USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 877 hydrogens (5 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 93 TYR OH : rot -134:sc= -5! USER MOD Set 1.2: A 94 HIS :FLIP no HE2:sc= -36.7! C(o=-45!,f=-42!) USER MOD Set 2.1: A 92 GLN :FLIP amide:sc= -13.5! C(o=-23!,f=-16!) USER MOD Set 2.2: A 95 GLN : amide:sc= -2.87! C(o=-16!,f=-17!) USER MOD Set 3.1: A 81 LYS NZ :NH3+ -132:sc= -8.31! (180deg=-10.9!) USER MOD Set 3.2: A 82 TYR OH : rot 180:sc= 0.718 USER MOD Set 4.1: A 39 SER OG : rot -179:sc= -2.16! USER MOD Set 4.2: A 44 THR OG1 : rot 74:sc= -1.13! USER MOD Set 4.3: A 46 THR OG1 : rot 65:sc= -3! USER MOD Set 4.4: A 65 HIS : no HE2:sc= -26.2! C(o=-32!,f=-47!) USER MOD Set 5.1: A 48 SER OG : rot 40:sc= -5.38! USER MOD Set 5.2: A 63 HIS : no HD1:sc= -21.9! C(o=-27!,f=-37!) USER MOD Set 6.1: A 62 LYS NZ :NH3+ -157:sc= -2.27! (180deg=-2.14!) USER MOD Set 6.2: A 64 TYR OH : rot 177:sc= -7.23! USER MOD Set 7.1: A 4 ASN :FLIP amide:sc= 0.187 F(o=-2.8,f=0.19) USER MOD Set 7.2: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 8.1: A 13 ASN :FLIP amide:sc= -24.4! C(o=-52!,f=-49!) USER MOD Set 8.2: A 35 MET CE :methyl -120:sc= -24.5! (180deg=-11.6!) USER MOD Set 9.1: A 28 THR OG1 : rot 131:sc= -2.43! USER MOD Set 9.2: A 30 LYS NZ :NH3+ 173:sc= -2.47! (180deg=-0.762!) USER MOD Set10.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set10.2: A 20 LYS NZ :NH3+ -118:sc= -1.4! (180deg=-2.39!) USER MOD Single : A 5 ASN : amide:sc= -0.0457 K(o=-0.046,f=-1.2) USER MOD Single : A 8 THR OG1 : rot -86:sc= 0.643 USER MOD Single : A 9 TYR OH : rot 150:sc= -2.61! USER MOD Single : A 12 TYR OH : rot 139:sc= -1.17 USER MOD Single : A 14 LYS NZ :NH3+ -156:sc= -0.0819 (180deg=-0.327) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -150:sc= -4.06! USER MOD Single : A 51 THR OG1 : rot -113:sc= -8.53! USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= -2.19! (180deg=-2.31!) USER MOD Single : A 56 SER OG : rot -84:sc= 0.115 USER MOD Single : A 58 ASN : amide:sc= -7.14! C(o=-7.1!,f=-14!) USER MOD Single : A 60 CYS SG : rot 2:sc= -6.89! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot -76:sc= 0.205! USER MOD Single : A 70 ASN : amide:sc= 0.0403 X(o=0.04,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -126:sc= -1.19! USER MOD Single : A 86 SER OG : rot 142:sc= -3.63! USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -2.91! USER MOD Single : A 107 TYR OH : rot -103:sc= 0.481 USER MOD Single : A 110 CYS SG : rot -50:sc= 0.434 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 3 -6.554 14.322 2.964 1.00 0.00 C HETATM 2 O ACE A 3 -7.592 14.600 3.564 1.00 0.00 O HETATM 3 CH3 ACE A 3 -5.356 15.236 3.029 1.00 0.00 C HETATM 0 H1 ACE A 3 -4.510 14.697 3.455 1.00 0.00 H new HETATM 0 H2 ACE A 3 -5.102 15.575 2.025 1.00 0.00 H new HETATM 0 H3 ACE A 3 -5.589 16.098 3.654 1.00 0.00 H new ATOM 7 N ASN A 4 -6.414 13.223 2.231 1.00 0.00 N ATOM 8 CA ASN A 4 -7.499 12.260 2.084 1.00 0.00 C ATOM 9 C ASN A 4 -7.963 11.751 3.443 1.00 0.00 C ATOM 10 O ASN A 4 -7.756 12.399 4.468 1.00 0.00 O ATOM 11 CB ASN A 4 -7.054 11.082 1.217 1.00 0.00 C ATOM 12 CG ASN A 4 -7.842 10.985 -0.074 1.00 0.00 C ATOM 13 OD1 ASN A 4 -8.273 12.129 -0.591 1.00 0.00 O flip ATOM 14 ND2 ASN A 4 -8.062 9.894 -0.600 1.00 0.00 N flip ATOM 0 H ASN A 4 -5.560 12.977 1.730 1.00 0.00 H new ATOM 0 HA ASN A 4 -8.333 12.767 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -5.994 11.185 0.986 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -7.169 10.156 1.780 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.711 9.039 -0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.595 9.845 -1.468 1.00 0.00 H new ATOM 21 N ASN A 5 -8.593 10.583 3.438 1.00 0.00 N ATOM 22 CA ASN A 5 -9.091 9.971 4.662 1.00 0.00 C ATOM 23 C ASN A 5 -7.944 9.539 5.563 1.00 0.00 C ATOM 24 O ASN A 5 -7.788 10.033 6.680 1.00 0.00 O ATOM 25 CB ASN A 5 -9.952 8.756 4.326 1.00 0.00 C ATOM 26 CG ASN A 5 -11.117 8.586 5.282 1.00 0.00 C ATOM 27 OD1 ASN A 5 -11.136 9.173 6.363 1.00 0.00 O ATOM 28 ND2 ASN A 5 -12.094 7.779 4.885 1.00 0.00 N ATOM 0 H ASN A 5 -8.772 10.038 2.594 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.690 10.714 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.332 8.854 3.309 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.333 7.859 4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -12.904 7.625 5.486 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -12.035 7.313 3.979 1.00 0.00 H new ATOM 35 N LEU A 6 -7.150 8.601 5.065 1.00 0.00 N ATOM 36 CA LEU A 6 -6.017 8.073 5.809 1.00 0.00 C ATOM 37 C LEU A 6 -5.040 9.173 6.190 1.00 0.00 C ATOM 38 O LEU A 6 -5.022 9.645 7.327 1.00 0.00 O ATOM 39 CB LEU A 6 -5.287 7.018 4.975 1.00 0.00 C ATOM 40 CG LEU A 6 -5.957 6.663 3.650 1.00 0.00 C ATOM 41 CD1 LEU A 6 -5.074 5.729 2.840 1.00 0.00 C ATOM 42 CD2 LEU A 6 -7.313 6.033 3.905 1.00 0.00 C ATOM 0 H LEU A 6 -7.272 8.188 4.141 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.404 7.622 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.277 7.374 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.190 6.110 5.570 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.101 7.577 3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.568 5.487 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.121 6.216 2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.899 4.813 3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.783 5.783 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.187 5.126 4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.944 6.736 4.448 1.00 0.00 H new ATOM 54 N GLU A 7 -4.221 9.561 5.227 1.00 0.00 N ATOM 55 CA GLU A 7 -3.218 10.592 5.437 1.00 0.00 C ATOM 56 C GLU A 7 -2.795 10.657 6.899 1.00 0.00 C ATOM 57 O GLU A 7 -2.473 11.726 7.416 1.00 0.00 O ATOM 58 CB GLU A 7 -3.748 11.949 4.977 1.00 0.00 C ATOM 59 CG GLU A 7 -5.102 11.868 4.293 1.00 0.00 C ATOM 60 CD GLU A 7 -5.016 11.269 2.903 1.00 0.00 C ATOM 61 OE1 GLU A 7 -4.509 11.954 1.991 1.00 0.00 O ATOM 62 OE2 GLU A 7 -5.457 10.113 2.727 1.00 0.00 O ATOM 0 H GLU A 7 -4.232 9.173 4.284 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.341 10.336 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.824 12.612 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.029 12.398 4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.778 11.268 4.902 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.533 12.867 4.228 1.00 0.00 H new ATOM 69 N THR A 8 -2.805 9.507 7.561 1.00 0.00 N ATOM 70 CA THR A 8 -2.431 9.429 8.956 1.00 0.00 C ATOM 71 C THR A 8 -1.793 8.080 9.278 1.00 0.00 C ATOM 72 O THR A 8 -1.610 7.734 10.445 1.00 0.00 O ATOM 73 CB THR A 8 -3.670 9.635 9.814 1.00 0.00 C ATOM 74 OG1 THR A 8 -4.698 8.737 9.434 1.00 0.00 O ATOM 75 CG2 THR A 8 -4.228 11.037 9.724 1.00 0.00 C ATOM 0 H THR A 8 -3.071 8.614 7.146 1.00 0.00 H new ATOM 0 HA THR A 8 -1.697 10.207 9.168 1.00 0.00 H new ATOM 0 HB THR A 8 -3.348 9.453 10.839 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.213 9.123 8.695 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.110 11.119 10.359 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.474 11.751 10.057 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.502 11.254 8.692 1.00 0.00 H new ATOM 83 N TYR A 9 -1.470 7.316 8.237 1.00 0.00 N ATOM 84 CA TYR A 9 -0.868 6.002 8.419 1.00 0.00 C ATOM 85 C TYR A 9 0.614 6.008 8.091 1.00 0.00 C ATOM 86 O TYR A 9 1.048 6.615 7.111 1.00 0.00 O ATOM 87 CB TYR A 9 -1.587 4.973 7.555 1.00 0.00 C ATOM 88 CG TYR A 9 -3.040 4.860 7.921 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.444 4.027 8.953 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.004 5.608 7.259 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.770 3.935 9.315 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.335 5.523 7.618 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.713 4.686 8.646 1.00 0.00 C ATOM 94 OH TYR A 9 -7.039 4.601 9.007 1.00 0.00 O ATOM 0 H TYR A 9 -1.615 7.585 7.264 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.974 5.735 9.470 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.497 5.252 6.505 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -1.106 4.002 7.669 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.707 3.441 9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.710 6.264 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.069 3.278 10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.076 6.110 7.096 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.482 5.456 8.828 1.00 0.00 H new ATOM 104 N GLU A 10 1.384 5.312 8.914 1.00 0.00 N ATOM 105 CA GLU A 10 2.817 5.214 8.717 1.00 0.00 C ATOM 106 C GLU A 10 3.131 4.883 7.266 1.00 0.00 C ATOM 107 O GLU A 10 4.229 5.149 6.781 1.00 0.00 O ATOM 108 CB GLU A 10 3.393 4.126 9.623 1.00 0.00 C ATOM 109 CG GLU A 10 4.517 3.334 8.979 1.00 0.00 C ATOM 110 CD GLU A 10 5.542 2.852 9.987 1.00 0.00 C ATOM 111 OE1 GLU A 10 5.183 2.019 10.847 1.00 0.00 O ATOM 112 OE2 GLU A 10 6.703 3.306 9.916 1.00 0.00 O ATOM 0 H GLU A 10 1.035 4.805 9.728 1.00 0.00 H new ATOM 0 HA GLU A 10 3.268 6.174 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.762 4.586 10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.594 3.442 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.097 2.476 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.012 3.954 8.231 1.00 0.00 H new ATOM 119 N TRP A 11 2.167 4.270 6.590 1.00 0.00 N ATOM 120 CA TRP A 11 2.341 3.864 5.204 1.00 0.00 C ATOM 121 C TRP A 11 1.841 4.909 4.209 1.00 0.00 C ATOM 122 O TRP A 11 2.457 5.123 3.166 1.00 0.00 O ATOM 123 CB TRP A 11 1.583 2.568 4.976 1.00 0.00 C ATOM 124 CG TRP A 11 0.256 2.537 5.676 1.00 0.00 C ATOM 125 CD1 TRP A 11 -0.040 2.000 6.901 1.00 0.00 C ATOM 126 CD2 TRP A 11 -0.967 3.055 5.164 1.00 0.00 C ATOM 127 NE1 TRP A 11 -1.386 2.149 7.166 1.00 0.00 N ATOM 128 CE2 TRP A 11 -1.973 2.797 6.112 1.00 0.00 C ATOM 129 CE3 TRP A 11 -1.300 3.711 3.989 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -3.298 3.177 5.907 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -2.610 4.086 3.783 1.00 0.00 C ATOM 132 CH2 TRP A 11 -3.595 3.818 4.737 1.00 0.00 C ATOM 0 H TRP A 11 1.253 4.043 6.983 1.00 0.00 H new ATOM 0 HA TRP A 11 3.410 3.740 5.033 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.427 2.427 3.906 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.190 1.732 5.322 1.00 0.00 H new ATOM 0 HD1 TRP A 11 0.674 1.530 7.561 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -1.865 1.829 8.008 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.545 3.925 3.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.061 2.973 6.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.880 4.595 2.870 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.613 4.124 4.546 1.00 0.00 H new ATOM 143 N TYR A 12 0.705 5.527 4.507 1.00 0.00 N ATOM 144 CA TYR A 12 0.123 6.510 3.599 1.00 0.00 C ATOM 145 C TYR A 12 1.046 7.689 3.338 1.00 0.00 C ATOM 146 O TYR A 12 1.724 8.185 4.236 1.00 0.00 O ATOM 147 CB TYR A 12 -1.204 7.036 4.121 1.00 0.00 C ATOM 148 CG TYR A 12 -1.897 7.899 3.100 1.00 0.00 C ATOM 149 CD1 TYR A 12 -2.676 7.327 2.108 1.00 0.00 C ATOM 150 CD2 TYR A 12 -1.757 9.280 3.111 1.00 0.00 C ATOM 151 CE1 TYR A 12 -3.301 8.105 1.158 1.00 0.00 C ATOM 152 CE2 TYR A 12 -2.377 10.067 2.163 1.00 0.00 C ATOM 153 CZ TYR A 12 -3.150 9.475 1.188 1.00 0.00 C ATOM 154 OH TYR A 12 -3.771 10.255 0.240 1.00 0.00 O ATOM 0 H TYR A 12 0.172 5.368 5.362 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.034 5.980 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.848 6.199 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.035 7.612 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.795 6.254 2.079 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.152 9.746 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.907 7.643 0.393 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -2.257 11.140 2.185 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.131 11.061 0.665 1.00 0.00 H new ATOM 164 N ASN A 13 1.043 8.134 2.087 1.00 0.00 N ATOM 165 CA ASN A 13 1.852 9.261 1.662 1.00 0.00 C ATOM 166 C ASN A 13 1.157 10.020 0.539 1.00 0.00 C ATOM 167 O ASN A 13 1.185 9.600 -0.616 1.00 0.00 O ATOM 168 CB ASN A 13 3.213 8.760 1.207 1.00 0.00 C ATOM 169 CG ASN A 13 3.995 8.184 2.362 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.539 7.040 2.848 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 4.983 8.761 2.816 1.00 0.00 N flip ATOM 0 H ASN A 13 0.480 7.722 1.343 1.00 0.00 H new ATOM 0 HA ASN A 13 1.985 9.946 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.085 8.000 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.774 9.579 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.293 9.641 2.405 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.491 8.359 3.604 1.00 0.00 H new ATOM 178 N LYS A 14 0.519 11.132 0.886 1.00 0.00 N ATOM 179 CA LYS A 14 -0.193 11.935 -0.096 1.00 0.00 C ATOM 180 C LYS A 14 0.746 12.435 -1.190 1.00 0.00 C ATOM 181 O LYS A 14 1.966 12.444 -1.024 1.00 0.00 O ATOM 182 CB LYS A 14 -0.874 13.124 0.573 1.00 0.00 C ATOM 183 CG LYS A 14 -2.386 13.015 0.615 1.00 0.00 C ATOM 184 CD LYS A 14 -2.990 14.028 1.574 1.00 0.00 C ATOM 185 CE LYS A 14 -2.335 13.955 2.944 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.354 15.056 3.150 1.00 0.00 N ATOM 0 H LYS A 14 0.481 11.496 1.838 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.950 11.297 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.497 13.222 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.599 14.035 0.042 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.791 13.172 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.671 12.008 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.873 15.032 1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.060 13.846 1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.103 14.004 3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.831 12.995 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.657 14.771 3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.866 15.258 2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.853 15.910 3.472 1.00 0.00 H new ATOM 200 N SER A 15 0.161 12.861 -2.303 1.00 0.00 N ATOM 201 CA SER A 15 0.923 13.383 -3.438 1.00 0.00 C ATOM 202 C SER A 15 2.112 12.489 -3.805 1.00 0.00 C ATOM 203 O SER A 15 2.813 12.758 -4.780 1.00 0.00 O ATOM 204 CB SER A 15 1.418 14.797 -3.131 1.00 0.00 C ATOM 205 OG SER A 15 0.814 15.748 -3.990 1.00 0.00 O ATOM 0 H SER A 15 -0.849 12.856 -2.447 1.00 0.00 H new ATOM 0 HA SER A 15 0.250 13.401 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.195 15.046 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.501 14.838 -3.243 1.00 0.00 H new ATOM 0 HG SER A 15 1.146 16.644 -3.772 1.00 0.00 H new ATOM 211 N ILE A 16 2.346 11.439 -3.024 1.00 0.00 N ATOM 212 CA ILE A 16 3.457 10.536 -3.277 1.00 0.00 C ATOM 213 C ILE A 16 3.338 9.838 -4.624 1.00 0.00 C ATOM 214 O ILE A 16 2.250 9.704 -5.181 1.00 0.00 O ATOM 215 CB ILE A 16 3.557 9.463 -2.185 1.00 0.00 C ATOM 216 CG1 ILE A 16 4.829 9.657 -1.379 1.00 0.00 C ATOM 217 CG2 ILE A 16 3.521 8.071 -2.796 1.00 0.00 C ATOM 218 CD1 ILE A 16 5.454 8.354 -0.936 1.00 0.00 C ATOM 0 H ILE A 16 1.780 11.195 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 16 4.354 11.156 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 16 2.700 9.564 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.550 10.214 -1.977 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.607 10.264 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.593 7.324 -2.005 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.585 7.936 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.359 7.954 -3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.359 8.560 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.748 7.806 -0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.706 7.755 -1.811 1.00 0.00 H new ATOM 230 N SER A 17 4.479 9.382 -5.125 1.00 0.00 N ATOM 231 CA SER A 17 4.541 8.675 -6.393 1.00 0.00 C ATOM 232 C SER A 17 5.226 7.325 -6.207 1.00 0.00 C ATOM 233 O SER A 17 5.551 6.936 -5.085 1.00 0.00 O ATOM 234 CB SER A 17 5.296 9.508 -7.425 1.00 0.00 C ATOM 235 OG SER A 17 4.430 9.954 -8.455 1.00 0.00 O ATOM 0 H SER A 17 5.382 9.492 -4.665 1.00 0.00 H new ATOM 0 HA SER A 17 3.525 8.509 -6.752 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.757 10.366 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.103 8.915 -7.856 1.00 0.00 H new ATOM 0 HG SER A 17 4.938 10.487 -9.102 1.00 0.00 H new ATOM 241 N ARG A 18 5.448 6.617 -7.306 1.00 0.00 N ATOM 242 CA ARG A 18 6.100 5.315 -7.249 1.00 0.00 C ATOM 243 C ARG A 18 7.598 5.463 -6.989 1.00 0.00 C ATOM 244 O ARG A 18 8.221 4.595 -6.380 1.00 0.00 O ATOM 245 CB ARG A 18 5.872 4.550 -8.555 1.00 0.00 C ATOM 246 CG ARG A 18 6.194 5.360 -9.800 1.00 0.00 C ATOM 247 CD ARG A 18 5.401 4.874 -11.001 1.00 0.00 C ATOM 248 NE ARG A 18 5.332 5.881 -12.056 1.00 0.00 N ATOM 249 CZ ARG A 18 4.512 6.927 -12.022 1.00 0.00 C ATOM 250 NH1 ARG A 18 3.697 7.100 -10.992 1.00 0.00 N ATOM 251 NH2 ARG A 18 4.508 7.800 -13.020 1.00 0.00 N ATOM 0 H ARG A 18 5.188 6.920 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 18 5.661 4.754 -6.424 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.485 3.649 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.832 4.228 -8.601 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.973 6.412 -9.618 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.260 5.291 -10.015 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.860 3.967 -11.395 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.392 4.610 -10.686 1.00 0.00 H new ATOM 0 HE ARG A 18 5.947 5.776 -12.863 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.698 6.430 -10.223 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.069 7.903 -10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.134 7.669 -13.814 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.879 8.602 -12.993 1.00 0.00 H new ATOM 265 N ASP A 19 8.171 6.562 -7.468 1.00 0.00 N ATOM 266 CA ASP A 19 9.598 6.820 -7.301 1.00 0.00 C ATOM 267 C ASP A 19 9.945 7.209 -5.865 1.00 0.00 C ATOM 268 O ASP A 19 10.914 6.707 -5.297 1.00 0.00 O ATOM 269 CB ASP A 19 10.048 7.925 -8.259 1.00 0.00 C ATOM 270 CG ASP A 19 10.008 7.485 -9.709 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.785 6.581 -10.078 1.00 0.00 O ATOM 272 OD2 ASP A 19 9.197 8.046 -10.476 1.00 0.00 O ATOM 0 H ASP A 19 7.669 7.290 -7.976 1.00 0.00 H new ATOM 0 HA ASP A 19 10.126 5.895 -7.532 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.408 8.797 -8.129 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.062 8.233 -8.003 1.00 0.00 H new ATOM 277 N LYS A 20 9.160 8.114 -5.287 1.00 0.00 N ATOM 278 CA LYS A 20 9.405 8.573 -3.922 1.00 0.00 C ATOM 279 C LYS A 20 9.164 7.462 -2.906 1.00 0.00 C ATOM 280 O LYS A 20 10.015 7.190 -2.051 1.00 0.00 O ATOM 281 CB LYS A 20 8.512 9.773 -3.600 1.00 0.00 C ATOM 282 CG LYS A 20 8.561 10.868 -4.651 1.00 0.00 C ATOM 283 CD LYS A 20 7.424 10.732 -5.648 1.00 0.00 C ATOM 284 CE LYS A 20 6.412 11.856 -5.496 1.00 0.00 C ATOM 285 NZ LYS A 20 6.124 12.524 -6.794 1.00 0.00 N ATOM 0 H LYS A 20 8.353 8.543 -5.739 1.00 0.00 H new ATOM 0 HA LYS A 20 10.451 8.871 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.483 9.431 -3.492 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.811 10.190 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.506 11.843 -4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.515 10.827 -5.177 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.825 10.737 -6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.927 9.772 -5.506 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.487 11.457 -5.080 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.790 12.591 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.406 13.524 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.658 12.054 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 5.106 12.462 -6.998 1.00 0.00 H new ATOM 299 N ALA A 21 8.001 6.824 -2.996 1.00 0.00 N ATOM 300 CA ALA A 21 7.660 5.752 -2.075 1.00 0.00 C ATOM 301 C ALA A 21 8.747 4.683 -2.055 1.00 0.00 C ATOM 302 O ALA A 21 9.261 4.323 -0.997 1.00 0.00 O ATOM 303 CB ALA A 21 6.308 5.152 -2.415 1.00 0.00 C ATOM 0 H ALA A 21 7.285 7.031 -3.693 1.00 0.00 H new ATOM 0 HA ALA A 21 7.593 6.178 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.077 4.353 -1.711 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.541 5.924 -2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.333 4.748 -3.427 1.00 0.00 H new ATOM 309 N GLU A 22 9.111 4.183 -3.226 1.00 0.00 N ATOM 310 CA GLU A 22 10.149 3.169 -3.309 1.00 0.00 C ATOM 311 C GLU A 22 11.426 3.674 -2.646 1.00 0.00 C ATOM 312 O GLU A 22 11.980 3.020 -1.755 1.00 0.00 O ATOM 313 CB GLU A 22 10.422 2.794 -4.767 1.00 0.00 C ATOM 314 CG GLU A 22 9.328 1.946 -5.393 1.00 0.00 C ATOM 315 CD GLU A 22 9.876 0.870 -6.310 1.00 0.00 C ATOM 316 OE1 GLU A 22 10.991 0.374 -6.042 1.00 0.00 O ATOM 317 OE2 GLU A 22 9.190 0.523 -7.294 1.00 0.00 O ATOM 0 H GLU A 22 8.708 4.459 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 22 9.806 2.277 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.542 3.706 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.366 2.253 -4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.739 1.480 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.653 2.589 -5.957 1.00 0.00 H new ATOM 324 N LYS A 23 11.878 4.851 -3.069 1.00 0.00 N ATOM 325 CA LYS A 23 13.076 5.448 -2.499 1.00 0.00 C ATOM 326 C LYS A 23 12.925 5.556 -0.991 1.00 0.00 C ATOM 327 O LYS A 23 13.811 5.152 -0.237 1.00 0.00 O ATOM 328 CB LYS A 23 13.341 6.828 -3.106 1.00 0.00 C ATOM 329 CG LYS A 23 12.123 7.733 -3.122 1.00 0.00 C ATOM 330 CD LYS A 23 12.049 8.588 -1.867 1.00 0.00 C ATOM 331 CE LYS A 23 11.378 9.925 -2.142 1.00 0.00 C ATOM 332 NZ LYS A 23 12.014 11.033 -1.378 1.00 0.00 N ATOM 0 H LYS A 23 11.434 5.406 -3.801 1.00 0.00 H new ATOM 0 HA LYS A 23 13.928 4.809 -2.731 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.137 7.316 -2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.703 6.703 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.158 8.377 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.220 7.128 -3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.496 8.054 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.054 8.757 -1.481 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.428 10.144 -3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.322 9.862 -1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.528 11.927 -1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.944 10.837 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.016 11.110 -1.647 1.00 0.00 H new ATOM 346 N LEU A 24 11.785 6.085 -0.551 1.00 0.00 N ATOM 347 CA LEU A 24 11.522 6.218 0.877 1.00 0.00 C ATOM 348 C LEU A 24 11.500 4.846 1.538 1.00 0.00 C ATOM 349 O LEU A 24 12.096 4.643 2.595 1.00 0.00 O ATOM 350 CB LEU A 24 10.186 6.918 1.119 1.00 0.00 C ATOM 351 CG LEU A 24 9.072 6.521 0.154 1.00 0.00 C ATOM 352 CD1 LEU A 24 8.308 5.307 0.668 1.00 0.00 C ATOM 353 CD2 LEU A 24 8.137 7.698 -0.075 1.00 0.00 C ATOM 0 H LEU A 24 11.037 6.425 -1.156 1.00 0.00 H new ATOM 0 HA LEU A 24 12.320 6.819 1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.859 6.705 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.339 7.995 1.052 1.00 0.00 H new ATOM 0 HG LEU A 24 9.522 6.245 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.521 5.046 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.992 4.465 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.864 5.540 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.346 7.405 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.697 8.003 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.698 8.531 -0.499 1.00 0.00 H new ATOM 365 N LEU A 25 10.808 3.905 0.902 1.00 0.00 N ATOM 366 CA LEU A 25 10.711 2.551 1.423 1.00 0.00 C ATOM 367 C LEU A 25 12.090 1.907 1.476 1.00 0.00 C ATOM 368 O LEU A 25 12.444 1.252 2.456 1.00 0.00 O ATOM 369 CB LEU A 25 9.761 1.709 0.565 1.00 0.00 C ATOM 370 CG LEU A 25 8.327 1.610 1.094 1.00 0.00 C ATOM 371 CD1 LEU A 25 7.455 2.699 0.490 1.00 0.00 C ATOM 372 CD2 LEU A 25 7.739 0.239 0.801 1.00 0.00 C ATOM 0 H LEU A 25 10.308 4.058 0.026 1.00 0.00 H new ATOM 0 HA LEU A 25 10.308 2.598 2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 25 9.733 2.130 -0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.170 0.703 0.477 1.00 0.00 H new ATOM 0 HG LEU A 25 8.355 1.750 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.441 2.610 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.860 3.676 0.752 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.438 2.592 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.720 0.190 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.729 0.070 -0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.346 -0.528 1.283 1.00 0.00 H new ATOM 384 N LEU A 26 12.872 2.109 0.420 1.00 0.00 N ATOM 385 CA LEU A 26 14.220 1.556 0.360 1.00 0.00 C ATOM 386 C LEU A 26 15.143 2.288 1.326 1.00 0.00 C ATOM 387 O LEU A 26 16.189 1.769 1.718 1.00 0.00 O ATOM 388 CB LEU A 26 14.768 1.646 -1.062 1.00 0.00 C ATOM 389 CG LEU A 26 13.903 0.965 -2.118 1.00 0.00 C ATOM 390 CD1 LEU A 26 13.568 1.934 -3.241 1.00 0.00 C ATOM 391 CD2 LEU A 26 14.603 -0.270 -2.665 1.00 0.00 C ATOM 0 H LEU A 26 12.597 2.648 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 26 14.174 0.507 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.883 2.697 -1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.763 1.201 -1.083 1.00 0.00 H new ATOM 0 HG LEU A 26 12.971 0.651 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.951 1.430 -3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.024 2.787 -2.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 14.489 2.281 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.971 -0.743 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.551 0.020 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.788 -0.973 -1.853 1.00 0.00 H new ATOM 403 N ASP A 27 14.745 3.497 1.711 1.00 0.00 N ATOM 404 CA ASP A 27 15.531 4.301 2.638 1.00 0.00 C ATOM 405 C ASP A 27 15.403 3.758 4.056 1.00 0.00 C ATOM 406 O ASP A 27 16.310 3.907 4.875 1.00 0.00 O ATOM 407 CB ASP A 27 15.078 5.761 2.593 1.00 0.00 C ATOM 408 CG ASP A 27 15.848 6.574 1.570 1.00 0.00 C ATOM 409 OD1 ASP A 27 16.150 6.032 0.487 1.00 0.00 O ATOM 410 OD2 ASP A 27 16.149 7.752 1.854 1.00 0.00 O ATOM 0 H ASP A 27 13.883 3.940 1.395 1.00 0.00 H new ATOM 0 HA ASP A 27 16.577 4.248 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.014 5.801 2.359 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.205 6.208 3.579 1.00 0.00 H new ATOM 415 N THR A 28 14.268 3.124 4.340 1.00 0.00 N ATOM 416 CA THR A 28 14.021 2.554 5.657 1.00 0.00 C ATOM 417 C THR A 28 14.658 1.173 5.773 1.00 0.00 C ATOM 418 O THR A 28 15.435 0.913 6.690 1.00 0.00 O ATOM 419 CB THR A 28 12.515 2.470 5.926 1.00 0.00 C ATOM 420 OG1 THR A 28 12.258 2.390 7.317 1.00 0.00 O ATOM 421 CG2 THR A 28 11.842 1.285 5.267 1.00 0.00 C ATOM 0 H THR A 28 13.506 2.993 3.674 1.00 0.00 H new ATOM 0 HA THR A 28 14.474 3.205 6.404 1.00 0.00 H new ATOM 0 HB THR A 28 12.100 3.381 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.572 3.046 7.561 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.778 1.293 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.975 1.346 4.187 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.288 0.362 5.636 1.00 0.00 H new ATOM 429 N GLY A 29 14.326 0.293 4.834 1.00 0.00 N ATOM 430 CA GLY A 29 14.881 -1.049 4.847 1.00 0.00 C ATOM 431 C GLY A 29 14.100 -1.992 5.739 1.00 0.00 C ATOM 432 O GLY A 29 14.593 -2.422 6.782 1.00 0.00 O ATOM 0 H GLY A 29 13.684 0.484 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.894 -1.443 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.916 -1.007 5.186 1.00 0.00 H new ATOM 436 N LYS A 30 12.879 -2.310 5.328 1.00 0.00 N ATOM 437 CA LYS A 30 12.020 -3.205 6.094 1.00 0.00 C ATOM 438 C LYS A 30 11.514 -4.359 5.244 1.00 0.00 C ATOM 439 O LYS A 30 11.314 -4.214 4.038 1.00 0.00 O ATOM 440 CB LYS A 30 10.816 -2.447 6.648 1.00 0.00 C ATOM 441 CG LYS A 30 11.107 -1.662 7.910 1.00 0.00 C ATOM 442 CD LYS A 30 12.321 -0.763 7.753 1.00 0.00 C ATOM 443 CE LYS A 30 12.514 0.122 8.973 1.00 0.00 C ATOM 444 NZ LYS A 30 11.478 1.187 9.059 1.00 0.00 N ATOM 0 H LYS A 30 12.460 -1.961 4.466 1.00 0.00 H new ATOM 0 HA LYS A 30 12.622 -3.602 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.448 -1.762 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.015 -3.158 6.852 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.238 -1.056 8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.272 -2.353 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.211 -1.373 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.204 -0.142 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.480 -0.490 9.874 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.502 0.580 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.574 1.692 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.603 1.857 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.533 0.757 9.001 1.00 0.00 H new ATOM 458 N GLU A 31 11.268 -5.493 5.888 1.00 0.00 N ATOM 459 CA GLU A 31 10.739 -6.649 5.190 1.00 0.00 C ATOM 460 C GLU A 31 9.235 -6.480 5.040 1.00 0.00 C ATOM 461 O GLU A 31 8.491 -6.560 6.016 1.00 0.00 O ATOM 462 CB GLU A 31 11.055 -7.935 5.957 1.00 0.00 C ATOM 463 CG GLU A 31 11.052 -9.180 5.085 1.00 0.00 C ATOM 464 CD GLU A 31 12.446 -9.596 4.658 1.00 0.00 C ATOM 465 OE1 GLU A 31 13.270 -9.905 5.543 1.00 0.00 O ATOM 466 OE2 GLU A 31 12.711 -9.614 3.438 1.00 0.00 O ATOM 0 H GLU A 31 11.426 -5.633 6.886 1.00 0.00 H new ATOM 0 HA GLU A 31 11.204 -6.724 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.032 -7.835 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.325 -8.060 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.583 -9.999 5.630 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.444 -8.997 4.199 1.00 0.00 H new ATOM 473 N GLY A 32 8.796 -6.216 3.818 1.00 0.00 N ATOM 474 CA GLY A 32 7.388 -6.008 3.571 1.00 0.00 C ATOM 475 C GLY A 32 6.975 -4.579 3.864 1.00 0.00 C ATOM 476 O GLY A 32 5.796 -4.302 4.091 1.00 0.00 O ATOM 0 H GLY A 32 9.392 -6.142 2.994 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.161 -6.247 2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.805 -6.690 4.190 1.00 0.00 H new ATOM 480 N ALA A 33 7.946 -3.663 3.854 1.00 0.00 N ATOM 481 CA ALA A 33 7.665 -2.260 4.115 1.00 0.00 C ATOM 482 C ALA A 33 6.439 -1.836 3.333 1.00 0.00 C ATOM 483 O ALA A 33 6.268 -2.232 2.178 1.00 0.00 O ATOM 484 CB ALA A 33 8.862 -1.396 3.764 1.00 0.00 C ATOM 0 H ALA A 33 8.927 -3.871 3.668 1.00 0.00 H new ATOM 0 HA ALA A 33 7.467 -2.128 5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.629 -0.351 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.719 -1.700 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.100 -1.516 2.707 1.00 0.00 H new ATOM 490 N PHE A 34 5.570 -1.068 3.974 1.00 0.00 N ATOM 491 CA PHE A 34 4.336 -0.640 3.336 1.00 0.00 C ATOM 492 C PHE A 34 4.147 0.868 3.343 1.00 0.00 C ATOM 493 O PHE A 34 4.595 1.567 4.245 1.00 0.00 O ATOM 494 CB PHE A 34 3.159 -1.294 4.036 1.00 0.00 C ATOM 495 CG PHE A 34 1.861 -0.601 3.755 1.00 0.00 C ATOM 496 CD1 PHE A 34 1.423 -0.458 2.457 1.00 0.00 C ATOM 497 CD2 PHE A 34 1.080 -0.096 4.773 1.00 0.00 C ATOM 498 CE1 PHE A 34 0.234 0.181 2.176 1.00 0.00 C ATOM 499 CE2 PHE A 34 -0.100 0.538 4.500 1.00 0.00 C ATOM 500 CZ PHE A 34 -0.528 0.683 3.203 1.00 0.00 C ATOM 0 H PHE A 34 5.696 -0.731 4.928 1.00 0.00 H new ATOM 0 HA PHE A 34 4.395 -0.948 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.086 -2.335 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.338 -1.299 5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.020 -0.852 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.404 -0.203 5.798 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.097 0.286 1.153 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.700 0.927 5.309 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.458 1.189 2.992 1.00 0.00 H new ATOM 510 N MET A 35 3.455 1.352 2.322 1.00 0.00 N ATOM 511 CA MET A 35 3.160 2.773 2.188 1.00 0.00 C ATOM 512 C MET A 35 1.975 2.964 1.241 1.00 0.00 C ATOM 513 O MET A 35 1.638 2.055 0.489 1.00 0.00 O ATOM 514 CB MET A 35 4.395 3.521 1.686 1.00 0.00 C ATOM 515 CG MET A 35 4.080 4.803 0.944 1.00 0.00 C ATOM 516 SD MET A 35 5.564 5.701 0.467 1.00 0.00 S ATOM 517 CE MET A 35 5.963 6.470 2.030 1.00 0.00 C ATOM 0 H MET A 35 3.084 0.776 1.567 1.00 0.00 H new ATOM 0 HA MET A 35 2.892 3.183 3.162 1.00 0.00 H new ATOM 0 HB2 MET A 35 5.037 3.754 2.536 1.00 0.00 H new ATOM 0 HB3 MET A 35 4.963 2.863 1.028 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.497 4.570 0.053 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.459 5.441 1.573 1.00 0.00 H new ATOM 0 HE1 MET A 35 5.958 7.554 1.914 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.224 6.181 2.777 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.952 6.145 2.354 1.00 0.00 H new ATOM 527 N VAL A 36 1.329 4.128 1.286 1.00 0.00 N ATOM 528 CA VAL A 36 0.177 4.373 0.417 1.00 0.00 C ATOM 529 C VAL A 36 0.191 5.768 -0.178 1.00 0.00 C ATOM 530 O VAL A 36 0.721 6.706 0.415 1.00 0.00 O ATOM 531 CB VAL A 36 -1.159 4.162 1.146 1.00 0.00 C ATOM 532 CG1 VAL A 36 -2.332 4.444 0.220 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.233 2.752 1.690 1.00 0.00 C ATOM 0 H VAL A 36 1.576 4.903 1.901 1.00 0.00 H new ATOM 0 HA VAL A 36 0.264 3.642 -0.387 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.216 4.863 1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.267 4.288 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.281 5.476 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.290 3.771 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.183 2.610 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.156 2.040 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.413 2.588 2.389 1.00 0.00 H new ATOM 543 N ARG A 37 -0.397 5.892 -1.360 1.00 0.00 N ATOM 544 CA ARG A 37 -0.455 7.170 -2.046 1.00 0.00 C ATOM 545 C ARG A 37 -1.728 7.292 -2.878 1.00 0.00 C ATOM 546 O ARG A 37 -2.001 6.468 -3.749 1.00 0.00 O ATOM 547 CB ARG A 37 0.796 7.335 -2.909 1.00 0.00 C ATOM 548 CG ARG A 37 0.571 7.132 -4.396 1.00 0.00 C ATOM 549 CD ARG A 37 1.708 6.328 -5.005 1.00 0.00 C ATOM 550 NE ARG A 37 1.705 6.388 -6.464 1.00 0.00 N ATOM 551 CZ ARG A 37 2.433 5.586 -7.234 1.00 0.00 C ATOM 552 NH1 ARG A 37 3.216 4.668 -6.684 1.00 0.00 N ATOM 553 NH2 ARG A 37 2.377 5.700 -8.553 1.00 0.00 N ATOM 0 H ARG A 37 -0.840 5.122 -1.861 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.483 7.972 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.202 8.334 -2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.551 6.626 -2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.375 6.615 -4.559 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.495 8.099 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.659 6.705 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.628 5.289 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 37 1.112 7.083 -6.917 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.260 4.577 -5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.774 4.053 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.774 6.404 -8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.937 5.084 -9.142 1.00 0.00 H new ATOM 567 N ASP A 38 -2.513 8.324 -2.581 1.00 0.00 N ATOM 568 CA ASP A 38 -3.773 8.563 -3.275 1.00 0.00 C ATOM 569 C ASP A 38 -3.557 8.819 -4.762 1.00 0.00 C ATOM 570 O ASP A 38 -2.534 9.369 -5.170 1.00 0.00 O ATOM 571 CB ASP A 38 -4.508 9.747 -2.645 1.00 0.00 C ATOM 572 CG ASP A 38 -5.548 10.343 -3.575 1.00 0.00 C ATOM 573 OD1 ASP A 38 -6.677 9.812 -3.621 1.00 0.00 O ATOM 574 OD2 ASP A 38 -5.232 11.342 -4.255 1.00 0.00 O ATOM 0 H ASP A 38 -2.296 9.012 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.380 7.663 -3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.992 9.422 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.785 10.516 -2.372 1.00 0.00 H new ATOM 579 N SER A 39 -4.534 8.413 -5.567 1.00 0.00 N ATOM 580 CA SER A 39 -4.468 8.590 -7.012 1.00 0.00 C ATOM 581 C SER A 39 -5.744 9.246 -7.537 1.00 0.00 C ATOM 582 O SER A 39 -6.176 10.279 -7.027 1.00 0.00 O ATOM 583 CB SER A 39 -4.257 7.239 -7.693 1.00 0.00 C ATOM 584 OG SER A 39 -2.978 6.709 -7.388 1.00 0.00 O ATOM 0 H SER A 39 -5.385 7.957 -5.240 1.00 0.00 H new ATOM 0 HA SER A 39 -3.626 9.244 -7.241 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.030 6.541 -7.371 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.359 7.352 -8.772 1.00 0.00 H new ATOM 0 HG SER A 39 -2.860 5.853 -7.851 1.00 0.00 H new ATOM 590 N ARG A 40 -6.341 8.637 -8.557 1.00 0.00 N ATOM 591 CA ARG A 40 -7.569 9.158 -9.149 1.00 0.00 C ATOM 592 C ARG A 40 -8.745 8.235 -8.848 1.00 0.00 C ATOM 593 O ARG A 40 -8.941 7.821 -7.706 1.00 0.00 O ATOM 594 CB ARG A 40 -7.404 9.319 -10.662 1.00 0.00 C ATOM 595 CG ARG A 40 -6.250 10.227 -11.054 1.00 0.00 C ATOM 596 CD ARG A 40 -6.302 11.550 -10.307 1.00 0.00 C ATOM 597 NE ARG A 40 -5.209 11.679 -9.347 1.00 0.00 N ATOM 598 CZ ARG A 40 -4.076 12.324 -9.604 1.00 0.00 C ATOM 599 NH1 ARG A 40 -3.889 12.895 -10.786 1.00 0.00 N ATOM 600 NH2 ARG A 40 -3.129 12.399 -8.679 1.00 0.00 N ATOM 0 H ARG A 40 -5.994 7.782 -8.991 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.772 10.135 -8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.251 8.337 -11.109 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.328 9.719 -11.080 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.305 9.727 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.281 10.413 -12.128 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.256 12.372 -11.021 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.255 11.634 -9.785 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.322 11.250 -8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.616 12.840 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.019 13.390 -10.981 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.270 11.961 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.260 12.894 -8.878 1.00 0.00 H new ATOM 614 N THR A 41 -9.522 7.909 -9.877 1.00 0.00 N ATOM 615 CA THR A 41 -10.671 7.027 -9.709 1.00 0.00 C ATOM 616 C THR A 41 -11.527 7.486 -8.526 1.00 0.00 C ATOM 617 O THR A 41 -11.253 8.525 -7.926 1.00 0.00 O ATOM 618 CB THR A 41 -10.184 5.591 -9.502 1.00 0.00 C ATOM 619 OG1 THR A 41 -10.914 4.687 -10.312 1.00 0.00 O ATOM 620 CG2 THR A 41 -10.287 5.120 -8.067 1.00 0.00 C ATOM 0 H THR A 41 -9.378 8.241 -10.831 1.00 0.00 H new ATOM 0 HA THR A 41 -11.290 7.065 -10.606 1.00 0.00 H new ATOM 0 HB THR A 41 -9.131 5.604 -9.783 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.959 3.814 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.925 4.095 -7.994 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.683 5.765 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.327 5.161 -7.744 1.00 0.00 H new ATOM 628 N PRO A 42 -12.582 6.727 -8.176 1.00 0.00 N ATOM 629 CA PRO A 42 -13.480 7.067 -7.067 1.00 0.00 C ATOM 630 C PRO A 42 -12.745 7.503 -5.796 1.00 0.00 C ATOM 631 O PRO A 42 -13.368 7.689 -4.750 1.00 0.00 O ATOM 632 CB PRO A 42 -14.263 5.769 -6.811 1.00 0.00 C ATOM 633 CG PRO A 42 -13.669 4.738 -7.717 1.00 0.00 C ATOM 634 CD PRO A 42 -13.001 5.486 -8.833 1.00 0.00 C ATOM 0 HA PRO A 42 -14.108 7.920 -7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.181 5.464 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -15.324 5.907 -7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.950 4.118 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.440 4.071 -8.104 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.153 4.936 -9.240 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.684 5.676 -9.661 1.00 0.00 H new ATOM 642 N GLY A 43 -11.429 7.679 -5.885 1.00 0.00 N ATOM 643 CA GLY A 43 -10.661 8.106 -4.729 1.00 0.00 C ATOM 644 C GLY A 43 -9.712 7.044 -4.218 1.00 0.00 C ATOM 645 O GLY A 43 -9.214 7.135 -3.097 1.00 0.00 O ATOM 0 H GLY A 43 -10.883 7.534 -6.734 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.091 8.998 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.346 8.387 -3.929 1.00 0.00 H new ATOM 649 N THR A 44 -9.457 6.042 -5.042 1.00 0.00 N ATOM 650 CA THR A 44 -8.555 4.962 -4.674 1.00 0.00 C ATOM 651 C THR A 44 -7.262 5.507 -4.079 1.00 0.00 C ATOM 652 O THR A 44 -7.000 6.708 -4.121 1.00 0.00 O ATOM 653 CB THR A 44 -8.218 4.119 -5.902 1.00 0.00 C ATOM 654 OG1 THR A 44 -7.197 3.184 -5.607 1.00 0.00 O ATOM 655 CG2 THR A 44 -7.745 4.947 -7.075 1.00 0.00 C ATOM 0 H THR A 44 -9.863 5.953 -5.973 1.00 0.00 H new ATOM 0 HA THR A 44 -9.058 4.348 -3.927 1.00 0.00 H new ATOM 0 HB THR A 44 -9.147 3.617 -6.172 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.564 2.462 -5.055 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.521 4.291 -7.917 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.526 5.651 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.846 5.496 -6.794 1.00 0.00 H new ATOM 663 N TYR A 45 -6.453 4.604 -3.544 1.00 0.00 N ATOM 664 CA TYR A 45 -5.171 4.963 -2.956 1.00 0.00 C ATOM 665 C TYR A 45 -4.084 4.018 -3.448 1.00 0.00 C ATOM 666 O TYR A 45 -4.373 2.904 -3.886 1.00 0.00 O ATOM 667 CB TYR A 45 -5.239 4.894 -1.432 1.00 0.00 C ATOM 668 CG TYR A 45 -6.408 5.631 -0.835 1.00 0.00 C ATOM 669 CD1 TYR A 45 -7.701 5.176 -1.030 1.00 0.00 C ATOM 670 CD2 TYR A 45 -6.217 6.772 -0.071 1.00 0.00 C ATOM 671 CE1 TYR A 45 -8.779 5.836 -0.479 1.00 0.00 C ATOM 672 CE2 TYR A 45 -7.290 7.443 0.485 1.00 0.00 C ATOM 673 CZ TYR A 45 -8.570 6.970 0.279 1.00 0.00 C ATOM 674 OH TYR A 45 -9.642 7.633 0.831 1.00 0.00 O ATOM 0 H TYR A 45 -6.665 3.607 -3.505 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.935 5.983 -3.259 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.289 3.848 -1.128 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.317 5.302 -1.019 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.868 4.289 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.216 7.142 0.092 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.781 5.467 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.128 8.332 1.077 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.322 8.410 1.335 1.00 0.00 H new ATOM 684 N THR A 46 -2.835 4.447 -3.361 1.00 0.00 N ATOM 685 CA THR A 46 -1.720 3.610 -3.780 1.00 0.00 C ATOM 686 C THR A 46 -1.042 3.015 -2.555 1.00 0.00 C ATOM 687 O THR A 46 -1.067 3.614 -1.486 1.00 0.00 O ATOM 688 CB THR A 46 -0.710 4.409 -4.597 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.366 5.216 -5.560 1.00 0.00 O ATOM 690 CG2 THR A 46 0.276 3.527 -5.326 1.00 0.00 C ATOM 0 H THR A 46 -2.568 5.365 -3.006 1.00 0.00 H new ATOM 0 HA THR A 46 -2.107 2.809 -4.410 1.00 0.00 H new ATOM 0 HB THR A 46 -0.169 5.026 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.908 5.893 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.971 4.148 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.830 2.927 -4.604 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.261 2.869 -6.009 1.00 0.00 H new ATOM 698 N VAL A 47 -0.443 1.838 -2.705 1.00 0.00 N ATOM 699 CA VAL A 47 0.222 1.189 -1.585 1.00 0.00 C ATOM 700 C VAL A 47 1.632 0.754 -1.939 1.00 0.00 C ATOM 701 O VAL A 47 1.828 -0.177 -2.718 1.00 0.00 O ATOM 702 CB VAL A 47 -0.552 -0.049 -1.094 1.00 0.00 C ATOM 703 CG1 VAL A 47 0.356 -0.941 -0.252 1.00 0.00 C ATOM 704 CG2 VAL A 47 -1.789 0.364 -0.312 1.00 0.00 C ATOM 0 H VAL A 47 -0.405 1.320 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 47 0.257 1.936 -0.792 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.882 -0.619 -1.962 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.204 -1.812 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.205 -1.267 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.717 -0.382 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.320 -0.526 0.025 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.492 0.958 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.443 0.956 -0.952 1.00 0.00 H new ATOM 714 N SER A 48 2.613 1.402 -1.330 1.00 0.00 N ATOM 715 CA SER A 48 4.000 1.041 -1.556 1.00 0.00 C ATOM 716 C SER A 48 4.381 -0.063 -0.583 1.00 0.00 C ATOM 717 O SER A 48 4.291 0.111 0.638 1.00 0.00 O ATOM 718 CB SER A 48 4.942 2.239 -1.385 1.00 0.00 C ATOM 719 OG SER A 48 6.277 1.879 -1.694 1.00 0.00 O ATOM 0 H SER A 48 2.474 2.176 -0.680 1.00 0.00 H new ATOM 0 HA SER A 48 4.103 0.697 -2.585 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.621 3.055 -2.033 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.888 2.606 -0.360 1.00 0.00 H new ATOM 0 HG SER A 48 6.284 1.286 -2.474 1.00 0.00 H new ATOM 725 N VAL A 49 4.784 -1.201 -1.129 1.00 0.00 N ATOM 726 CA VAL A 49 5.168 -2.347 -0.324 1.00 0.00 C ATOM 727 C VAL A 49 6.516 -2.880 -0.781 1.00 0.00 C ATOM 728 O VAL A 49 6.703 -3.164 -1.964 1.00 0.00 O ATOM 729 CB VAL A 49 4.122 -3.472 -0.425 1.00 0.00 C ATOM 730 CG1 VAL A 49 2.854 -3.093 0.326 1.00 0.00 C ATOM 731 CG2 VAL A 49 3.814 -3.782 -1.884 1.00 0.00 C ATOM 0 H VAL A 49 4.853 -1.354 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 49 5.232 -2.018 0.713 1.00 0.00 H new ATOM 0 HB VAL A 49 4.534 -4.370 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.127 -3.901 0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.090 -2.924 1.377 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.436 -2.182 -0.103 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.073 -4.579 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.422 -2.889 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.726 -4.100 -2.389 1.00 0.00 H new ATOM 741 N PHE A 50 7.465 -3.003 0.143 1.00 0.00 N ATOM 742 CA PHE A 50 8.785 -3.492 -0.231 1.00 0.00 C ATOM 743 C PHE A 50 9.403 -4.403 0.826 1.00 0.00 C ATOM 744 O PHE A 50 9.246 -4.196 2.038 1.00 0.00 O ATOM 745 CB PHE A 50 9.707 -2.316 -0.564 1.00 0.00 C ATOM 746 CG PHE A 50 10.695 -1.946 0.504 1.00 0.00 C ATOM 747 CD1 PHE A 50 10.313 -1.165 1.579 1.00 0.00 C ATOM 748 CD2 PHE A 50 12.017 -2.346 0.407 1.00 0.00 C ATOM 749 CE1 PHE A 50 11.230 -0.788 2.540 1.00 0.00 C ATOM 750 CE2 PHE A 50 12.938 -1.978 1.367 1.00 0.00 C ATOM 751 CZ PHE A 50 12.545 -1.196 2.434 1.00 0.00 C ATOM 0 H PHE A 50 7.349 -2.777 1.131 1.00 0.00 H new ATOM 0 HA PHE A 50 8.662 -4.109 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 50 10.256 -2.554 -1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.090 -1.444 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.285 -0.846 1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.331 -2.953 -0.429 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.919 -0.175 3.373 1.00 0.00 H new ATOM 0 HE2 PHE A 50 13.965 -2.302 1.283 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.264 -0.904 3.185 1.00 0.00 H new ATOM 761 N THR A 51 10.103 -5.425 0.329 1.00 0.00 N ATOM 762 CA THR A 51 10.764 -6.413 1.172 1.00 0.00 C ATOM 763 C THR A 51 12.138 -6.762 0.622 1.00 0.00 C ATOM 764 O THR A 51 12.253 -7.535 -0.330 1.00 0.00 O ATOM 765 CB THR A 51 9.925 -7.686 1.232 1.00 0.00 C ATOM 766 OG1 THR A 51 8.804 -7.522 2.080 1.00 0.00 O ATOM 767 CG2 THR A 51 10.705 -8.887 1.718 1.00 0.00 C ATOM 0 H THR A 51 10.225 -5.588 -0.671 1.00 0.00 H new ATOM 0 HA THR A 51 10.874 -5.986 2.169 1.00 0.00 H new ATOM 0 HB THR A 51 9.606 -7.868 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.903 -8.097 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.053 -9.760 1.738 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.542 -9.074 1.045 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.083 -8.693 2.722 1.00 0.00 H new ATOM 775 N LYS A 52 13.181 -6.209 1.225 1.00 0.00 N ATOM 776 CA LYS A 52 14.530 -6.497 0.782 1.00 0.00 C ATOM 777 C LYS A 52 14.574 -7.876 0.137 1.00 0.00 C ATOM 778 O LYS A 52 14.482 -8.900 0.814 1.00 0.00 O ATOM 779 CB LYS A 52 15.507 -6.434 1.958 1.00 0.00 C ATOM 780 CG LYS A 52 15.960 -5.023 2.297 1.00 0.00 C ATOM 781 CD LYS A 52 16.665 -4.973 3.643 1.00 0.00 C ATOM 782 CE LYS A 52 18.126 -5.376 3.523 1.00 0.00 C ATOM 783 NZ LYS A 52 18.538 -5.552 2.102 1.00 0.00 N ATOM 0 H LYS A 52 13.117 -5.565 2.014 1.00 0.00 H new ATOM 0 HA LYS A 52 14.827 -5.747 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.035 -6.876 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.382 -7.042 1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.631 -4.659 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.098 -4.356 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.597 -3.965 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.160 -5.637 4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 52 18.752 -4.616 3.991 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.292 -6.306 4.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.559 -5.743 2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.018 -6.351 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.325 -4.685 1.569 1.00 0.00 H new ATOM 797 N ALA A 53 14.701 -7.883 -1.182 1.00 0.00 N ATOM 798 CA ALA A 53 14.743 -9.125 -1.934 1.00 0.00 C ATOM 799 C ALA A 53 15.524 -8.977 -3.237 1.00 0.00 C ATOM 800 O ALA A 53 16.731 -9.216 -3.273 1.00 0.00 O ATOM 801 CB ALA A 53 13.324 -9.597 -2.199 1.00 0.00 C ATOM 0 H ALA A 53 14.777 -7.041 -1.752 1.00 0.00 H new ATOM 0 HA ALA A 53 15.269 -9.872 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.350 -10.529 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.812 -9.761 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.790 -8.840 -2.773 1.00 0.00 H new ATOM 807 N ILE A 54 14.832 -8.589 -4.306 1.00 0.00 N ATOM 808 CA ILE A 54 15.465 -8.420 -5.612 1.00 0.00 C ATOM 809 C ILE A 54 16.851 -9.059 -5.644 1.00 0.00 C ATOM 810 O ILE A 54 17.780 -8.585 -4.990 1.00 0.00 O ATOM 811 CB ILE A 54 15.589 -6.933 -5.993 1.00 0.00 C ATOM 812 CG1 ILE A 54 14.256 -6.405 -6.519 1.00 0.00 C ATOM 813 CG2 ILE A 54 16.683 -6.746 -7.032 1.00 0.00 C ATOM 814 CD1 ILE A 54 13.167 -6.367 -5.472 1.00 0.00 C ATOM 0 H ILE A 54 13.833 -8.386 -4.293 1.00 0.00 H new ATOM 0 HA ILE A 54 14.822 -8.920 -6.336 1.00 0.00 H new ATOM 0 HB ILE A 54 15.856 -6.365 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 54 14.403 -5.400 -6.915 1.00 0.00 H new ATOM 0 HG13 ILE A 54 13.929 -7.030 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 54 16.761 -5.691 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.634 -7.090 -6.625 1.00 0.00 H new ATOM 0 HG23 ILE A 54 16.440 -7.323 -7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.249 -5.982 -5.916 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.992 -7.374 -5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 54 13.474 -5.718 -4.652 1.00 0.00 H new ATOM 826 N ILE A 55 16.980 -10.139 -6.408 1.00 0.00 N ATOM 827 CA ILE A 55 18.251 -10.847 -6.523 1.00 0.00 C ATOM 828 C ILE A 55 19.377 -9.912 -6.951 1.00 0.00 C ATOM 829 O ILE A 55 20.340 -9.707 -6.210 1.00 0.00 O ATOM 830 CB ILE A 55 18.152 -12.010 -7.531 1.00 0.00 C ATOM 831 CG1 ILE A 55 18.303 -13.351 -6.812 1.00 0.00 C ATOM 832 CG2 ILE A 55 19.206 -11.866 -8.619 1.00 0.00 C ATOM 833 CD1 ILE A 55 17.377 -13.508 -5.624 1.00 0.00 C ATOM 0 H ILE A 55 16.221 -10.543 -6.956 1.00 0.00 H new ATOM 0 HA ILE A 55 18.478 -11.245 -5.534 1.00 0.00 H new ATOM 0 HB ILE A 55 17.169 -11.978 -8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 55 18.112 -14.157 -7.520 1.00 0.00 H new ATOM 0 HG13 ILE A 55 19.334 -13.460 -6.476 1.00 0.00 H new ATOM 0 HG21 ILE A 55 19.120 -12.696 -9.321 1.00 0.00 H new ATOM 0 HG22 ILE A 55 19.056 -10.926 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 55 20.198 -11.873 -8.168 1.00 0.00 H new ATOM 0 HD11 ILE A 55 17.539 -14.482 -5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.583 -12.723 -4.896 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.342 -13.432 -5.957 1.00 0.00 H new ATOM 845 N SER A 56 19.256 -9.349 -8.149 1.00 0.00 N ATOM 846 CA SER A 56 20.271 -8.439 -8.672 1.00 0.00 C ATOM 847 C SER A 56 20.341 -7.161 -7.841 1.00 0.00 C ATOM 848 O SER A 56 21.384 -6.832 -7.277 1.00 0.00 O ATOM 849 CB SER A 56 19.974 -8.095 -10.132 1.00 0.00 C ATOM 850 OG SER A 56 18.645 -8.445 -10.479 1.00 0.00 O ATOM 0 H SER A 56 18.467 -9.506 -8.776 1.00 0.00 H new ATOM 0 HA SER A 56 21.236 -8.942 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.127 -7.028 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.673 -8.621 -10.782 1.00 0.00 H new ATOM 0 HG SER A 56 18.610 -9.393 -10.726 1.00 0.00 H new ATOM 856 N GLU A 57 19.222 -6.449 -7.768 1.00 0.00 N ATOM 857 CA GLU A 57 19.154 -5.209 -7.005 1.00 0.00 C ATOM 858 C GLU A 57 18.460 -5.437 -5.666 1.00 0.00 C ATOM 859 O GLU A 57 18.464 -6.548 -5.138 1.00 0.00 O ATOM 860 CB GLU A 57 18.412 -4.135 -7.800 1.00 0.00 C ATOM 861 CG GLU A 57 17.679 -4.689 -9.003 1.00 0.00 C ATOM 862 CD GLU A 57 17.491 -3.658 -10.100 1.00 0.00 C ATOM 863 OE1 GLU A 57 18.238 -2.658 -10.108 1.00 0.00 O ATOM 864 OE2 GLU A 57 16.597 -3.853 -10.950 1.00 0.00 O ATOM 0 H GLU A 57 18.350 -6.710 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 57 20.173 -4.870 -6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.698 -3.635 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 57 19.124 -3.380 -8.132 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.233 -5.540 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.704 -5.062 -8.689 1.00 0.00 H new ATOM 871 N ASN A 58 17.864 -4.380 -5.127 1.00 0.00 N ATOM 872 CA ASN A 58 17.160 -4.467 -3.855 1.00 0.00 C ATOM 873 C ASN A 58 17.402 -3.216 -3.017 1.00 0.00 C ATOM 874 O ASN A 58 18.307 -2.433 -3.306 1.00 0.00 O ATOM 875 CB ASN A 58 17.613 -5.708 -3.081 1.00 0.00 C ATOM 876 CG ASN A 58 19.122 -5.796 -2.960 1.00 0.00 C ATOM 877 OD1 ASN A 58 19.854 -5.170 -3.727 1.00 0.00 O ATOM 878 ND2 ASN A 58 19.593 -6.576 -1.995 1.00 0.00 N ATOM 0 H ASN A 58 17.855 -3.453 -5.552 1.00 0.00 H new ATOM 0 HA ASN A 58 16.093 -4.546 -4.062 1.00 0.00 H new ATOM 0 HB2 ASN A 58 17.172 -5.692 -2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 58 17.239 -6.601 -3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 58 20.600 -6.676 -1.865 1.00 0.00 H new ATOM 0 HD22 ASN A 58 18.948 -7.076 -1.383 1.00 0.00 H new ATOM 885 N PRO A 59 16.592 -3.004 -1.967 1.00 0.00 N ATOM 886 CA PRO A 59 15.501 -3.916 -1.592 1.00 0.00 C ATOM 887 C PRO A 59 14.426 -4.036 -2.672 1.00 0.00 C ATOM 888 O PRO A 59 14.581 -3.524 -3.781 1.00 0.00 O ATOM 889 CB PRO A 59 14.910 -3.277 -0.330 1.00 0.00 C ATOM 890 CG PRO A 59 15.957 -2.339 0.165 1.00 0.00 C ATOM 891 CD PRO A 59 16.685 -1.856 -1.055 1.00 0.00 C ATOM 0 HA PRO A 59 15.869 -4.932 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.983 -2.749 -0.554 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.673 -4.033 0.419 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.510 -1.507 0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.637 -2.841 0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.220 -0.965 -1.477 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.721 -1.599 -0.833 1.00 0.00 H new ATOM 899 N CYS A 60 13.336 -4.722 -2.334 1.00 0.00 N ATOM 900 CA CYS A 60 12.229 -4.926 -3.265 1.00 0.00 C ATOM 901 C CYS A 60 11.026 -4.061 -2.903 1.00 0.00 C ATOM 902 O CYS A 60 10.399 -4.269 -1.865 1.00 0.00 O ATOM 903 CB CYS A 60 11.805 -6.395 -3.258 1.00 0.00 C ATOM 904 SG CYS A 60 10.610 -6.827 -4.545 1.00 0.00 S ATOM 0 H CYS A 60 13.196 -5.148 -1.418 1.00 0.00 H new ATOM 0 HA CYS A 60 12.577 -4.639 -4.257 1.00 0.00 H new ATOM 0 HB2 CYS A 60 12.691 -7.018 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 60 11.376 -6.633 -2.285 1.00 0.00 H new ATOM 0 HG CYS A 60 10.363 -5.781 -5.276 1.00 0.00 H new ATOM 910 N ILE A 61 10.695 -3.105 -3.768 1.00 0.00 N ATOM 911 CA ILE A 61 9.551 -2.230 -3.528 1.00 0.00 C ATOM 912 C ILE A 61 8.474 -2.426 -4.584 1.00 0.00 C ATOM 913 O ILE A 61 8.765 -2.555 -5.773 1.00 0.00 O ATOM 914 CB ILE A 61 9.943 -0.738 -3.510 1.00 0.00 C ATOM 915 CG1 ILE A 61 11.433 -0.576 -3.208 1.00 0.00 C ATOM 916 CG2 ILE A 61 9.097 0.023 -2.493 1.00 0.00 C ATOM 917 CD1 ILE A 61 11.854 -1.189 -1.893 1.00 0.00 C ATOM 0 H ILE A 61 11.199 -2.918 -4.635 1.00 0.00 H new ATOM 0 HA ILE A 61 9.169 -2.507 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 61 9.751 -0.318 -4.497 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.010 -1.032 -4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.680 0.486 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.386 1.074 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.043 -0.063 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.256 -0.397 -1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 61 12.923 -1.036 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 61 11.304 -0.717 -1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 61 11.639 -2.258 -1.904 1.00 0.00 H new ATOM 929 N LYS A 62 7.225 -2.435 -4.136 1.00 0.00 N ATOM 930 CA LYS A 62 6.092 -2.599 -5.033 1.00 0.00 C ATOM 931 C LYS A 62 4.999 -1.601 -4.688 1.00 0.00 C ATOM 932 O LYS A 62 4.738 -1.336 -3.515 1.00 0.00 O ATOM 933 CB LYS A 62 5.533 -4.015 -4.941 1.00 0.00 C ATOM 934 CG LYS A 62 4.851 -4.480 -6.217 1.00 0.00 C ATOM 935 CD LYS A 62 5.016 -5.977 -6.424 1.00 0.00 C ATOM 936 CE LYS A 62 4.261 -6.455 -7.655 1.00 0.00 C ATOM 937 NZ LYS A 62 2.792 -6.259 -7.517 1.00 0.00 N ATOM 0 H LYS A 62 6.972 -2.330 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 62 6.437 -2.420 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.344 -4.703 -4.700 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.819 -4.063 -4.118 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.790 -4.232 -6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.269 -3.946 -7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.074 -6.217 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.654 -6.509 -5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.618 -5.915 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.472 -7.511 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.293 -6.916 -8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.508 -6.444 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.547 -5.280 -7.770 1.00 0.00 H new ATOM 951 N HIS A 63 4.357 -1.054 -5.709 1.00 0.00 N ATOM 952 CA HIS A 63 3.293 -0.094 -5.492 1.00 0.00 C ATOM 953 C HIS A 63 1.942 -0.700 -5.842 1.00 0.00 C ATOM 954 O HIS A 63 1.628 -0.917 -7.012 1.00 0.00 O ATOM 955 CB HIS A 63 3.540 1.157 -6.333 1.00 0.00 C ATOM 956 CG HIS A 63 4.750 1.930 -5.909 1.00 0.00 C ATOM 957 ND1 HIS A 63 5.002 2.308 -4.609 1.00 0.00 N ATOM 958 CD2 HIS A 63 5.793 2.392 -6.643 1.00 0.00 C ATOM 959 CE1 HIS A 63 6.165 2.973 -4.593 1.00 0.00 C ATOM 960 NE2 HIS A 63 6.685 3.052 -5.803 1.00 0.00 N ATOM 0 H HIS A 63 4.554 -1.258 -6.689 1.00 0.00 H new ATOM 0 HA HIS A 63 3.284 0.180 -4.437 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.651 0.867 -7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.665 1.804 -6.273 1.00 0.00 H new ATOM 0 HD2 HIS A 63 5.912 2.268 -7.709 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.618 3.390 -3.706 1.00 0.00 H new ATOM 0 HE2 HIS A 63 7.560 3.504 -6.068 1.00 0.00 H new ATOM 968 N TYR A 64 1.150 -0.970 -4.815 1.00 0.00 N ATOM 969 CA TYR A 64 -0.170 -1.553 -4.997 1.00 0.00 C ATOM 970 C TYR A 64 -1.259 -0.512 -4.818 1.00 0.00 C ATOM 971 O TYR A 64 -1.337 0.146 -3.781 1.00 0.00 O ATOM 972 CB TYR A 64 -0.375 -2.690 -4.009 1.00 0.00 C ATOM 973 CG TYR A 64 0.459 -3.883 -4.357 1.00 0.00 C ATOM 974 CD1 TYR A 64 1.828 -3.858 -4.164 1.00 0.00 C ATOM 975 CD2 TYR A 64 -0.111 -5.022 -4.902 1.00 0.00 C ATOM 976 CE1 TYR A 64 2.610 -4.934 -4.501 1.00 0.00 C ATOM 977 CE2 TYR A 64 0.665 -6.110 -5.242 1.00 0.00 C ATOM 978 CZ TYR A 64 2.028 -6.062 -5.041 1.00 0.00 C ATOM 979 OH TYR A 64 2.809 -7.143 -5.380 1.00 0.00 O ATOM 0 H TYR A 64 1.401 -0.793 -3.842 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.233 -1.939 -6.014 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.122 -2.350 -3.005 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.427 -2.974 -3.994 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.289 -2.978 -3.741 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.178 -5.058 -5.063 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.678 -4.898 -4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.208 -6.994 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 64 2.238 -7.872 -5.701 1.00 0.00 H new ATOM 989 N HIS A 65 -2.110 -0.371 -5.825 1.00 0.00 N ATOM 990 CA HIS A 65 -3.199 0.584 -5.748 1.00 0.00 C ATOM 991 C HIS A 65 -4.425 -0.062 -5.146 1.00 0.00 C ATOM 992 O HIS A 65 -4.699 -1.240 -5.376 1.00 0.00 O ATOM 993 CB HIS A 65 -3.549 1.165 -7.111 1.00 0.00 C ATOM 994 CG HIS A 65 -3.748 2.635 -7.063 1.00 0.00 C ATOM 995 ND1 HIS A 65 -3.676 3.371 -5.913 1.00 0.00 N ATOM 996 CD2 HIS A 65 -4.035 3.504 -8.049 1.00 0.00 C ATOM 997 CE1 HIS A 65 -3.921 4.645 -6.227 1.00 0.00 C ATOM 998 NE2 HIS A 65 -4.144 4.782 -7.516 1.00 0.00 N ATOM 0 H HIS A 65 -2.066 -0.901 -6.695 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.862 1.401 -5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.753 0.931 -7.818 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.456 0.690 -7.484 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -3.471 3.011 -4.981 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.161 3.248 -9.091 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.934 5.457 -5.515 1.00 0.00 H new ATOM 1006 N ILE A 66 -5.163 0.715 -4.380 1.00 0.00 N ATOM 1007 CA ILE A 66 -6.369 0.206 -3.751 1.00 0.00 C ATOM 1008 C ILE A 66 -7.570 0.443 -4.650 1.00 0.00 C ATOM 1009 O ILE A 66 -8.059 1.563 -4.763 1.00 0.00 O ATOM 1010 CB ILE A 66 -6.620 0.871 -2.382 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -5.436 1.756 -2.000 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -6.863 -0.183 -1.314 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -4.093 1.079 -2.173 1.00 0.00 C ATOM 0 H ILE A 66 -4.954 1.693 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.229 -0.863 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.511 1.495 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.458 2.661 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.546 2.067 -0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.038 0.304 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.735 -0.779 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.990 -0.831 -1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.299 1.767 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.050 0.189 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.962 0.793 -3.216 1.00 0.00 H new ATOM 1025 N LYS A 67 -8.047 -0.622 -5.278 1.00 0.00 N ATOM 1026 CA LYS A 67 -9.198 -0.530 -6.157 1.00 0.00 C ATOM 1027 C LYS A 67 -10.450 -0.285 -5.332 1.00 0.00 C ATOM 1028 O LYS A 67 -10.562 -0.790 -4.215 1.00 0.00 O ATOM 1029 CB LYS A 67 -9.348 -1.812 -6.977 1.00 0.00 C ATOM 1030 CG LYS A 67 -10.409 -1.719 -8.063 1.00 0.00 C ATOM 1031 CD LYS A 67 -10.131 -0.566 -9.015 1.00 0.00 C ATOM 1032 CE LYS A 67 -8.640 -0.297 -9.144 1.00 0.00 C ATOM 1033 NZ LYS A 67 -7.986 -1.236 -10.096 1.00 0.00 N ATOM 0 H LYS A 67 -7.653 -1.559 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.053 0.302 -6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.390 -2.054 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.597 -2.635 -6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.442 -2.654 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.389 -1.586 -7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.547 -0.795 -9.996 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.634 0.332 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.484 0.728 -9.480 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.169 -0.386 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.971 -1.019 -10.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.112 -2.213 -9.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.417 -1.133 -11.037 1.00 0.00 H new ATOM 1047 N GLU A 68 -11.379 0.496 -5.882 1.00 0.00 N ATOM 1048 CA GLU A 68 -12.623 0.826 -5.191 1.00 0.00 C ATOM 1049 C GLU A 68 -13.818 0.238 -5.931 1.00 0.00 C ATOM 1050 O GLU A 68 -13.898 0.305 -7.158 1.00 0.00 O ATOM 1051 CB GLU A 68 -12.784 2.348 -5.090 1.00 0.00 C ATOM 1052 CG GLU A 68 -11.590 3.056 -4.468 1.00 0.00 C ATOM 1053 CD GLU A 68 -10.316 2.244 -4.560 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -9.848 2.002 -5.693 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -9.787 1.847 -3.500 1.00 0.00 O ATOM 0 H GLU A 68 -11.292 0.913 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.581 0.399 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.954 2.752 -6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.673 2.571 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.442 4.015 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.805 3.270 -3.421 1.00 0.00 H new ATOM 1062 N THR A 69 -14.745 -0.336 -5.175 1.00 0.00 N ATOM 1063 CA THR A 69 -15.940 -0.936 -5.751 1.00 0.00 C ATOM 1064 C THR A 69 -17.183 -0.490 -4.988 1.00 0.00 C ATOM 1065 O THR A 69 -17.115 -0.190 -3.797 1.00 0.00 O ATOM 1066 CB THR A 69 -15.833 -2.461 -5.725 1.00 0.00 C ATOM 1067 OG1 THR A 69 -16.846 -3.022 -4.909 1.00 0.00 O ATOM 1068 CG2 THR A 69 -14.500 -2.960 -5.210 1.00 0.00 C ATOM 0 H THR A 69 -14.691 -0.398 -4.158 1.00 0.00 H new ATOM 0 HA THR A 69 -16.026 -0.604 -6.786 1.00 0.00 H new ATOM 0 HB THR A 69 -15.943 -2.775 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.609 -2.903 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 69 -14.492 -4.050 -5.218 1.00 0.00 H new ATOM 0 HG22 THR A 69 -13.700 -2.586 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.347 -2.604 -4.191 1.00 0.00 H new ATOM 1076 N ASN A 70 -18.319 -0.447 -5.676 1.00 0.00 N ATOM 1077 CA ASN A 70 -19.571 -0.038 -5.049 1.00 0.00 C ATOM 1078 C ASN A 70 -19.893 -0.941 -3.862 1.00 0.00 C ATOM 1079 O ASN A 70 -20.899 -1.649 -3.864 1.00 0.00 O ATOM 1080 CB ASN A 70 -20.714 -0.081 -6.064 1.00 0.00 C ATOM 1081 CG ASN A 70 -21.745 1.003 -5.818 1.00 0.00 C ATOM 1082 OD1 ASN A 70 -21.813 1.990 -6.551 1.00 0.00 O ATOM 1083 ND2 ASN A 70 -22.555 0.825 -4.781 1.00 0.00 N ATOM 0 H ASN A 70 -18.399 -0.689 -6.664 1.00 0.00 H new ATOM 0 HA ASN A 70 -19.457 0.985 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -20.308 0.029 -7.070 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -21.199 -1.056 -6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -23.269 1.521 -4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -22.464 -0.008 -4.200 1.00 0.00 H new ATOM 1090 N ASP A 71 -19.027 -0.916 -2.853 1.00 0.00 N ATOM 1091 CA ASP A 71 -19.213 -1.739 -1.663 1.00 0.00 C ATOM 1092 C ASP A 71 -19.928 -3.036 -2.016 1.00 0.00 C ATOM 1093 O ASP A 71 -19.937 -3.452 -3.174 1.00 0.00 O ATOM 1094 CB ASP A 71 -19.997 -0.976 -0.596 1.00 0.00 C ATOM 1095 CG ASP A 71 -21.452 -1.398 -0.534 1.00 0.00 C ATOM 1096 OD1 ASP A 71 -22.203 -1.082 -1.481 1.00 0.00 O ATOM 1097 OD2 ASP A 71 -21.840 -2.046 0.461 1.00 0.00 O ATOM 0 H ASP A 71 -18.189 -0.334 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 71 -18.229 -1.982 -1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -19.533 -1.138 0.377 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -19.940 0.093 -0.802 1.00 0.00 H new ATOM 1102 N SER A 72 -20.525 -3.676 -1.014 1.00 0.00 N ATOM 1103 CA SER A 72 -21.238 -4.930 -1.229 1.00 0.00 C ATOM 1104 C SER A 72 -21.011 -5.435 -2.649 1.00 0.00 C ATOM 1105 O SER A 72 -21.779 -5.124 -3.559 1.00 0.00 O ATOM 1106 CB SER A 72 -22.734 -4.741 -0.975 1.00 0.00 C ATOM 1107 OG SER A 72 -23.195 -5.624 0.032 1.00 0.00 O ATOM 0 H SER A 72 -20.529 -3.347 -0.048 1.00 0.00 H new ATOM 0 HA SER A 72 -20.852 -5.670 -0.528 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.928 -3.711 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.288 -4.915 -1.898 1.00 0.00 H new ATOM 0 HG SER A 72 -24.154 -5.483 0.177 1.00 0.00 H new ATOM 1113 N PRO A 73 -19.941 -6.218 -2.861 1.00 0.00 N ATOM 1114 CA PRO A 73 -19.005 -6.607 -1.799 1.00 0.00 C ATOM 1115 C PRO A 73 -18.501 -5.414 -0.985 1.00 0.00 C ATOM 1116 O PRO A 73 -19.125 -5.021 0.000 1.00 0.00 O ATOM 1117 CB PRO A 73 -17.848 -7.280 -2.557 1.00 0.00 C ATOM 1118 CG PRO A 73 -18.081 -6.980 -4.002 1.00 0.00 C ATOM 1119 CD PRO A 73 -19.561 -6.794 -4.153 1.00 0.00 C ATOM 0 HA PRO A 73 -19.481 -7.258 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -16.885 -6.891 -2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.836 -8.355 -2.378 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -17.542 -6.083 -4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -17.724 -7.795 -4.632 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -19.804 -6.128 -4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -20.072 -7.738 -4.342 1.00 0.00 H new ATOM 1127 N LYS A 74 -17.363 -4.851 -1.385 1.00 0.00 N ATOM 1128 CA LYS A 74 -16.788 -3.715 -0.672 1.00 0.00 C ATOM 1129 C LYS A 74 -16.299 -2.632 -1.635 1.00 0.00 C ATOM 1130 O LYS A 74 -16.744 -2.564 -2.779 1.00 0.00 O ATOM 1131 CB LYS A 74 -15.652 -4.189 0.230 1.00 0.00 C ATOM 1132 CG LYS A 74 -15.936 -5.529 0.883 1.00 0.00 C ATOM 1133 CD LYS A 74 -15.763 -6.673 -0.097 1.00 0.00 C ATOM 1134 CE LYS A 74 -14.331 -7.163 -0.109 1.00 0.00 C ATOM 1135 NZ LYS A 74 -14.110 -8.268 0.864 1.00 0.00 N ATOM 0 H LYS A 74 -16.824 -5.161 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.570 -3.270 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -14.736 -4.263 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -15.475 -3.443 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -15.266 -5.671 1.731 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -16.953 -5.535 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -16.429 -7.492 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -16.048 -6.347 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.074 -7.506 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.663 -6.335 0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.117 -8.573 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.330 -7.934 1.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.729 -9.069 0.626 1.00 0.00 H new ATOM 1149 N ARG A 75 -15.404 -1.768 -1.155 1.00 0.00 N ATOM 1150 CA ARG A 75 -14.891 -0.670 -1.973 1.00 0.00 C ATOM 1151 C ARG A 75 -13.459 -0.887 -2.440 1.00 0.00 C ATOM 1152 O ARG A 75 -13.221 -1.348 -3.556 1.00 0.00 O ATOM 1153 CB ARG A 75 -14.960 0.645 -1.204 1.00 0.00 C ATOM 1154 CG ARG A 75 -16.358 1.235 -1.130 1.00 0.00 C ATOM 1155 CD ARG A 75 -16.708 1.663 0.286 1.00 0.00 C ATOM 1156 NE ARG A 75 -16.818 0.523 1.191 1.00 0.00 N ATOM 1157 CZ ARG A 75 -17.725 0.436 2.160 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -18.595 1.419 2.346 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -17.761 -0.634 2.941 1.00 0.00 N ATOM 0 H ARG A 75 -15.022 -1.807 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.528 -0.634 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.589 0.484 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.295 1.368 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -16.428 2.093 -1.798 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -17.083 0.500 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.945 2.348 0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -17.650 2.211 0.277 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.163 -0.250 1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -18.569 2.243 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -19.290 1.351 3.089 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.093 -1.392 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -18.457 -0.700 3.684 1.00 0.00 H new ATOM 1173 N TYR A 76 -12.506 -0.494 -1.601 1.00 0.00 N ATOM 1174 CA TYR A 76 -11.096 -0.586 -1.952 1.00 0.00 C ATOM 1175 C TYR A 76 -10.545 -1.998 -1.850 1.00 0.00 C ATOM 1176 O TYR A 76 -10.928 -2.780 -0.982 1.00 0.00 O ATOM 1177 CB TYR A 76 -10.280 0.363 -1.086 1.00 0.00 C ATOM 1178 CG TYR A 76 -10.968 1.685 -0.882 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -12.064 2.027 -1.657 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -10.529 2.586 0.074 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -12.708 3.230 -1.489 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -11.168 3.798 0.252 1.00 0.00 C ATOM 1183 CZ TYR A 76 -12.259 4.116 -0.532 1.00 0.00 C ATOM 1184 OH TYR A 76 -12.899 5.321 -0.359 1.00 0.00 O ATOM 0 H TYR A 76 -12.686 -0.109 -0.674 1.00 0.00 H new ATOM 0 HA TYR A 76 -11.013 -0.296 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.095 -0.101 -0.117 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.308 0.530 -1.550 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -12.419 1.336 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.676 2.338 0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -13.561 3.480 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -10.816 4.493 1.000 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.458 5.826 0.355 1.00 0.00 H new ATOM 1194 N TYR A 77 -9.626 -2.298 -2.756 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.971 -3.604 -2.812 1.00 0.00 C ATOM 1196 C TYR A 77 -7.793 -3.562 -3.783 1.00 0.00 C ATOM 1197 O TYR A 77 -7.580 -2.563 -4.460 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.965 -4.686 -3.239 1.00 0.00 C ATOM 1199 CG TYR A 77 -10.286 -4.665 -4.713 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -11.176 -3.733 -5.231 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -9.700 -5.574 -5.585 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -11.477 -3.704 -6.577 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -9.995 -5.551 -6.936 1.00 0.00 C ATOM 1204 CZ TYR A 77 -10.883 -4.615 -7.427 1.00 0.00 C ATOM 1205 OH TYR A 77 -11.179 -4.590 -8.771 1.00 0.00 O ATOM 0 H TYR A 77 -9.311 -1.646 -3.474 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.600 -3.847 -1.816 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.559 -5.663 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.888 -4.563 -2.673 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -11.641 -3.018 -4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.006 -6.308 -5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -12.173 -2.974 -6.963 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -9.533 -6.262 -7.604 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.475 -5.479 -9.057 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.026 -4.643 -3.850 1.00 0.00 N ATOM 1216 CA VAL A 78 -5.876 -4.692 -4.748 1.00 0.00 C ATOM 1217 C VAL A 78 -6.016 -5.806 -5.776 1.00 0.00 C ATOM 1218 O VAL A 78 -6.148 -5.551 -6.974 1.00 0.00 O ATOM 1219 CB VAL A 78 -4.558 -4.899 -3.975 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.108 -3.599 -3.327 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -4.714 -5.999 -2.933 1.00 0.00 C ATOM 0 H VAL A 78 -7.175 -5.489 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.847 -3.729 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.789 -5.209 -4.683 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.176 -3.765 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.951 -2.844 -4.097 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.874 -3.254 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.773 -6.130 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.497 -5.723 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.983 -6.933 -3.427 1.00 0.00 H new ATOM 1231 N ALA A 79 -5.972 -7.040 -5.298 1.00 0.00 N ATOM 1232 CA ALA A 79 -6.079 -8.206 -6.161 1.00 0.00 C ATOM 1233 C ALA A 79 -7.502 -8.744 -6.187 1.00 0.00 C ATOM 1234 O ALA A 79 -7.724 -9.922 -5.910 1.00 0.00 O ATOM 1235 CB ALA A 79 -5.127 -9.285 -5.668 1.00 0.00 C ATOM 0 H ALA A 79 -5.862 -7.261 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.813 -7.911 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.204 -10.161 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.105 -8.907 -5.691 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.388 -9.562 -4.647 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.477 -7.889 -6.497 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.861 -8.338 -6.511 1.00 0.00 C ATOM 1243 C GLU A 80 -10.013 -9.402 -5.440 1.00 0.00 C ATOM 1244 O GLU A 80 -10.810 -10.333 -5.556 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.239 -8.898 -7.883 1.00 0.00 C ATOM 1246 CG GLU A 80 -11.688 -8.644 -8.266 1.00 0.00 C ATOM 1247 CD GLU A 80 -11.873 -8.466 -9.760 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -11.674 -9.449 -10.504 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -12.218 -7.344 -10.187 1.00 0.00 O ATOM 0 H GLU A 80 -8.336 -6.907 -6.735 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.528 -7.500 -6.310 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.589 -8.456 -8.638 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.053 -9.972 -7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.302 -9.477 -7.924 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.045 -7.753 -7.751 1.00 0.00 H new ATOM 1256 N LYS A 81 -9.191 -9.251 -4.411 1.00 0.00 N ATOM 1257 CA LYS A 81 -9.140 -10.173 -3.292 1.00 0.00 C ATOM 1258 C LYS A 81 -9.987 -9.696 -2.126 1.00 0.00 C ATOM 1259 O LYS A 81 -11.149 -10.074 -1.976 1.00 0.00 O ATOM 1260 CB LYS A 81 -7.697 -10.279 -2.813 1.00 0.00 C ATOM 1261 CG LYS A 81 -6.829 -11.230 -3.611 1.00 0.00 C ATOM 1262 CD LYS A 81 -5.460 -11.369 -2.970 1.00 0.00 C ATOM 1263 CE LYS A 81 -5.314 -12.706 -2.264 1.00 0.00 C ATOM 1264 NZ LYS A 81 -4.551 -12.581 -0.994 1.00 0.00 N ATOM 0 H LYS A 81 -8.534 -8.475 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.526 -11.134 -3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.246 -9.287 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.698 -10.598 -1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.310 -12.207 -3.671 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -6.723 -10.864 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.687 -11.272 -3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.307 -10.560 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.302 -13.116 -2.055 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.809 -13.412 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.819 -13.319 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.101 -11.644 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.198 -12.692 -0.188 1.00 0.00 H new ATOM 1278 N TYR A 82 -9.366 -8.870 -1.293 1.00 0.00 N ATOM 1279 CA TYR A 82 -10.009 -8.329 -0.112 1.00 0.00 C ATOM 1280 C TYR A 82 -10.354 -6.865 -0.300 1.00 0.00 C ATOM 1281 O TYR A 82 -9.494 -5.994 -0.171 1.00 0.00 O ATOM 1282 CB TYR A 82 -9.091 -8.470 1.103 1.00 0.00 C ATOM 1283 CG TYR A 82 -8.235 -9.715 1.094 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -7.305 -9.944 0.089 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -8.358 -10.655 2.105 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -6.524 -11.079 0.094 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -7.579 -11.792 2.118 1.00 0.00 C ATOM 1288 CZ TYR A 82 -6.663 -12.001 1.111 1.00 0.00 C ATOM 1289 OH TYR A 82 -5.882 -13.134 1.119 1.00 0.00 O ATOM 0 H TYR A 82 -8.403 -8.559 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.928 -8.892 0.051 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -8.441 -7.597 1.156 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -9.701 -8.469 2.007 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.192 -9.223 -0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -9.076 -10.494 2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.806 -11.246 -0.695 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.686 -12.515 2.913 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.103 -13.678 1.903 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.613 -6.595 -0.583 1.00 0.00 N ATOM 1300 CA VAL A 83 -12.058 -5.226 -0.758 1.00 0.00 C ATOM 1301 C VAL A 83 -12.454 -4.637 0.586 1.00 0.00 C ATOM 1302 O VAL A 83 -12.928 -5.348 1.473 1.00 0.00 O ATOM 1303 CB VAL A 83 -13.233 -5.125 -1.745 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -13.378 -3.701 -2.257 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -13.041 -6.099 -2.898 1.00 0.00 C ATOM 0 H VAL A 83 -12.342 -7.300 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.228 -4.658 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.151 -5.392 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.214 -3.648 -2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.562 -3.030 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.462 -3.402 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.881 -6.016 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.115 -5.864 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.990 -7.116 -2.510 1.00 0.00 H new ATOM 1315 N PHE A 84 -12.236 -3.345 0.743 1.00 0.00 N ATOM 1316 CA PHE A 84 -12.551 -2.678 1.994 1.00 0.00 C ATOM 1317 C PHE A 84 -13.080 -1.273 1.749 1.00 0.00 C ATOM 1318 O PHE A 84 -12.966 -0.734 0.646 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.309 -2.638 2.885 1.00 0.00 C ATOM 1320 CG PHE A 84 -10.559 -3.943 2.914 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.878 -4.920 3.843 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -9.538 -4.192 2.009 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.194 -6.124 3.868 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -8.851 -5.394 2.029 1.00 0.00 C ATOM 1325 CZ PHE A 84 -9.180 -6.362 2.960 1.00 0.00 C ATOM 0 H PHE A 84 -11.844 -2.738 0.024 1.00 0.00 H new ATOM 0 HA PHE A 84 -13.335 -3.242 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.642 -1.851 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -11.606 -2.374 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.669 -4.741 4.556 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -9.276 -3.439 1.280 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.453 -6.877 4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -8.059 -5.575 1.318 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.646 -7.301 2.977 1.00 0.00 H new ATOM 1335 N ASP A 85 -13.663 -0.689 2.786 1.00 0.00 N ATOM 1336 CA ASP A 85 -14.218 0.653 2.697 1.00 0.00 C ATOM 1337 C ASP A 85 -13.150 1.693 2.998 1.00 0.00 C ATOM 1338 O ASP A 85 -13.395 2.895 2.901 1.00 0.00 O ATOM 1339 CB ASP A 85 -15.390 0.809 3.668 1.00 0.00 C ATOM 1340 CG ASP A 85 -14.962 1.386 5.003 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -14.374 0.637 5.811 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -15.214 2.586 5.240 1.00 0.00 O ATOM 0 H ASP A 85 -13.764 -1.126 3.702 1.00 0.00 H new ATOM 0 HA ASP A 85 -14.579 0.808 1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -16.145 1.456 3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -15.857 -0.163 3.828 1.00 0.00 H new ATOM 1347 N SER A 86 -11.964 1.223 3.366 1.00 0.00 N ATOM 1348 CA SER A 86 -10.864 2.119 3.681 1.00 0.00 C ATOM 1349 C SER A 86 -9.514 1.409 3.592 1.00 0.00 C ATOM 1350 O SER A 86 -9.348 0.250 4.020 1.00 0.00 O ATOM 1351 CB SER A 86 -11.048 2.722 5.075 1.00 0.00 C ATOM 1352 OG SER A 86 -12.392 2.605 5.511 1.00 0.00 O ATOM 0 H SER A 86 -11.742 0.231 3.453 1.00 0.00 H new ATOM 0 HA SER A 86 -10.871 2.919 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.389 2.218 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.758 3.773 5.061 1.00 0.00 H new ATOM 0 HG SER A 86 -12.408 2.403 6.470 1.00 0.00 H new ATOM 1358 N ILE A 87 -8.547 2.121 3.035 1.00 0.00 N ATOM 1359 CA ILE A 87 -7.213 1.590 2.887 1.00 0.00 C ATOM 1360 C ILE A 87 -6.679 1.096 4.224 1.00 0.00 C ATOM 1361 O ILE A 87 -6.026 0.064 4.282 1.00 0.00 O ATOM 1362 CB ILE A 87 -6.251 2.637 2.300 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -6.154 2.473 0.785 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.875 2.504 2.926 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -7.460 2.698 0.057 1.00 0.00 C ATOM 0 H ILE A 87 -8.667 3.069 2.679 1.00 0.00 H new ATOM 0 HA ILE A 87 -7.273 0.752 2.193 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.642 3.629 2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.411 3.172 0.401 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.793 1.469 0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.207 3.252 2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.949 2.656 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.479 1.508 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.308 2.563 -1.014 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.202 1.982 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.813 3.711 0.248 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.955 1.810 5.331 1.00 0.00 N ATOM 1378 CA PRO A 88 -6.484 1.389 6.649 1.00 0.00 C ATOM 1379 C PRO A 88 -6.880 -0.050 6.935 1.00 0.00 C ATOM 1380 O PRO A 88 -6.039 -0.870 7.302 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.171 2.348 7.625 1.00 0.00 C ATOM 1382 CG PRO A 88 -8.197 3.085 6.824 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.734 3.051 5.394 1.00 0.00 C ATOM 0 HA PRO A 88 -5.397 1.423 6.729 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.635 1.802 8.447 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.451 3.037 8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.176 2.617 6.925 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.297 4.112 7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.573 3.037 4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.127 3.922 5.145 1.00 0.00 H new ATOM 1391 N LEU A 89 -8.149 -0.376 6.711 1.00 0.00 N ATOM 1392 CA LEU A 89 -8.596 -1.744 6.899 1.00 0.00 C ATOM 1393 C LEU A 89 -7.986 -2.569 5.787 1.00 0.00 C ATOM 1394 O LEU A 89 -7.381 -3.625 6.021 1.00 0.00 O ATOM 1395 CB LEU A 89 -10.126 -1.869 6.868 1.00 0.00 C ATOM 1396 CG LEU A 89 -10.902 -0.557 6.934 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.376 -0.161 5.547 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.083 -0.687 7.884 1.00 0.00 C ATOM 0 H LEU A 89 -8.871 0.277 6.405 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.279 -2.095 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.410 -2.392 5.955 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.437 -2.496 7.704 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.241 0.223 7.313 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.929 0.777 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.515 -0.035 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.025 -0.941 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -12.626 0.257 7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.748 -1.475 7.532 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.722 -0.936 8.882 1.00 0.00 H new ATOM 1410 N LEU A 90 -8.109 -2.046 4.565 1.00 0.00 N ATOM 1411 CA LEU A 90 -7.530 -2.709 3.414 1.00 0.00 C ATOM 1412 C LEU A 90 -6.032 -2.887 3.640 1.00 0.00 C ATOM 1413 O LEU A 90 -5.427 -3.853 3.174 1.00 0.00 O ATOM 1414 CB LEU A 90 -7.799 -1.902 2.144 1.00 0.00 C ATOM 1415 CG LEU A 90 -7.343 -2.567 0.846 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.307 -2.248 -0.285 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -5.931 -2.125 0.492 1.00 0.00 C ATOM 0 H LEU A 90 -8.599 -1.176 4.357 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.989 -3.690 3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.869 -1.705 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.302 -0.936 2.234 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.338 -3.647 0.993 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.966 -2.730 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.301 -2.615 -0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.347 -1.169 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.620 -2.607 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.910 -1.043 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.249 -2.408 1.294 1.00 0.00 H new ATOM 1429 N ILE A 91 -5.449 -1.955 4.393 1.00 0.00 N ATOM 1430 CA ILE A 91 -4.033 -2.008 4.727 1.00 0.00 C ATOM 1431 C ILE A 91 -3.825 -2.991 5.863 1.00 0.00 C ATOM 1432 O ILE A 91 -2.958 -3.865 5.804 1.00 0.00 O ATOM 1433 CB ILE A 91 -3.476 -0.629 5.148 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -3.586 0.354 3.993 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -2.021 -0.749 5.586 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -2.980 -0.174 2.720 1.00 0.00 C ATOM 0 H ILE A 91 -5.942 -1.152 4.783 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.496 -2.325 3.833 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.065 -0.263 5.989 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.636 0.589 3.820 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.092 1.286 4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.647 0.232 5.878 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.951 -1.431 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -1.423 -1.134 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.087 0.569 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.922 -0.383 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.491 -1.091 2.427 1.00 0.00 H new ATOM 1448 N GLN A 92 -4.649 -2.847 6.897 1.00 0.00 N ATOM 1449 CA GLN A 92 -4.583 -3.725 8.048 1.00 0.00 C ATOM 1450 C GLN A 92 -4.783 -5.168 7.614 1.00 0.00 C ATOM 1451 O GLN A 92 -4.171 -6.081 8.168 1.00 0.00 O ATOM 1452 CB GLN A 92 -5.641 -3.330 9.080 1.00 0.00 C ATOM 1453 CG GLN A 92 -5.270 -2.099 9.894 1.00 0.00 C ATOM 1454 CD GLN A 92 -4.331 -1.164 9.156 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -3.080 -1.581 8.999 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -4.723 -0.074 8.740 1.00 0.00 N flip ATOM 0 H GLN A 92 -5.370 -2.127 6.956 1.00 0.00 H new ATOM 0 HA GLN A 92 -3.599 -3.628 8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.585 -3.145 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -5.805 -4.167 9.758 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -6.178 -1.558 10.160 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.802 -2.414 10.827 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -5.693 0.207 8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -4.078 0.548 8.253 1.00 0.00 H new ATOM 1465 N TYR A 93 -5.632 -5.376 6.606 1.00 0.00 N ATOM 1466 CA TYR A 93 -5.878 -6.720 6.106 1.00 0.00 C ATOM 1467 C TYR A 93 -4.616 -7.281 5.461 1.00 0.00 C ATOM 1468 O TYR A 93 -4.310 -8.464 5.610 1.00 0.00 O ATOM 1469 CB TYR A 93 -7.034 -6.727 5.106 1.00 0.00 C ATOM 1470 CG TYR A 93 -6.635 -7.158 3.714 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -6.378 -8.493 3.417 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -6.523 -6.229 2.692 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -6.022 -8.883 2.138 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -6.167 -6.610 1.415 1.00 0.00 C ATOM 1475 CZ TYR A 93 -5.917 -7.937 1.142 1.00 0.00 C ATOM 1476 OH TYR A 93 -5.567 -8.322 -0.131 1.00 0.00 O ATOM 0 H TYR A 93 -6.152 -4.639 6.129 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.155 -7.353 6.949 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.815 -7.393 5.473 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -7.465 -5.727 5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.458 -9.236 4.197 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.718 -5.187 2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.828 -9.923 1.922 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.085 -5.871 0.632 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.884 -7.712 -0.481 1.00 0.00 H new ATOM 1486 N HIS A 94 -3.873 -6.426 4.757 1.00 0.00 N ATOM 1487 CA HIS A 94 -2.638 -6.862 4.120 1.00 0.00 C ATOM 1488 C HIS A 94 -1.500 -6.886 5.136 1.00 0.00 C ATOM 1489 O HIS A 94 -0.494 -7.567 4.943 1.00 0.00 O ATOM 1490 CB HIS A 94 -2.294 -5.971 2.927 1.00 0.00 C ATOM 1491 CG HIS A 94 -2.594 -6.604 1.609 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -1.938 -7.565 0.918 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -3.692 -6.268 0.848 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -2.648 -7.791 -0.234 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -3.702 -6.998 -0.251 1.00 0.00 N flip ATOM 0 H HIS A 94 -4.103 -5.442 4.617 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.782 -7.875 3.743 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -2.850 -5.037 3.008 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.235 -5.716 2.967 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -1.077 -8.033 1.201 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.429 -5.524 1.110 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -2.386 -8.503 -1.003 1.00 0.00 H new ATOM 1504 N GLN A 95 -1.680 -6.152 6.232 1.00 0.00 N ATOM 1505 CA GLN A 95 -0.684 -6.103 7.297 1.00 0.00 C ATOM 1506 C GLN A 95 -0.615 -7.439 8.027 1.00 0.00 C ATOM 1507 O GLN A 95 0.467 -7.963 8.291 1.00 0.00 O ATOM 1508 CB GLN A 95 -1.031 -4.995 8.296 1.00 0.00 C ATOM 1509 CG GLN A 95 -0.436 -3.642 7.948 1.00 0.00 C ATOM 1510 CD GLN A 95 -0.681 -2.603 9.025 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -1.098 -2.931 10.136 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -0.422 -1.341 8.701 1.00 0.00 N ATOM 0 H GLN A 95 -2.508 -5.582 6.405 1.00 0.00 H new ATOM 0 HA GLN A 95 0.286 -5.893 6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -2.115 -4.899 8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.683 -5.290 9.286 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.637 -3.751 7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.862 -3.293 7.008 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.078 -1.114 7.768 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.568 -0.599 9.385 1.00 0.00 H new ATOM 1521 N TYR A 96 -1.783 -7.981 8.354 1.00 0.00 N ATOM 1522 CA TYR A 96 -1.873 -9.252 9.060 1.00 0.00 C ATOM 1523 C TYR A 96 -1.891 -10.424 8.085 1.00 0.00 C ATOM 1524 O TYR A 96 -0.871 -11.075 7.860 1.00 0.00 O ATOM 1525 CB TYR A 96 -3.133 -9.278 9.925 1.00 0.00 C ATOM 1526 CG TYR A 96 -2.929 -8.698 11.305 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -2.617 -7.355 11.472 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -3.049 -9.490 12.440 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -2.429 -6.817 12.729 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -2.863 -8.959 13.702 1.00 0.00 C ATOM 1531 CZ TYR A 96 -2.554 -7.622 13.841 1.00 0.00 C ATOM 1532 OH TYR A 96 -2.367 -7.091 15.097 1.00 0.00 O ATOM 0 H TYR A 96 -2.685 -7.556 8.139 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.992 -9.351 9.695 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -3.923 -8.723 9.419 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -3.478 -10.308 10.020 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -2.520 -6.721 10.603 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.291 -10.537 12.334 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.185 -5.771 12.841 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.959 -9.588 14.575 1.00 0.00 H new ATOM 0 HH TYR A 96 -2.492 -7.792 15.770 1.00 0.00 H new ATOM 1542 N ASN A 97 -3.061 -10.689 7.514 1.00 0.00 N ATOM 1543 CA ASN A 97 -3.219 -11.786 6.567 1.00 0.00 C ATOM 1544 C ASN A 97 -1.967 -11.959 5.715 1.00 0.00 C ATOM 1545 O ASN A 97 -1.011 -12.619 6.122 1.00 0.00 O ATOM 1546 CB ASN A 97 -4.431 -11.537 5.667 1.00 0.00 C ATOM 1547 CG ASN A 97 -5.645 -12.338 6.097 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -6.045 -13.289 5.426 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -6.239 -11.955 7.222 1.00 0.00 N ATOM 0 H ASN A 97 -3.914 -10.159 7.691 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.376 -12.702 7.136 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.677 -10.475 5.679 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.175 -11.793 4.639 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.061 -12.455 7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.873 -11.161 7.747 1.00 0.00 H new ATOM 1556 N GLY A 98 -1.982 -11.364 4.528 1.00 0.00 N ATOM 1557 CA GLY A 98 -0.846 -11.463 3.632 1.00 0.00 C ATOM 1558 C GLY A 98 -1.260 -11.426 2.174 1.00 0.00 C ATOM 1559 O GLY A 98 -0.588 -11.998 1.316 1.00 0.00 O ATOM 0 H GLY A 98 -2.763 -10.814 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.155 -10.644 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.308 -12.390 3.832 1.00 0.00 H new ATOM 1563 N GLY A 99 -2.372 -10.751 1.899 1.00 0.00 N ATOM 1564 CA GLY A 99 -2.868 -10.649 0.540 1.00 0.00 C ATOM 1565 C GLY A 99 -2.059 -11.476 -0.442 1.00 0.00 C ATOM 1566 O GLY A 99 -2.234 -12.691 -0.534 1.00 0.00 O ATOM 0 H GLY A 99 -2.940 -10.271 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.908 -10.974 0.512 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.852 -9.604 0.229 1.00 0.00 H new ATOM 1570 N GLY A 100 -1.171 -10.814 -1.181 1.00 0.00 N ATOM 1571 CA GLY A 100 -0.347 -11.512 -2.152 1.00 0.00 C ATOM 1572 C GLY A 100 0.833 -10.680 -2.620 1.00 0.00 C ATOM 1573 O GLY A 100 1.845 -11.222 -3.062 1.00 0.00 O ATOM 0 H GLY A 100 -1.008 -9.809 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.019 -12.440 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.958 -11.786 -3.012 1.00 0.00 H new ATOM 1577 N LEU A 101 0.702 -9.362 -2.521 1.00 0.00 N ATOM 1578 CA LEU A 101 1.764 -8.450 -2.936 1.00 0.00 C ATOM 1579 C LEU A 101 3.121 -8.938 -2.438 1.00 0.00 C ATOM 1580 O LEU A 101 3.235 -10.039 -1.900 1.00 0.00 O ATOM 1581 CB LEU A 101 1.487 -7.044 -2.400 1.00 0.00 C ATOM 1582 CG LEU A 101 0.030 -6.587 -2.498 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -0.735 -7.435 -3.504 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -0.635 -6.649 -1.133 1.00 0.00 C ATOM 0 H LEU A 101 -0.131 -8.899 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 101 1.785 -8.421 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.795 -7.003 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 101 2.111 -6.335 -2.944 1.00 0.00 H new ATOM 0 HG LEU A 101 0.016 -5.554 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.768 -7.092 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.271 -7.342 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -0.714 -8.479 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.671 -6.321 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.608 -7.673 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.104 -5.997 -0.440 1.00 0.00 H new ATOM 1596 N VAL A 102 4.148 -8.108 -2.612 1.00 0.00 N ATOM 1597 CA VAL A 102 5.493 -8.462 -2.167 1.00 0.00 C ATOM 1598 C VAL A 102 5.422 -9.427 -0.994 1.00 0.00 C ATOM 1599 O VAL A 102 6.275 -10.300 -0.830 1.00 0.00 O ATOM 1600 CB VAL A 102 6.290 -7.215 -1.735 1.00 0.00 C ATOM 1601 CG1 VAL A 102 6.175 -6.116 -2.778 1.00 0.00 C ATOM 1602 CG2 VAL A 102 5.813 -6.723 -0.373 1.00 0.00 C ATOM 0 H VAL A 102 4.075 -7.192 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 102 6.001 -8.932 -3.009 1.00 0.00 H new ATOM 0 HB VAL A 102 7.341 -7.490 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.745 -5.245 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.570 -6.474 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 102 5.128 -5.839 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.386 -5.842 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.755 -6.465 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.956 -7.509 0.368 1.00 0.00 H new ATOM 1612 N THR A 103 4.389 -9.251 -0.184 1.00 0.00 N ATOM 1613 CA THR A 103 4.166 -10.082 0.988 1.00 0.00 C ATOM 1614 C THR A 103 2.887 -9.638 1.685 1.00 0.00 C ATOM 1615 O THR A 103 1.839 -10.271 1.557 1.00 0.00 O ATOM 1616 CB THR A 103 5.356 -9.982 1.948 1.00 0.00 C ATOM 1617 OG1 THR A 103 4.913 -9.735 3.270 1.00 0.00 O ATOM 1618 CG2 THR A 103 6.339 -8.885 1.580 1.00 0.00 C ATOM 0 H THR A 103 3.682 -8.528 -0.321 1.00 0.00 H new ATOM 0 HA THR A 103 4.065 -11.122 0.676 1.00 0.00 H new ATOM 0 HB THR A 103 5.866 -10.942 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.687 -9.676 3.869 1.00 0.00 H new ATOM 0 HG21 THR A 103 7.156 -8.871 2.302 1.00 0.00 H new ATOM 0 HG22 THR A 103 6.738 -9.074 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.830 -7.921 1.590 1.00 0.00 H new ATOM 1626 N ARG A 104 2.988 -8.533 2.408 1.00 0.00 N ATOM 1627 CA ARG A 104 1.863 -7.961 3.125 1.00 0.00 C ATOM 1628 C ARG A 104 2.297 -6.657 3.778 1.00 0.00 C ATOM 1629 O ARG A 104 3.487 -6.347 3.808 1.00 0.00 O ATOM 1630 CB ARG A 104 1.361 -8.930 4.192 1.00 0.00 C ATOM 1631 CG ARG A 104 1.962 -10.323 4.097 1.00 0.00 C ATOM 1632 CD ARG A 104 1.760 -11.101 5.388 1.00 0.00 C ATOM 1633 NE ARG A 104 2.718 -10.713 6.419 1.00 0.00 N ATOM 1634 CZ ARG A 104 2.513 -10.893 7.719 1.00 0.00 C ATOM 1635 NH1 ARG A 104 1.389 -11.453 8.144 1.00 0.00 N ATOM 1636 NH2 ARG A 104 3.432 -10.514 8.597 1.00 0.00 N ATOM 0 H ARG A 104 3.856 -8.008 2.513 1.00 0.00 H new ATOM 0 HA ARG A 104 1.052 -7.770 2.422 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.582 -8.517 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.276 -9.008 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 104 1.504 -10.863 3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.027 -10.248 3.878 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.747 -10.937 5.755 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.857 -12.168 5.187 1.00 0.00 H new ATOM 0 HE ARG A 104 3.593 -10.280 6.125 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.680 -11.747 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 104 1.234 -11.590 9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.298 -10.083 8.274 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.272 -10.653 9.595 1.00 0.00 H new ATOM 1650 N LEU A 105 1.348 -5.898 4.314 1.00 0.00 N ATOM 1651 CA LEU A 105 1.689 -4.645 4.976 1.00 0.00 C ATOM 1652 C LEU A 105 2.594 -4.932 6.167 1.00 0.00 C ATOM 1653 O LEU A 105 2.304 -4.539 7.297 1.00 0.00 O ATOM 1654 CB LEU A 105 0.428 -3.901 5.424 1.00 0.00 C ATOM 1655 CG LEU A 105 -0.279 -3.114 4.333 1.00 0.00 C ATOM 1656 CD1 LEU A 105 0.664 -2.841 3.183 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -1.499 -3.857 3.851 1.00 0.00 C ATOM 0 H LEU A 105 0.353 -6.123 4.304 1.00 0.00 H new ATOM 0 HA LEU A 105 2.217 -4.005 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.273 -4.624 5.841 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.696 -3.216 6.229 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.601 -2.159 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.142 -2.277 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.516 -2.263 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.015 -3.786 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.992 -3.278 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.200 -4.826 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.187 -4.005 4.683 1.00 0.00 H new ATOM 1669 N ARG A 106 3.688 -5.640 5.898 1.00 0.00 N ATOM 1670 CA ARG A 106 4.644 -6.011 6.932 1.00 0.00 C ATOM 1671 C ARG A 106 4.996 -4.828 7.819 1.00 0.00 C ATOM 1672 O ARG A 106 5.153 -4.978 9.031 1.00 0.00 O ATOM 1673 CB ARG A 106 5.913 -6.574 6.295 1.00 0.00 C ATOM 1674 CG ARG A 106 6.676 -7.528 7.199 1.00 0.00 C ATOM 1675 CD ARG A 106 5.746 -8.531 7.863 1.00 0.00 C ATOM 1676 NE ARG A 106 6.253 -9.897 7.760 1.00 0.00 N ATOM 1677 CZ ARG A 106 7.446 -10.275 8.204 1.00 0.00 C ATOM 1678 NH1 ARG A 106 8.252 -9.393 8.779 1.00 0.00 N ATOM 1679 NH2 ARG A 106 7.835 -11.536 8.075 1.00 0.00 N ATOM 0 H ARG A 106 3.934 -5.969 4.964 1.00 0.00 H new ATOM 0 HA ARG A 106 4.178 -6.774 7.556 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.648 -7.093 5.374 1.00 0.00 H new ATOM 0 HB3 ARG A 106 6.568 -5.748 6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.429 -8.059 6.616 1.00 0.00 H new ATOM 0 HG3 ARG A 106 7.206 -6.960 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 106 5.620 -8.269 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.761 -8.474 7.400 1.00 0.00 H new ATOM 0 HE ARG A 106 5.657 -10.600 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.956 -8.422 8.881 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.168 -9.685 9.119 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.217 -12.218 7.634 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.752 -11.824 8.417 1.00 0.00 H new ATOM 1693 N TYR A 107 5.132 -3.654 7.217 1.00 0.00 N ATOM 1694 CA TYR A 107 5.480 -2.462 7.979 1.00 0.00 C ATOM 1695 C TYR A 107 5.393 -1.206 7.125 1.00 0.00 C ATOM 1696 O TYR A 107 6.284 -0.922 6.324 1.00 0.00 O ATOM 1697 CB TYR A 107 6.889 -2.592 8.551 1.00 0.00 C ATOM 1698 CG TYR A 107 7.297 -1.407 9.391 1.00 0.00 C ATOM 1699 CD1 TYR A 107 6.729 -1.194 10.638 1.00 0.00 C ATOM 1700 CD2 TYR A 107 8.243 -0.499 8.935 1.00 0.00 C ATOM 1701 CE1 TYR A 107 7.091 -0.111 11.410 1.00 0.00 C ATOM 1702 CE2 TYR A 107 8.612 0.589 9.701 1.00 0.00 C ATOM 1703 CZ TYR A 107 8.033 0.780 10.938 1.00 0.00 C ATOM 1704 OH TYR A 107 8.396 1.862 11.705 1.00 0.00 O ATOM 0 H TYR A 107 5.009 -3.502 6.216 1.00 0.00 H new ATOM 0 HA TYR A 107 4.761 -2.373 8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.947 -3.497 9.156 1.00 0.00 H new ATOM 0 HB3 TYR A 107 7.598 -2.711 7.732 1.00 0.00 H new ATOM 0 HD1 TYR A 107 5.991 -1.888 11.011 1.00 0.00 H new ATOM 0 HD2 TYR A 107 8.697 -0.646 7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 107 6.640 0.039 12.380 1.00 0.00 H new ATOM 0 HE2 TYR A 107 9.350 1.287 9.333 1.00 0.00 H new ATOM 0 HH TYR A 107 7.958 2.668 11.361 1.00 0.00 H new ATOM 1714 N PRO A 108 4.318 -0.430 7.296 1.00 0.00 N ATOM 1715 CA PRO A 108 4.119 0.813 6.552 1.00 0.00 C ATOM 1716 C PRO A 108 5.272 1.797 6.773 1.00 0.00 C ATOM 1717 O PRO A 108 5.871 1.828 7.847 1.00 0.00 O ATOM 1718 CB PRO A 108 2.805 1.365 7.125 1.00 0.00 C ATOM 1719 CG PRO A 108 2.632 0.673 8.432 1.00 0.00 C ATOM 1720 CD PRO A 108 3.215 -0.691 8.233 1.00 0.00 C ATOM 0 HA PRO A 108 4.084 0.654 5.474 1.00 0.00 H new ATOM 0 HB2 PRO A 108 2.855 2.446 7.255 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.968 1.162 6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.145 1.208 9.232 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.580 0.615 8.711 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.571 -1.121 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.486 -1.388 7.819 1.00 0.00 H new ATOM 1728 N VAL A 109 5.586 2.586 5.748 1.00 0.00 N ATOM 1729 CA VAL A 109 6.666 3.554 5.826 1.00 0.00 C ATOM 1730 C VAL A 109 6.164 4.957 5.510 1.00 0.00 C ATOM 1731 O VAL A 109 5.146 5.124 4.838 1.00 0.00 O ATOM 1732 CB VAL A 109 7.793 3.207 4.841 1.00 0.00 C ATOM 1733 CG1 VAL A 109 8.487 1.910 5.237 1.00 0.00 C ATOM 1734 CG2 VAL A 109 7.251 3.125 3.422 1.00 0.00 C ATOM 0 H VAL A 109 5.102 2.570 4.850 1.00 0.00 H new ATOM 0 HA VAL A 109 7.050 3.522 6.846 1.00 0.00 H new ATOM 0 HB VAL A 109 8.536 4.003 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 109 9.280 1.689 4.523 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.916 2.016 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.763 1.096 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.062 2.878 2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.484 2.352 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 109 6.818 4.085 3.142 1.00 0.00 H new ATOM 1744 N CYS A 110 6.885 5.962 5.989 1.00 0.00 N ATOM 1745 CA CYS A 110 6.510 7.349 5.748 1.00 0.00 C ATOM 1746 C CYS A 110 7.743 8.208 5.497 1.00 0.00 C ATOM 1747 O CYS A 110 8.304 8.796 6.422 1.00 0.00 O ATOM 1748 CB CYS A 110 5.716 7.900 6.933 1.00 0.00 C ATOM 1749 SG CYS A 110 6.066 9.632 7.316 1.00 0.00 S ATOM 0 H CYS A 110 7.731 5.843 6.546 1.00 0.00 H new ATOM 0 HA CYS A 110 5.882 7.381 4.858 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.652 7.793 6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 110 5.930 7.294 7.813 1.00 0.00 H new ATOM 0 HG CYS A 110 7.352 9.807 7.397 1.00 0.00 H new ATOM 1755 N GLY A 111 8.160 8.275 4.237 1.00 0.00 N ATOM 1756 CA GLY A 111 9.325 9.063 3.881 1.00 0.00 C ATOM 1757 C GLY A 111 10.543 8.706 4.710 1.00 0.00 C ATOM 1758 O GLY A 111 10.616 7.617 5.279 1.00 0.00 O ATOM 0 H GLY A 111 7.711 7.797 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 111 9.552 8.914 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 111 9.098 10.121 4.012 1.00 0.00 H new HETATM 1762 N NH2 A 112 11.505 9.618 4.785 1.00 0.00 N TER 1765 NH2 A 112