USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 911 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 20 GLN : amide:sc= 0.698 K(o=-0.17,f=-5.8!) USER MOD Set 1.2: B 19 SER OG : rot -100:sc= -0.872! USER MOD Set 2.1: A 52 ASN :FLIP amide:sc= -3.88! C(o=-9.2!,f=-6.3!) USER MOD Set 2.2: B 16 SER OG : rot 63:sc= -2.38! USER MOD Set 3.1: A 46 MET CE :methyl -179:sc= -3.67! (180deg=-3.68!) USER MOD Set 3.2: B 9 ASN :FLIP amide:sc= -2.35 F(o=-8.3!,f=-6) USER MOD Set 4.1: A 22 GLN : amide:sc= -6.34! C(o=-7!,f=-7.9!) USER MOD Set 4.2: A 23 MET CE :methyl -144:sc= -0.666 (180deg=0) USER MOD Set 5.1: A 18 GLN : amide:sc= -0.591 K(o=-1.1,f=-1.7!) USER MOD Set 5.2: B 18 TYR OH : rot 180:sc= -0.503 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= -0.666 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0202 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -129:sc= -5.76! (180deg=-11.3!) USER MOD Single : A 14 SER OG : rot 88:sc= 0.319 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 35 MET CE :methyl 153:sc=-0.00234 (180deg=-1.16) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -8.6! C(o=-10!,f=-8.6!) USER MOD Single : A 38 THR OG1 : rot 110:sc= -1.46 USER MOD Single : A 42 LYS NZ :NH3+ -110:sc= 0.638 (180deg=-0.00287) USER MOD Single : A 44 THR OG1 : rot 84:sc= -1.3 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.23) USER MOD Single : A 58 MET CE :methyl -159:sc= -10.1! (180deg=-11.8!) USER MOD Single : A 61 SER OG : rot 77:sc= 0.627 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 85:sc= 0.912 USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0.0802 (180deg=-0.308) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0819 X(o=-0.082,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.0599 X(o=-0.06,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.482 K(o=-0.48,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.355 K(o=-0.35,f=-2.1) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -65:sc= 1.15 USER MOD Single : B 1 VAL N :NH3+ 165:sc= -0.208 (180deg=-0.409) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 SER OG : rot 125:sc= -2.71! USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -3:sc= 0.916 USER MOD Single : B 21 SER OG : rot 180:sc= 0 USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.046 -18.517 -7.989 1.00 0.00 N ATOM 2 CA GLY A 1 11.747 -17.066 -7.839 1.00 0.00 C ATOM 3 C GLY A 1 10.261 -16.765 -7.918 1.00 0.00 C ATOM 4 O GLY A 1 9.562 -17.311 -8.771 1.00 0.00 O ATOM 0 H1 GLY A 1 13.073 -18.668 -7.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.572 -19.049 -7.232 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.702 -18.849 -8.913 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.134 -16.716 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.269 -16.509 -8.617 1.00 0.00 H new ATOM 10 N PRO A 2 9.741 -15.890 -7.037 1.00 0.00 N ATOM 11 CA PRO A 2 8.320 -15.530 -7.029 1.00 0.00 C ATOM 12 C PRO A 2 7.924 -14.689 -8.237 1.00 0.00 C ATOM 13 O PRO A 2 8.188 -13.489 -8.285 1.00 0.00 O ATOM 14 CB PRO A 2 8.161 -14.720 -5.740 1.00 0.00 C ATOM 15 CG PRO A 2 9.516 -14.168 -5.467 1.00 0.00 C ATOM 16 CD PRO A 2 10.495 -15.187 -5.981 1.00 0.00 C ATOM 0 HA PRO A 2 7.681 -16.412 -7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.427 -13.924 -5.862 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.817 -15.348 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 2 9.654 -13.209 -5.967 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.658 -13.995 -4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 2 11.394 -14.715 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.814 -15.870 -5.193 1.00 0.00 H new ATOM 24 N LEU A 3 7.287 -15.331 -9.209 1.00 0.00 N ATOM 25 CA LEU A 3 6.844 -14.648 -10.419 1.00 0.00 C ATOM 26 C LEU A 3 5.587 -13.828 -10.150 1.00 0.00 C ATOM 27 O LEU A 3 4.968 -13.955 -9.094 1.00 0.00 O ATOM 28 CB LEU A 3 6.587 -15.658 -11.546 1.00 0.00 C ATOM 29 CG LEU A 3 5.412 -16.616 -11.317 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.873 -17.123 -12.646 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.832 -17.785 -10.437 1.00 0.00 C ATOM 0 H LEU A 3 7.065 -16.326 -9.183 1.00 0.00 H new ATOM 0 HA LEU A 3 7.637 -13.969 -10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.410 -15.108 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.491 -16.248 -11.695 1.00 0.00 H new ATOM 0 HG LEU A 3 4.621 -16.068 -10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.039 -17.802 -12.465 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.531 -16.279 -13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.662 -17.652 -13.181 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.983 -18.452 -10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.642 -18.332 -10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.173 -17.410 -9.472 1.00 0.00 H new ATOM 43 N GLY A 4 5.217 -12.983 -11.107 1.00 0.00 N ATOM 44 CA GLY A 4 4.037 -12.151 -10.947 1.00 0.00 C ATOM 45 C GLY A 4 2.747 -12.895 -11.241 1.00 0.00 C ATOM 46 O GLY A 4 2.428 -13.164 -12.398 1.00 0.00 O ATOM 0 H GLY A 4 5.712 -12.859 -11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.005 -11.767 -9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.113 -11.289 -11.610 1.00 0.00 H new ATOM 50 N SER A 5 2.004 -13.227 -10.187 1.00 0.00 N ATOM 51 CA SER A 5 0.741 -13.943 -10.336 1.00 0.00 C ATOM 52 C SER A 5 -0.453 -12.993 -10.218 1.00 0.00 C ATOM 53 O SER A 5 -1.241 -12.861 -11.155 1.00 0.00 O ATOM 54 CB SER A 5 0.629 -15.059 -9.294 1.00 0.00 C ATOM 55 OG SER A 5 1.756 -15.071 -8.435 1.00 0.00 O ATOM 0 H SER A 5 2.255 -13.011 -9.222 1.00 0.00 H new ATOM 0 HA SER A 5 0.727 -14.386 -11.332 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.279 -14.922 -8.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.541 -16.022 -9.797 1.00 0.00 H new ATOM 0 HG SER A 5 1.659 -15.792 -7.778 1.00 0.00 H new ATOM 61 N PRO A 6 -0.609 -12.320 -9.061 1.00 0.00 N ATOM 62 CA PRO A 6 -1.721 -11.388 -8.838 1.00 0.00 C ATOM 63 C PRO A 6 -1.813 -10.325 -9.927 1.00 0.00 C ATOM 64 O PRO A 6 -1.230 -9.248 -9.807 1.00 0.00 O ATOM 65 CB PRO A 6 -1.392 -10.747 -7.487 1.00 0.00 C ATOM 66 CG PRO A 6 -0.516 -11.737 -6.799 1.00 0.00 C ATOM 67 CD PRO A 6 0.277 -12.411 -7.884 1.00 0.00 C ATOM 0 HA PRO A 6 -2.685 -11.896 -8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.884 -9.791 -7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.297 -10.552 -6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.142 -11.245 -6.083 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.109 -12.462 -6.241 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.229 -11.909 -8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.505 -13.447 -7.631 1.00 0.00 H new ATOM 75 N LEU A 7 -2.550 -10.637 -10.990 1.00 0.00 N ATOM 76 CA LEU A 7 -2.721 -9.711 -12.105 1.00 0.00 C ATOM 77 C LEU A 7 -3.756 -8.643 -11.769 1.00 0.00 C ATOM 78 O LEU A 7 -4.799 -8.938 -11.185 1.00 0.00 O ATOM 79 CB LEU A 7 -3.139 -10.474 -13.364 1.00 0.00 C ATOM 80 CG LEU A 7 -2.047 -10.620 -14.424 1.00 0.00 C ATOM 81 CD1 LEU A 7 -1.636 -9.254 -14.959 1.00 0.00 C ATOM 82 CD2 LEU A 7 -0.845 -11.357 -13.851 1.00 0.00 C ATOM 0 H LEU A 7 -3.039 -11.525 -11.102 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.767 -9.217 -12.290 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.477 -11.469 -13.072 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.993 -9.966 -13.812 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.445 -11.206 -15.253 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.858 -9.377 -15.712 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.500 -8.764 -15.407 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.255 -8.642 -14.141 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.077 -11.452 -14.619 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.445 -10.798 -13.005 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.151 -12.349 -13.519 1.00 0.00 H new ATOM 94 N THR A 8 -3.450 -7.401 -12.125 1.00 0.00 N ATOM 95 CA THR A 8 -4.333 -6.280 -11.833 1.00 0.00 C ATOM 96 C THR A 8 -5.369 -6.119 -12.931 1.00 0.00 C ATOM 97 O THR A 8 -6.528 -5.807 -12.656 1.00 0.00 O ATOM 98 CB THR A 8 -3.519 -4.988 -11.694 1.00 0.00 C ATOM 99 OG1 THR A 8 -3.171 -4.475 -12.970 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.237 -5.161 -10.903 1.00 0.00 C ATOM 0 H THR A 8 -2.594 -7.145 -12.618 1.00 0.00 H new ATOM 0 HA THR A 8 -4.846 -6.482 -10.893 1.00 0.00 H new ATOM 0 HB THR A 8 -4.167 -4.299 -11.152 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.654 -3.650 -12.861 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.713 -4.207 -10.846 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.474 -5.506 -9.897 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.601 -5.895 -11.398 1.00 0.00 H new ATOM 108 N ALA A 9 -4.970 -6.363 -14.171 1.00 0.00 N ATOM 109 CA ALA A 9 -5.902 -6.272 -15.279 1.00 0.00 C ATOM 110 C ALA A 9 -7.053 -7.248 -15.060 1.00 0.00 C ATOM 111 O ALA A 9 -8.198 -6.845 -14.844 1.00 0.00 O ATOM 112 CB ALA A 9 -5.194 -6.557 -16.597 1.00 0.00 C ATOM 0 H ALA A 9 -4.018 -6.622 -14.431 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.303 -5.260 -15.327 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.908 -6.484 -17.417 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.396 -5.830 -16.746 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.770 -7.561 -16.573 1.00 0.00 H new ATOM 118 N SER A 10 -6.742 -8.538 -15.151 1.00 0.00 N ATOM 119 CA SER A 10 -7.746 -9.586 -14.999 1.00 0.00 C ATOM 120 C SER A 10 -8.480 -9.489 -13.666 1.00 0.00 C ATOM 121 O SER A 10 -9.624 -9.938 -13.548 1.00 0.00 O ATOM 122 CB SER A 10 -7.084 -10.960 -15.119 1.00 0.00 C ATOM 123 OG SER A 10 -7.902 -11.860 -15.845 1.00 0.00 O ATOM 0 H SER A 10 -5.799 -8.883 -15.330 1.00 0.00 H new ATOM 0 HA SER A 10 -8.480 -9.452 -15.793 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.119 -10.860 -15.616 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.890 -11.362 -14.124 1.00 0.00 H new ATOM 0 HG SER A 10 -7.455 -12.730 -15.909 1.00 0.00 H new ATOM 129 N MET A 11 -7.845 -8.895 -12.661 1.00 0.00 N ATOM 130 CA MET A 11 -8.489 -8.764 -11.363 1.00 0.00 C ATOM 131 C MET A 11 -9.730 -7.887 -11.487 1.00 0.00 C ATOM 132 O MET A 11 -10.778 -8.185 -10.914 1.00 0.00 O ATOM 133 CB MET A 11 -7.503 -8.196 -10.334 1.00 0.00 C ATOM 134 CG MET A 11 -7.849 -6.814 -9.811 1.00 0.00 C ATOM 135 SD MET A 11 -9.107 -6.867 -8.522 1.00 0.00 S ATOM 136 CE MET A 11 -10.303 -5.693 -9.151 1.00 0.00 C ATOM 0 H MET A 11 -6.904 -8.505 -12.719 1.00 0.00 H new ATOM 0 HA MET A 11 -8.801 -9.748 -11.015 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.445 -8.884 -9.490 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.511 -8.160 -10.785 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.949 -6.341 -9.418 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.202 -6.194 -10.635 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.547 -4.969 -8.373 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.884 -5.173 -10.012 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.208 -6.221 -9.451 1.00 0.00 H new ATOM 146 N LEU A 12 -9.601 -6.815 -12.250 1.00 0.00 N ATOM 147 CA LEU A 12 -10.710 -5.899 -12.472 1.00 0.00 C ATOM 148 C LEU A 12 -11.901 -6.652 -13.044 1.00 0.00 C ATOM 149 O LEU A 12 -12.994 -6.638 -12.475 1.00 0.00 O ATOM 150 CB LEU A 12 -10.291 -4.767 -13.419 1.00 0.00 C ATOM 151 CG LEU A 12 -10.804 -3.375 -13.043 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.254 -3.208 -13.478 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.662 -3.135 -11.546 1.00 0.00 C ATOM 0 H LEU A 12 -8.738 -6.556 -12.728 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.996 -5.460 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.202 -4.736 -13.461 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.642 -5.007 -14.423 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.199 -2.633 -13.565 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.604 -2.213 -13.203 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.326 -3.333 -14.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.871 -3.959 -12.984 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.032 -2.140 -11.300 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.240 -3.882 -11.001 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.612 -3.211 -11.263 1.00 0.00 H new ATOM 165 N ALA A 13 -11.671 -7.333 -14.161 1.00 0.00 N ATOM 166 CA ALA A 13 -12.712 -8.125 -14.808 1.00 0.00 C ATOM 167 C ALA A 13 -13.043 -9.382 -13.995 1.00 0.00 C ATOM 168 O ALA A 13 -13.846 -10.213 -14.421 1.00 0.00 O ATOM 169 CB ALA A 13 -12.273 -8.509 -16.208 1.00 0.00 C ATOM 0 H ALA A 13 -10.770 -7.353 -14.639 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.615 -7.517 -14.866 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.055 -9.100 -16.685 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.092 -7.607 -16.793 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.356 -9.096 -16.154 1.00 0.00 H new ATOM 175 N SER A 14 -12.423 -9.509 -12.823 1.00 0.00 N ATOM 176 CA SER A 14 -12.653 -10.655 -11.950 1.00 0.00 C ATOM 177 C SER A 14 -13.627 -10.310 -10.818 1.00 0.00 C ATOM 178 O SER A 14 -13.882 -11.137 -9.942 1.00 0.00 O ATOM 179 CB SER A 14 -11.328 -11.149 -11.370 1.00 0.00 C ATOM 180 OG SER A 14 -10.786 -12.198 -12.156 1.00 0.00 O ATOM 0 H SER A 14 -11.756 -8.830 -12.457 1.00 0.00 H new ATOM 0 HA SER A 14 -13.102 -11.447 -12.549 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.618 -10.323 -11.321 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.482 -11.498 -10.349 1.00 0.00 H new ATOM 0 HG SER A 14 -10.231 -11.819 -12.869 1.00 0.00 H new ATOM 186 N ALA A 15 -14.185 -9.099 -10.851 1.00 0.00 N ATOM 187 CA ALA A 15 -15.142 -8.667 -9.840 1.00 0.00 C ATOM 188 C ALA A 15 -16.339 -7.974 -10.493 1.00 0.00 C ATOM 189 O ALA A 15 -16.202 -7.347 -11.542 1.00 0.00 O ATOM 190 CB ALA A 15 -14.474 -7.743 -8.838 1.00 0.00 C ATOM 0 H ALA A 15 -13.988 -8.402 -11.569 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.504 -9.548 -9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.202 -7.430 -8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.654 -8.269 -8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.085 -6.866 -9.355 1.00 0.00 H new ATOM 196 N PRO A 16 -17.535 -8.096 -9.887 1.00 0.00 N ATOM 197 CA PRO A 16 -18.765 -7.498 -10.410 1.00 0.00 C ATOM 198 C PRO A 16 -18.567 -6.069 -10.922 1.00 0.00 C ATOM 199 O PRO A 16 -17.478 -5.504 -10.817 1.00 0.00 O ATOM 200 CB PRO A 16 -19.730 -7.509 -9.217 1.00 0.00 C ATOM 201 CG PRO A 16 -19.031 -8.217 -8.096 1.00 0.00 C ATOM 202 CD PRO A 16 -17.784 -8.848 -8.655 1.00 0.00 C ATOM 0 HA PRO A 16 -19.132 -8.056 -11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.995 -6.493 -8.926 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.658 -8.019 -9.476 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.780 -7.516 -7.300 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.680 -8.976 -7.660 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.948 -8.766 -7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.928 -9.909 -8.856 1.00 0.00 H new ATOM 210 N PRO A 17 -19.629 -5.468 -11.493 1.00 0.00 N ATOM 211 CA PRO A 17 -19.575 -4.106 -12.036 1.00 0.00 C ATOM 212 C PRO A 17 -18.955 -3.101 -11.067 1.00 0.00 C ATOM 213 O PRO A 17 -17.821 -2.679 -11.259 1.00 0.00 O ATOM 214 CB PRO A 17 -21.042 -3.769 -12.311 1.00 0.00 C ATOM 215 CG PRO A 17 -21.698 -5.089 -12.531 1.00 0.00 C ATOM 216 CD PRO A 17 -20.966 -6.074 -11.658 1.00 0.00 C ATOM 0 HA PRO A 17 -18.942 -4.052 -12.922 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.491 -3.239 -11.471 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.144 -3.126 -13.185 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -22.755 -5.047 -12.268 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -21.642 -5.382 -13.580 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.466 -6.208 -10.699 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -20.906 -7.057 -12.126 1.00 0.00 H new ATOM 224 N GLN A 18 -19.705 -2.710 -10.041 1.00 0.00 N ATOM 225 CA GLN A 18 -19.216 -1.744 -9.060 1.00 0.00 C ATOM 226 C GLN A 18 -18.005 -2.269 -8.308 1.00 0.00 C ATOM 227 O GLN A 18 -17.290 -1.501 -7.663 1.00 0.00 O ATOM 228 CB GLN A 18 -20.328 -1.354 -8.078 1.00 0.00 C ATOM 229 CG GLN A 18 -21.124 -2.534 -7.540 1.00 0.00 C ATOM 230 CD GLN A 18 -20.751 -2.894 -6.116 1.00 0.00 C ATOM 231 OE1 GLN A 18 -19.609 -3.263 -5.837 1.00 0.00 O ATOM 232 NE2 GLN A 18 -21.713 -2.794 -5.207 1.00 0.00 N ATOM 0 H GLN A 18 -20.652 -3.046 -9.867 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.906 -0.854 -9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.885 -0.816 -7.240 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.011 -0.665 -8.574 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -22.187 -2.299 -7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.962 -3.399 -8.183 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.645 -2.484 -5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -21.520 -3.027 -4.233 1.00 0.00 H new ATOM 241 N GLU A 19 -17.754 -3.568 -8.403 1.00 0.00 N ATOM 242 CA GLU A 19 -16.602 -4.152 -7.737 1.00 0.00 C ATOM 243 C GLU A 19 -15.380 -4.093 -8.648 1.00 0.00 C ATOM 244 O GLU A 19 -14.547 -4.996 -8.655 1.00 0.00 O ATOM 245 CB GLU A 19 -16.890 -5.597 -7.318 1.00 0.00 C ATOM 246 CG GLU A 19 -17.710 -5.690 -6.041 1.00 0.00 C ATOM 247 CD GLU A 19 -17.555 -7.026 -5.337 1.00 0.00 C ATOM 248 OE1 GLU A 19 -16.676 -7.813 -5.742 1.00 0.00 O ATOM 249 OE2 GLU A 19 -18.324 -7.287 -4.387 1.00 0.00 O ATOM 0 H GLU A 19 -18.326 -4.229 -8.929 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.395 -3.573 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.422 -6.104 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.946 -6.124 -7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.410 -4.891 -5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.762 -5.529 -6.278 1.00 0.00 H new ATOM 256 N GLN A 20 -15.252 -2.985 -9.371 1.00 0.00 N ATOM 257 CA GLN A 20 -14.099 -2.769 -10.236 1.00 0.00 C ATOM 258 C GLN A 20 -12.850 -2.518 -9.391 1.00 0.00 C ATOM 259 O GLN A 20 -12.093 -3.433 -9.071 1.00 0.00 O ATOM 260 CB GLN A 20 -14.317 -1.608 -11.232 1.00 0.00 C ATOM 261 CG GLN A 20 -15.574 -0.781 -10.996 1.00 0.00 C ATOM 262 CD GLN A 20 -15.903 0.126 -12.166 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.007 0.080 -12.711 1.00 0.00 O ATOM 264 NE2 GLN A 20 -14.945 0.954 -12.562 1.00 0.00 N ATOM 0 H GLN A 20 -15.932 -2.224 -9.375 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.963 -3.674 -10.828 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.452 -0.946 -11.189 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.355 -2.018 -12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.415 -1.449 -10.811 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.444 -0.177 -10.098 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.045 0.959 -12.082 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.109 1.585 -13.346 1.00 0.00 H new ATOM 273 N LYS A 21 -12.661 -1.250 -9.038 1.00 0.00 N ATOM 274 CA LYS A 21 -11.524 -0.805 -8.230 1.00 0.00 C ATOM 275 C LYS A 21 -11.726 -1.098 -6.743 1.00 0.00 C ATOM 276 O LYS A 21 -11.050 -0.514 -5.897 1.00 0.00 O ATOM 277 CB LYS A 21 -11.293 0.691 -8.437 1.00 0.00 C ATOM 278 CG LYS A 21 -11.694 1.171 -9.822 1.00 0.00 C ATOM 279 CD LYS A 21 -10.504 1.695 -10.612 1.00 0.00 C ATOM 280 CE LYS A 21 -10.297 0.897 -11.891 1.00 0.00 C ATOM 281 NZ LYS A 21 -8.857 0.626 -12.154 1.00 0.00 N ATOM 0 H LYS A 21 -13.294 -0.496 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.648 -1.364 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.858 1.247 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.239 0.916 -8.272 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.159 0.351 -10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.443 1.958 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.661 2.745 -10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.605 1.642 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.836 -0.048 -11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.722 1.444 -12.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.762 0.080 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.346 1.527 -12.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.456 0.081 -11.364 1.00 0.00 H new ATOM 295 N GLN A 22 -12.653 -1.994 -6.421 1.00 0.00 N ATOM 296 CA GLN A 22 -12.917 -2.328 -5.020 1.00 0.00 C ATOM 297 C GLN A 22 -11.741 -3.049 -4.375 1.00 0.00 C ATOM 298 O GLN A 22 -11.250 -2.622 -3.332 1.00 0.00 O ATOM 299 CB GLN A 22 -14.193 -3.164 -4.881 1.00 0.00 C ATOM 300 CG GLN A 22 -14.162 -4.475 -5.650 1.00 0.00 C ATOM 301 CD GLN A 22 -14.103 -5.714 -4.766 1.00 0.00 C ATOM 302 OE1 GLN A 22 -14.536 -6.789 -5.177 1.00 0.00 O ATOM 303 NE2 GLN A 22 -13.563 -5.584 -3.558 1.00 0.00 N ATOM 0 H GLN A 22 -13.228 -2.497 -7.097 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.060 -1.385 -4.492 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.361 -3.378 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -15.041 -2.573 -5.226 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.049 -4.534 -6.281 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -13.297 -4.474 -6.314 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -13.214 -4.676 -3.250 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.498 -6.392 -2.939 1.00 0.00 H new ATOM 312 N MET A 23 -11.279 -4.138 -4.986 1.00 0.00 N ATOM 313 CA MET A 23 -10.158 -4.880 -4.434 1.00 0.00 C ATOM 314 C MET A 23 -8.926 -3.982 -4.348 1.00 0.00 C ATOM 315 O MET A 23 -8.744 -3.280 -3.358 1.00 0.00 O ATOM 316 CB MET A 23 -9.871 -6.130 -5.276 1.00 0.00 C ATOM 317 CG MET A 23 -11.104 -6.976 -5.561 1.00 0.00 C ATOM 318 SD MET A 23 -11.076 -8.568 -4.717 1.00 0.00 S ATOM 319 CE MET A 23 -11.649 -8.101 -3.086 1.00 0.00 C ATOM 0 H MET A 23 -11.660 -4.519 -5.852 1.00 0.00 H new ATOM 0 HA MET A 23 -10.415 -5.208 -3.427 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.425 -5.824 -6.222 1.00 0.00 H new ATOM 0 HB3 MET A 23 -9.133 -6.743 -4.759 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.994 -6.425 -5.257 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.184 -7.142 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.130 -8.695 -2.334 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.444 -7.044 -2.917 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.722 -8.279 -3.012 1.00 0.00 H new ATOM 329 N LEU A 24 -8.088 -4.000 -5.382 1.00 0.00 N ATOM 330 CA LEU A 24 -6.876 -3.178 -5.408 1.00 0.00 C ATOM 331 C LEU A 24 -7.178 -1.683 -5.385 1.00 0.00 C ATOM 332 O LEU A 24 -6.754 -0.957 -6.285 1.00 0.00 O ATOM 333 CB LEU A 24 -6.017 -3.478 -6.646 1.00 0.00 C ATOM 334 CG LEU A 24 -6.629 -4.362 -7.732 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.788 -3.654 -8.421 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.551 -4.744 -8.742 1.00 0.00 C ATOM 0 H LEU A 24 -8.224 -4.574 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.329 -3.440 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.741 -2.527 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.094 -3.950 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.024 -5.267 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.206 -4.304 -9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.558 -3.418 -7.687 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.430 -2.733 -8.880 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.986 -5.375 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.141 -3.842 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.755 -5.289 -8.235 1.00 0.00 H new ATOM 348 N GLY A 25 -7.891 -1.206 -4.367 1.00 0.00 N ATOM 349 CA GLY A 25 -8.198 0.208 -4.298 1.00 0.00 C ATOM 350 C GLY A 25 -8.338 0.836 -5.675 1.00 0.00 C ATOM 351 O GLY A 25 -8.856 0.209 -6.600 1.00 0.00 O ATOM 0 H GLY A 25 -8.257 -1.768 -3.598 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.124 0.350 -3.741 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.412 0.722 -3.745 1.00 0.00 H new ATOM 355 N GLU A 26 -7.852 2.056 -5.823 1.00 0.00 N ATOM 356 CA GLU A 26 -7.904 2.737 -7.109 1.00 0.00 C ATOM 357 C GLU A 26 -6.875 2.136 -8.059 1.00 0.00 C ATOM 358 O GLU A 26 -7.185 1.259 -8.865 1.00 0.00 O ATOM 359 CB GLU A 26 -7.678 4.253 -6.963 1.00 0.00 C ATOM 360 CG GLU A 26 -7.340 4.705 -5.552 1.00 0.00 C ATOM 361 CD GLU A 26 -8.549 4.713 -4.636 1.00 0.00 C ATOM 362 OE1 GLU A 26 -8.971 3.624 -4.199 1.00 0.00 O ATOM 363 OE2 GLU A 26 -9.072 5.812 -4.356 1.00 0.00 O ATOM 0 H GLU A 26 -7.418 2.595 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.903 2.594 -7.522 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.871 4.553 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.576 4.775 -7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.578 4.046 -5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.910 5.706 -5.588 1.00 0.00 H new ATOM 370 N ARG A 27 -5.652 2.642 -7.961 1.00 0.00 N ATOM 371 CA ARG A 27 -4.557 2.193 -8.812 1.00 0.00 C ATOM 372 C ARG A 27 -3.249 2.086 -8.039 1.00 0.00 C ATOM 373 O ARG A 27 -2.184 1.945 -8.638 1.00 0.00 O ATOM 374 CB ARG A 27 -4.368 3.172 -9.970 1.00 0.00 C ATOM 375 CG ARG A 27 -4.110 2.500 -11.307 1.00 0.00 C ATOM 376 CD ARG A 27 -5.403 2.183 -12.044 1.00 0.00 C ATOM 377 NE ARG A 27 -5.552 2.994 -13.252 1.00 0.00 N ATOM 378 CZ ARG A 27 -5.359 2.545 -14.496 1.00 0.00 C ATOM 379 NH1 ARG A 27 -5.009 1.285 -14.720 1.00 0.00 N ATOM 380 NH2 ARG A 27 -5.521 3.369 -15.523 1.00 0.00 N ATOM 0 H ARG A 27 -5.392 3.370 -7.295 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.817 1.204 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.257 3.797 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.534 3.835 -9.740 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.490 3.149 -11.925 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.548 1.580 -11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.420 1.126 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.251 2.358 -11.382 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.822 3.971 -13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.883 0.644 -13.937 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.865 0.958 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.791 4.339 -15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.375 3.032 -16.475 1.00 0.00 H new ATOM 394 N LEU A 28 -3.314 2.169 -6.718 1.00 0.00 N ATOM 395 CA LEU A 28 -2.110 2.098 -5.906 1.00 0.00 C ATOM 396 C LEU A 28 -1.554 0.687 -5.821 1.00 0.00 C ATOM 397 O LEU A 28 -0.352 0.481 -5.986 1.00 0.00 O ATOM 398 CB LEU A 28 -2.394 2.619 -4.513 1.00 0.00 C ATOM 399 CG LEU A 28 -1.986 4.057 -4.289 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.828 4.658 -3.178 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.495 4.130 -3.984 1.00 0.00 C ATOM 0 H LEU A 28 -4.179 2.284 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.357 2.720 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.461 2.521 -4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.875 1.990 -3.790 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.163 4.642 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.532 5.695 -3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.881 4.620 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.676 4.091 -2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.207 5.169 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.278 3.551 -3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.068 3.723 -4.824 1.00 0.00 H new ATOM 413 N PHE A 29 -2.428 -0.280 -5.571 1.00 0.00 N ATOM 414 CA PHE A 29 -2.013 -1.676 -5.465 1.00 0.00 C ATOM 415 C PHE A 29 -1.102 -2.062 -6.626 1.00 0.00 C ATOM 416 O PHE A 29 -0.032 -2.618 -6.416 1.00 0.00 O ATOM 417 CB PHE A 29 -3.240 -2.588 -5.435 1.00 0.00 C ATOM 418 CG PHE A 29 -3.087 -3.850 -4.612 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.283 -3.899 -3.480 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.777 -5.001 -4.974 1.00 0.00 C ATOM 421 CE1 PHE A 29 -2.181 -5.073 -2.744 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.677 -6.161 -4.238 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.879 -6.197 -3.123 1.00 0.00 C ATOM 0 H PHE A 29 -3.427 -0.125 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.455 -1.797 -4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.085 -2.020 -5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.489 -2.869 -6.458 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.735 -3.021 -3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.406 -4.985 -5.852 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.550 -5.104 -1.868 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.226 -7.041 -4.538 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.799 -7.105 -2.544 1.00 0.00 H new ATOM 433 N PRO A 30 -1.506 -1.760 -7.871 1.00 0.00 N ATOM 434 CA PRO A 30 -0.701 -2.082 -9.051 1.00 0.00 C ATOM 435 C PRO A 30 0.685 -1.450 -8.992 1.00 0.00 C ATOM 436 O PRO A 30 1.687 -2.091 -9.308 1.00 0.00 O ATOM 437 CB PRO A 30 -1.495 -1.491 -10.220 1.00 0.00 C ATOM 438 CG PRO A 30 -2.877 -1.274 -9.705 1.00 0.00 C ATOM 439 CD PRO A 30 -2.760 -1.075 -8.220 1.00 0.00 C ATOM 0 HA PRO A 30 -0.534 -3.156 -9.137 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.053 -0.554 -10.559 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.498 -2.169 -11.073 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.333 -0.404 -10.177 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.513 -2.130 -9.932 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.724 -0.017 -7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.611 -1.504 -7.691 1.00 0.00 H new ATOM 447 N LEU A 31 0.726 -0.181 -8.605 1.00 0.00 N ATOM 448 CA LEU A 31 1.987 0.555 -8.523 1.00 0.00 C ATOM 449 C LEU A 31 2.833 0.073 -7.341 1.00 0.00 C ATOM 450 O LEU A 31 4.027 -0.240 -7.476 1.00 0.00 O ATOM 451 CB LEU A 31 1.729 2.062 -8.404 1.00 0.00 C ATOM 452 CG LEU A 31 0.465 2.587 -9.107 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.186 4.033 -8.732 1.00 0.00 C ATOM 454 CD2 LEU A 31 0.589 2.444 -10.615 1.00 0.00 C ATOM 0 H LEU A 31 -0.097 0.362 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 31 2.541 0.364 -9.442 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.665 2.317 -7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.592 2.591 -8.808 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.377 1.983 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.713 4.375 -9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.040 4.108 -7.654 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.031 4.655 -9.028 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.316 2.821 -11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.449 3.015 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.723 1.393 -10.871 1.00 0.00 H new ATOM 466 N ILE A 32 2.205 -0.013 -6.182 1.00 0.00 N ATOM 467 CA ILE A 32 2.906 -0.474 -5.002 1.00 0.00 C ATOM 468 C ILE A 32 3.267 -1.941 -5.156 1.00 0.00 C ATOM 469 O ILE A 32 4.384 -2.338 -4.847 1.00 0.00 O ATOM 470 CB ILE A 32 2.096 -0.259 -3.718 1.00 0.00 C ATOM 471 CG1 ILE A 32 3.011 -0.488 -2.505 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.876 -1.170 -3.705 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.214 -1.939 -2.138 1.00 0.00 C ATOM 0 H ILE A 32 1.225 0.227 -6.035 1.00 0.00 H new ATOM 0 HA ILE A 32 3.815 0.121 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 32 1.724 0.765 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.983 -0.039 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.592 0.036 -1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.310 -1.007 -2.788 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.245 -0.946 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.198 -2.210 -3.753 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.872 -2.007 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.252 -2.392 -1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.664 -2.467 -2.978 1.00 0.00 H new ATOM 485 N GLN A 33 2.327 -2.744 -5.667 1.00 0.00 N ATOM 486 CA GLN A 33 2.587 -4.165 -5.888 1.00 0.00 C ATOM 487 C GLN A 33 3.972 -4.336 -6.514 1.00 0.00 C ATOM 488 O GLN A 33 4.744 -5.217 -6.133 1.00 0.00 O ATOM 489 CB GLN A 33 1.536 -4.788 -6.811 1.00 0.00 C ATOM 490 CG GLN A 33 1.606 -6.306 -6.882 1.00 0.00 C ATOM 491 CD GLN A 33 0.260 -6.935 -7.181 1.00 0.00 C ATOM 492 OE1 GLN A 33 -0.256 -6.825 -8.294 1.00 0.00 O ATOM 493 NE2 GLN A 33 -0.318 -7.598 -6.187 1.00 0.00 N ATOM 0 H GLN A 33 1.391 -2.436 -5.932 1.00 0.00 H new ATOM 0 HA GLN A 33 2.541 -4.673 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.544 -4.495 -6.467 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.659 -4.380 -7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.319 -6.598 -7.653 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.983 -6.694 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.145 -7.664 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.225 -8.041 -6.329 1.00 0.00 H new ATOM 502 N ALA A 34 4.264 -3.467 -7.485 1.00 0.00 N ATOM 503 CA ALA A 34 5.541 -3.486 -8.196 1.00 0.00 C ATOM 504 C ALA A 34 6.713 -3.340 -7.241 1.00 0.00 C ATOM 505 O ALA A 34 7.784 -3.906 -7.460 1.00 0.00 O ATOM 506 CB ALA A 34 5.584 -2.384 -9.243 1.00 0.00 C ATOM 0 H ALA A 34 3.625 -2.736 -7.798 1.00 0.00 H new ATOM 0 HA ALA A 34 5.627 -4.453 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.542 -2.413 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.777 -2.532 -9.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.464 -1.416 -8.757 1.00 0.00 H new ATOM 512 N MET A 35 6.500 -2.569 -6.193 1.00 0.00 N ATOM 513 CA MET A 35 7.550 -2.336 -5.196 1.00 0.00 C ATOM 514 C MET A 35 7.368 -3.243 -3.980 1.00 0.00 C ATOM 515 O MET A 35 8.298 -3.933 -3.561 1.00 0.00 O ATOM 516 CB MET A 35 7.552 -0.873 -4.744 1.00 0.00 C ATOM 517 CG MET A 35 7.308 0.124 -5.866 1.00 0.00 C ATOM 518 SD MET A 35 8.838 0.771 -6.569 1.00 0.00 S ATOM 519 CE MET A 35 9.333 -0.596 -7.613 1.00 0.00 C ATOM 0 H MET A 35 5.619 -2.092 -6.002 1.00 0.00 H new ATOM 0 HA MET A 35 8.505 -2.568 -5.667 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.786 -0.739 -3.980 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.511 -0.650 -4.276 1.00 0.00 H new ATOM 0 HG2 MET A 35 6.726 -0.356 -6.653 1.00 0.00 H new ATOM 0 HG3 MET A 35 6.709 0.952 -5.487 1.00 0.00 H new ATOM 0 HE1 MET A 35 9.935 -0.222 -8.441 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.919 -1.306 -7.029 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.446 -1.094 -8.005 1.00 0.00 H new ATOM 529 N HIS A 36 6.164 -3.244 -3.428 1.00 0.00 N ATOM 530 CA HIS A 36 5.838 -4.073 -2.272 1.00 0.00 C ATOM 531 C HIS A 36 6.766 -3.807 -1.089 1.00 0.00 C ATOM 532 O HIS A 36 7.320 -4.739 -0.504 1.00 0.00 O ATOM 533 CB HIS A 36 5.889 -5.558 -2.643 1.00 0.00 C ATOM 534 CG HIS A 36 4.559 -6.107 -3.054 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.353 -5.509 -3.130 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.360 -7.415 -3.444 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.450 -6.453 -3.557 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.083 -7.595 -3.742 1.00 0.00 N flip ATOM 0 H HIS A 36 5.388 -2.674 -3.765 1.00 0.00 H new ATOM 0 HA HIS A 36 4.826 -3.807 -1.968 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.600 -5.699 -3.457 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.262 -6.126 -1.791 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.127 -8.174 -3.498 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.395 -6.287 -3.715 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.661 -8.467 -4.060 1.00 0.00 H new ATOM 546 N PRO A 37 6.940 -2.537 -0.690 1.00 0.00 N ATOM 547 CA PRO A 37 7.783 -2.210 0.448 1.00 0.00 C ATOM 548 C PRO A 37 7.214 -2.812 1.726 1.00 0.00 C ATOM 549 O PRO A 37 7.758 -3.777 2.263 1.00 0.00 O ATOM 550 CB PRO A 37 7.769 -0.678 0.505 1.00 0.00 C ATOM 551 CG PRO A 37 6.577 -0.257 -0.285 1.00 0.00 C ATOM 552 CD PRO A 37 6.315 -1.347 -1.288 1.00 0.00 C ATOM 0 HA PRO A 37 8.793 -2.608 0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.702 -0.325 1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.685 -0.262 0.085 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.714 -0.113 0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.761 0.694 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.247 -1.494 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.753 -1.111 -2.258 1.00 0.00 H new ATOM 560 N THR A 38 6.131 -2.226 2.223 1.00 0.00 N ATOM 561 CA THR A 38 5.507 -2.697 3.455 1.00 0.00 C ATOM 562 C THR A 38 4.323 -3.620 3.175 1.00 0.00 C ATOM 563 O THR A 38 4.321 -4.778 3.593 1.00 0.00 O ATOM 564 CB THR A 38 5.060 -1.510 4.312 1.00 0.00 C ATOM 565 OG1 THR A 38 3.920 -0.881 3.752 1.00 0.00 O ATOM 566 CG2 THR A 38 6.131 -0.453 4.472 1.00 0.00 C ATOM 0 H THR A 38 5.667 -1.426 1.793 1.00 0.00 H new ATOM 0 HA THR A 38 6.254 -3.273 4.001 1.00 0.00 H new ATOM 0 HB THR A 38 4.835 -1.933 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.139 -1.054 4.318 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.750 0.360 5.090 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.007 -0.892 4.950 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.408 -0.065 3.492 1.00 0.00 H new ATOM 574 N LEU A 39 3.314 -3.107 2.475 1.00 0.00 N ATOM 575 CA LEU A 39 2.127 -3.901 2.159 1.00 0.00 C ATOM 576 C LEU A 39 1.259 -3.210 1.108 1.00 0.00 C ATOM 577 O LEU A 39 0.605 -2.214 1.397 1.00 0.00 O ATOM 578 CB LEU A 39 1.308 -4.144 3.432 1.00 0.00 C ATOM 579 CG LEU A 39 1.435 -5.544 4.034 1.00 0.00 C ATOM 580 CD1 LEU A 39 0.505 -5.703 5.231 1.00 0.00 C ATOM 581 CD2 LEU A 39 1.142 -6.605 2.982 1.00 0.00 C ATOM 0 H LEU A 39 3.293 -2.152 2.117 1.00 0.00 H new ATOM 0 HA LEU A 39 2.459 -4.855 1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.610 -3.415 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.258 -3.956 3.210 1.00 0.00 H new ATOM 0 HG LEU A 39 2.460 -5.676 4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.612 -6.706 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.764 -4.968 5.993 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.526 -5.549 4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.237 -7.595 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.128 -6.473 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.851 -6.508 2.160 1.00 0.00 H new ATOM 593 N ALA A 40 1.244 -3.752 -0.107 1.00 0.00 N ATOM 594 CA ALA A 40 0.449 -3.195 -1.206 1.00 0.00 C ATOM 595 C ALA A 40 -1.007 -2.944 -0.814 1.00 0.00 C ATOM 596 O ALA A 40 -1.538 -1.861 -1.060 1.00 0.00 O ATOM 597 CB ALA A 40 0.549 -4.112 -2.419 1.00 0.00 C ATOM 0 H ALA A 40 1.777 -4.584 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 40 0.861 -2.218 -1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.042 -3.699 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.591 -4.193 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.169 -5.100 -2.160 1.00 0.00 H new ATOM 603 N GLY A 41 -1.652 -3.937 -0.219 1.00 0.00 N ATOM 604 CA GLY A 41 -3.044 -3.782 0.170 1.00 0.00 C ATOM 605 C GLY A 41 -3.270 -2.590 1.080 1.00 0.00 C ATOM 606 O GLY A 41 -4.059 -1.699 0.769 1.00 0.00 O ATOM 0 H GLY A 41 -1.241 -4.844 0.002 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.657 -3.672 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.378 -4.688 0.675 1.00 0.00 H new ATOM 610 N LYS A 42 -2.591 -2.594 2.219 1.00 0.00 N ATOM 611 CA LYS A 42 -2.732 -1.522 3.198 1.00 0.00 C ATOM 612 C LYS A 42 -2.098 -0.212 2.718 1.00 0.00 C ATOM 613 O LYS A 42 -2.643 0.866 2.946 1.00 0.00 O ATOM 614 CB LYS A 42 -2.125 -1.956 4.535 1.00 0.00 C ATOM 615 CG LYS A 42 -3.061 -2.820 5.363 1.00 0.00 C ATOM 616 CD LYS A 42 -2.590 -2.932 6.805 1.00 0.00 C ATOM 617 CE LYS A 42 -3.234 -1.870 7.683 1.00 0.00 C ATOM 618 NZ LYS A 42 -4.646 -2.201 8.022 1.00 0.00 N ATOM 0 H LYS A 42 -1.936 -3.328 2.489 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.797 -1.330 3.329 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.203 -2.507 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.855 -1.070 5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.065 -2.396 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.125 -3.815 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.831 -3.922 7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.505 -2.830 6.844 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.657 -1.762 8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.201 -0.908 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.285 -1.546 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.854 -3.177 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.787 -2.111 9.049 1.00 0.00 H new ATOM 632 N ILE A 43 -0.951 -0.306 2.053 1.00 0.00 N ATOM 633 CA ILE A 43 -0.258 0.882 1.547 1.00 0.00 C ATOM 634 C ILE A 43 -1.171 1.756 0.699 1.00 0.00 C ATOM 635 O ILE A 43 -1.100 2.984 0.739 1.00 0.00 O ATOM 636 CB ILE A 43 0.981 0.487 0.704 1.00 0.00 C ATOM 637 CG1 ILE A 43 2.066 1.551 0.796 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.631 0.231 -0.762 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.426 0.959 1.063 1.00 0.00 C ATOM 0 H ILE A 43 -0.480 -1.188 1.850 1.00 0.00 H new ATOM 0 HA ILE A 43 0.058 1.450 2.422 1.00 0.00 H new ATOM 0 HB ILE A 43 1.356 -0.446 1.125 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.095 2.118 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.816 2.254 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.533 -0.042 -1.309 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.093 -0.582 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.203 1.134 -1.197 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.166 1.758 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.407 0.414 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.691 0.276 0.255 1.00 0.00 H new ATOM 651 N THR A 44 -1.998 1.099 -0.092 1.00 0.00 N ATOM 652 CA THR A 44 -2.904 1.779 -1.000 1.00 0.00 C ATOM 653 C THR A 44 -3.891 2.664 -0.250 1.00 0.00 C ATOM 654 O THR A 44 -4.113 3.812 -0.630 1.00 0.00 O ATOM 655 CB THR A 44 -3.635 0.737 -1.860 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.773 0.222 -2.856 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.877 1.250 -2.566 1.00 0.00 C ATOM 0 H THR A 44 -2.061 0.081 -0.124 1.00 0.00 H new ATOM 0 HA THR A 44 -2.324 2.436 -1.648 1.00 0.00 H new ATOM 0 HB THR A 44 -3.948 -0.026 -1.147 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.228 -0.498 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.324 0.444 -3.148 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.595 1.605 -1.827 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.605 2.070 -3.231 1.00 0.00 H new ATOM 665 N GLY A 45 -4.468 2.138 0.820 1.00 0.00 N ATOM 666 CA GLY A 45 -5.410 2.916 1.592 1.00 0.00 C ATOM 667 C GLY A 45 -4.806 4.213 2.083 1.00 0.00 C ATOM 668 O GLY A 45 -5.497 5.224 2.217 1.00 0.00 O ATOM 0 H GLY A 45 -4.301 1.193 1.165 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.287 3.133 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.752 2.329 2.445 1.00 0.00 H new ATOM 672 N MET A 46 -3.509 4.177 2.346 1.00 0.00 N ATOM 673 CA MET A 46 -2.789 5.344 2.824 1.00 0.00 C ATOM 674 C MET A 46 -2.640 6.368 1.713 1.00 0.00 C ATOM 675 O MET A 46 -3.134 7.492 1.822 1.00 0.00 O ATOM 676 CB MET A 46 -1.413 4.935 3.350 1.00 0.00 C ATOM 677 CG MET A 46 -1.447 4.282 4.724 1.00 0.00 C ATOM 678 SD MET A 46 -2.691 2.986 4.871 1.00 0.00 S ATOM 679 CE MET A 46 -1.680 1.592 5.359 1.00 0.00 C ATOM 0 H MET A 46 -2.931 3.344 2.235 1.00 0.00 H new ATOM 0 HA MET A 46 -3.359 5.794 3.637 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.955 4.245 2.642 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.775 5.817 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.466 3.860 4.942 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.639 5.047 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.308 0.708 5.471 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.925 1.405 4.596 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.190 1.812 6.308 1.00 0.00 H new ATOM 689 N LEU A 47 -1.943 5.985 0.648 1.00 0.00 N ATOM 690 CA LEU A 47 -1.721 6.894 -0.466 1.00 0.00 C ATOM 691 C LEU A 47 -3.044 7.367 -1.043 1.00 0.00 C ATOM 692 O LEU A 47 -3.091 8.392 -1.722 1.00 0.00 O ATOM 693 CB LEU A 47 -0.888 6.232 -1.567 1.00 0.00 C ATOM 694 CG LEU A 47 0.557 5.852 -1.224 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.537 6.732 -1.987 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.821 5.924 0.272 1.00 0.00 C ATOM 0 H LEU A 47 -1.527 5.061 0.535 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.169 7.752 -0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.408 5.328 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.865 6.906 -2.424 1.00 0.00 H new ATOM 0 HG LEU A 47 0.705 4.817 -1.531 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.557 6.447 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.383 6.604 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.373 7.776 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.856 5.647 0.473 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.642 6.940 0.625 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.154 5.237 0.793 1.00 0.00 H new ATOM 708 N LEU A 48 -4.119 6.612 -0.797 1.00 0.00 N ATOM 709 CA LEU A 48 -5.445 6.958 -1.317 1.00 0.00 C ATOM 710 C LEU A 48 -5.911 8.350 -0.849 1.00 0.00 C ATOM 711 O LEU A 48 -7.108 8.637 -0.839 1.00 0.00 O ATOM 712 CB LEU A 48 -6.461 5.886 -0.888 1.00 0.00 C ATOM 713 CG LEU A 48 -7.196 5.177 -2.035 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.245 4.278 -2.811 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.376 4.360 -1.511 1.00 0.00 C ATOM 0 H LEU A 48 -4.097 5.757 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.377 6.992 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.941 5.135 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.202 6.351 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.580 5.946 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.787 3.786 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.437 4.878 -3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.829 3.525 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.878 3.869 -2.345 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.015 3.607 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.079 5.020 -1.003 1.00 0.00 H new ATOM 727 N GLU A 49 -4.963 9.207 -0.481 1.00 0.00 N ATOM 728 CA GLU A 49 -5.258 10.555 -0.037 1.00 0.00 C ATOM 729 C GLU A 49 -5.640 11.443 -1.220 1.00 0.00 C ATOM 730 O GLU A 49 -6.128 12.559 -1.038 1.00 0.00 O ATOM 731 CB GLU A 49 -4.028 11.125 0.672 1.00 0.00 C ATOM 732 CG GLU A 49 -4.323 12.316 1.559 1.00 0.00 C ATOM 733 CD GLU A 49 -3.292 13.421 1.413 1.00 0.00 C ATOM 734 OE1 GLU A 49 -2.124 13.199 1.799 1.00 0.00 O ATOM 735 OE2 GLU A 49 -3.650 14.507 0.911 1.00 0.00 O ATOM 0 H GLU A 49 -3.968 8.981 -0.484 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.103 10.528 0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.573 10.340 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.292 11.417 -0.078 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.310 12.710 1.316 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.357 11.991 2.599 1.00 0.00 H new ATOM 742 N ILE A 50 -5.409 10.942 -2.435 1.00 0.00 N ATOM 743 CA ILE A 50 -5.720 11.690 -3.647 1.00 0.00 C ATOM 744 C ILE A 50 -6.929 11.088 -4.384 1.00 0.00 C ATOM 745 O ILE A 50 -7.392 9.999 -4.047 1.00 0.00 O ATOM 746 CB ILE A 50 -4.491 11.758 -4.580 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.466 13.097 -5.325 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.471 10.584 -5.547 1.00 0.00 C ATOM 749 CD1 ILE A 50 -3.225 13.920 -5.052 1.00 0.00 C ATOM 0 H ILE A 50 -5.007 10.020 -2.602 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.983 12.705 -3.350 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.590 11.690 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.538 12.909 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.345 13.676 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.595 10.658 -6.191 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.430 9.651 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.373 10.601 -6.158 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.277 14.853 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.161 14.140 -3.986 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.342 13.360 -5.360 1.00 0.00 H new ATOM 761 N ASP A 51 -7.417 11.800 -5.401 1.00 0.00 N ATOM 762 CA ASP A 51 -8.553 11.345 -6.210 1.00 0.00 C ATOM 763 C ASP A 51 -8.161 10.225 -7.173 1.00 0.00 C ATOM 764 O ASP A 51 -7.028 10.185 -7.653 1.00 0.00 O ATOM 765 CB ASP A 51 -9.135 12.518 -6.994 1.00 0.00 C ATOM 766 CG ASP A 51 -9.389 13.728 -6.116 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.457 13.781 -5.472 1.00 0.00 O ATOM 768 OD2 ASP A 51 -8.517 14.621 -6.071 1.00 0.00 O ATOM 0 H ASP A 51 -7.040 12.703 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.302 10.946 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.450 12.792 -7.796 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.069 12.210 -7.464 1.00 0.00 H new ATOM 773 N ASN A 52 -9.106 9.331 -7.482 1.00 0.00 N ATOM 774 CA ASN A 52 -8.842 8.240 -8.422 1.00 0.00 C ATOM 775 C ASN A 52 -8.194 8.770 -9.701 1.00 0.00 C ATOM 776 O ASN A 52 -7.498 8.039 -10.402 1.00 0.00 O ATOM 777 CB ASN A 52 -10.137 7.502 -8.788 1.00 0.00 C ATOM 778 CG ASN A 52 -9.868 6.175 -9.487 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.853 5.276 -9.475 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.787 5.959 -10.035 1.00 0.00 N flip ATOM 0 H ASN A 52 -10.051 9.341 -7.099 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.160 7.546 -7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.718 7.323 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.743 8.135 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.058 6.672 -10.023 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.621 5.067 -10.501 1.00 0.00 H new ATOM 787 N SER A 53 -8.448 10.039 -10.010 1.00 0.00 N ATOM 788 CA SER A 53 -7.914 10.661 -11.220 1.00 0.00 C ATOM 789 C SER A 53 -6.398 10.811 -11.174 1.00 0.00 C ATOM 790 O SER A 53 -5.728 10.760 -12.208 1.00 0.00 O ATOM 791 CB SER A 53 -8.570 12.027 -11.446 1.00 0.00 C ATOM 792 OG SER A 53 -9.319 12.044 -12.653 1.00 0.00 O ATOM 0 H SER A 53 -9.022 10.659 -9.438 1.00 0.00 H new ATOM 0 HA SER A 53 -8.150 9.999 -12.053 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.223 12.263 -10.606 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.803 12.801 -11.480 1.00 0.00 H new ATOM 0 HG SER A 53 -9.728 12.927 -12.772 1.00 0.00 H new ATOM 798 N GLU A 54 -5.851 11.001 -9.984 1.00 0.00 N ATOM 799 CA GLU A 54 -4.413 11.165 -9.840 1.00 0.00 C ATOM 800 C GLU A 54 -3.694 9.835 -9.985 1.00 0.00 C ATOM 801 O GLU A 54 -2.630 9.757 -10.602 1.00 0.00 O ATOM 802 CB GLU A 54 -4.082 11.796 -8.492 1.00 0.00 C ATOM 803 CG GLU A 54 -3.198 13.025 -8.609 1.00 0.00 C ATOM 804 CD GLU A 54 -1.886 12.728 -9.307 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.277 11.680 -9.004 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.469 13.540 -10.158 1.00 0.00 O ATOM 0 H GLU A 54 -6.376 11.045 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.069 11.827 -10.635 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -5.009 12.070 -7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.585 11.057 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.731 13.802 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.996 13.420 -7.613 1.00 0.00 H new ATOM 813 N LEU A 55 -4.272 8.789 -9.415 1.00 0.00 N ATOM 814 CA LEU A 55 -3.673 7.469 -9.485 1.00 0.00 C ATOM 815 C LEU A 55 -3.541 7.010 -10.931 1.00 0.00 C ATOM 816 O LEU A 55 -2.612 6.278 -11.276 1.00 0.00 O ATOM 817 CB LEU A 55 -4.484 6.478 -8.660 1.00 0.00 C ATOM 818 CG LEU A 55 -4.563 6.831 -7.173 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.947 7.340 -6.818 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.185 5.634 -6.316 1.00 0.00 C ATOM 0 H LEU A 55 -5.152 8.830 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.669 7.519 -9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.494 6.424 -9.065 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.044 5.486 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.848 7.628 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.983 7.586 -5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.168 8.232 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.686 6.569 -7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.248 5.906 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.869 4.810 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.166 5.325 -6.551 1.00 0.00 H new ATOM 832 N LEU A 56 -4.456 7.468 -11.782 1.00 0.00 N ATOM 833 CA LEU A 56 -4.411 7.127 -13.194 1.00 0.00 C ATOM 834 C LEU A 56 -3.195 7.782 -13.837 1.00 0.00 C ATOM 835 O LEU A 56 -2.525 7.192 -14.683 1.00 0.00 O ATOM 836 CB LEU A 56 -5.684 7.595 -13.901 1.00 0.00 C ATOM 837 CG LEU A 56 -6.995 7.188 -13.230 1.00 0.00 C ATOM 838 CD1 LEU A 56 -8.084 8.205 -13.525 1.00 0.00 C ATOM 839 CD2 LEU A 56 -7.428 5.803 -13.681 1.00 0.00 C ATOM 0 H LEU A 56 -5.233 8.073 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.338 6.044 -13.291 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.657 8.682 -13.978 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.679 7.203 -14.918 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.828 7.160 -12.153 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.010 7.898 -13.039 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.782 9.182 -13.147 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.243 8.266 -14.602 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.364 5.536 -13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.572 5.801 -14.761 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.659 5.077 -13.416 1.00 0.00 H new ATOM 851 N HIS A 57 -2.928 9.015 -13.416 1.00 0.00 N ATOM 852 CA HIS A 57 -1.799 9.781 -13.932 1.00 0.00 C ATOM 853 C HIS A 57 -0.469 9.099 -13.607 1.00 0.00 C ATOM 854 O HIS A 57 0.383 8.936 -14.479 1.00 0.00 O ATOM 855 CB HIS A 57 -1.810 11.196 -13.344 1.00 0.00 C ATOM 856 CG HIS A 57 -2.203 12.259 -14.323 1.00 0.00 C ATOM 857 ND1 HIS A 57 -1.686 12.343 -15.598 1.00 0.00 N ATOM 858 CD2 HIS A 57 -3.064 13.298 -14.201 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.208 13.389 -16.218 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.048 13.982 -15.390 1.00 0.00 N ATOM 0 H HIS A 57 -3.482 9.507 -12.715 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.900 9.835 -15.016 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.498 11.222 -12.499 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.818 11.424 -12.954 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.653 13.542 -13.330 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.985 13.703 -17.227 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.597 14.815 -15.601 1.00 0.00 H new ATOM 868 N MET A 58 -0.297 8.706 -12.346 1.00 0.00 N ATOM 869 CA MET A 58 0.936 8.049 -11.918 1.00 0.00 C ATOM 870 C MET A 58 1.133 6.720 -12.638 1.00 0.00 C ATOM 871 O MET A 58 2.256 6.357 -12.993 1.00 0.00 O ATOM 872 CB MET A 58 0.947 7.830 -10.401 1.00 0.00 C ATOM 873 CG MET A 58 -0.308 7.172 -9.847 1.00 0.00 C ATOM 874 SD MET A 58 -0.409 7.281 -8.045 1.00 0.00 S ATOM 875 CE MET A 58 1.301 7.034 -7.575 1.00 0.00 C ATOM 0 H MET A 58 -0.990 8.830 -11.608 1.00 0.00 H new ATOM 0 HA MET A 58 1.763 8.709 -12.180 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.809 7.215 -10.142 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.084 8.793 -9.909 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.186 7.645 -10.286 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.327 6.124 -10.146 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.349 6.707 -6.536 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.748 6.275 -8.216 1.00 0.00 H new ATOM 0 HE3 MET A 58 1.848 7.970 -7.686 1.00 0.00 H new ATOM 885 N LEU A 59 0.043 5.992 -12.842 1.00 0.00 N ATOM 886 CA LEU A 59 0.109 4.696 -13.511 1.00 0.00 C ATOM 887 C LEU A 59 0.672 4.847 -14.923 1.00 0.00 C ATOM 888 O LEU A 59 1.261 3.914 -15.469 1.00 0.00 O ATOM 889 CB LEU A 59 -1.283 4.051 -13.563 1.00 0.00 C ATOM 890 CG LEU A 59 -1.446 2.922 -14.591 1.00 0.00 C ATOM 891 CD1 LEU A 59 -2.049 1.684 -13.947 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.301 3.385 -15.762 1.00 0.00 C ATOM 0 H LEU A 59 -0.895 6.274 -12.556 1.00 0.00 H new ATOM 0 HA LEU A 59 0.775 4.049 -12.940 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.520 3.657 -12.575 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.017 4.827 -13.781 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.457 2.661 -14.967 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.154 0.899 -14.696 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.397 1.336 -13.146 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.029 1.928 -13.537 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.405 2.572 -16.480 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.286 3.678 -15.400 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.824 4.237 -16.246 1.00 0.00 H new ATOM 904 N GLU A 60 0.500 6.028 -15.505 1.00 0.00 N ATOM 905 CA GLU A 60 1.003 6.294 -16.849 1.00 0.00 C ATOM 906 C GLU A 60 2.296 7.111 -16.810 1.00 0.00 C ATOM 907 O GLU A 60 2.886 7.403 -17.851 1.00 0.00 O ATOM 908 CB GLU A 60 -0.056 7.029 -17.672 1.00 0.00 C ATOM 909 CG GLU A 60 -1.419 6.355 -17.647 1.00 0.00 C ATOM 910 CD GLU A 60 -2.384 6.952 -18.652 1.00 0.00 C ATOM 911 OE1 GLU A 60 -1.919 7.623 -19.597 1.00 0.00 O ATOM 912 OE2 GLU A 60 -3.606 6.746 -18.496 1.00 0.00 O ATOM 0 H GLU A 60 0.018 6.815 -15.070 1.00 0.00 H new ATOM 0 HA GLU A 60 1.224 5.336 -17.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.156 8.047 -17.295 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.285 7.103 -18.705 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.298 5.291 -17.853 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.844 6.440 -16.647 1.00 0.00 H new ATOM 919 N SER A 61 2.736 7.475 -15.607 1.00 0.00 N ATOM 920 CA SER A 61 3.958 8.256 -15.442 1.00 0.00 C ATOM 921 C SER A 61 4.721 7.812 -14.193 1.00 0.00 C ATOM 922 O SER A 61 4.459 8.294 -13.091 1.00 0.00 O ATOM 923 CB SER A 61 3.626 9.745 -15.352 1.00 0.00 C ATOM 924 OG SER A 61 2.491 10.062 -16.140 1.00 0.00 O ATOM 0 H SER A 61 2.264 7.241 -14.733 1.00 0.00 H new ATOM 0 HA SER A 61 4.592 8.086 -16.312 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.439 10.017 -14.313 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.481 10.333 -15.687 1.00 0.00 H new ATOM 0 HG SER A 61 1.678 9.777 -15.673 1.00 0.00 H new ATOM 930 N PRO A 62 5.678 6.879 -14.351 1.00 0.00 N ATOM 931 CA PRO A 62 6.479 6.371 -13.231 1.00 0.00 C ATOM 932 C PRO A 62 7.091 7.495 -12.397 1.00 0.00 C ATOM 933 O PRO A 62 7.307 7.343 -11.195 1.00 0.00 O ATOM 934 CB PRO A 62 7.577 5.559 -13.921 1.00 0.00 C ATOM 935 CG PRO A 62 6.980 5.140 -15.221 1.00 0.00 C ATOM 936 CD PRO A 62 6.055 6.251 -15.632 1.00 0.00 C ATOM 0 HA PRO A 62 5.878 5.792 -12.530 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.475 6.157 -14.073 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.866 4.696 -13.322 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.754 4.979 -15.972 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.438 4.200 -15.116 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.550 6.960 -16.296 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.183 5.871 -16.164 1.00 0.00 H new ATOM 944 N GLU A 63 7.377 8.615 -13.052 1.00 0.00 N ATOM 945 CA GLU A 63 7.976 9.772 -12.387 1.00 0.00 C ATOM 946 C GLU A 63 7.137 10.239 -11.197 1.00 0.00 C ATOM 947 O GLU A 63 7.635 10.344 -10.076 1.00 0.00 O ATOM 948 CB GLU A 63 8.158 10.920 -13.386 1.00 0.00 C ATOM 949 CG GLU A 63 6.980 11.112 -14.333 1.00 0.00 C ATOM 950 CD GLU A 63 7.380 11.012 -15.793 1.00 0.00 C ATOM 951 OE1 GLU A 63 8.470 11.508 -16.145 1.00 0.00 O ATOM 952 OE2 GLU A 63 6.602 10.436 -16.583 1.00 0.00 O ATOM 0 H GLU A 63 7.203 8.749 -14.048 1.00 0.00 H new ATOM 0 HA GLU A 63 8.950 9.466 -12.006 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.321 11.846 -12.834 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.057 10.737 -13.974 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.219 10.362 -14.117 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.527 12.087 -14.150 1.00 0.00 H new ATOM 959 N SER A 64 5.860 10.512 -11.443 1.00 0.00 N ATOM 960 CA SER A 64 4.950 10.960 -10.396 1.00 0.00 C ATOM 961 C SER A 64 4.537 9.779 -9.542 1.00 0.00 C ATOM 962 O SER A 64 4.258 9.910 -8.352 1.00 0.00 O ATOM 963 CB SER A 64 3.718 11.627 -11.013 1.00 0.00 C ATOM 964 OG SER A 64 3.794 13.038 -10.906 1.00 0.00 O ATOM 0 H SER A 64 5.430 10.430 -12.364 1.00 0.00 H new ATOM 0 HA SER A 64 5.459 11.692 -9.769 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.634 11.343 -12.062 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.818 11.269 -10.513 1.00 0.00 H new ATOM 0 HG SER A 64 2.996 13.440 -11.309 1.00 0.00 H new ATOM 970 N LEU A 65 4.499 8.619 -10.176 1.00 0.00 N ATOM 971 CA LEU A 65 4.127 7.397 -9.506 1.00 0.00 C ATOM 972 C LEU A 65 5.042 7.150 -8.317 1.00 0.00 C ATOM 973 O LEU A 65 4.604 7.179 -7.168 1.00 0.00 O ATOM 974 CB LEU A 65 4.223 6.230 -10.494 1.00 0.00 C ATOM 975 CG LEU A 65 3.428 4.964 -10.148 1.00 0.00 C ATOM 976 CD1 LEU A 65 3.902 3.806 -11.017 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.559 4.604 -8.672 1.00 0.00 C ATOM 0 H LEU A 65 4.725 8.504 -11.164 1.00 0.00 H new ATOM 0 HA LEU A 65 3.103 7.482 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.891 6.583 -11.470 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.273 5.955 -10.594 1.00 0.00 H new ATOM 0 HG LEU A 65 2.374 5.161 -10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.335 2.909 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.748 4.053 -12.068 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.962 3.627 -10.838 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.983 3.702 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.608 4.427 -8.432 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.181 5.425 -8.062 1.00 0.00 H new ATOM 989 N ARG A 66 6.311 6.900 -8.596 1.00 0.00 N ATOM 990 CA ARG A 66 7.272 6.627 -7.534 1.00 0.00 C ATOM 991 C ARG A 66 7.299 7.754 -6.513 1.00 0.00 C ATOM 992 O ARG A 66 7.536 7.526 -5.330 1.00 0.00 O ATOM 993 CB ARG A 66 8.665 6.401 -8.121 1.00 0.00 C ATOM 994 CG ARG A 66 9.676 5.868 -7.117 1.00 0.00 C ATOM 995 CD ARG A 66 10.807 5.122 -7.807 1.00 0.00 C ATOM 996 NE ARG A 66 11.013 3.792 -7.238 1.00 0.00 N ATOM 997 CZ ARG A 66 11.629 2.801 -7.875 1.00 0.00 C ATOM 998 NH1 ARG A 66 12.106 2.987 -9.100 1.00 0.00 N ATOM 999 NH2 ARG A 66 11.771 1.621 -7.287 1.00 0.00 N ATOM 0 H ARG A 66 6.699 6.880 -9.539 1.00 0.00 H new ATOM 0 HA ARG A 66 6.958 5.718 -7.020 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.589 5.701 -8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.034 7.342 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.085 6.695 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 66 9.176 5.202 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.586 5.031 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.727 5.699 -7.721 1.00 0.00 H new ATOM 0 HE ARG A 66 10.664 3.613 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.001 3.893 -9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.578 2.224 -9.585 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.407 1.473 -6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.244 0.861 -7.776 1.00 0.00 H new ATOM 1013 N SER A 67 7.045 8.969 -6.980 1.00 0.00 N ATOM 1014 CA SER A 67 7.034 10.139 -6.110 1.00 0.00 C ATOM 1015 C SER A 67 6.074 9.953 -4.935 1.00 0.00 C ATOM 1016 O SER A 67 6.421 10.236 -3.788 1.00 0.00 O ATOM 1017 CB SER A 67 6.638 11.378 -6.912 1.00 0.00 C ATOM 1018 OG SER A 67 7.729 11.863 -7.674 1.00 0.00 O ATOM 0 H SER A 67 6.843 9.171 -7.959 1.00 0.00 H new ATOM 0 HA SER A 67 8.038 10.268 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.807 11.136 -7.574 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.289 12.157 -6.234 1.00 0.00 H new ATOM 0 HG SER A 67 7.779 11.373 -8.521 1.00 0.00 H new ATOM 1024 N LYS A 68 4.866 9.484 -5.224 1.00 0.00 N ATOM 1025 CA LYS A 68 3.861 9.274 -4.187 1.00 0.00 C ATOM 1026 C LYS A 68 4.166 8.019 -3.373 1.00 0.00 C ATOM 1027 O LYS A 68 4.177 8.054 -2.143 1.00 0.00 O ATOM 1028 CB LYS A 68 2.462 9.175 -4.805 1.00 0.00 C ATOM 1029 CG LYS A 68 2.255 10.086 -6.007 1.00 0.00 C ATOM 1030 CD LYS A 68 1.148 11.098 -5.755 1.00 0.00 C ATOM 1031 CE LYS A 68 1.356 12.368 -6.563 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.069 13.069 -6.833 1.00 0.00 N ATOM 0 H LYS A 68 4.558 9.242 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 68 3.889 10.132 -3.516 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.281 8.144 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.721 9.419 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.184 10.610 -6.232 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.008 9.485 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.185 10.656 -6.012 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.113 11.343 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.028 13.036 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.841 12.122 -7.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.216 13.797 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.637 12.382 -7.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.272 13.517 -5.959 1.00 0.00 H new ATOM 1046 N VAL A 69 4.410 6.912 -4.066 1.00 0.00 N ATOM 1047 CA VAL A 69 4.714 5.648 -3.403 1.00 0.00 C ATOM 1048 C VAL A 69 5.927 5.779 -2.491 1.00 0.00 C ATOM 1049 O VAL A 69 5.888 5.362 -1.333 1.00 0.00 O ATOM 1050 CB VAL A 69 4.984 4.526 -4.422 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.069 3.182 -3.715 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.914 4.513 -5.502 1.00 0.00 C ATOM 0 H VAL A 69 4.403 6.864 -5.085 1.00 0.00 H new ATOM 0 HA VAL A 69 3.837 5.391 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 69 5.942 4.716 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.260 2.397 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.880 3.205 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.128 2.980 -3.204 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.123 3.713 -6.212 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.938 4.347 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.912 5.470 -6.024 1.00 0.00 H new ATOM 1062 N ASP A 70 7.002 6.368 -3.011 1.00 0.00 N ATOM 1063 CA ASP A 70 8.220 6.559 -2.229 1.00 0.00 C ATOM 1064 C ASP A 70 7.866 7.134 -0.867 1.00 0.00 C ATOM 1065 O ASP A 70 8.201 6.569 0.174 1.00 0.00 O ATOM 1066 CB ASP A 70 9.178 7.510 -2.952 1.00 0.00 C ATOM 1067 CG ASP A 70 10.440 6.825 -3.438 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.511 5.580 -3.367 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.363 7.537 -3.889 1.00 0.00 O ATOM 0 H ASP A 70 7.054 6.720 -3.967 1.00 0.00 H new ATOM 0 HA ASP A 70 8.711 5.594 -2.105 1.00 0.00 H new ATOM 0 HB2 ASP A 70 8.664 7.957 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.449 8.324 -2.280 1.00 0.00 H new ATOM 1074 N GLU A 71 7.175 8.264 -0.900 1.00 0.00 N ATOM 1075 CA GLU A 71 6.748 8.943 0.311 1.00 0.00 C ATOM 1076 C GLU A 71 6.089 7.962 1.267 1.00 0.00 C ATOM 1077 O GLU A 71 6.444 7.902 2.444 1.00 0.00 O ATOM 1078 CB GLU A 71 5.803 10.082 -0.057 1.00 0.00 C ATOM 1079 CG GLU A 71 6.507 11.428 -0.188 1.00 0.00 C ATOM 1080 CD GLU A 71 7.783 11.359 -1.004 1.00 0.00 C ATOM 1081 OE1 GLU A 71 7.884 10.474 -1.876 1.00 0.00 O ATOM 1082 OE2 GLU A 71 8.684 12.190 -0.767 1.00 0.00 O ATOM 0 H GLU A 71 6.897 8.732 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 71 7.616 9.361 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.308 9.845 -0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.024 10.159 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.826 12.143 -0.650 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.740 11.807 0.807 1.00 0.00 H new ATOM 1089 N ALA A 72 5.145 7.182 0.753 1.00 0.00 N ATOM 1090 CA ALA A 72 4.449 6.189 1.563 1.00 0.00 C ATOM 1091 C ALA A 72 5.426 5.406 2.427 1.00 0.00 C ATOM 1092 O ALA A 72 5.278 5.333 3.644 1.00 0.00 O ATOM 1093 CB ALA A 72 3.699 5.221 0.661 1.00 0.00 C ATOM 0 H ALA A 72 4.844 7.218 -0.221 1.00 0.00 H new ATOM 0 HA ALA A 72 3.749 6.715 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.181 4.482 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.972 5.770 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.405 4.716 0.002 1.00 0.00 H new ATOM 1099 N VAL A 73 6.421 4.822 1.783 1.00 0.00 N ATOM 1100 CA VAL A 73 7.420 4.032 2.487 1.00 0.00 C ATOM 1101 C VAL A 73 8.019 4.811 3.651 1.00 0.00 C ATOM 1102 O VAL A 73 8.217 4.269 4.731 1.00 0.00 O ATOM 1103 CB VAL A 73 8.539 3.561 1.537 1.00 0.00 C ATOM 1104 CG1 VAL A 73 9.370 2.462 2.185 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.950 3.078 0.219 1.00 0.00 C ATOM 0 H VAL A 73 6.560 4.879 0.774 1.00 0.00 H new ATOM 0 HA VAL A 73 6.912 3.152 2.882 1.00 0.00 H new ATOM 0 HB VAL A 73 9.194 4.408 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.154 2.145 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.823 2.841 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.729 1.613 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.754 2.749 -0.440 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.271 2.246 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.403 3.893 -0.255 1.00 0.00 H new ATOM 1115 N ALA A 74 8.301 6.085 3.439 1.00 0.00 N ATOM 1116 CA ALA A 74 8.865 6.906 4.494 1.00 0.00 C ATOM 1117 C ALA A 74 7.820 7.198 5.573 1.00 0.00 C ATOM 1118 O ALA A 74 8.037 6.922 6.754 1.00 0.00 O ATOM 1119 CB ALA A 74 9.419 8.202 3.915 1.00 0.00 C ATOM 0 H ALA A 74 8.150 6.569 2.554 1.00 0.00 H new ATOM 0 HA ALA A 74 9.684 6.356 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.839 8.809 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 74 10.198 7.972 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.617 8.754 3.425 1.00 0.00 H new ATOM 1125 N VAL A 75 6.690 7.764 5.157 1.00 0.00 N ATOM 1126 CA VAL A 75 5.613 8.110 6.083 1.00 0.00 C ATOM 1127 C VAL A 75 4.920 6.886 6.666 1.00 0.00 C ATOM 1128 O VAL A 75 4.925 6.670 7.875 1.00 0.00 O ATOM 1129 CB VAL A 75 4.548 9.006 5.405 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.999 8.395 4.122 1.00 0.00 C ATOM 1131 CG2 VAL A 75 3.420 9.342 6.374 1.00 0.00 C ATOM 0 H VAL A 75 6.495 7.994 4.182 1.00 0.00 H new ATOM 0 HA VAL A 75 6.093 8.655 6.896 1.00 0.00 H new ATOM 0 HB VAL A 75 5.050 9.931 5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.256 9.065 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.813 8.247 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.534 7.435 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.685 9.972 5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.941 8.422 6.708 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.826 9.873 7.235 1.00 0.00 H new ATOM 1141 N LEU A 76 4.302 6.114 5.795 1.00 0.00 N ATOM 1142 CA LEU A 76 3.562 4.919 6.202 1.00 0.00 C ATOM 1143 C LEU A 76 4.404 4.015 7.093 1.00 0.00 C ATOM 1144 O LEU A 76 4.010 3.703 8.214 1.00 0.00 O ATOM 1145 CB LEU A 76 3.069 4.149 4.976 1.00 0.00 C ATOM 1146 CG LEU A 76 2.702 2.685 5.222 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.517 2.578 6.172 1.00 0.00 C ATOM 1148 CD2 LEU A 76 2.403 1.995 3.905 1.00 0.00 C ATOM 0 H LEU A 76 4.293 6.289 4.790 1.00 0.00 H new ATOM 0 HA LEU A 76 2.699 5.247 6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.195 4.662 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.843 4.188 4.209 1.00 0.00 H new ATOM 0 HG LEU A 76 3.551 2.186 5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.273 1.528 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.772 3.041 7.125 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.656 3.088 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.143 0.953 4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.569 2.495 3.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.282 2.040 3.263 1.00 0.00 H new ATOM 1160 N GLN A 77 5.559 3.592 6.593 1.00 0.00 N ATOM 1161 CA GLN A 77 6.430 2.719 7.368 1.00 0.00 C ATOM 1162 C GLN A 77 6.659 3.321 8.755 1.00 0.00 C ATOM 1163 O GLN A 77 6.814 2.599 9.740 1.00 0.00 O ATOM 1164 CB GLN A 77 7.761 2.488 6.651 1.00 0.00 C ATOM 1165 CG GLN A 77 8.308 1.080 6.825 1.00 0.00 C ATOM 1166 CD GLN A 77 9.351 0.988 7.919 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.058 0.567 9.038 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.579 1.381 7.600 1.00 0.00 N ATOM 0 H GLN A 77 5.910 3.836 5.667 1.00 0.00 H new ATOM 0 HA GLN A 77 5.944 1.749 7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 77 7.632 2.690 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 77 8.494 3.203 7.024 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.486 0.401 7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.744 0.746 5.884 1.00 0.00 H new ATOM 0 HE21 GLN A 77 10.777 1.723 6.660 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.324 1.341 8.295 1.00 0.00 H new ATOM 1177 N ALA A 78 6.647 4.654 8.825 1.00 0.00 N ATOM 1178 CA ALA A 78 6.821 5.357 10.092 1.00 0.00 C ATOM 1179 C ALA A 78 5.506 5.407 10.873 1.00 0.00 C ATOM 1180 O ALA A 78 5.459 5.053 12.051 1.00 0.00 O ATOM 1181 CB ALA A 78 7.345 6.766 9.848 1.00 0.00 C ATOM 0 H ALA A 78 6.519 5.265 8.019 1.00 0.00 H new ATOM 0 HA ALA A 78 7.551 4.809 10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.470 7.278 10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.306 6.713 9.336 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.635 7.316 9.231 1.00 0.00 H new ATOM 1187 N HIS A 79 4.438 5.853 10.207 1.00 0.00 N ATOM 1188 CA HIS A 79 3.121 5.954 10.835 1.00 0.00 C ATOM 1189 C HIS A 79 2.524 4.572 11.114 1.00 0.00 C ATOM 1190 O HIS A 79 1.513 4.455 11.805 1.00 0.00 O ATOM 1191 CB HIS A 79 2.166 6.776 9.953 1.00 0.00 C ATOM 1192 CG HIS A 79 1.949 8.172 10.448 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.197 8.471 11.564 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.389 9.359 9.967 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.182 9.780 11.748 1.00 0.00 C ATOM 1196 NE2 HIS A 79 1.899 10.341 10.793 1.00 0.00 N ATOM 0 H HIS A 79 4.461 6.150 9.231 1.00 0.00 H new ATOM 0 HA HIS A 79 3.249 6.463 11.790 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.564 6.816 8.939 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.205 6.265 9.898 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.010 9.506 9.096 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.670 10.301 12.544 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.063 11.342 10.685 1.00 0.00 H new ATOM 1204 N GLN A 80 3.155 3.529 10.575 1.00 0.00 N ATOM 1205 CA GLN A 80 2.685 2.162 10.772 1.00 0.00 C ATOM 1206 C GLN A 80 2.836 1.739 12.230 1.00 0.00 C ATOM 1207 O GLN A 80 1.849 1.474 12.916 1.00 0.00 O ATOM 1208 CB GLN A 80 3.465 1.202 9.869 1.00 0.00 C ATOM 1209 CG GLN A 80 2.580 0.314 9.010 1.00 0.00 C ATOM 1210 CD GLN A 80 2.830 -1.163 9.248 1.00 0.00 C ATOM 1211 OE1 GLN A 80 1.910 -1.916 9.565 1.00 0.00 O ATOM 1212 NE2 GLN A 80 4.081 -1.582 9.097 1.00 0.00 N ATOM 0 H GLN A 80 3.993 3.607 9.999 1.00 0.00 H new ATOM 0 HA GLN A 80 1.628 2.125 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.122 1.781 9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.103 0.572 10.489 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.534 0.540 9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.753 0.543 7.958 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.812 -0.921 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.311 -2.565 9.245 1.00 0.00 H new ATOM 1221 N ALA A 81 4.080 1.678 12.692 1.00 0.00 N ATOM 1222 CA ALA A 81 4.367 1.287 14.067 1.00 0.00 C ATOM 1223 C ALA A 81 3.967 -0.161 14.321 1.00 0.00 C ATOM 1224 O ALA A 81 2.998 -0.659 13.749 1.00 0.00 O ATOM 1225 CB ALA A 81 3.655 2.215 15.042 1.00 0.00 C ATOM 0 H ALA A 81 4.906 1.894 12.134 1.00 0.00 H new ATOM 0 HA ALA A 81 5.442 1.371 14.225 1.00 0.00 H new ATOM 0 HB1 ALA A 81 3.879 1.910 16.064 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.996 3.238 14.885 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.579 2.162 14.875 1.00 0.00 H new ATOM 1231 N LYS A 82 4.721 -0.833 15.183 1.00 0.00 N ATOM 1232 CA LYS A 82 4.448 -2.226 15.516 1.00 0.00 C ATOM 1233 C LYS A 82 3.145 -2.356 16.298 1.00 0.00 C ATOM 1234 O LYS A 82 2.686 -1.399 16.923 1.00 0.00 O ATOM 1235 CB LYS A 82 5.606 -2.818 16.324 1.00 0.00 C ATOM 1236 CG LYS A 82 6.003 -1.983 17.531 1.00 0.00 C ATOM 1237 CD LYS A 82 7.247 -2.537 18.207 1.00 0.00 C ATOM 1238 CE LYS A 82 7.127 -2.491 19.722 1.00 0.00 C ATOM 1239 NZ LYS A 82 7.660 -1.220 20.286 1.00 0.00 N ATOM 0 H LYS A 82 5.527 -0.435 15.665 1.00 0.00 H new ATOM 0 HA LYS A 82 4.346 -2.781 14.584 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.328 -3.817 16.661 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.472 -2.931 15.671 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.185 -0.954 17.219 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.180 -1.959 18.245 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.409 -3.566 17.885 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.119 -1.963 17.893 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.081 -2.603 20.006 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.667 -3.334 20.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.559 -1.230 21.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.665 -1.124 20.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.129 -0.417 19.894 1.00 0.00 H new ATOM 1253 N GLU A 83 2.555 -3.547 16.261 1.00 0.00 N ATOM 1254 CA GLU A 83 1.305 -3.805 16.966 1.00 0.00 C ATOM 1255 C GLU A 83 1.573 -4.260 18.398 1.00 0.00 C ATOM 1256 O GLU A 83 1.068 -5.294 18.839 1.00 0.00 O ATOM 1257 CB GLU A 83 0.483 -4.861 16.220 1.00 0.00 C ATOM 1258 CG GLU A 83 -0.539 -4.273 15.263 1.00 0.00 C ATOM 1259 CD GLU A 83 -1.847 -5.042 15.265 1.00 0.00 C ATOM 1260 OE1 GLU A 83 -1.878 -6.161 14.713 1.00 0.00 O ATOM 1261 OE2 GLU A 83 -2.839 -4.524 15.820 1.00 0.00 O ATOM 0 H GLU A 83 2.923 -4.349 15.750 1.00 0.00 H new ATOM 0 HA GLU A 83 0.736 -2.876 17.003 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.160 -5.509 15.662 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.032 -5.489 16.947 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.731 -3.235 15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.126 -4.267 14.254 1.00 0.00 H new ATOM 1268 N ALA A 84 2.374 -3.483 19.120 1.00 0.00 N ATOM 1269 CA ALA A 84 2.711 -3.806 20.500 1.00 0.00 C ATOM 1270 C ALA A 84 1.463 -3.831 21.376 1.00 0.00 C ATOM 1271 O ALA A 84 1.162 -4.838 22.015 1.00 0.00 O ATOM 1272 CB ALA A 84 3.723 -2.807 21.041 1.00 0.00 C ATOM 0 H ALA A 84 2.801 -2.625 18.771 1.00 0.00 H new ATOM 0 HA ALA A 84 3.155 -4.801 20.520 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.967 -3.059 22.073 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.628 -2.842 20.435 1.00 0.00 H new ATOM 0 HB3 ALA A 84 3.300 -1.803 21.003 1.00 0.00 H new ATOM 1278 N ALA A 85 0.741 -2.714 21.400 1.00 0.00 N ATOM 1279 CA ALA A 85 -0.473 -2.608 22.198 1.00 0.00 C ATOM 1280 C ALA A 85 -1.547 -3.569 21.695 1.00 0.00 C ATOM 1281 O ALA A 85 -1.967 -3.496 20.541 1.00 0.00 O ATOM 1282 CB ALA A 85 -0.993 -1.177 22.181 1.00 0.00 C ATOM 0 H ALA A 85 0.977 -1.871 20.876 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.229 -2.882 23.224 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.901 -1.112 22.781 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -0.236 -0.510 22.594 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.215 -0.883 21.155 1.00 0.00 H new ATOM 1288 N GLN A 86 -1.985 -4.468 22.571 1.00 0.00 N ATOM 1289 CA GLN A 86 -3.010 -5.445 22.219 1.00 0.00 C ATOM 1290 C GLN A 86 -4.383 -4.787 22.131 1.00 0.00 C ATOM 1291 O GLN A 86 -4.495 -3.561 22.126 1.00 0.00 O ATOM 1292 CB GLN A 86 -3.034 -6.576 23.250 1.00 0.00 C ATOM 1293 CG GLN A 86 -3.385 -6.109 24.653 1.00 0.00 C ATOM 1294 CD GLN A 86 -4.089 -7.178 25.466 1.00 0.00 C ATOM 1295 OE1 GLN A 86 -5.319 -7.225 25.518 1.00 0.00 O ATOM 1296 NE2 GLN A 86 -3.312 -8.044 26.104 1.00 0.00 N ATOM 0 H GLN A 86 -1.646 -4.540 23.530 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.766 -5.858 21.240 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -3.756 -7.329 22.935 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.057 -7.060 23.270 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.474 -5.806 25.169 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.023 -5.228 24.589 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -2.297 -7.968 26.033 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.729 -8.786 26.666 1.00 0.00 H new ATOM 1305 N LYS A 87 -5.427 -5.608 22.061 1.00 0.00 N ATOM 1306 CA LYS A 87 -6.795 -5.108 21.974 1.00 0.00 C ATOM 1307 C LYS A 87 -7.388 -4.883 23.364 1.00 0.00 C ATOM 1308 O LYS A 87 -8.544 -5.222 23.617 1.00 0.00 O ATOM 1309 CB LYS A 87 -7.666 -6.091 21.190 1.00 0.00 C ATOM 1310 CG LYS A 87 -8.461 -5.444 20.068 1.00 0.00 C ATOM 1311 CD LYS A 87 -7.552 -4.889 18.981 1.00 0.00 C ATOM 1312 CE LYS A 87 -6.755 -5.990 18.296 1.00 0.00 C ATOM 1313 NZ LYS A 87 -5.443 -5.493 17.796 1.00 0.00 N ATOM 0 H LYS A 87 -5.351 -6.625 22.063 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.772 -4.151 21.452 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.030 -6.871 20.770 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.357 -6.579 21.878 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.141 -6.177 19.634 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.075 -4.640 20.474 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.152 -4.360 18.241 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.867 -4.161 19.416 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.591 -6.809 18.996 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.332 -6.393 17.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.929 -6.271 17.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.600 -4.728 17.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.882 -5.132 18.594 1.00 0.00 H new ATOM 1327 N ALA A 88 -6.593 -4.312 24.260 1.00 0.00 N ATOM 1328 CA ALA A 88 -7.045 -4.049 25.618 1.00 0.00 C ATOM 1329 C ALA A 88 -7.776 -2.715 25.704 1.00 0.00 C ATOM 1330 O ALA A 88 -7.155 -1.664 25.868 1.00 0.00 O ATOM 1331 CB ALA A 88 -5.863 -4.072 26.576 1.00 0.00 C ATOM 0 H ALA A 88 -5.633 -4.023 24.070 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.746 -4.833 25.903 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.212 -3.874 27.589 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.386 -5.051 26.541 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.143 -3.307 26.284 1.00 0.00 H new ATOM 1337 N VAL A 89 -9.099 -2.763 25.598 1.00 0.00 N ATOM 1338 CA VAL A 89 -9.915 -1.558 25.669 1.00 0.00 C ATOM 1339 C VAL A 89 -10.230 -1.194 27.117 1.00 0.00 C ATOM 1340 O VAL A 89 -11.390 -1.002 27.483 1.00 0.00 O ATOM 1341 CB VAL A 89 -11.235 -1.727 24.889 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -10.955 -1.945 23.409 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -12.053 -2.876 25.462 1.00 0.00 C ATOM 0 H VAL A 89 -9.629 -3.624 25.463 1.00 0.00 H new ATOM 0 HA VAL A 89 -9.336 -0.754 25.214 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.818 -0.812 24.994 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.897 -2.062 22.874 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -10.416 -1.086 23.010 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -10.351 -2.843 23.281 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -12.980 -2.979 24.898 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.481 -3.801 25.391 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.285 -2.672 26.507 1.00 0.00 H new ATOM 1353 N ASN A 90 -9.188 -1.101 27.938 1.00 0.00 N ATOM 1354 CA ASN A 90 -9.351 -0.761 29.346 1.00 0.00 C ATOM 1355 C ASN A 90 -8.991 0.700 29.594 1.00 0.00 C ATOM 1356 O ASN A 90 -8.102 1.006 30.390 1.00 0.00 O ATOM 1357 CB ASN A 90 -8.481 -1.673 30.215 1.00 0.00 C ATOM 1358 CG ASN A 90 -8.682 -3.141 29.895 1.00 0.00 C ATOM 1359 OD1 ASN A 90 -8.205 -3.637 28.874 1.00 0.00 O ATOM 1360 ND2 ASN A 90 -9.392 -3.844 30.768 1.00 0.00 N ATOM 0 H ASN A 90 -8.222 -1.257 27.651 1.00 0.00 H new ATOM 0 HA ASN A 90 -10.397 -0.908 29.615 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.432 -1.413 30.072 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.713 -1.498 31.266 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -9.561 -4.837 30.606 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.768 -3.392 31.601 1.00 0.00 H new ATOM 1367 N SER A 91 -9.686 1.598 28.904 1.00 0.00 N ATOM 1368 CA SER A 91 -9.441 3.028 29.047 1.00 0.00 C ATOM 1369 C SER A 91 -10.222 3.601 30.226 1.00 0.00 C ATOM 1370 O SER A 91 -11.256 4.245 30.044 1.00 0.00 O ATOM 1371 CB SER A 91 -9.822 3.763 27.761 1.00 0.00 C ATOM 1372 OG SER A 91 -9.102 4.977 27.634 1.00 0.00 O ATOM 0 H SER A 91 -10.423 1.361 28.240 1.00 0.00 H new ATOM 0 HA SER A 91 -8.377 3.171 29.237 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.620 3.125 26.901 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.892 3.970 27.760 1.00 0.00 H new ATOM 0 HG SER A 91 -9.363 5.427 26.803 1.00 0.00 H new ATOM 1378 N ALA A 92 -9.720 3.365 31.433 1.00 0.00 N ATOM 1379 CA ALA A 92 -10.368 3.860 32.641 1.00 0.00 C ATOM 1380 C ALA A 92 -10.047 5.332 32.877 1.00 0.00 C ATOM 1381 O ALA A 92 -10.794 6.040 33.552 1.00 0.00 O ATOM 1382 CB ALA A 92 -9.948 3.027 33.843 1.00 0.00 C ATOM 0 H ALA A 92 -8.866 2.834 31.601 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.446 3.770 32.507 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.439 3.407 34.739 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.237 1.988 33.684 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.867 3.088 33.968 1.00 0.00 H new ATOM 1388 N THR A 93 -8.929 5.789 32.317 1.00 0.00 N ATOM 1389 CA THR A 93 -8.511 7.178 32.468 1.00 0.00 C ATOM 1390 C THR A 93 -8.830 7.982 31.213 1.00 0.00 C ATOM 1391 O THR A 93 -8.141 7.872 30.198 1.00 0.00 O ATOM 1392 CB THR A 93 -7.013 7.251 32.768 1.00 0.00 C ATOM 1393 OG1 THR A 93 -6.623 6.200 33.634 1.00 0.00 O ATOM 1394 CG2 THR A 93 -6.593 8.556 33.410 1.00 0.00 C ATOM 0 H THR A 93 -8.298 5.217 31.755 1.00 0.00 H new ATOM 0 HA THR A 93 -9.063 7.609 33.303 1.00 0.00 H new ATOM 0 HB THR A 93 -6.521 7.167 31.799 1.00 0.00 H new ATOM 0 HG1 THR A 93 -5.661 6.263 33.812 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.519 8.541 33.596 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.834 9.384 32.743 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.123 8.684 34.354 1.00 0.00 H new ATOM 1402 N GLY A 94 -9.881 8.794 31.287 1.00 0.00 N ATOM 1403 CA GLY A 94 -10.273 9.606 30.150 1.00 0.00 C ATOM 1404 C GLY A 94 -9.522 10.922 30.092 1.00 0.00 C ATOM 1405 O GLY A 94 -8.724 11.148 29.182 1.00 0.00 O ATOM 0 H GLY A 94 -10.468 8.904 32.114 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -10.095 9.049 29.230 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -11.344 9.804 30.200 1.00 0.00 H new ATOM 1409 N VAL A 95 -9.778 11.789 31.065 1.00 0.00 N ATOM 1410 CA VAL A 95 -9.121 13.089 31.121 1.00 0.00 C ATOM 1411 C VAL A 95 -7.734 12.975 31.749 1.00 0.00 C ATOM 1412 O VAL A 95 -7.497 12.117 32.600 1.00 0.00 O ATOM 1413 CB VAL A 95 -9.957 14.110 31.920 1.00 0.00 C ATOM 1414 CG1 VAL A 95 -11.318 14.312 31.270 1.00 0.00 C ATOM 1415 CG2 VAL A 95 -10.106 13.666 33.370 1.00 0.00 C ATOM 0 H VAL A 95 -10.435 11.615 31.825 1.00 0.00 H new ATOM 0 HA VAL A 95 -9.024 13.440 30.094 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.433 15.066 31.912 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.893 15.035 31.848 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -11.184 14.683 30.254 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.852 13.362 31.242 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -10.699 14.400 33.916 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -10.605 12.698 33.405 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.120 13.582 33.828 1.00 0.00 H new ATOM 1425 N PRO A 96 -6.795 13.846 31.339 1.00 0.00 N ATOM 1426 CA PRO A 96 -5.429 13.837 31.869 1.00 0.00 C ATOM 1427 C PRO A 96 -5.374 14.271 33.329 1.00 0.00 C ATOM 1428 O PRO A 96 -5.816 15.366 33.678 1.00 0.00 O ATOM 1429 CB PRO A 96 -4.694 14.846 30.984 1.00 0.00 C ATOM 1430 CG PRO A 96 -5.761 15.753 30.475 1.00 0.00 C ATOM 1431 CD PRO A 96 -6.991 14.903 30.331 1.00 0.00 C ATOM 0 HA PRO A 96 -4.992 12.839 31.850 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.944 15.397 31.551 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.173 14.349 30.165 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.935 16.578 31.166 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -5.476 16.193 29.519 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -7.899 15.475 30.520 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.078 14.489 29.326 1.00 0.00 H new ATOM 1439 N THR A 97 -4.828 13.407 34.181 1.00 0.00 N ATOM 1440 CA THR A 97 -4.716 13.707 35.604 1.00 0.00 C ATOM 1441 C THR A 97 -3.499 14.584 35.879 1.00 0.00 C ATOM 1442 O THR A 97 -2.604 14.206 36.637 1.00 0.00 O ATOM 1443 CB THR A 97 -4.626 12.412 36.417 1.00 0.00 C ATOM 1444 OG1 THR A 97 -4.240 12.686 37.754 1.00 0.00 O ATOM 1445 CG2 THR A 97 -3.638 11.414 35.853 1.00 0.00 C ATOM 0 H THR A 97 -4.457 12.496 33.911 1.00 0.00 H new ATOM 0 HA THR A 97 -5.610 14.253 35.907 1.00 0.00 H new ATOM 0 HB THR A 97 -5.624 11.975 36.372 1.00 0.00 H new ATOM 0 HG1 THR A 97 -3.331 13.052 37.764 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.626 10.521 36.478 1.00 0.00 H new ATOM 0 HG22 THR A 97 -3.933 11.143 34.839 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.643 11.858 35.835 1.00 0.00 H new ATOM 1453 N VAL A 98 -3.471 15.760 35.258 1.00 0.00 N ATOM 1454 CA VAL A 98 -2.366 16.695 35.436 1.00 0.00 C ATOM 1455 C VAL A 98 -2.835 17.959 36.150 1.00 0.00 C ATOM 1456 O VAL A 98 -4.058 18.097 36.359 1.00 0.00 O ATOM 1457 CB VAL A 98 -1.729 17.080 34.083 1.00 0.00 C ATOM 1458 CG1 VAL A 98 -0.375 17.744 34.290 1.00 0.00 C ATOM 1459 CG2 VAL A 98 -1.590 15.859 33.187 1.00 0.00 C ATOM 1460 OXT VAL A 98 -1.979 18.796 36.499 1.00 0.00 O ATOM 0 H VAL A 98 -4.202 16.088 34.627 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.615 16.193 36.046 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.389 17.795 33.592 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.054 18.006 33.323 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.500 18.647 34.888 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.293 17.055 34.808 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.139 16.153 32.239 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.957 15.119 33.676 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.574 15.429 33.003 1.00 0.00 H new TER 1470 VAL A 98 ATOM 1471 N VAL B 1 11.617 22.082 7.434 1.00 0.00 N ATOM 1472 CA VAL B 1 10.237 21.580 7.665 1.00 0.00 C ATOM 1473 C VAL B 1 10.231 20.076 7.915 1.00 0.00 C ATOM 1474 O VAL B 1 10.496 19.284 7.011 1.00 0.00 O ATOM 1475 CB VAL B 1 9.320 21.887 6.464 1.00 0.00 C ATOM 1476 CG1 VAL B 1 8.946 23.360 6.438 1.00 0.00 C ATOM 1477 CG2 VAL B 1 9.989 21.475 5.161 1.00 0.00 C ATOM 0 H1 VAL B 1 11.575 23.036 7.022 1.00 0.00 H new ATOM 0 H2 VAL B 1 12.129 22.118 8.338 1.00 0.00 H new ATOM 0 H3 VAL B 1 12.114 21.444 6.780 1.00 0.00 H new ATOM 0 HA VAL B 1 9.859 22.095 8.548 1.00 0.00 H new ATOM 0 HB VAL B 1 8.404 21.307 6.574 1.00 0.00 H new ATOM 0 HG11 VAL B 1 8.299 23.556 5.583 1.00 0.00 H new ATOM 0 HG12 VAL B 1 8.421 23.618 7.358 1.00 0.00 H new ATOM 0 HG13 VAL B 1 9.850 23.963 6.355 1.00 0.00 H new ATOM 0 HG21 VAL B 1 9.327 21.699 4.325 1.00 0.00 H new ATOM 0 HG22 VAL B 1 10.923 22.025 5.042 1.00 0.00 H new ATOM 0 HG23 VAL B 1 10.198 20.405 5.181 1.00 0.00 H new ATOM 1489 N LEU B 2 9.926 19.687 9.149 1.00 0.00 N ATOM 1490 CA LEU B 2 9.882 18.276 9.514 1.00 0.00 C ATOM 1491 C LEU B 2 8.460 17.735 9.396 1.00 0.00 C ATOM 1492 O LEU B 2 7.961 17.060 10.296 1.00 0.00 O ATOM 1493 CB LEU B 2 10.413 18.078 10.937 1.00 0.00 C ATOM 1494 CG LEU B 2 11.825 17.499 11.023 1.00 0.00 C ATOM 1495 CD1 LEU B 2 12.554 18.050 12.239 1.00 0.00 C ATOM 1496 CD2 LEU B 2 11.775 15.979 11.072 1.00 0.00 C ATOM 0 H LEU B 2 9.706 20.328 9.911 1.00 0.00 H new ATOM 0 HA LEU B 2 10.518 17.721 8.825 1.00 0.00 H new ATOM 0 HB2 LEU B 2 10.398 19.039 11.452 1.00 0.00 H new ATOM 0 HB3 LEU B 2 9.732 17.418 11.475 1.00 0.00 H new ATOM 0 HG LEU B 2 12.375 17.796 10.130 1.00 0.00 H new ATOM 0 HD11 LEU B 2 13.558 17.627 12.284 1.00 0.00 H new ATOM 0 HD12 LEU B 2 12.621 19.135 12.162 1.00 0.00 H new ATOM 0 HD13 LEU B 2 12.007 17.783 13.143 1.00 0.00 H new ATOM 0 HD21 LEU B 2 12.789 15.583 11.133 1.00 0.00 H new ATOM 0 HD22 LEU B 2 11.208 15.662 11.947 1.00 0.00 H new ATOM 0 HD23 LEU B 2 11.292 15.602 10.171 1.00 0.00 H new ATOM 1508 N MET B 3 7.815 18.038 8.277 1.00 0.00 N ATOM 1509 CA MET B 3 6.451 17.586 8.037 1.00 0.00 C ATOM 1510 C MET B 3 6.438 16.126 7.606 1.00 0.00 C ATOM 1511 O MET B 3 7.480 15.474 7.552 1.00 0.00 O ATOM 1512 CB MET B 3 5.786 18.445 6.959 1.00 0.00 C ATOM 1513 CG MET B 3 5.720 19.923 7.310 1.00 0.00 C ATOM 1514 SD MET B 3 4.034 20.564 7.323 1.00 0.00 S ATOM 1515 CE MET B 3 4.297 22.234 6.728 1.00 0.00 C ATOM 0 H MET B 3 8.214 18.595 7.521 1.00 0.00 H new ATOM 0 HA MET B 3 5.893 17.685 8.968 1.00 0.00 H new ATOM 0 HB2 MET B 3 6.333 18.327 6.024 1.00 0.00 H new ATOM 0 HB3 MET B 3 4.775 18.076 6.785 1.00 0.00 H new ATOM 0 HG2 MET B 3 6.171 20.079 8.290 1.00 0.00 H new ATOM 0 HG3 MET B 3 6.313 20.489 6.592 1.00 0.00 H new ATOM 0 HE1 MET B 3 3.342 22.758 6.681 1.00 0.00 H new ATOM 0 HE2 MET B 3 4.967 22.761 7.407 1.00 0.00 H new ATOM 0 HE3 MET B 3 4.741 22.200 5.733 1.00 0.00 H new ATOM 1525 N SER B 4 5.251 15.620 7.295 1.00 0.00 N ATOM 1526 CA SER B 4 5.106 14.240 6.861 1.00 0.00 C ATOM 1527 C SER B 4 5.358 14.130 5.365 1.00 0.00 C ATOM 1528 O SER B 4 5.841 15.070 4.737 1.00 0.00 O ATOM 1529 CB SER B 4 3.709 13.717 7.206 1.00 0.00 C ATOM 1530 OG SER B 4 3.776 12.705 8.195 1.00 0.00 O ATOM 0 H SER B 4 4.377 16.145 7.336 1.00 0.00 H new ATOM 0 HA SER B 4 5.843 13.631 7.384 1.00 0.00 H new ATOM 0 HB2 SER B 4 3.087 14.538 7.562 1.00 0.00 H new ATOM 0 HB3 SER B 4 3.233 13.323 6.309 1.00 0.00 H new ATOM 0 HG SER B 4 2.872 12.388 8.400 1.00 0.00 H new ATOM 1536 N LYS B 5 5.031 12.979 4.799 1.00 0.00 N ATOM 1537 CA LYS B 5 5.231 12.758 3.377 1.00 0.00 C ATOM 1538 C LYS B 5 4.006 13.189 2.573 1.00 0.00 C ATOM 1539 O LYS B 5 2.998 13.616 3.135 1.00 0.00 O ATOM 1540 CB LYS B 5 5.538 11.285 3.116 1.00 0.00 C ATOM 1541 CG LYS B 5 6.798 10.791 3.808 1.00 0.00 C ATOM 1542 CD LYS B 5 8.052 11.420 3.219 1.00 0.00 C ATOM 1543 CE LYS B 5 8.639 12.472 4.146 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.048 12.797 3.792 1.00 0.00 N ATOM 0 H LYS B 5 4.628 12.187 5.300 1.00 0.00 H new ATOM 0 HA LYS B 5 6.077 13.365 3.055 1.00 0.00 H new ATOM 0 HB2 LYS B 5 4.692 10.683 3.447 1.00 0.00 H new ATOM 0 HB3 LYS B 5 5.639 11.129 2.042 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.742 11.021 4.872 1.00 0.00 H new ATOM 0 HG3 LYS B 5 6.860 9.706 3.719 1.00 0.00 H new ATOM 0 HD2 LYS B 5 8.795 10.645 3.031 1.00 0.00 H new ATOM 0 HD3 LYS B 5 7.815 11.874 2.257 1.00 0.00 H new ATOM 0 HE2 LYS B 5 8.034 13.377 4.098 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.596 12.115 5.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.413 13.518 4.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 10.631 11.938 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.086 13.162 2.819 1.00 0.00 H new ATOM 1558 N LEU B 6 4.107 13.068 1.253 1.00 0.00 N ATOM 1559 CA LEU B 6 3.019 13.435 0.351 1.00 0.00 C ATOM 1560 C LEU B 6 1.838 12.490 0.529 1.00 0.00 C ATOM 1561 O LEU B 6 0.682 12.912 0.516 1.00 0.00 O ATOM 1562 CB LEU B 6 3.495 13.382 -1.108 1.00 0.00 C ATOM 1563 CG LEU B 6 4.395 14.540 -1.561 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.654 14.018 -2.245 1.00 0.00 C ATOM 1565 CD2 LEU B 6 3.637 15.466 -2.502 1.00 0.00 C ATOM 0 H LEU B 6 4.939 12.715 0.780 1.00 0.00 H new ATOM 0 HA LEU B 6 2.706 14.451 0.592 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.034 12.447 -1.260 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.618 13.354 -1.755 1.00 0.00 H new ATOM 0 HG LEU B 6 4.692 15.101 -0.675 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.274 14.859 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.213 13.392 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU B 6 5.376 13.429 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.290 16.282 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.311 14.906 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.767 15.874 -1.988 1.00 0.00 H new ATOM 1577 N SER B 7 2.140 11.207 0.688 1.00 0.00 N ATOM 1578 CA SER B 7 1.108 10.194 0.857 1.00 0.00 C ATOM 1579 C SER B 7 1.066 9.689 2.297 1.00 0.00 C ATOM 1580 O SER B 7 1.463 8.561 2.584 1.00 0.00 O ATOM 1581 CB SER B 7 1.362 9.035 -0.101 1.00 0.00 C ATOM 1582 OG SER B 7 1.646 9.512 -1.405 1.00 0.00 O ATOM 0 H SER B 7 3.093 10.844 0.703 1.00 0.00 H new ATOM 0 HA SER B 7 0.142 10.644 0.630 1.00 0.00 H new ATOM 0 HB2 SER B 7 2.196 8.434 0.261 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.489 8.383 -0.130 1.00 0.00 H new ATOM 0 HG SER B 7 2.507 9.152 -1.705 1.00 0.00 H new ATOM 1588 N VAL B 8 0.580 10.538 3.197 1.00 0.00 N ATOM 1589 CA VAL B 8 0.481 10.191 4.611 1.00 0.00 C ATOM 1590 C VAL B 8 -0.287 8.889 4.810 1.00 0.00 C ATOM 1591 O VAL B 8 -0.740 8.273 3.845 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.213 11.307 5.410 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.681 12.533 5.492 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.560 11.655 4.787 1.00 0.00 C ATOM 0 H VAL B 8 0.247 11.475 2.971 1.00 0.00 H new ATOM 0 HA VAL B 8 1.500 10.065 4.977 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.394 10.948 6.423 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.176 13.314 6.060 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.615 12.270 5.988 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.894 12.896 4.487 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -2.035 12.446 5.367 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.410 11.996 3.763 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.199 10.772 4.786 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.426 8.469 6.065 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.135 7.237 6.378 1.00 0.00 C ATOM 1606 C ASN B 9 -2.657 7.435 6.342 1.00 0.00 C ATOM 1607 O ASN B 9 -3.349 7.116 7.307 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.706 6.728 7.760 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.331 5.394 8.117 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -0.848 4.325 7.495 1.00 0.00 O flip ATOM 1611 ND2 ASN B 9 -2.236 5.323 8.950 1.00 0.00 N flip ATOM 0 H ASN B 9 -0.057 8.964 6.877 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.877 6.499 5.618 1.00 0.00 H new ATOM 0 HB2 ASN B 9 0.380 6.634 7.786 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -0.980 7.465 8.514 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -2.578 6.169 9.405 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -2.643 4.418 9.185 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.175 7.978 5.234 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.612 8.230 5.098 1.00 0.00 C ATOM 1620 C ALA B 10 -5.448 6.987 5.422 1.00 0.00 C ATOM 1621 O ALA B 10 -4.907 5.948 5.799 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.909 8.726 3.690 1.00 0.00 C ATOM 0 H ALA B 10 -2.621 8.250 4.422 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.892 8.996 5.821 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.978 8.914 3.588 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.359 9.649 3.506 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.603 7.971 2.966 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.791 7.088 5.285 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.709 5.975 5.566 1.00 0.00 C ATOM 1630 C PRO B 11 -7.300 4.690 4.856 1.00 0.00 C ATOM 1631 O PRO B 11 -6.173 4.569 4.383 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.049 6.476 5.028 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.957 7.958 5.127 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.517 8.298 4.854 1.00 0.00 C ATOM 0 HA PRO B 11 -7.726 5.721 6.626 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.209 6.156 3.998 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.882 6.090 5.615 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.616 8.440 4.405 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.260 8.304 6.115 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.348 8.513 3.799 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.199 9.178 5.413 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.222 3.739 4.753 1.00 0.00 N ATOM 1643 CA GLU B 12 -7.948 2.489 4.057 1.00 0.00 C ATOM 1644 C GLU B 12 -8.150 2.631 2.547 1.00 0.00 C ATOM 1645 O GLU B 12 -8.359 3.728 2.029 1.00 0.00 O ATOM 1646 CB GLU B 12 -8.826 1.366 4.605 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.042 0.107 4.937 1.00 0.00 C ATOM 1648 CD GLU B 12 -7.102 0.299 6.113 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -6.554 1.411 6.258 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -6.914 -0.663 6.886 1.00 0.00 O ATOM 0 H GLU B 12 -9.162 3.810 5.142 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.902 2.237 4.233 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.337 1.716 5.502 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.597 1.125 3.873 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -8.738 -0.702 5.161 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -7.467 -0.200 4.063 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.088 1.495 1.857 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.267 1.461 0.407 1.00 0.00 C ATOM 1659 C PHE B 13 -9.660 0.937 0.057 1.00 0.00 C ATOM 1660 O PHE B 13 -10.005 -0.207 0.355 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.170 0.623 -0.266 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.265 -0.858 -0.031 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.122 -1.397 1.239 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.494 -1.716 -1.092 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.206 -2.762 1.440 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.577 -3.078 -0.896 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.435 -3.601 0.366 1.00 0.00 C ATOM 0 H PHE B 13 -7.915 0.583 2.280 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.180 2.478 0.025 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.201 0.808 -1.340 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.200 0.970 0.089 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.943 -0.743 2.080 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.609 -1.313 -2.087 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.093 -3.171 2.433 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.754 -3.734 -1.735 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.502 -4.668 0.519 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.448 1.795 -0.595 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.808 1.455 -1.016 1.00 0.00 C ATOM 1679 C TYR B 14 -11.944 1.513 -2.544 1.00 0.00 C ATOM 1680 O TYR B 14 -11.039 1.980 -3.236 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.818 2.402 -0.353 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.602 1.757 0.776 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -12.972 1.395 1.961 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -14.965 1.495 0.656 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.675 0.796 2.990 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.672 0.893 1.679 1.00 0.00 C ATOM 1687 CZ TYR B 14 -15.024 0.545 2.843 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.722 -0.062 3.862 1.00 0.00 O ATOM 0 H TYR B 14 -10.162 2.742 -0.845 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.018 0.434 -0.698 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.288 3.272 0.034 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.515 2.764 -1.109 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.915 1.585 2.080 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.479 1.768 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -13.170 0.526 3.906 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.728 0.696 1.566 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.660 -0.165 3.599 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.093 1.057 -3.091 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.355 1.080 -4.537 1.00 0.00 C ATOM 1700 C PRO B 15 -13.415 2.496 -5.091 1.00 0.00 C ATOM 1701 O PRO B 15 -14.470 3.135 -5.101 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.723 0.423 -4.679 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.351 0.540 -3.336 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.226 0.495 -2.344 1.00 0.00 C ATOM 0 HA PRO B 15 -12.562 0.574 -5.088 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.323 0.923 -5.440 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.630 -0.620 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.911 1.471 -3.248 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.055 -0.274 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.451 1.082 -1.454 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.023 -0.523 -2.012 1.00 0.00 H new ATOM 1712 N SER B 16 -12.282 2.970 -5.564 1.00 0.00 N ATOM 1713 CA SER B 16 -12.179 4.304 -6.132 1.00 0.00 C ATOM 1714 C SER B 16 -13.210 4.511 -7.232 1.00 0.00 C ATOM 1715 O SER B 16 -14.080 5.377 -7.129 1.00 0.00 O ATOM 1716 CB SER B 16 -10.774 4.514 -6.673 1.00 0.00 C ATOM 1717 OG SER B 16 -10.330 5.835 -6.418 1.00 0.00 O ATOM 0 H SER B 16 -11.407 2.446 -5.567 1.00 0.00 H new ATOM 0 HA SER B 16 -12.379 5.036 -5.350 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.091 3.800 -6.212 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.760 4.321 -7.746 1.00 0.00 H new ATOM 0 HG SER B 16 -10.275 5.981 -5.450 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.117 3.705 -8.281 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.055 3.806 -9.377 1.00 0.00 C ATOM 1725 C GLY B 17 -15.320 3.009 -9.120 1.00 0.00 C ATOM 1726 O GLY B 17 -15.711 2.177 -9.940 1.00 0.00 O ATOM 0 H GLY B 17 -12.406 2.982 -8.391 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.313 4.853 -9.538 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.582 3.450 -10.292 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.962 3.266 -7.985 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.194 2.570 -7.628 1.00 0.00 C ATOM 1732 C TYR B 18 -18.333 2.972 -8.563 1.00 0.00 C ATOM 1733 O TYR B 18 -18.614 4.160 -8.734 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.570 2.897 -6.182 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.300 1.786 -5.463 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.720 0.533 -5.309 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.564 1.996 -4.926 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.384 -0.483 -4.642 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.233 0.987 -4.258 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.641 -0.249 -4.118 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.311 -1.253 -3.451 1.00 0.00 O ATOM 0 H TYR B 18 -15.650 3.951 -7.297 1.00 0.00 H new ATOM 0 HA TYR B 18 -17.028 1.497 -7.728 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.662 3.137 -5.628 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -18.194 3.791 -6.174 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.737 0.348 -5.716 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.032 2.964 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.922 -1.453 -4.532 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.216 1.167 -3.848 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.181 -0.920 -3.147 1.00 0.00 H new ATOM 1751 N SER B 19 -18.993 1.983 -9.161 1.00 0.00 N ATOM 1752 CA SER B 19 -20.105 2.251 -10.068 1.00 0.00 C ATOM 1753 C SER B 19 -21.431 2.224 -9.314 1.00 0.00 C ATOM 1754 O SER B 19 -21.560 1.547 -8.293 1.00 0.00 O ATOM 1755 CB SER B 19 -20.133 1.235 -11.219 1.00 0.00 C ATOM 1756 OG SER B 19 -18.962 0.440 -11.239 1.00 0.00 O ATOM 0 H SER B 19 -18.778 0.994 -9.035 1.00 0.00 H new ATOM 0 HA SER B 19 -19.960 3.246 -10.490 1.00 0.00 H new ATOM 0 HB2 SER B 19 -21.008 0.593 -11.118 1.00 0.00 H new ATOM 0 HB3 SER B 19 -20.232 1.762 -12.168 1.00 0.00 H new ATOM 0 HG SER B 19 -18.346 0.782 -11.920 1.00 0.00 H new ATOM 1762 N SER B 20 -22.409 2.966 -9.818 1.00 0.00 N ATOM 1763 CA SER B 20 -23.724 3.030 -9.186 1.00 0.00 C ATOM 1764 C SER B 20 -24.716 2.108 -9.889 1.00 0.00 C ATOM 1765 O SER B 20 -25.012 2.283 -11.071 1.00 0.00 O ATOM 1766 CB SER B 20 -24.250 4.467 -9.205 1.00 0.00 C ATOM 1767 OG SER B 20 -24.780 4.800 -10.476 1.00 0.00 O ATOM 0 H SER B 20 -22.318 3.532 -10.662 1.00 0.00 H new ATOM 0 HA SER B 20 -23.618 2.698 -8.153 1.00 0.00 H new ATOM 0 HB2 SER B 20 -25.021 4.585 -8.444 1.00 0.00 H new ATOM 0 HB3 SER B 20 -23.444 5.156 -8.952 1.00 0.00 H new ATOM 0 HG SER B 20 -24.654 4.047 -11.090 1.00 0.00 H new ATOM 1773 N SER B 21 -25.231 1.130 -9.151 1.00 0.00 N ATOM 1774 CA SER B 21 -26.194 0.182 -9.700 1.00 0.00 C ATOM 1775 C SER B 21 -27.525 0.269 -8.959 1.00 0.00 C ATOM 1776 O SER B 21 -27.660 -0.235 -7.844 1.00 0.00 O ATOM 1777 CB SER B 21 -25.644 -1.244 -9.620 1.00 0.00 C ATOM 1778 OG SER B 21 -25.826 -1.931 -10.847 1.00 0.00 O ATOM 0 H SER B 21 -24.997 0.973 -8.171 1.00 0.00 H new ATOM 0 HA SER B 21 -26.362 0.439 -10.746 1.00 0.00 H new ATOM 0 HB2 SER B 21 -24.583 -1.215 -9.370 1.00 0.00 H new ATOM 0 HB3 SER B 21 -26.146 -1.786 -8.818 1.00 0.00 H new ATOM 0 HG SER B 21 -25.465 -2.839 -10.770 1.00 0.00 H new ATOM 1784 N TYR B 22 -28.506 0.914 -9.584 1.00 0.00 N ATOM 1785 CA TYR B 22 -29.826 1.069 -8.983 1.00 0.00 C ATOM 1786 C TYR B 22 -30.836 0.129 -9.637 1.00 0.00 C ATOM 1787 O TYR B 22 -31.386 0.499 -10.695 1.00 0.00 O ATOM 1788 CB TYR B 22 -30.300 2.517 -9.114 1.00 0.00 C ATOM 1789 CG TYR B 22 -29.466 3.501 -8.324 1.00 0.00 C ATOM 1790 CD1 TYR B 22 -29.491 3.506 -6.935 1.00 0.00 C ATOM 1791 CD2 TYR B 22 -28.655 4.427 -8.969 1.00 0.00 C ATOM 1792 CE1 TYR B 22 -28.731 4.406 -6.212 1.00 0.00 C ATOM 1793 CE2 TYR B 22 -27.892 5.330 -8.251 1.00 0.00 C ATOM 1794 CZ TYR B 22 -27.935 5.315 -6.873 1.00 0.00 C ATOM 1795 OH TYR B 22 -27.178 6.213 -6.153 1.00 0.00 O ATOM 1796 OXT TYR B 22 -31.066 -0.967 -9.086 1.00 0.00 O ATOM 0 H TYR B 22 -28.411 1.338 -10.507 1.00 0.00 H new ATOM 0 HA TYR B 22 -29.750 0.812 -7.926 1.00 0.00 H new ATOM 0 HB2 TYR B 22 -30.284 2.802 -10.166 1.00 0.00 H new ATOM 0 HB3 TYR B 22 -31.336 2.583 -8.782 1.00 0.00 H new ATOM 0 HD1 TYR B 22 -30.114 2.796 -6.412 1.00 0.00 H new ATOM 0 HD2 TYR B 22 -28.620 4.442 -10.048 1.00 0.00 H new ATOM 0 HE1 TYR B 22 -28.761 4.396 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -27.266 6.043 -8.767 1.00 0.00 H new ATOM 0 HH TYR B 22 -26.673 6.783 -6.769 1.00 0.00 H new TER 1806 TYR B 22