.652 -2.145 1.00 0.00 C ATOM 1135 O LYS A 76 15.930 -1.415 -1.207 1.00 0.00 O ATOM 1136 CB LYS A 76 18.073 1.047 -2.198 1.00 0.00 C ATOM 1137 CG LYS A 76 16.980 1.818 -1.456 1.00 0.00 C ATOM 1138 CD LYS A 76 17.462 3.218 -1.069 1.00 0.00 C ATOM 1139 CE LYS A 76 18.412 3.159 0.129 1.00 0.00 C ATOM 1140 NZ LYS A 76 19.424 4.236 0.041 1.00 0.00 N ATOM 0 H LYS A 76 18.131 0.212 -4.520 1.00 0.00 H new ATOM 0 HA LYS A 76 18.239 -1.045 -2.029 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.962 0.976 -1.571 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.360 1.591 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.094 1.896 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.688 1.270 -0.560 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.968 3.679 -1.917 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.606 3.848 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.846 3.259 1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 76 18.907 2.188 0.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.061 4.182 0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.976 4.123 -0.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.947 5.160 0.033 1.00 0.00 H new ATOM 1154 N GLU A 77 15.223 -0.033 -2.851 1.00 0.00 N ATOM 1155 CA GLU A 77 13.813 -0.220 -2.555 1.00 0.00 C ATOM 1156 C GLU A 77 13.342 -1.587 -3.054 1.00 0.00 C ATOM 1157 O GLU A 77 12.598 -2.282 -2.363 1.00 0.00 O ATOM 1158 CB GLU A 77 12.971 0.905 -3.161 1.00 0.00 C ATOM 1159 CG GLU A 77 13.496 1.299 -4.543 1.00 0.00 C ATOM 1160 CD GLU A 77 14.137 2.688 -4.510 1.00 0.00 C ATOM 1161 OE1 GLU A 77 15.108 2.846 -3.738 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.642 3.559 -5.256 1.00 0.00 O ATOM 0 H GLU A 77 15.415 0.599 -3.628 1.00 0.00 H new ATOM 0 HA GLU A 77 13.682 -0.185 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.932 0.584 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.987 1.772 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.227 0.565 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.678 1.289 -5.263 1.00 0.00 H new ATOM 1169 N ILE A 78 13.796 -1.933 -4.250 1.00 0.00 N ATOM 1170 CA ILE A 78 13.431 -3.205 -4.850 1.00 0.00 C ATOM 1171 C ILE A 78 13.705 -4.332 -3.852 1.00 0.00 C ATOM 1172 O ILE A 78 13.037 -5.365 -3.877 1.00 0.00 O ATOM 1173 CB ILE A 78 14.140 -3.388 -6.193 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.377 -2.681 -7.316 1.00 0.00 C ATOM 1175 CG2 ILE A 78 14.365 -4.870 -6.497 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.710 -3.695 -8.248 1.00 0.00 C ATOM 0 H ILE A 78 14.413 -1.354 -4.820 1.00 0.00 H new ATOM 0 HA ILE A 78 12.364 -3.228 -5.073 1.00 0.00 H new ATOM 0 HB ILE A 78 15.123 -2.921 -6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.621 -2.022 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.061 -2.053 -7.886 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.871 -4.972 -7.457 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.981 -5.313 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 78 13.404 -5.383 -6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 78 12.175 -3.167 -9.037 1.00 0.00 H new ATOM 0 HD12 ILE A 78 13.471 -4.336 -8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 78 12.008 -4.305 -7.679 1.00 0.00 H new ATOM 1188 N ASN A 79 14.689 -4.096 -2.996 1.00 0.00 N ATOM 1189 CA ASN A 79 15.059 -5.078 -1.992 1.00 0.00 C ATOM 1190 C ASN A 79 14.154 -4.917 -0.769 1.00 0.00 C ATOM 1191 O ASN A 79 13.643 -5.901 -0.237 1.00 0.00 O ATOM 1192 CB ASN A 79 16.507 -4.882 -1.537 1.00 0.00 C ATOM 1193 CG ASN A 79 17.471 -5.677 -2.420 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.337 -6.874 -2.609 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.448 -4.946 -2.949 1.00 0.00 N ATOM 0 H ASN A 79 15.241 -3.239 -2.978 1.00 0.00 H new ATOM 0 HA ASN A 79 14.950 -6.069 -2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.763 -3.823 -1.574 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.612 -5.200 -0.500 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.143 -5.384 -3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.503 -3.947 -2.750 1.00 0.00 H new ATOM 1202 N THR A 80 13.983 -3.668 -0.359 1.00 0.00 N ATOM 1203 CA THR A 80 13.149 -3.366 0.791 1.00 0.00 C ATOM 1204 C THR A 80 11.669 -3.494 0.425 1.00 0.00 C ATOM 1205 O THR A 80 10.896 -4.110 1.157 1.00 0.00 O ATOM 1206 CB THR A 80 13.531 -1.974 1.300 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.834 -2.150 1.848 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.681 -1.533 2.493 1.00 0.00 C ATOM 0 H THR A 80 14.408 -2.854 -0.803 1.00 0.00 H new ATOM 0 HA THR A 80 13.315 -4.080 1.598 1.00 0.00 H new ATOM 0 HB THR A 80 13.425 -1.250 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.159 -1.295 2.200 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.993 -0.539 2.815 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.631 -1.507 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.813 -2.238 3.314 1.00 0.00 H new ATOM 1216 N LEU A 81 11.319 -2.902 -0.708 1.00 0.00 N ATOM 1217 CA LEU A 81 9.946 -2.942 -1.180 1.00 0.00 C ATOM 1218 C LEU A 81 9.503 -4.400 -1.325 1.00 0.00 C ATOM 1219 O LEU A 81 8.480 -4.799 -0.773 1.00 0.00 O ATOM 1220 CB LEU A 81 9.797 -2.124 -2.464 1.00 0.00 C ATOM 1221 CG LEU A 81 8.519 -2.367 -3.270 1.00 0.00 C ATOM 1222 CD1 LEU A 81 8.638 -3.634 -4.118 1.00 0.00 C ATOM 1223 CD2 LEU A 81 7.293 -2.402 -2.355 1.00 0.00 C ATOM 0 H LEU A 81 11.963 -2.392 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 81 9.280 -2.477 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.844 -1.066 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.653 -2.333 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 81 8.384 -1.532 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.716 -3.783 -4.681 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.473 -3.531 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.809 -4.492 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.398 -2.576 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.405 -3.205 -1.627 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.201 -1.450 -1.833 1.00 0.00 H new ATOM 1235 N ASN A 82 10.297 -5.154 -2.071 1.00 0.00 N ATOM 1236 CA ASN A 82 10.000 -6.559 -2.296 1.00 0.00 C ATOM 1237 C ASN A 82 9.668 -7.226 -0.960 1.00 0.00 C ATOM 1238 O ASN A 82 8.573 -7.758 -0.782 1.00 0.00 O ATOM 1239 CB ASN A 82 11.202 -7.286 -2.902 1.00 0.00 C ATOM 1240 CG ASN A 82 11.105 -7.330 -4.428 1.00 0.00 C ATOM 1241 OD1 ASN A 82 11.009 -6.132 -4.998 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 11.116 -8.381 -5.046 1.00 0.00 N flip ATOM 0 H ASN A 82 11.145 -4.819 -2.527 1.00 0.00 H new ATOM 0 HA ASN A 82 9.157 -6.619 -2.985 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.123 -6.782 -2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.254 -8.301 -2.508 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.192 -9.266 -4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.049 -8.375 -6.064 1.00 0.00 H new ATOM 1249 N ASP A 83 10.633 -7.175 -0.054 1.00 0.00 N ATOM 1250 CA ASP A 83 10.457 -7.767 1.261 1.00 0.00 C ATOM 1251 C ASP A 83 9.243 -7.133 1.943 1.00 0.00 C ATOM 1252 O ASP A 83 8.511 -7.807 2.667 1.00 0.00 O ATOM 1253 CB ASP A 83 11.680 -7.518 2.146 1.00 0.00 C ATOM 1254 CG ASP A 83 12.314 -8.777 2.742 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.676 -9.664 1.940 1.00 0.00 O ATOM 1256 OD2 ASP A 83 12.423 -8.823 3.987 1.00 0.00 O ATOM 0 H ASP A 83 11.540 -6.733 -0.205 1.00 0.00 H new ATOM 0 HA ASP A 83 10.319 -8.840 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.434 -6.993 1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.391 -6.854 2.961 1.00 0.00 H new ATOM 1261 N TRP A 84 9.068 -5.845 1.689 1.00 0.00 N ATOM 1262 CA TRP A 84 7.955 -5.112 2.269 1.00 0.00 C ATOM 1263 C TRP A 84 6.658 -5.786 1.817 1.00 0.00 C ATOM 1264 O TRP A 84 5.768 -6.036 2.629 1.00 0.00 O ATOM 1265 CB TRP A 84 8.020 -3.630 1.896 1.00 0.00 C ATOM 1266 CG TRP A 84 8.563 -2.731 3.009 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.471 -1.751 2.909 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.191 -2.770 4.403 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.711 -1.158 4.132 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.908 -1.797 5.069 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.280 -3.600 5.079 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.788 -1.563 6.444 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.171 -3.353 6.453 1.00 0.00 C ATOM 1274 CH2 TRP A 84 7.886 -2.378 7.138 1.00 0.00 C ATOM 0 H TRP A 84 9.678 -5.290 1.089 1.00 0.00 H new ATOM 0 HA TRP A 84 8.001 -5.140 3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.647 -3.516 1.012 1.00 0.00 H new ATOM 0 HB3 TRP A 84 7.021 -3.290 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.954 -1.461 1.988 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.359 -0.392 4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.709 -4.368 4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.361 -0.795 6.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.483 -3.963 7.020 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.746 -2.250 8.201 1.00 0.00 H new ATOM 1285 N GLU A 85 6.592 -6.061 0.522 1.00 0.00 N ATOM 1286 CA GLU A 85 5.418 -6.701 -0.047 1.00 0.00 C ATOM 1287 C GLU A 85 5.166 -8.049 0.632 1.00 0.00 C ATOM 1288 O GLU A 85 4.042 -8.342 1.039 1.00 0.00 O ATOM 1289 CB GLU A 85 5.566 -6.870 -1.561 1.00 0.00 C ATOM 1290 CG GLU A 85 4.837 -8.124 -2.047 1.00 0.00 C ATOM 1291 CD GLU A 85 5.694 -9.374 -1.834 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.911 -9.280 -2.103 1.00 0.00 O ATOM 1293 OE2 GLU A 85 5.113 -10.394 -1.406 1.00 0.00 O ATOM 0 H GLU A 85 7.332 -5.852 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 85 4.556 -6.059 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.166 -5.993 -2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.622 -6.935 -1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.893 -8.230 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.594 -8.021 -3.105 1.00 0.00 H new ATOM 1300 N THR A 86 6.229 -8.832 0.735 1.00 0.00 N ATOM 1301 CA THR A 86 6.137 -10.141 1.358 1.00 0.00 C ATOM 1302 C THR A 86 5.757 -10.004 2.834 1.00 0.00 C ATOM 1303 O THR A 86 5.067 -10.861 3.384 1.00 0.00 O ATOM 1304 CB THR A 86 7.467 -10.865 1.138 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.323 -11.472 -0.143 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.655 -12.047 2.091 1.00 0.00 C ATOM 0 H THR A 86 7.159 -8.585 0.397 1.00 0.00 H new ATOM 0 HA THR A 86 5.346 -10.739 0.905 1.00 0.00 H new ATOM 0 HB THR A 86 8.289 -10.161 1.266 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.142 -11.962 -0.367 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.614 -12.525 1.893 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.633 -11.691 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.852 -12.768 1.939 1.00 0.00 H new ATOM 1314 N LYS A 87 6.225 -8.919 3.434 1.00 0.00 N ATOM 1315 CA LYS A 87 5.944 -8.658 4.835 1.00 0.00 C ATOM 1316 C LYS A 87 4.508 -8.147 4.976 1.00 0.00 C ATOM 1317 O LYS A 87 3.776 -8.579 5.865 1.00 0.00 O ATOM 1318 CB LYS A 87 6.993 -7.714 5.426 1.00 0.00 C ATOM 1319 CG LYS A 87 8.387 -8.341 5.370 1.00 0.00 C ATOM 1320 CD LYS A 87 9.472 -7.262 5.320 1.00 0.00 C ATOM 1321 CE LYS A 87 9.242 -6.204 6.401 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.405 -6.136 7.315 1.00 0.00 N ATOM 0 H LYS A 87 6.797 -8.210 2.975 1.00 0.00 H new ATOM 0 HA LYS A 87 6.014 -9.578 5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.991 -6.773 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.736 -7.480 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.540 -8.975 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.466 -8.982 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.452 -7.720 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.475 -6.789 4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.079 -5.231 5.937 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.341 -6.443 6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.233 -5.413 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.543 -7.061 7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.257 -5.886 6.774 1.00 0.00 H new ATOM 1336 N PHE A 88 4.149 -7.235 4.085 1.00 0.00 N ATOM 1337 CA PHE A 88 2.814 -6.661 4.098 1.00 0.00 C ATOM 1338 C PHE A 88 1.772 -7.684 3.642 1.00 0.00 C ATOM 1339 O PHE A 88 0.701 -7.793 4.238 1.00 0.00 O ATOM 1340 CB PHE A 88 2.822 -5.487 3.117 1.00 0.00 C ATOM 1341 CG PHE A 88 2.594 -4.124 3.775 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.446 -3.683 4.739 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.539 -3.354 3.396 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.234 -2.419 5.350 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.327 -2.090 4.007 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.179 -1.649 4.971 1.00 0.00 C ATOM 0 H PHE A 88 4.759 -6.879 3.349 1.00 0.00 H new ATOM 0 HA PHE A 88 2.555 -6.345 5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.778 -5.471 2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.050 -5.650 2.365 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.284 -4.294 5.040 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.862 -3.704 2.630 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.911 -2.069 6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.489 -1.479 3.706 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.018 -0.687 5.435 1.00 0.00 H new ATOM 1356 N GLU A 89 2.122 -8.408 2.590 1.00 0.00 N ATOM 1357 CA GLU A 89 1.231 -9.419 2.047 1.00 0.00 C ATOM 1358 C GLU A 89 1.158 -10.623 2.988 1.00 0.00 C ATOM 1359 O GLU A 89 0.227 -11.423 2.907 1.00 0.00 O ATOM 1360 CB GLU A 89 1.673 -9.845 0.645 1.00 0.00 C ATOM 1361 CG GLU A 89 2.530 -11.111 0.702 1.00 0.00 C ATOM 1362 CD GLU A 89 1.830 -12.278 0.003 1.00 0.00 C ATOM 1363 OE1 GLU A 89 0.700 -12.600 0.429 1.00 0.00 O ATOM 1364 OE2 GLU A 89 2.442 -12.823 -0.941 1.00 0.00 O ATOM 0 H GLU A 89 3.011 -8.315 2.099 1.00 0.00 H new ATOM 0 HA GLU A 89 0.234 -8.988 1.962 1.00 0.00 H new ATOM 0 HB2 GLU A 89 0.797 -10.022 0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.239 -9.039 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.494 -10.924 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.731 -11.372 1.741 1.00 0.00 H new ATOM 1371 N ALA A 90 2.152 -10.715 3.859 1.00 0.00 N ATOM 1372 CA ALA A 90 2.212 -11.808 4.814 1.00 0.00 C ATOM 1373 C ALA A 90 1.726 -11.314 6.178 1.00 0.00 C ATOM 1374 O ALA A 90 1.450 -12.115 7.070 1.00 0.00 O ATOM 1375 CB ALA A 90 3.638 -12.360 4.868 1.00 0.00 C ATOM 0 H ALA A 90 2.923 -10.050 3.923 1.00 0.00 H new ATOM 0 HA ALA A 90 1.558 -12.624 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.684 -13.180 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.925 -12.724 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.323 -11.570 5.177 1.00 0.00 H new ATOM 1381 N LYS A 91 1.636 -9.998 6.298 1.00 0.00 N ATOM 1382 CA LYS A 91 1.188 -9.388 7.538 1.00 0.00 C ATOM 1383 C LYS A 91 -0.243 -8.877 7.362 1.00 0.00 C ATOM 1384 O LYS A 91 -1.141 -9.267 8.107 1.00 0.00 O ATOM 1385 CB LYS A 91 2.174 -8.310 7.993 1.00 0.00 C ATOM 1386 CG LYS A 91 3.498 -8.932 8.442 1.00 0.00 C ATOM 1387 CD LYS A 91 3.633 -8.891 9.966 1.00 0.00 C ATOM 1388 CE LYS A 91 5.045 -8.470 10.379 1.00 0.00 C ATOM 1389 NZ LYS A 91 4.990 -7.332 11.323 1.00 0.00 N ATOM 0 H LYS A 91 1.866 -9.337 5.556 1.00 0.00 H new ATOM 0 HA LYS A 91 1.167 -10.127 8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.355 -7.610 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.740 -7.738 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.555 -9.964 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.330 -8.396 7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.905 -8.193 10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.406 -9.873 10.382 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.561 -9.311 10.843 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.621 -8.191 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.956 -7.058 11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.517 -6.526 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.459 -7.611 12.172 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.411 -8.012 6.373 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.718 -7.444 6.090 1.00 0.00 C ATOM 1405 C TYR A 92 -2.507 -8.335 5.129 1.00 0.00 C ATOM 1406 O TYR A 92 -1.937 -8.919 4.208 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.455 -6.096 5.416 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.112 -4.969 6.392 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -1.919 -4.735 7.488 1.00 0.00 C ATOM 1410 CD2 TYR A 92 0.003 -4.185 6.178 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.597 -3.675 8.406 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.326 -3.124 7.097 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.490 -2.921 8.166 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.186 -1.919 9.033 1.00 0.00 O ATOM 0 H TYR A 92 0.336 -7.691 5.758 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.301 -7.347 7.006 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.636 -6.210 4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.337 -5.810 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.792 -5.348 7.656 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.634 -4.367 5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.220 -3.482 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.196 -2.504 6.941 1.00 0.00 H new ATOM 0 HH TYR A 92 0.631 -1.466 8.736 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.841 -8.414 5.382 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.714 -9.224 4.549 1.00 0.00 C ATOM 1426 C PRO A 93 -4.974 -8.545 3.203 1.00 0.00 C ATOM 1427 O PRO A 93 -5.298 -7.359 3.155 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.978 -9.414 5.373 1.00 0.00 C ATOM 1429 CG PRO A 93 -5.952 -8.325 6.433 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.551 -7.736 6.462 1.00 0.00 C ATOM 0 HA PRO A 93 -4.274 -10.187 4.291 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.868 -9.330 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.001 -10.403 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.686 -7.552 6.205 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.214 -8.735 7.408 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.572 -6.657 6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.068 -7.910 7.424 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.823 -9.326 2.144 1.00 0.00 N ATOM 1439 CA VAL A 94 -5.038 -8.814 0.801 1.00 0.00 C ATOM 1440 C VAL A 94 -6.472 -9.122 0.366 1.00 0.00 C ATOM 1441 O VAL A 94 -6.807 -10.272 0.084 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.988 -9.389 -0.152 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.439 -10.717 0.373 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -4.558 -9.551 -1.563 1.00 0.00 C ATOM 0 H VAL A 94 -4.555 -10.309 2.188 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.918 -7.731 0.781 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.160 -8.682 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.695 -11.104 -0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.977 -10.560 1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.254 -11.435 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.791 -9.961 -2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.412 -10.228 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.877 -8.579 -1.940 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.282 -8.074 0.324 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.672 -8.217 -0.072 1.00 0.00 C ATOM 1456 C VAL A 95 -8.764 -8.242 -1.599 1.00 0.00 C ATOM 1457 O VAL A 95 -9.857 -8.308 -2.158 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.514 -7.106 0.560 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.360 -7.099 2.082 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -9.155 -5.742 -0.034 1.00 0.00 C ATOM 0 H VAL A 95 -7.001 -7.122 0.558 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.077 -9.161 0.293 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.561 -7.307 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.969 -6.300 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.687 -8.057 2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.314 -6.935 2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.767 -4.970 0.432 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.102 -5.531 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.340 -5.753 -1.108 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.600 -8.188 -2.230 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.535 -8.203 -3.681 1.00 0.00 C ATOM 1472 C GLY A 96 -6.235 -7.567 -4.178 1.00 0.00 C ATOM 1473 O GLY A 96 -5.429 -7.088 -3.381 1.00 0.00 O ATOM 0 H GLY A 96 -6.695 -8.134 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.603 -9.230 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.388 -7.664 -4.092 1.00 0.00 H new ATOM 1477 N ARG A 97 -6.071 -7.582 -5.493 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.883 -7.012 -6.106 1.00 0.00 C ATOM 1479 C ARG A 97 -5.254 -5.787 -6.944 1.00 0.00 C ATOM 1480 O ARG A 97 -6.275 -5.784 -7.629 1.00 0.00 O ATOM 1481 CB ARG A 97 -4.178 -8.037 -6.997 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.718 -7.982 -8.428 1.00 0.00 C ATOM 1483 CD ARG A 97 -3.667 -7.422 -9.389 1.00 0.00 C ATOM 1484 NE ARG A 97 -4.257 -7.240 -10.734 1.00 0.00 N ATOM 1485 CZ ARG A 97 -3.664 -6.566 -11.729 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -2.462 -6.006 -11.537 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -4.274 -6.452 -12.917 1.00 0.00 N ATOM 0 H ARG A 97 -6.741 -7.980 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.205 -6.716 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -3.105 -7.844 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.320 -9.038 -6.589 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.013 -8.981 -8.748 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -5.613 -7.360 -8.459 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.292 -6.469 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.815 -8.100 -9.445 1.00 0.00 H new ATOM 0 HE ARG A 97 -5.172 -7.653 -10.915 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.998 -6.093 -10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.011 -5.493 -12.295 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.189 -6.878 -13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.823 -5.939 -13.675 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.403 -4.774 -6.861 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.628 -3.545 -7.603 1.00 0.00 C ATOM 1503 C VAL A 98 -4.923 -3.884 -9.065 1.00 0.00 C ATOM 1504 O VAL A 98 -4.688 -5.009 -9.505 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.431 -2.607 -7.437 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.328 -1.635 -8.614 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.507 -1.852 -6.108 1.00 0.00 C ATOM 0 H VAL A 98 -3.557 -4.780 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.496 -3.015 -7.210 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.527 -3.216 -7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.469 -0.980 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.206 -2.197 -9.540 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.236 -1.035 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.645 -1.192 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.422 -1.260 -6.078 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.509 -2.565 -5.284 1.00 0.00 H new ATOM 1517 N VAL A 99 -5.434 -2.891 -9.778 1.00 0.00 N ATOM 1518 CA VAL A 99 -5.764 -3.070 -11.182 1.00 0.00 C ATOM 1519 C VAL A 99 -5.610 -1.734 -11.912 1.00 0.00 C ATOM 1520 O VAL A 99 -4.627 -1.519 -12.619 1.00 0.00 O ATOM 1521 CB VAL A 99 -7.166 -3.668 -11.318 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -7.098 -5.180 -11.541 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -8.026 -3.331 -10.099 1.00 0.00 C ATOM 0 H VAL A 99 -5.628 -1.960 -9.410 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.077 -3.776 -11.649 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.637 -3.222 -12.194 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -8.108 -5.580 -11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.539 -5.388 -12.453 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.598 -5.651 -10.694 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.017 -3.768 -10.221 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.559 -3.736 -9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.115 -2.249 -10.005 1.00 0.00 H new ATOM 1533 N SER A 100 -6.596 -0.872 -11.715 1.00 0.00 N ATOM 1534 CA SER A 100 -6.583 0.437 -12.346 1.00 0.00 C ATOM 1535 C SER A 100 -6.674 0.287 -13.866 1.00 0.00 C ATOM 1536 O SER A 100 -7.368 -0.597 -14.365 1.00 0.00 O ATOM 1537 CB SER A 100 -5.324 1.219 -11.964 1.00 0.00 C ATOM 1538 OG SER A 100 -5.145 2.374 -12.780 1.00 0.00 O ATOM 0 H SER A 100 -7.410 -1.054 -11.127 1.00 0.00 H new ATOM 0 HA SER A 100 -7.448 0.997 -11.991 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.388 1.520 -10.918 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.453 0.571 -12.057 1.00 0.00 H new ATOM 0 HG SER A 100 -4.332 2.847 -12.504 1.00 0.00 H new