USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 HIS : no HE2:sc= -4.06! C(o=-6.7!,f=-10!) USER MOD Set 1.2: A 123 GLN : amide:sc= -2.67! C(o=-6.7!,f=-15!) USER MOD Set 2.1: A 87 THR OG1 : rot -46:sc= 0.221 USER MOD Set 2.2: A 90 GLN :FLIP amide:sc= -1.55 F(o=-2.6!,f=-1.3) USER MOD Set 3.1: A 81 TYR OH : rot 165:sc= 0 USER MOD Set 3.2: A 91 GLN :FLIP amide:sc= -0.0793 F(o=-1.3,f=-0.079) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 107:sc= 1.4 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 105:sc= 0.207 USER MOD Single : A 92 TYR OH : rot -164:sc= 0.186 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 160:sc= -0.0758 (180deg=-0.415) USER MOD Single : A 97 SER OG : rot 180:sc= 0.00572 USER MOD Single : A 105 ASN :FLIP amide:sc= -5.87! C(o=-8.1!,f=-5.9!) USER MOD Single : A 107 GLN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= -1.45! (180deg=-2.6!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 1.17 (180deg=0.935) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.84 F(o=-8.6!,f=-1.8) USER MOD Single : A 121 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00716) USER MOD Single : A 122 LYS NZ :NH3+ 172:sc= 0.894 (180deg=0.745) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.231 F(o=-2.3,f=-0.23) USER MOD Single : A 127 ASN :FLIP amide:sc= -1.83 F(o=-4!,f=-1.8) USER MOD Single : A 133 THR OG1 : rot 41:sc= -5.8! USER MOD Single : A 137 MET CE :methyl -164:sc= -1.3 (180deg=-1.69!) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot -72:sc= 0.0743 USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot 82:sc= 1.03 USER MOD Single : A 149 THR OG1 : rot -41:sc= 0.409 USER MOD Single : A 150 GLN : amide:sc= -2.21 K(o=-2.2,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 48.516 8.063 -8.536 1.00 0.00 N ATOM 2 CA GLY A 77 48.024 6.701 -8.353 1.00 0.00 C ATOM 3 C GLY A 77 47.610 6.478 -6.925 1.00 0.00 C ATOM 4 O GLY A 77 48.158 7.108 -6.025 1.00 0.00 O ATOM 0 HA2 GLY A 77 47.177 6.522 -9.015 1.00 0.00 H new ATOM 0 HA3 GLY A 77 48.801 5.987 -8.628 1.00 0.00 H new ATOM 10 N ALA A 78 46.664 5.584 -6.699 1.00 0.00 N ATOM 11 CA ALA A 78 46.177 5.301 -5.350 1.00 0.00 C ATOM 12 C ALA A 78 46.836 4.052 -4.799 1.00 0.00 C ATOM 13 O ALA A 78 46.480 3.538 -3.733 1.00 0.00 O ATOM 14 CB ALA A 78 44.669 5.189 -5.336 1.00 0.00 C ATOM 0 H ALA A 78 46.213 5.037 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 78 46.448 6.133 -4.700 1.00 0.00 H new ATOM 0 HB1 ALA A 78 44.329 4.978 -4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 78 44.231 6.127 -5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 78 44.358 4.381 -5.998 1.00 0.00 H new ATOM 20 N MET A 79 47.800 3.605 -5.531 1.00 0.00 N ATOM 21 CA MET A 79 48.620 2.467 -5.198 1.00 0.00 C ATOM 22 C MET A 79 49.862 2.564 -6.058 1.00 0.00 C ATOM 23 O MET A 79 49.783 3.106 -7.159 1.00 0.00 O ATOM 24 CB MET A 79 47.853 1.122 -5.405 1.00 0.00 C ATOM 25 CG MET A 79 47.588 0.678 -6.848 1.00 0.00 C ATOM 26 SD MET A 79 49.021 -0.129 -7.610 1.00 0.00 S ATOM 27 CE MET A 79 48.399 -0.451 -9.257 1.00 0.00 C ATOM 0 H MET A 79 48.057 4.035 -6.419 1.00 0.00 H new ATOM 0 HA MET A 79 48.891 2.476 -4.142 1.00 0.00 H new ATOM 0 HB2 MET A 79 48.416 0.333 -4.907 1.00 0.00 H new ATOM 0 HB3 MET A 79 46.893 1.199 -4.894 1.00 0.00 H new ATOM 0 HG2 MET A 79 46.741 -0.008 -6.862 1.00 0.00 H new ATOM 0 HG3 MET A 79 47.306 1.546 -7.444 1.00 0.00 H new ATOM 0 HE1 MET A 79 49.170 -0.946 -9.847 1.00 0.00 H new ATOM 0 HE2 MET A 79 47.521 -1.094 -9.195 1.00 0.00 H new ATOM 0 HE3 MET A 79 48.127 0.491 -9.734 1.00 0.00 H new ATOM 37 N SER A 80 50.981 2.111 -5.534 1.00 0.00 N ATOM 38 CA SER A 80 52.292 2.156 -6.189 1.00 0.00 C ATOM 39 C SER A 80 52.710 3.559 -6.656 1.00 0.00 C ATOM 40 O SER A 80 52.357 4.027 -7.753 1.00 0.00 O ATOM 41 CB SER A 80 52.397 1.166 -7.307 1.00 0.00 C ATOM 42 OG SER A 80 51.962 -0.126 -6.875 1.00 0.00 O ATOM 0 H SER A 80 51.015 1.684 -4.608 1.00 0.00 H new ATOM 0 HA SER A 80 53.002 1.872 -5.412 1.00 0.00 H new ATOM 0 HB2 SER A 80 51.792 1.496 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 80 53.428 1.111 -7.656 1.00 0.00 H new ATOM 0 HG SER A 80 51.090 -0.327 -7.273 1.00 0.00 H new ATOM 48 N TYR A 81 53.454 4.206 -5.823 1.00 0.00 N ATOM 49 CA TYR A 81 53.909 5.557 -6.027 1.00 0.00 C ATOM 50 C TYR A 81 55.061 5.772 -5.092 1.00 0.00 C ATOM 51 O TYR A 81 55.402 4.864 -4.361 1.00 0.00 O ATOM 52 CB TYR A 81 52.767 6.547 -5.708 1.00 0.00 C ATOM 53 CG TYR A 81 52.030 6.207 -4.421 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.536 6.550 -3.168 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.837 5.502 -4.468 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.871 6.203 -2.027 1.00 0.00 C ATOM 57 CE2 TYR A 81 50.179 5.155 -3.330 1.00 0.00 C ATOM 58 CZ TYR A 81 50.697 5.510 -2.110 1.00 0.00 C ATOM 59 OH TYR A 81 50.045 5.163 -0.975 1.00 0.00 O ATOM 0 H TYR A 81 53.779 3.800 -4.945 1.00 0.00 H new ATOM 0 HA TYR A 81 54.214 5.721 -7.061 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.177 7.554 -5.631 1.00 0.00 H new ATOM 0 HB3 TYR A 81 52.058 6.554 -6.536 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.465 7.097 -3.099 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.423 5.223 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 81 52.272 6.476 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 81 49.253 4.602 -3.386 1.00 0.00 H new ATOM 0 HH TYR A 81 49.130 4.888 -1.194 1.00 0.00 H new ATOM 69 N SER A 82 55.636 6.925 -5.078 1.00 0.00 N ATOM 70 CA SER A 82 56.693 7.181 -4.153 1.00 0.00 C ATOM 71 C SER A 82 56.100 7.796 -2.878 1.00 0.00 C ATOM 72 O SER A 82 55.108 8.541 -2.957 1.00 0.00 O ATOM 73 CB SER A 82 57.723 8.092 -4.787 1.00 0.00 C ATOM 74 OG SER A 82 58.212 7.520 -5.996 1.00 0.00 O ATOM 0 H SER A 82 55.396 7.704 -5.692 1.00 0.00 H new ATOM 0 HA SER A 82 57.197 6.252 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.280 9.067 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.549 8.256 -4.094 1.00 0.00 H new ATOM 0 HG SER A 82 58.876 8.120 -6.397 1.00 0.00 H new ATOM 80 N LEU A 83 56.666 7.491 -1.721 1.00 0.00 N ATOM 81 CA LEU A 83 56.085 7.964 -0.469 1.00 0.00 C ATOM 82 C LEU A 83 57.129 8.009 0.643 1.00 0.00 C ATOM 83 O LEU A 83 58.235 7.466 0.501 1.00 0.00 O ATOM 84 CB LEU A 83 54.957 6.992 -0.037 1.00 0.00 C ATOM 85 CG LEU A 83 54.055 7.433 1.136 1.00 0.00 C ATOM 86 CD1 LEU A 83 53.146 8.572 0.753 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.277 6.271 1.694 1.00 0.00 C ATOM 0 H LEU A 83 57.511 6.929 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 83 55.698 8.970 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.320 6.808 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.416 6.040 0.229 1.00 0.00 H new ATOM 0 HG LEU A 83 54.711 7.802 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.530 8.849 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.746 9.428 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.504 8.263 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.652 6.614 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.647 5.846 0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 83 53.969 5.510 2.056 1.00 0.00 H new ATOM 99 N TYR A 84 56.775 8.700 1.707 1.00 0.00 N ATOM 100 CA TYR A 84 57.482 8.688 2.967 1.00 0.00 C ATOM 101 C TYR A 84 57.241 7.390 3.626 1.00 0.00 C ATOM 102 O TYR A 84 56.091 7.066 3.986 1.00 0.00 O ATOM 103 CB TYR A 84 56.981 9.815 3.857 1.00 0.00 C ATOM 104 CG TYR A 84 57.852 11.022 3.861 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.361 11.537 2.694 1.00 0.00 C ATOM 106 CD2 TYR A 84 58.203 11.616 5.053 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.195 12.627 2.709 1.00 0.00 C ATOM 108 CE2 TYR A 84 59.038 12.708 5.089 1.00 0.00 C ATOM 109 CZ TYR A 84 59.531 13.212 3.904 1.00 0.00 C ATOM 110 OH TYR A 84 60.354 14.304 3.910 1.00 0.00 O ATOM 0 H TYR A 84 55.956 9.308 1.716 1.00 0.00 H new ATOM 0 HA TYR A 84 58.549 8.830 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.981 10.103 3.531 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.889 9.444 4.878 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.101 11.078 1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.815 11.216 5.978 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.586 13.023 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.304 13.164 6.031 1.00 0.00 H new ATOM 0 HH TYR A 84 60.496 14.602 4.833 1.00 0.00 H new ATOM 120 N GLY A 85 58.312 6.651 3.797 1.00 0.00 N ATOM 121 CA GLY A 85 58.245 5.356 4.352 1.00 0.00 C ATOM 122 C GLY A 85 57.548 5.278 5.622 1.00 0.00 C ATOM 123 O GLY A 85 56.741 4.397 5.824 1.00 0.00 O ATOM 0 H GLY A 85 59.254 6.951 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.751 4.695 3.640 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.259 4.979 4.485 1.00 0.00 H new ATOM 127 N THR A 86 57.863 6.202 6.454 1.00 0.00 N ATOM 128 CA THR A 86 57.337 6.358 7.808 1.00 0.00 C ATOM 129 C THR A 86 55.765 6.170 7.890 1.00 0.00 C ATOM 130 O THR A 86 55.228 5.887 8.958 1.00 0.00 O ATOM 131 CB THR A 86 57.768 7.762 8.352 1.00 0.00 C ATOM 132 OG1 THR A 86 57.548 7.886 9.757 1.00 0.00 O ATOM 133 CG2 THR A 86 57.036 8.863 7.631 1.00 0.00 C ATOM 0 H THR A 86 58.537 6.929 6.215 1.00 0.00 H new ATOM 0 HA THR A 86 57.757 5.567 8.430 1.00 0.00 H new ATOM 0 HB THR A 86 58.838 7.854 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 86 58.405 7.826 10.229 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.351 9.829 8.026 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.263 8.814 6.566 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.963 8.744 7.779 1.00 0.00 H new ATOM 141 N THR A 87 55.049 6.362 6.775 1.00 0.00 N ATOM 142 CA THR A 87 53.613 6.163 6.751 1.00 0.00 C ATOM 143 C THR A 87 53.166 4.751 6.252 1.00 0.00 C ATOM 144 O THR A 87 52.023 4.388 6.412 1.00 0.00 O ATOM 145 CB THR A 87 52.883 7.271 5.957 1.00 0.00 C ATOM 146 OG1 THR A 87 53.388 7.381 4.618 1.00 0.00 O ATOM 147 CG2 THR A 87 52.998 8.606 6.640 1.00 0.00 C ATOM 0 H THR A 87 55.449 6.655 5.884 1.00 0.00 H new ATOM 0 HA THR A 87 53.315 6.227 7.798 1.00 0.00 H new ATOM 0 HB THR A 87 51.833 6.982 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.368 7.381 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.473 9.361 6.054 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.555 8.546 7.634 1.00 0.00 H new ATOM 0 HG23 THR A 87 54.049 8.881 6.728 1.00 0.00 H new ATOM 155 N LEU A 88 54.072 3.972 5.671 1.00 0.00 N ATOM 156 CA LEU A 88 53.749 2.668 4.996 1.00 0.00 C ATOM 157 C LEU A 88 52.888 1.670 5.738 1.00 0.00 C ATOM 158 O LEU A 88 52.153 0.900 5.092 1.00 0.00 O ATOM 159 CB LEU A 88 54.989 1.981 4.510 1.00 0.00 C ATOM 160 CG LEU A 88 55.309 2.146 3.046 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.320 1.390 2.219 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.229 3.575 2.671 1.00 0.00 C ATOM 0 H LEU A 88 55.064 4.207 5.641 1.00 0.00 H new ATOM 0 HA LEU A 88 53.117 3.003 4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.835 2.350 5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 88 54.897 0.916 4.723 1.00 0.00 H new ATOM 0 HG LEU A 88 56.315 1.766 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.558 1.514 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.362 0.332 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.317 1.771 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.461 3.687 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.222 3.946 2.863 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.945 4.147 3.262 1.00 0.00 H new ATOM 174 N GLU A 89 52.946 1.654 7.034 1.00 0.00 N ATOM 175 CA GLU A 89 52.156 0.698 7.804 1.00 0.00 C ATOM 176 C GLU A 89 50.647 0.973 7.605 1.00 0.00 C ATOM 177 O GLU A 89 49.809 0.075 7.703 1.00 0.00 O ATOM 178 CB GLU A 89 52.536 0.724 9.293 1.00 0.00 C ATOM 179 CG GLU A 89 54.044 0.599 9.576 1.00 0.00 C ATOM 180 CD GLU A 89 54.707 1.944 9.731 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.616 2.783 8.818 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.262 2.216 10.829 1.00 0.00 O ATOM 0 H GLU A 89 53.524 2.282 7.593 1.00 0.00 H new ATOM 0 HA GLU A 89 52.377 -0.304 7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.174 1.655 9.730 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.017 -0.089 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.194 0.015 10.484 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.521 0.052 8.762 1.00 0.00 H new ATOM 189 N GLN A 90 50.351 2.217 7.254 1.00 0.00 N ATOM 190 CA GLN A 90 49.003 2.711 6.938 1.00 0.00 C ATOM 191 C GLN A 90 48.532 2.130 5.591 1.00 0.00 C ATOM 192 O GLN A 90 47.334 1.908 5.358 1.00 0.00 O ATOM 193 CB GLN A 90 49.108 4.263 6.816 1.00 0.00 C ATOM 194 CG GLN A 90 48.701 4.864 5.449 1.00 0.00 C ATOM 195 CD GLN A 90 49.386 6.179 5.116 1.00 0.00 C ATOM 196 OE1 GLN A 90 50.527 6.096 4.438 1.00 0.00 O flip ATOM 197 NE2 GLN A 90 48.889 7.253 5.452 1.00 0.00 N flip ATOM 0 H GLN A 90 51.064 2.942 7.176 1.00 0.00 H new ATOM 0 HA GLN A 90 48.292 2.416 7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.483 4.712 7.588 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.136 4.556 7.028 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.927 4.141 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 90 47.622 5.017 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 90 48.011 7.268 5.972 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.355 8.128 5.211 1.00 0.00 H new ATOM 206 N GLN A 91 49.486 1.876 4.729 1.00 0.00 N ATOM 207 CA GLN A 91 49.195 1.565 3.352 1.00 0.00 C ATOM 208 C GLN A 91 48.877 0.093 3.077 1.00 0.00 C ATOM 209 O GLN A 91 47.752 -0.238 2.750 1.00 0.00 O ATOM 210 CB GLN A 91 50.327 2.055 2.435 1.00 0.00 C ATOM 211 CG GLN A 91 49.997 1.920 0.952 1.00 0.00 C ATOM 212 CD GLN A 91 48.786 2.739 0.564 1.00 0.00 C ATOM 213 OE1 GLN A 91 48.632 3.873 1.189 1.00 0.00 O flip ATOM 214 NE2 GLN A 91 48.027 2.367 -0.331 1.00 0.00 N flip ATOM 0 H GLN A 91 50.479 1.879 4.960 1.00 0.00 H new ATOM 0 HA GLN A 91 48.274 2.103 3.126 1.00 0.00 H new ATOM 0 HB2 GLN A 91 50.542 3.100 2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.233 1.489 2.652 1.00 0.00 H new ATOM 0 HG2 GLN A 91 50.855 2.238 0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 91 49.817 0.872 0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 91 48.184 1.472 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 91 47.241 2.954 -0.610 1.00 0.00 H new ATOM 223 N TYR A 92 49.853 -0.772 3.227 1.00 0.00 N ATOM 224 CA TYR A 92 49.710 -2.168 2.784 1.00 0.00 C ATOM 225 C TYR A 92 48.939 -3.037 3.730 1.00 0.00 C ATOM 226 O TYR A 92 48.542 -4.146 3.377 1.00 0.00 O ATOM 227 CB TYR A 92 51.069 -2.789 2.535 1.00 0.00 C ATOM 228 CG TYR A 92 51.708 -2.265 1.292 1.00 0.00 C ATOM 229 CD1 TYR A 92 52.067 -0.953 1.215 1.00 0.00 C ATOM 230 CD2 TYR A 92 51.919 -3.063 0.178 1.00 0.00 C ATOM 231 CE1 TYR A 92 52.607 -0.423 0.099 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.478 -2.532 -0.952 1.00 0.00 C ATOM 233 CZ TYR A 92 52.813 -1.194 -0.975 1.00 0.00 C ATOM 234 OH TYR A 92 53.364 -0.635 -2.084 1.00 0.00 O ATOM 0 H TYR A 92 50.755 -0.550 3.648 1.00 0.00 H new ATOM 0 HA TYR A 92 49.133 -2.118 1.860 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.719 -2.591 3.387 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.964 -3.871 2.459 1.00 0.00 H new ATOM 0 HD1 TYR A 92 51.914 -0.318 2.075 1.00 0.00 H new ATOM 0 HD2 TYR A 92 51.641 -4.106 0.202 1.00 0.00 H new ATOM 0 HE1 TYR A 92 52.873 0.623 0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 92 52.655 -3.154 -1.817 1.00 0.00 H new ATOM 0 HH TYR A 92 53.224 -1.227 -2.853 1.00 0.00 H new ATOM 244 N ASN A 93 48.792 -2.549 4.954 1.00 0.00 N ATOM 245 CA ASN A 93 48.166 -3.288 6.094 1.00 0.00 C ATOM 246 C ASN A 93 49.099 -4.396 6.534 1.00 0.00 C ATOM 247 O ASN A 93 48.784 -5.228 7.381 1.00 0.00 O ATOM 248 CB ASN A 93 46.750 -3.846 5.787 1.00 0.00 C ATOM 249 CG ASN A 93 45.727 -2.769 5.490 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.515 -2.394 4.337 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.078 -2.268 6.508 1.00 0.00 N ATOM 0 H ASN A 93 49.103 -1.612 5.210 1.00 0.00 H new ATOM 0 HA ASN A 93 48.018 -2.569 6.900 1.00 0.00 H new ATOM 0 HB2 ASN A 93 46.812 -4.522 4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.408 -4.436 6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.374 -1.546 6.358 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.276 -2.599 7.452 1.00 0.00 H new ATOM 258 N LYS A 94 50.254 -4.356 5.939 1.00 0.00 N ATOM 259 CA LYS A 94 51.340 -5.202 6.171 1.00 0.00 C ATOM 260 C LYS A 94 52.532 -4.244 6.097 1.00 0.00 C ATOM 261 O LYS A 94 52.761 -3.592 5.079 1.00 0.00 O ATOM 262 CB LYS A 94 51.331 -6.369 5.123 1.00 0.00 C ATOM 263 CG LYS A 94 51.985 -6.119 3.815 1.00 0.00 C ATOM 264 CD LYS A 94 53.352 -6.730 3.818 1.00 0.00 C ATOM 265 CE LYS A 94 53.356 -8.216 3.427 1.00 0.00 C ATOM 266 NZ LYS A 94 52.811 -8.473 2.075 1.00 0.00 N ATOM 0 H LYS A 94 50.457 -3.662 5.219 1.00 0.00 H new ATOM 0 HA LYS A 94 51.346 -5.729 7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 94 51.811 -7.235 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 94 50.293 -6.643 4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 94 51.386 -6.544 3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 94 52.054 -5.047 3.629 1.00 0.00 H new ATOM 0 HD2 LYS A 94 53.990 -6.178 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 94 53.788 -6.622 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 94 54.377 -8.594 3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 94 52.773 -8.777 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 53.140 -9.400 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 51.772 -8.468 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 53.137 -7.732 1.422 1.00 0.00 H new ATOM 280 N PRO A 95 53.189 -4.020 7.214 1.00 0.00 N ATOM 281 CA PRO A 95 54.219 -3.003 7.322 1.00 0.00 C ATOM 282 C PRO A 95 55.543 -3.459 6.768 1.00 0.00 C ATOM 283 O PRO A 95 55.672 -4.573 6.323 1.00 0.00 O ATOM 284 CB PRO A 95 54.331 -2.798 8.827 1.00 0.00 C ATOM 285 CG PRO A 95 53.997 -4.127 9.409 1.00 0.00 C ATOM 286 CD PRO A 95 53.004 -4.757 8.471 1.00 0.00 C ATOM 0 HA PRO A 95 53.968 -2.105 6.758 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.334 -2.481 9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.643 -2.028 9.175 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.889 -4.746 9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.575 -4.020 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.197 -5.822 8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.985 -4.660 8.845 1.00 0.00 H new ATOM 294 N LEU A 96 56.532 -2.599 6.857 1.00 0.00 N ATOM 295 CA LEU A 96 57.891 -2.887 6.443 1.00 0.00 C ATOM 296 C LEU A 96 58.413 -4.078 7.210 1.00 0.00 C ATOM 297 O LEU A 96 59.104 -4.884 6.668 1.00 0.00 O ATOM 298 CB LEU A 96 58.751 -1.670 6.699 1.00 0.00 C ATOM 299 CG LEU A 96 58.471 -0.473 5.812 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.425 0.391 6.377 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.710 0.289 5.548 1.00 0.00 C ATOM 0 H LEU A 96 56.413 -1.656 7.228 1.00 0.00 H new ATOM 0 HA LEU A 96 57.916 -3.124 5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.622 -1.368 7.738 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.796 -1.954 6.577 1.00 0.00 H new ATOM 0 HG LEU A 96 58.097 -0.850 4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.254 1.237 5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.502 -0.178 6.485 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.743 0.756 7.354 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.483 1.143 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.128 0.642 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.434 -0.355 5.049 1.00 0.00 H new ATOM 313 N SER A 97 57.982 -4.230 8.449 1.00 0.00 N ATOM 314 CA SER A 97 58.361 -5.370 9.282 1.00 0.00 C ATOM 315 C SER A 97 57.900 -6.715 8.655 1.00 0.00 C ATOM 316 O SER A 97 58.408 -7.794 9.005 1.00 0.00 O ATOM 317 CB SER A 97 57.700 -5.207 10.646 1.00 0.00 C ATOM 318 OG SER A 97 57.912 -3.900 11.152 1.00 0.00 O ATOM 0 H SER A 97 57.358 -3.569 8.912 1.00 0.00 H new ATOM 0 HA SER A 97 59.447 -5.393 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 97 56.631 -5.401 10.563 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.105 -5.942 11.342 1.00 0.00 H new ATOM 0 HG SER A 97 57.479 -3.814 12.027 1.00 0.00 H new ATOM 324 N ASP A 98 56.954 -6.637 7.732 1.00 0.00 N ATOM 325 CA ASP A 98 56.364 -7.816 7.137 1.00 0.00 C ATOM 326 C ASP A 98 56.548 -7.813 5.613 1.00 0.00 C ATOM 327 O ASP A 98 56.529 -8.860 4.976 1.00 0.00 O ATOM 328 CB ASP A 98 54.872 -7.806 7.449 1.00 0.00 C ATOM 329 CG ASP A 98 54.169 -9.131 7.208 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.110 -9.959 8.136 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.617 -9.353 6.131 1.00 0.00 O ATOM 0 H ASP A 98 56.578 -5.757 7.379 1.00 0.00 H new ATOM 0 HA ASP A 98 56.850 -8.703 7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.734 -7.520 8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.392 -7.039 6.842 1.00 0.00 H new ATOM 336 N LEU A 99 56.761 -6.635 5.039 1.00 0.00 N ATOM 337 CA LEU A 99 56.771 -6.475 3.604 1.00 0.00 C ATOM 338 C LEU A 99 58.150 -6.744 3.062 1.00 0.00 C ATOM 339 O LEU A 99 59.147 -6.275 3.647 1.00 0.00 O ATOM 340 CB LEU A 99 56.345 -5.025 3.272 1.00 0.00 C ATOM 341 CG LEU A 99 56.162 -4.639 1.788 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.896 -5.231 1.232 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.141 -3.135 1.615 1.00 0.00 C ATOM 0 H LEU A 99 56.930 -5.773 5.558 1.00 0.00 H new ATOM 0 HA LEU A 99 56.079 -7.182 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.404 -4.829 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.088 -4.353 3.701 1.00 0.00 H new ATOM 0 HG LEU A 99 57.012 -5.042 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.790 -4.945 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.938 -6.317 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 99 54.042 -4.860 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 99 56.011 -2.892 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.315 -2.714 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.082 -2.715 1.971 1.00 0.00 H new ATOM 355 N LEU A 100 58.232 -7.534 1.993 1.00 0.00 N ATOM 356 CA LEU A 100 59.489 -7.710 1.325 1.00 0.00 C ATOM 357 C LEU A 100 59.782 -6.377 0.706 1.00 0.00 C ATOM 358 O LEU A 100 58.978 -5.822 -0.028 1.00 0.00 O ATOM 359 CB LEU A 100 59.443 -8.772 0.245 1.00 0.00 C ATOM 360 CG LEU A 100 60.795 -9.491 -0.117 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.630 -10.331 -1.345 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.957 -8.535 -0.331 1.00 0.00 C ATOM 0 H LEU A 100 57.450 -8.048 1.588 1.00 0.00 H new ATOM 0 HA LEU A 100 60.250 -8.043 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.727 -9.534 0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.051 -8.313 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 100 61.037 -10.111 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.575 -10.821 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.864 -11.086 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.331 -9.699 -2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.855 -9.103 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.722 -7.855 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.129 -7.961 0.580 1.00 0.00 H new ATOM 374 N ILE A 101 60.870 -5.869 1.022 1.00 0.00 N ATOM 375 CA ILE A 101 61.208 -4.572 0.675 1.00 0.00 C ATOM 376 C ILE A 101 62.655 -4.569 0.209 1.00 0.00 C ATOM 377 O ILE A 101 63.447 -5.293 0.762 1.00 0.00 O ATOM 378 CB ILE A 101 60.969 -3.772 1.947 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.714 -2.939 1.783 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.174 -2.940 2.353 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.149 -2.331 2.989 1.00 0.00 C ATOM 0 H ILE A 101 61.589 -6.359 1.554 1.00 0.00 H new ATOM 0 HA ILE A 101 60.630 -4.143 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 101 60.821 -4.469 2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.929 -2.141 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.947 -3.569 1.332 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.946 -2.391 3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.027 -3.596 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.415 -2.236 1.557 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.256 -1.764 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.887 -3.113 3.702 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.884 -1.662 3.438 1.00 0.00 H new ATOM 393 N ARG A 102 63.000 -3.811 -0.829 1.00 0.00 N ATOM 394 CA ARG A 102 64.369 -3.875 -1.372 1.00 0.00 C ATOM 395 C ARG A 102 64.884 -2.547 -1.784 1.00 0.00 C ATOM 396 O ARG A 102 64.125 -1.650 -2.008 1.00 0.00 O ATOM 397 CB ARG A 102 64.450 -4.804 -2.588 1.00 0.00 C ATOM 398 CG ARG A 102 64.055 -6.218 -2.321 1.00 0.00 C ATOM 399 CD ARG A 102 63.992 -7.054 -3.558 1.00 0.00 C ATOM 400 NE ARG A 102 63.641 -8.411 -3.223 1.00 0.00 N ATOM 401 CZ ARG A 102 64.333 -9.511 -3.594 1.00 0.00 C ATOM 402 NH1 ARG A 102 65.495 -9.395 -4.246 1.00 0.00 N ATOM 403 NH2 ARG A 102 63.876 -10.714 -3.278 1.00 0.00 N ATOM 0 H ARG A 102 62.376 -3.160 -1.305 1.00 0.00 H new ATOM 0 HA ARG A 102 64.982 -4.261 -0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.811 -4.405 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.471 -4.792 -2.969 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.767 -6.662 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.081 -6.230 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 102 63.257 -6.640 -4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.955 -7.035 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 102 62.802 -8.553 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 102 65.866 -8.471 -4.467 1.00 0.00 H new ATOM 0 HH12 ARG A 102 66.011 -10.231 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 102 63.004 -10.808 -2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 102 64.396 -11.546 -3.556 1.00 0.00 H new ATOM 417 N CYS A 103 66.209 -2.440 -1.854 1.00 0.00 N ATOM 418 CA CYS A 103 66.863 -1.305 -2.388 1.00 0.00 C ATOM 419 C CYS A 103 66.340 -1.064 -3.833 1.00 0.00 C ATOM 420 O CYS A 103 65.901 -2.014 -4.502 1.00 0.00 O ATOM 421 CB CYS A 103 68.340 -1.562 -2.470 1.00 0.00 C ATOM 422 SG CYS A 103 69.276 0.013 -2.609 1.00 0.00 S ATOM 0 H CYS A 103 66.847 -3.167 -1.529 1.00 0.00 H new ATOM 0 HA CYS A 103 66.668 -0.443 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.668 -2.107 -1.585 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.555 -2.194 -3.331 1.00 0.00 H new ATOM 427 N ILE A 104 66.421 0.133 -4.324 1.00 0.00 N ATOM 428 CA ILE A 104 65.883 0.421 -5.620 1.00 0.00 C ATOM 429 C ILE A 104 66.900 0.163 -6.689 1.00 0.00 C ATOM 430 O ILE A 104 66.617 -0.413 -7.724 1.00 0.00 O ATOM 431 CB ILE A 104 65.254 1.842 -5.683 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.408 1.978 -6.909 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.292 2.922 -5.671 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.411 3.048 -6.768 1.00 0.00 C ATOM 0 H ILE A 104 66.853 0.926 -3.850 1.00 0.00 H new ATOM 0 HA ILE A 104 65.058 -0.265 -5.811 1.00 0.00 H new ATOM 0 HB ILE A 104 64.639 1.960 -4.791 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.045 2.186 -7.769 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.902 1.033 -7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.804 3.896 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 104 66.879 2.852 -4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.949 2.805 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.817 3.114 -7.680 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.757 2.827 -5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.918 3.997 -6.595 1.00 0.00 H new ATOM 446 N ASN A 105 68.096 0.479 -6.361 1.00 0.00 N ATOM 447 CA ASN A 105 69.230 0.319 -7.219 1.00 0.00 C ATOM 448 C ASN A 105 69.903 -0.972 -6.895 1.00 0.00 C ATOM 449 O ASN A 105 70.603 -1.517 -7.732 1.00 0.00 O ATOM 450 CB ASN A 105 70.240 1.440 -6.990 1.00 0.00 C ATOM 451 CG ASN A 105 69.770 2.402 -6.041 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.888 1.998 -4.855 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.225 3.451 -6.369 1.00 0.00 N flip ATOM 0 H ASN A 105 68.332 0.874 -5.451 1.00 0.00 H new ATOM 0 HA ASN A 105 68.887 0.340 -8.253 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.180 1.014 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.449 1.938 -7.937 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.169 3.710 -7.354 1.00 0.00 H new ATOM 0 HD22 ASN A 105 68.828 4.064 -5.657 1.00 0.00 H new ATOM 460 N CYS A 106 69.734 -1.488 -5.663 1.00 0.00 N ATOM 461 CA CYS A 106 70.380 -2.740 -5.397 1.00 0.00 C ATOM 462 C CYS A 106 69.506 -3.928 -5.716 1.00 0.00 C ATOM 463 O CYS A 106 69.989 -4.939 -6.212 1.00 0.00 O ATOM 464 CB CYS A 106 70.926 -2.959 -3.979 1.00 0.00 C ATOM 465 SG CYS A 106 72.325 -1.978 -3.475 1.00 0.00 S ATOM 0 H CYS A 106 69.193 -1.078 -4.901 1.00 0.00 H new ATOM 0 HA CYS A 106 71.237 -2.668 -6.067 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.115 -2.775 -3.274 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.200 -4.010 -3.883 1.00 0.00 H new ATOM 470 N GLN A 107 68.215 -3.789 -5.378 1.00 0.00 N ATOM 471 CA GLN A 107 67.241 -4.854 -5.408 1.00 0.00 C ATOM 472 C GLN A 107 67.490 -5.850 -4.291 1.00 0.00 C ATOM 473 O GLN A 107 66.964 -6.966 -4.269 1.00 0.00 O ATOM 474 CB GLN A 107 67.119 -5.502 -6.736 1.00 0.00 C ATOM 475 CG GLN A 107 66.565 -4.566 -7.753 1.00 0.00 C ATOM 476 CD GLN A 107 67.607 -4.152 -8.777 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.795 -4.796 -9.809 1.00 0.00 O ATOM 478 NE2 GLN A 107 68.255 -3.060 -8.506 1.00 0.00 N ATOM 0 H GLN A 107 67.823 -2.899 -5.069 1.00 0.00 H new ATOM 0 HA GLN A 107 66.268 -4.396 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 107 68.098 -5.855 -7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.474 -6.377 -6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.726 -5.040 -8.262 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.175 -3.679 -7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 107 68.067 -2.558 -7.638 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.952 -2.705 -9.161 1.00 0.00 H new ATOM 487 N LYS A 108 68.260 -5.379 -3.342 1.00 0.00 N ATOM 488 CA LYS A 108 68.598 -6.057 -2.127 1.00 0.00 C ATOM 489 C LYS A 108 67.536 -5.781 -1.130 1.00 0.00 C ATOM 490 O LYS A 108 67.242 -4.633 -0.870 1.00 0.00 O ATOM 491 CB LYS A 108 69.840 -5.440 -1.591 1.00 0.00 C ATOM 492 CG LYS A 108 70.242 -5.995 -0.273 1.00 0.00 C ATOM 493 CD LYS A 108 71.168 -5.074 0.447 1.00 0.00 C ATOM 494 CE LYS A 108 70.397 -3.939 1.080 1.00 0.00 C ATOM 495 NZ LYS A 108 71.289 -3.088 1.886 1.00 0.00 N ATOM 0 H LYS A 108 68.690 -4.457 -3.406 1.00 0.00 H new ATOM 0 HA LYS A 108 68.714 -7.125 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.650 -5.589 -2.304 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.693 -4.364 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.355 -6.170 0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.726 -6.961 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.714 -5.623 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.908 -4.676 -0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.919 -3.341 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.602 -4.339 1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.761 -2.698 2.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.087 -3.655 2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.650 -2.309 1.299 1.00 0.00 H new ATOM 509 N PRO A 109 66.976 -6.786 -0.547 1.00 0.00 N ATOM 510 CA PRO A 109 65.955 -6.611 0.431 1.00 0.00 C ATOM 511 C PRO A 109 66.460 -5.955 1.736 1.00 0.00 C ATOM 512 O PRO A 109 67.253 -6.539 2.494 1.00 0.00 O ATOM 513 CB PRO A 109 65.367 -7.989 0.646 1.00 0.00 C ATOM 514 CG PRO A 109 66.155 -8.921 -0.229 1.00 0.00 C ATOM 515 CD PRO A 109 67.299 -8.179 -0.791 1.00 0.00 C ATOM 0 HA PRO A 109 65.198 -5.907 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.439 -8.284 1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.310 -8.007 0.381 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.505 -9.777 0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.527 -9.311 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.234 -8.462 -0.306 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.419 -8.379 -1.856 1.00 0.00 H new ATOM 523 N LEU A 110 65.989 -4.742 1.964 1.00 0.00 N ATOM 524 CA LEU A 110 66.377 -3.905 3.089 1.00 0.00 C ATOM 525 C LEU A 110 65.719 -4.399 4.321 1.00 0.00 C ATOM 526 O LEU A 110 64.523 -4.668 4.347 1.00 0.00 O ATOM 527 CB LEU A 110 65.981 -2.444 2.845 1.00 0.00 C ATOM 528 CG LEU A 110 66.293 -1.860 1.487 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.983 -0.394 1.472 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.719 -2.079 1.154 1.00 0.00 C ATOM 0 H LEU A 110 65.304 -4.297 1.353 1.00 0.00 H new ATOM 0 HA LEU A 110 67.460 -3.954 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.908 -2.353 3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.475 -1.830 3.598 1.00 0.00 H new ATOM 0 HG LEU A 110 65.675 -2.359 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.212 0.016 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.926 -0.243 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.586 0.113 2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.933 -1.654 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.346 -1.596 1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.929 -3.148 1.140 1.00 0.00 H new ATOM 542 N SER A 111 66.497 -4.533 5.316 1.00 0.00 N ATOM 543 CA SER A 111 66.063 -5.011 6.583 1.00 0.00 C ATOM 544 C SER A 111 65.627 -3.788 7.411 1.00 0.00 C ATOM 545 O SER A 111 65.729 -2.655 6.897 1.00 0.00 O ATOM 546 CB SER A 111 67.244 -5.760 7.216 1.00 0.00 C ATOM 547 OG SER A 111 67.758 -6.742 6.324 1.00 0.00 O ATOM 0 H SER A 111 67.491 -4.308 5.281 1.00 0.00 H new ATOM 0 HA SER A 111 65.218 -5.697 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 111 68.031 -5.052 7.477 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.923 -6.236 8.142 1.00 0.00 H new ATOM 0 HG SER A 111 68.511 -7.206 6.747 1.00 0.00 H new ATOM 553 N PRO A 112 65.116 -3.954 8.677 1.00 0.00 N ATOM 554 CA PRO A 112 64.703 -2.823 9.539 1.00 0.00 C ATOM 555 C PRO A 112 65.748 -1.704 9.593 1.00 0.00 C ATOM 556 O PRO A 112 65.404 -0.548 9.783 1.00 0.00 O ATOM 557 CB PRO A 112 64.540 -3.464 10.909 1.00 0.00 C ATOM 558 CG PRO A 112 64.123 -4.852 10.605 1.00 0.00 C ATOM 559 CD PRO A 112 64.857 -5.248 9.360 1.00 0.00 C ATOM 0 HA PRO A 112 63.799 -2.342 9.165 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.472 -3.441 11.474 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.792 -2.944 11.507 1.00 0.00 H new ATOM 0 HG2 PRO A 112 64.367 -5.521 11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 112 63.045 -4.910 10.456 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.785 -5.771 9.591 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.261 -5.916 8.739 1.00 0.00 H new ATOM 567 N GLU A 113 67.015 -2.065 9.410 1.00 0.00 N ATOM 568 CA GLU A 113 68.099 -1.103 9.331 1.00 0.00 C ATOM 569 C GLU A 113 67.848 -0.041 8.252 1.00 0.00 C ATOM 570 O GLU A 113 67.898 1.155 8.527 1.00 0.00 O ATOM 571 CB GLU A 113 69.459 -1.805 9.119 1.00 0.00 C ATOM 572 CG GLU A 113 69.538 -2.793 7.948 1.00 0.00 C ATOM 573 CD GLU A 113 70.916 -3.421 7.817 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.860 -2.752 7.358 1.00 0.00 O ATOM 575 OE2 GLU A 113 71.082 -4.610 8.173 1.00 0.00 O ATOM 0 H GLU A 113 67.315 -3.035 9.313 1.00 0.00 H new ATOM 0 HA GLU A 113 68.136 -0.585 10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.220 -1.039 8.972 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.715 -2.338 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.795 -3.578 8.087 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.287 -2.276 7.022 1.00 0.00 H new ATOM 582 N GLU A 114 67.513 -0.470 7.058 1.00 0.00 N ATOM 583 CA GLU A 114 67.342 0.444 5.972 1.00 0.00 C ATOM 584 C GLU A 114 65.895 0.864 5.798 1.00 0.00 C ATOM 585 O GLU A 114 65.604 1.927 5.289 1.00 0.00 O ATOM 586 CB GLU A 114 67.999 -0.158 4.779 1.00 0.00 C ATOM 587 CG GLU A 114 69.478 -0.145 4.989 1.00 0.00 C ATOM 588 CD GLU A 114 70.245 -1.106 4.177 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.750 -2.194 3.882 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.409 -0.807 3.830 1.00 0.00 O ATOM 0 H GLU A 114 67.355 -1.450 6.822 1.00 0.00 H new ATOM 0 HA GLU A 114 67.831 1.398 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.648 -1.179 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.740 0.403 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.848 0.858 4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.679 -0.344 6.042 1.00 0.00 H new ATOM 597 N LYS A 115 65.003 0.048 6.295 1.00 0.00 N ATOM 598 CA LYS A 115 63.583 0.386 6.393 1.00 0.00 C ATOM 599 C LYS A 115 63.402 1.571 7.313 1.00 0.00 C ATOM 600 O LYS A 115 62.625 2.468 7.042 1.00 0.00 O ATOM 601 CB LYS A 115 62.850 -0.806 6.956 1.00 0.00 C ATOM 602 CG LYS A 115 62.628 -1.907 5.941 1.00 0.00 C ATOM 603 CD LYS A 115 62.046 -3.206 6.516 1.00 0.00 C ATOM 604 CE LYS A 115 61.685 -4.136 5.376 1.00 0.00 C ATOM 605 NZ LYS A 115 61.461 -5.541 5.779 1.00 0.00 N ATOM 0 H LYS A 115 65.230 -0.881 6.650 1.00 0.00 H new ATOM 0 HA LYS A 115 63.190 0.641 5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.414 -1.206 7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.885 -0.480 7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.957 -1.537 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.579 -2.134 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.771 -3.683 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.163 -2.988 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.784 -3.762 4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.482 -4.107 4.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.370 -6.135 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.266 -5.871 6.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.589 -5.606 6.342 1.00 0.00 H new ATOM 619 N GLN A 116 64.170 1.598 8.386 1.00 0.00 N ATOM 620 CA GLN A 116 64.121 2.685 9.357 1.00 0.00 C ATOM 621 C GLN A 116 64.699 3.922 8.811 1.00 0.00 C ATOM 622 O GLN A 116 64.516 4.976 9.348 1.00 0.00 O ATOM 623 CB GLN A 116 64.799 2.298 10.648 1.00 0.00 C ATOM 624 CG GLN A 116 63.848 2.071 11.829 1.00 0.00 C ATOM 625 CD GLN A 116 62.801 0.946 11.646 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.387 0.673 10.434 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.381 0.331 12.615 1.00 0.00 N flip ATOM 0 H GLN A 116 64.847 0.869 8.613 1.00 0.00 H new ATOM 0 HA GLN A 116 63.070 2.878 9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.374 1.387 10.482 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.510 3.079 10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.445 1.846 12.713 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.320 3.003 12.030 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.718 0.561 13.550 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.694 -0.412 12.489 1.00 0.00 H new ATOM 636 N ARG A 117 65.331 3.804 7.714 1.00 0.00 N ATOM 637 CA ARG A 117 65.882 4.968 7.095 1.00 0.00 C ATOM 638 C ARG A 117 64.727 5.710 6.429 1.00 0.00 C ATOM 639 O ARG A 117 64.662 6.932 6.408 1.00 0.00 O ATOM 640 CB ARG A 117 66.943 4.609 6.071 1.00 0.00 C ATOM 641 CG ARG A 117 67.960 5.683 5.917 1.00 0.00 C ATOM 642 CD ARG A 117 69.004 5.289 4.934 1.00 0.00 C ATOM 643 NE ARG A 117 70.141 6.232 4.942 1.00 0.00 N ATOM 644 CZ ARG A 117 71.078 6.331 5.916 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.062 5.505 6.971 1.00 0.00 N ATOM 646 NH2 ARG A 117 72.020 7.266 5.837 1.00 0.00 N ATOM 0 H ARG A 117 65.487 2.927 7.218 1.00 0.00 H new ATOM 0 HA ARG A 117 66.371 5.591 7.843 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.436 3.684 6.370 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.468 4.420 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 117 67.476 6.603 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.423 5.892 6.881 1.00 0.00 H new ATOM 0 HD2 ARG A 117 69.361 4.285 5.164 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.569 5.251 3.935 1.00 0.00 H new ATOM 0 HE ARG A 117 70.228 6.863 4.146 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.338 4.790 7.048 1.00 0.00 H new ATOM 0 HH12 ARG A 117 71.774 5.591 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 117 72.037 7.907 5.044 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.726 7.342 6.569 1.00 0.00 H new ATOM 660 N HIS A 118 63.778 4.943 5.978 1.00 0.00 N ATOM 661 CA HIS A 118 62.611 5.460 5.317 1.00 0.00 C ATOM 662 C HIS A 118 61.537 5.795 6.328 1.00 0.00 C ATOM 663 O HIS A 118 60.619 6.555 6.049 1.00 0.00 O ATOM 664 CB HIS A 118 62.111 4.447 4.291 1.00 0.00 C ATOM 665 CG HIS A 118 63.163 4.150 3.235 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.784 5.135 2.524 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.804 3.009 2.901 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.782 4.592 1.833 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.832 3.300 2.012 1.00 0.00 N ATOM 0 H HIS A 118 63.791 3.926 6.059 1.00 0.00 H new ATOM 0 HA HIS A 118 62.870 6.380 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.833 3.523 4.798 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.211 4.830 3.810 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.526 6.122 2.523 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.556 2.024 3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.463 5.148 1.205 1.00 0.00 H new ATOM 677 N LEU A 119 61.664 5.238 7.509 1.00 0.00 N ATOM 678 CA LEU A 119 60.708 5.476 8.573 1.00 0.00 C ATOM 679 C LEU A 119 61.173 6.582 9.500 1.00 0.00 C ATOM 680 O LEU A 119 60.472 7.566 9.688 1.00 0.00 O ATOM 681 CB LEU A 119 60.435 4.205 9.365 1.00 0.00 C ATOM 682 CG LEU A 119 60.044 2.979 8.549 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.607 1.844 9.436 1.00 0.00 C ATOM 684 CD2 LEU A 119 58.968 3.313 7.584 1.00 0.00 C ATOM 0 H LEU A 119 62.427 4.610 7.762 1.00 0.00 H new ATOM 0 HA LEU A 119 59.778 5.795 8.102 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.327 3.963 9.943 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.638 4.410 10.080 1.00 0.00 H new ATOM 0 HG LEU A 119 60.927 2.658 7.997 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.335 0.986 8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.424 1.568 10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.745 2.155 10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.704 2.424 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.092 3.670 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.317 4.091 6.905 1.00 0.00 H new ATOM 696 N ASP A 120 62.343 6.411 10.076 1.00 0.00 N ATOM 697 CA ASP A 120 62.926 7.425 10.990 1.00 0.00 C ATOM 698 C ASP A 120 63.257 8.695 10.252 1.00 0.00 C ATOM 699 O ASP A 120 62.690 9.751 10.522 1.00 0.00 O ATOM 700 CB ASP A 120 64.212 6.926 11.610 1.00 0.00 C ATOM 701 CG ASP A 120 64.741 7.867 12.661 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.160 7.923 13.763 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.763 8.546 12.413 1.00 0.00 O ATOM 0 H ASP A 120 62.926 5.585 9.941 1.00 0.00 H new ATOM 0 HA ASP A 120 62.177 7.612 11.759 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.042 5.946 12.055 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.963 6.796 10.830 1.00 0.00 H new ATOM 708 N LYS A 121 64.160 8.576 9.273 1.00 0.00 N ATOM 709 CA LYS A 121 64.614 9.736 8.501 1.00 0.00 C ATOM 710 C LYS A 121 63.581 10.091 7.473 1.00 0.00 C ATOM 711 O LYS A 121 63.693 11.107 6.781 1.00 0.00 O ATOM 712 CB LYS A 121 65.929 9.468 7.800 1.00 0.00 C ATOM 713 CG LYS A 121 66.993 8.879 8.680 1.00 0.00 C ATOM 714 CD LYS A 121 68.301 8.789 7.925 1.00 0.00 C ATOM 715 CE LYS A 121 69.275 7.881 8.619 1.00 0.00 C ATOM 716 NZ LYS A 121 69.674 8.353 9.965 1.00 0.00 N ATOM 0 H LYS A 121 64.589 7.692 8.998 1.00 0.00 H new ATOM 0 HA LYS A 121 64.760 10.559 9.200 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.750 8.791 6.965 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.299 10.403 7.379 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.120 9.494 9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.690 7.888 9.017 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.115 8.422 6.916 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.735 9.784 7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.833 6.889 8.708 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.167 7.779 8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.372 7.697 10.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 70.093 9.302 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.837 8.392 10.581 1.00 0.00 H new ATOM 730 N LYS A 122 62.609 9.192 7.342 1.00 0.00 N ATOM 731 CA LYS A 122 61.437 9.364 6.508 1.00 0.00 C ATOM 732 C LYS A 122 61.826 9.542 5.047 1.00 0.00 C ATOM 733 O LYS A 122 61.198 10.307 4.312 1.00 0.00 O ATOM 734 CB LYS A 122 60.646 10.559 7.009 1.00 0.00 C ATOM 735 CG LYS A 122 60.364 10.531 8.484 1.00 0.00 C ATOM 736 CD LYS A 122 59.690 11.792 8.956 1.00 0.00 C ATOM 737 CE LYS A 122 59.529 11.784 10.465 1.00 0.00 C ATOM 738 NZ LYS A 122 60.839 11.719 11.173 1.00 0.00 N ATOM 0 H LYS A 122 62.622 8.297 7.832 1.00 0.00 H new ATOM 0 HA LYS A 122 60.818 8.469 6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.195 11.470 6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.700 10.607 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.732 9.674 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.298 10.394 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 122 60.277 12.659 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.713 11.887 8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.995 12.682 10.776 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.917 10.931 10.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 60.689 11.852 12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 61.278 10.791 11.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 61.465 12.468 10.815 1.00 0.00 H new ATOM 752 N GLN A 123 62.852 8.826 4.623 1.00 0.00 N ATOM 753 CA GLN A 123 63.311 8.929 3.254 1.00 0.00 C ATOM 754 C GLN A 123 62.257 8.413 2.285 1.00 0.00 C ATOM 755 O GLN A 123 61.468 7.507 2.608 1.00 0.00 O ATOM 756 CB GLN A 123 64.635 8.199 3.022 1.00 0.00 C ATOM 757 CG GLN A 123 65.716 8.537 4.002 1.00 0.00 C ATOM 758 CD GLN A 123 67.059 8.084 3.570 1.00 0.00 C ATOM 759 OE1 GLN A 123 67.194 7.129 2.814 1.00 0.00 O ATOM 760 NE2 GLN A 123 68.064 8.733 4.078 1.00 0.00 N ATOM 0 H GLN A 123 63.378 8.173 5.203 1.00 0.00 H new ATOM 0 HA GLN A 123 63.483 9.989 3.066 1.00 0.00 H new ATOM 0 HB2 GLN A 123 64.453 7.125 3.058 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.990 8.428 2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.735 9.616 4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.479 8.084 4.965 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.898 9.522 4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 123 69.018 8.453 3.852 1.00 0.00 H new ATOM 769 N ARG A 124 62.275 8.972 1.117 1.00 0.00 N ATOM 770 CA ARG A 124 61.322 8.669 0.092 1.00 0.00 C ATOM 771 C ARG A 124 61.786 7.483 -0.721 1.00 0.00 C ATOM 772 O ARG A 124 62.953 7.403 -1.111 1.00 0.00 O ATOM 773 CB ARG A 124 61.154 9.879 -0.815 1.00 0.00 C ATOM 774 CG ARG A 124 60.635 11.112 -0.104 1.00 0.00 C ATOM 775 CD ARG A 124 60.674 12.328 -1.005 1.00 0.00 C ATOM 776 NE ARG A 124 59.867 12.158 -2.209 1.00 0.00 N ATOM 777 CZ ARG A 124 60.266 12.446 -3.457 1.00 0.00 C ATOM 778 NH1 ARG A 124 61.524 12.834 -3.706 1.00 0.00 N ATOM 779 NH2 ARG A 124 59.416 12.328 -4.451 1.00 0.00 N ATOM 0 H ARG A 124 62.968 9.668 0.841 1.00 0.00 H new ATOM 0 HA ARG A 124 60.367 8.423 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 124 62.115 10.113 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.469 9.623 -1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 124 59.612 10.938 0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 124 61.234 11.299 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A 124 60.317 13.197 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 124 61.706 12.533 -1.289 1.00 0.00 H new ATOM 0 HE ARG A 124 58.923 11.790 -2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 124 62.194 12.914 -2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 124 61.812 13.049 -4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 124 58.461 12.019 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 124 59.711 12.545 -5.403 1.00 0.00 H new ATOM 793 N PHE A 125 60.894 6.586 -0.952 1.00 0.00 N ATOM 794 CA PHE A 125 61.131 5.414 -1.769 1.00 0.00 C ATOM 795 C PHE A 125 59.956 5.232 -2.698 1.00 0.00 C ATOM 796 O PHE A 125 59.089 6.103 -2.762 1.00 0.00 O ATOM 797 CB PHE A 125 61.321 4.148 -0.897 1.00 0.00 C ATOM 798 CG PHE A 125 60.275 3.904 0.164 1.00 0.00 C ATOM 799 CD1 PHE A 125 58.995 4.381 0.038 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.576 3.185 1.279 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.078 4.153 0.976 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.628 2.962 2.232 1.00 0.00 C ATOM 803 CZ PHE A 125 58.400 3.440 2.071 1.00 0.00 C ATOM 0 H PHE A 125 59.948 6.634 -0.574 1.00 0.00 H new ATOM 0 HA PHE A 125 62.048 5.558 -2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.349 3.280 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.294 4.211 -0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.726 4.952 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.572 2.789 1.410 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.077 4.540 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 125 59.876 2.396 3.118 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.651 3.255 2.827 1.00 0.00 H new ATOM 813 N HIS A 126 59.890 4.116 -3.351 1.00 0.00 N ATOM 814 CA HIS A 126 58.795 3.806 -4.200 1.00 0.00 C ATOM 815 C HIS A 126 57.991 2.666 -3.531 1.00 0.00 C ATOM 816 O HIS A 126 58.555 1.896 -2.806 1.00 0.00 O ATOM 817 CB HIS A 126 59.336 3.378 -5.563 1.00 0.00 C ATOM 818 CG HIS A 126 58.302 3.405 -6.613 1.00 0.00 C ATOM 819 ND1 HIS A 126 57.126 2.779 -6.659 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 58.384 4.156 -7.744 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 56.461 3.136 -7.817 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 57.272 3.977 -8.429 1.00 0.00 N flip ATOM 0 H HIS A 126 60.605 3.390 -3.306 1.00 0.00 H new ATOM 0 HA HIS A 126 58.143 4.666 -4.349 1.00 0.00 H new ATOM 0 HB2 HIS A 126 60.156 4.037 -5.848 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.747 2.371 -5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 126 59.213 4.787 -8.030 1.00 0.00 H new ATOM 0 HE1 HIS A 126 55.490 2.800 -8.148 1.00 0.00 H new ATOM 0 HE2 HIS A 126 57.065 4.431 -9.319 1.00 0.00 H new ATOM 830 N ASN A 127 56.672 2.643 -3.734 1.00 0.00 N ATOM 831 CA ASN A 127 55.719 1.600 -3.230 1.00 0.00 C ATOM 832 C ASN A 127 55.261 0.736 -4.383 1.00 0.00 C ATOM 833 O ASN A 127 54.884 1.258 -5.401 1.00 0.00 O ATOM 834 CB ASN A 127 54.478 2.271 -2.619 1.00 0.00 C ATOM 835 CG ASN A 127 54.728 2.893 -1.279 1.00 0.00 C ATOM 836 OD1 ASN A 127 55.956 3.179 -0.999 1.00 0.00 O flip ATOM 837 ND2 ASN A 127 53.815 3.073 -0.487 1.00 0.00 N flip ATOM 0 H ASN A 127 56.201 3.370 -4.273 1.00 0.00 H new ATOM 0 HA ASN A 127 56.229 0.999 -2.477 1.00 0.00 H new ATOM 0 HB2 ASN A 127 54.116 3.038 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.685 1.529 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 127 52.859 2.833 -0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 127 54.009 3.463 0.435 1.00 0.00 H new ATOM 844 N ILE A 128 55.339 -0.579 -4.253 1.00 0.00 N ATOM 845 CA ILE A 128 54.985 -1.477 -5.332 1.00 0.00 C ATOM 846 C ILE A 128 53.993 -2.527 -4.807 1.00 0.00 C ATOM 847 O ILE A 128 53.799 -2.645 -3.626 1.00 0.00 O ATOM 848 CB ILE A 128 56.285 -2.152 -5.945 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.246 -1.072 -6.444 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.943 -3.086 -7.106 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.065 -0.361 -5.432 1.00 0.00 C ATOM 0 H ILE A 128 55.648 -1.048 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 128 54.506 -0.918 -6.136 1.00 0.00 H new ATOM 0 HB ILE A 128 56.753 -2.740 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.925 -1.532 -7.162 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.663 -0.328 -6.987 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.858 -3.529 -7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.280 -3.876 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.447 -2.520 -7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.698 0.375 -5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.409 0.144 -4.723 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.690 -1.078 -4.901 1.00 0.00 H new ATOM 863 N ARG A 129 53.352 -3.247 -5.656 1.00 0.00 N ATOM 864 CA ARG A 129 52.400 -4.224 -5.223 1.00 0.00 C ATOM 865 C ARG A 129 53.109 -5.450 -4.653 1.00 0.00 C ATOM 866 O ARG A 129 53.755 -6.209 -5.377 1.00 0.00 O ATOM 867 CB ARG A 129 51.523 -4.618 -6.382 1.00 0.00 C ATOM 868 CG ARG A 129 50.240 -5.286 -5.986 1.00 0.00 C ATOM 869 CD ARG A 129 49.375 -4.323 -5.198 1.00 0.00 C ATOM 870 NE ARG A 129 48.035 -4.856 -4.964 1.00 0.00 N ATOM 871 CZ ARG A 129 46.926 -4.125 -4.775 1.00 0.00 C ATOM 872 NH1 ARG A 129 46.997 -2.796 -4.664 1.00 0.00 N ATOM 873 NH2 ARG A 129 45.753 -4.735 -4.664 1.00 0.00 N ATOM 0 H ARG A 129 53.467 -3.182 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 129 51.783 -3.793 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.290 -3.727 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 129 52.082 -5.289 -7.034 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.707 -5.623 -6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.452 -6.171 -5.387 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.851 -4.107 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.300 -3.379 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 129 47.934 -5.871 -4.942 1.00 0.00 H new ATOM 0 HH11 ARG A 129 47.901 -2.327 -4.723 1.00 0.00 H new ATOM 0 HH12 ARG A 129 46.147 -2.250 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.699 -5.752 -4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 129 44.905 -4.187 -4.520 1.00 0.00 H new ATOM 887 N GLY A 130 53.048 -5.573 -3.354 1.00 0.00 N ATOM 888 CA GLY A 130 53.570 -6.737 -2.674 1.00 0.00 C ATOM 889 C GLY A 130 54.927 -6.509 -2.067 1.00 0.00 C ATOM 890 O GLY A 130 55.327 -7.216 -1.156 1.00 0.00 O ATOM 0 H GLY A 130 52.637 -4.874 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.874 -7.035 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.629 -7.566 -3.379 1.00 0.00 H new ATOM 894 N ARG A 131 55.638 -5.559 -2.590 1.00 0.00 N ATOM 895 CA ARG A 131 56.977 -5.243 -2.137 1.00 0.00 C ATOM 896 C ARG A 131 57.230 -3.805 -2.432 1.00 0.00 C ATOM 897 O ARG A 131 56.378 -3.150 -2.988 1.00 0.00 O ATOM 898 CB ARG A 131 57.970 -6.037 -2.966 1.00 0.00 C ATOM 899 CG ARG A 131 57.884 -5.662 -4.431 1.00 0.00 C ATOM 900 CD ARG A 131 59.208 -5.244 -4.986 1.00 0.00 C ATOM 901 NE ARG A 131 59.088 -4.914 -6.408 1.00 0.00 N ATOM 902 CZ ARG A 131 59.924 -4.144 -7.109 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.009 -3.627 -6.536 1.00 0.00 N ATOM 904 NH2 ARG A 131 59.685 -3.919 -8.393 1.00 0.00 N ATOM 0 H ARG A 131 55.310 -4.968 -3.354 1.00 0.00 H new ATOM 0 HA ARG A 131 57.078 -5.468 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.981 -5.855 -2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.775 -7.103 -2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.505 -6.511 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.167 -4.850 -4.555 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.583 -4.380 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.934 -6.046 -4.853 1.00 0.00 H new ATOM 0 HE ARG A 131 58.292 -5.309 -6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.207 -3.818 -5.554 1.00 0.00 H new ATOM 0 HH12 ARG A 131 61.642 -3.040 -7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 131 58.867 -4.333 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 131 60.319 -3.332 -8.935 1.00 0.00 H new ATOM 918 N TRP A 132 58.383 -3.301 -2.090 1.00 0.00 N ATOM 919 CA TRP A 132 58.769 -2.102 -2.718 1.00 0.00 C ATOM 920 C TRP A 132 60.240 -2.026 -3.097 1.00 0.00 C ATOM 921 O TRP A 132 60.956 -3.041 -3.075 1.00 0.00 O ATOM 922 CB TRP A 132 58.267 -0.865 -2.040 1.00 0.00 C ATOM 923 CG TRP A 132 58.635 -0.507 -0.679 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.816 -0.153 0.263 1.00 0.00 C ATOM 925 CD2 TRP A 132 59.963 -0.376 -0.146 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.519 0.195 1.376 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.868 0.049 1.119 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.183 -0.606 -0.636 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.025 0.259 1.923 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.288 -0.423 0.100 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.219 0.010 1.357 1.00 0.00 C ATOM 0 H TRP A 132 59.035 -3.691 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 132 58.244 -2.138 -3.672 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.558 -0.025 -2.671 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.179 -0.919 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.740 -0.137 0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.115 0.512 2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.283 -0.950 -1.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 60.947 0.603 2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.254 -0.631 -0.336 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.125 0.162 1.924 1.00 0.00 H new ATOM 942 N THR A 133 60.691 -0.815 -3.454 1.00 0.00 N ATOM 943 CA THR A 133 62.018 -0.566 -3.778 1.00 0.00 C ATOM 944 C THR A 133 62.381 0.862 -3.162 1.00 0.00 C ATOM 945 O THR A 133 61.679 1.862 -3.357 1.00 0.00 O ATOM 946 CB THR A 133 62.127 -0.665 -5.302 1.00 0.00 C ATOM 947 OG1 THR A 133 63.421 -0.766 -5.752 1.00 0.00 O ATOM 948 CG2 THR A 133 61.362 0.422 -5.977 1.00 0.00 C ATOM 0 H THR A 133 60.093 0.009 -3.513 1.00 0.00 H new ATOM 0 HA THR A 133 62.736 -1.276 -3.367 1.00 0.00 H new ATOM 0 HB THR A 133 61.659 -1.608 -5.584 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.925 -1.368 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.462 0.320 -7.058 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.310 0.351 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.754 1.390 -5.666 1.00 0.00 H new ATOM 956 N GLY A 134 63.401 0.851 -2.331 1.00 0.00 N ATOM 957 CA GLY A 134 63.850 1.962 -1.523 1.00 0.00 C ATOM 958 C GLY A 134 65.273 2.276 -1.805 1.00 0.00 C ATOM 959 O GLY A 134 65.662 2.251 -2.895 1.00 0.00 O ATOM 0 H GLY A 134 63.972 0.017 -2.194 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.233 2.837 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.728 1.722 -0.467 1.00 0.00 H new ATOM 963 N ARG A 135 66.059 2.565 -0.832 1.00 0.00 N ATOM 964 CA ARG A 135 67.489 2.763 -1.068 1.00 0.00 C ATOM 965 C ARG A 135 68.169 2.379 0.156 1.00 0.00 C ATOM 966 O ARG A 135 67.910 2.973 1.209 1.00 0.00 O ATOM 967 CB ARG A 135 67.898 4.222 -1.371 1.00 0.00 C ATOM 968 CG ARG A 135 67.163 4.966 -2.464 1.00 0.00 C ATOM 969 CD ARG A 135 65.919 5.614 -1.916 1.00 0.00 C ATOM 970 NE ARG A 135 66.255 6.505 -0.790 1.00 0.00 N ATOM 971 CZ ARG A 135 66.305 7.839 -0.853 1.00 0.00 C ATOM 972 NH1 ARG A 135 66.039 8.466 -1.994 1.00 0.00 N ATOM 973 NH2 ARG A 135 66.648 8.537 0.224 1.00 0.00 N ATOM 0 H ARG A 135 65.763 2.675 0.138 1.00 0.00 H new ATOM 0 HA ARG A 135 67.754 2.172 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.790 4.795 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.958 4.223 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 135 67.815 5.725 -2.897 1.00 0.00 H new ATOM 0 HG3 ARG A 135 66.898 4.277 -3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 135 65.422 6.183 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 135 65.218 4.848 -1.585 1.00 0.00 H new ATOM 0 HE ARG A 135 66.466 6.069 0.108 1.00 0.00 H new ATOM 0 HH11 ARG A 135 65.795 7.929 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 135 66.078 9.484 -2.038 1.00 0.00 H new ATOM 0 HH21 ARG A 135 66.872 8.055 1.094 1.00 0.00 H new ATOM 0 HH22 ARG A 135 66.688 9.555 0.181 1.00 0.00 H new ATOM 987 N CYS A 136 69.001 1.372 0.078 1.00 0.00 N ATOM 988 CA CYS A 136 69.760 0.997 1.235 1.00 0.00 C ATOM 989 C CYS A 136 70.695 2.149 1.654 1.00 0.00 C ATOM 990 O CYS A 136 70.849 3.101 0.924 1.00 0.00 O ATOM 991 CB CYS A 136 70.562 -0.274 0.988 1.00 0.00 C ATOM 992 SG CYS A 136 72.058 -0.169 -0.069 1.00 0.00 S ATOM 0 H CYS A 136 69.166 0.810 -0.757 1.00 0.00 H new ATOM 0 HA CYS A 136 69.059 0.795 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.867 -0.668 1.957 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.891 -1.009 0.542 1.00 0.00 H new ATOM 997 N MET A 137 71.318 2.039 2.803 1.00 0.00 N ATOM 998 CA MET A 137 72.227 3.097 3.342 1.00 0.00 C ATOM 999 C MET A 137 73.259 3.576 2.361 1.00 0.00 C ATOM 1000 O MET A 137 73.566 4.754 2.295 1.00 0.00 O ATOM 1001 CB MET A 137 72.916 2.632 4.582 1.00 0.00 C ATOM 1002 CG MET A 137 71.976 2.366 5.681 1.00 0.00 C ATOM 1003 SD MET A 137 72.760 1.629 7.111 1.00 0.00 S ATOM 1004 CE MET A 137 73.294 0.089 6.354 1.00 0.00 C ATOM 0 H MET A 137 71.228 1.226 3.412 1.00 0.00 H new ATOM 0 HA MET A 137 71.575 3.942 3.563 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.480 1.725 4.363 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.636 3.386 4.899 1.00 0.00 H new ATOM 0 HG2 MET A 137 71.498 3.300 5.977 1.00 0.00 H new ATOM 0 HG3 MET A 137 71.187 1.703 5.324 1.00 0.00 H new ATOM 0 HE1 MET A 137 73.550 -0.629 7.133 1.00 0.00 H new ATOM 0 HE2 MET A 137 72.488 -0.313 5.740 1.00 0.00 H new ATOM 0 HE3 MET A 137 74.168 0.274 5.730 1.00 0.00 H new ATOM 1014 N SER A 138 73.775 2.689 1.631 1.00 0.00 N ATOM 1015 CA SER A 138 74.761 3.028 0.624 1.00 0.00 C ATOM 1016 C SER A 138 74.125 3.873 -0.511 1.00 0.00 C ATOM 1017 O SER A 138 74.678 4.905 -0.947 1.00 0.00 O ATOM 1018 CB SER A 138 75.367 1.749 0.076 1.00 0.00 C ATOM 1019 OG SER A 138 75.916 0.961 1.140 1.00 0.00 O ATOM 0 H SER A 138 73.549 1.696 1.688 1.00 0.00 H new ATOM 0 HA SER A 138 75.547 3.633 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.606 1.176 -0.454 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.147 1.989 -0.647 1.00 0.00 H new ATOM 0 HG SER A 138 76.302 0.139 0.772 1.00 0.00 H new ATOM 1025 N CYS A 139 72.927 3.513 -0.887 1.00 0.00 N ATOM 1026 CA CYS A 139 72.284 4.088 -1.971 1.00 0.00 C ATOM 1027 C CYS A 139 71.535 5.336 -1.627 1.00 0.00 C ATOM 1028 O CYS A 139 71.632 6.321 -2.335 1.00 0.00 O ATOM 1029 CB CYS A 139 71.443 3.057 -2.575 1.00 0.00 C ATOM 1030 SG CYS A 139 72.395 1.707 -3.248 1.00 0.00 S ATOM 0 H CYS A 139 72.382 2.791 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 139 73.023 4.433 -2.694 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.752 2.672 -1.826 1.00 0.00 H new ATOM 0 HB3 CYS A 139 70.840 3.502 -3.366 1.00 0.00 H new ATOM 1035 N SER A 140 70.861 5.303 -0.521 1.00 0.00 N ATOM 1036 CA SER A 140 70.091 6.395 -0.011 1.00 0.00 C ATOM 1037 C SER A 140 70.983 7.626 0.174 1.00 0.00 C ATOM 1038 O SER A 140 70.530 8.766 0.096 1.00 0.00 O ATOM 1039 CB SER A 140 69.520 5.942 1.311 1.00 0.00 C ATOM 1040 OG SER A 140 70.555 5.501 2.154 1.00 0.00 O ATOM 0 H SER A 140 70.831 4.478 0.078 1.00 0.00 H new ATOM 0 HA SER A 140 69.293 6.674 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 140 68.979 6.762 1.783 1.00 0.00 H new ATOM 0 HB3 SER A 140 68.802 5.137 1.150 1.00 0.00 H new ATOM 0 HG SER A 140 70.902 4.645 1.826 1.00 0.00 H new ATOM 1046 N ARG A 141 72.249 7.366 0.430 1.00 0.00 N ATOM 1047 CA ARG A 141 73.228 8.385 0.538 1.00 0.00 C ATOM 1048 C ARG A 141 73.787 8.736 -0.831 1.00 0.00 C ATOM 1049 O ARG A 141 73.600 9.842 -1.315 1.00 0.00 O ATOM 1050 CB ARG A 141 74.355 7.956 1.476 1.00 0.00 C ATOM 1051 CG ARG A 141 73.902 7.739 2.902 1.00 0.00 C ATOM 1052 CD ARG A 141 75.055 7.472 3.846 1.00 0.00 C ATOM 1053 NE ARG A 141 75.821 6.268 3.525 1.00 0.00 N ATOM 1054 CZ ARG A 141 76.950 5.920 4.164 1.00 0.00 C ATOM 1055 NH1 ARG A 141 77.382 6.653 5.187 1.00 0.00 N ATOM 1056 NH2 ARG A 141 77.635 4.849 3.789 1.00 0.00 N ATOM 0 H ARG A 141 72.614 6.423 0.568 1.00 0.00 H new ATOM 0 HA ARG A 141 72.750 9.271 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 141 74.799 7.034 1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.137 8.715 1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 141 73.354 8.618 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 141 73.209 6.899 2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 141 75.726 8.331 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 141 74.667 7.383 4.861 1.00 0.00 H new ATOM 0 HE ARG A 141 75.481 5.662 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 141 76.856 7.475 5.483 1.00 0.00 H new ATOM 0 HH12 ARG A 141 78.239 6.392 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 141 77.306 4.281 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 141 78.491 4.593 4.281 1.00 0.00 H new ATOM 1070 N SER A 142 74.424 7.788 -1.478 1.00 0.00 N ATOM 1071 CA SER A 142 75.108 8.099 -2.705 1.00 0.00 C ATOM 1072 C SER A 142 74.574 7.335 -3.928 1.00 0.00 C ATOM 1073 O SER A 142 74.108 7.955 -4.906 1.00 0.00 O ATOM 1074 CB SER A 142 76.600 7.818 -2.519 1.00 0.00 C ATOM 1075 OG SER A 142 77.091 8.436 -1.321 1.00 0.00 O ATOM 0 H SER A 142 74.481 6.814 -1.181 1.00 0.00 H new ATOM 0 HA SER A 142 74.928 9.153 -2.916 1.00 0.00 H new ATOM 0 HB2 SER A 142 76.769 6.742 -2.474 1.00 0.00 H new ATOM 0 HB3 SER A 142 77.155 8.192 -3.380 1.00 0.00 H new ATOM 0 HG SER A 142 78.046 8.242 -1.221 1.00 0.00 H new ATOM 1081 N SER A 143 74.587 6.022 -3.842 1.00 0.00 N ATOM 1082 CA SER A 143 74.374 5.138 -4.989 1.00 0.00 C ATOM 1083 C SER A 143 72.963 5.194 -5.650 1.00 0.00 C ATOM 1084 O SER A 143 72.745 4.545 -6.657 1.00 0.00 O ATOM 1085 CB SER A 143 74.766 3.709 -4.602 1.00 0.00 C ATOM 1086 OG SER A 143 76.050 3.700 -3.955 1.00 0.00 O ATOM 0 H SER A 143 74.747 5.523 -2.967 1.00 0.00 H new ATOM 0 HA SER A 143 75.023 5.516 -5.779 1.00 0.00 H new ATOM 0 HB2 SER A 143 74.013 3.286 -3.937 1.00 0.00 H new ATOM 0 HB3 SER A 143 74.795 3.079 -5.491 1.00 0.00 H new ATOM 0 HG SER A 143 76.287 2.781 -3.712 1.00 0.00 H new ATOM 1092 N ARG A 144 72.025 5.982 -5.116 1.00 0.00 N ATOM 1093 CA ARG A 144 70.710 6.096 -5.762 1.00 0.00 C ATOM 1094 C ARG A 144 70.751 7.082 -6.916 1.00 0.00 C ATOM 1095 O ARG A 144 69.791 7.206 -7.689 1.00 0.00 O ATOM 1096 CB ARG A 144 69.556 6.431 -4.754 1.00 0.00 C ATOM 1097 CG ARG A 144 69.596 7.798 -4.003 1.00 0.00 C ATOM 1098 CD ARG A 144 69.302 9.010 -4.893 1.00 0.00 C ATOM 1099 NE ARG A 144 68.002 8.903 -5.574 1.00 0.00 N ATOM 1100 CZ ARG A 144 67.537 9.752 -6.501 1.00 0.00 C ATOM 1101 NH1 ARG A 144 68.222 10.850 -6.811 1.00 0.00 N ATOM 1102 NH2 ARG A 144 66.377 9.501 -7.099 1.00 0.00 N ATOM 0 H ARG A 144 72.142 6.534 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 144 70.477 5.111 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 144 68.614 6.380 -5.300 1.00 0.00 H new ATOM 0 HB3 ARG A 144 69.532 5.641 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 144 68.872 7.774 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 144 70.580 7.923 -3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 144 69.318 9.915 -4.286 1.00 0.00 H new ATOM 0 HD3 ARG A 144 70.092 9.111 -5.637 1.00 0.00 H new ATOM 0 HE ARG A 144 67.404 8.117 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 144 69.106 11.049 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 144 67.863 11.493 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 144 65.846 8.666 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 144 66.018 10.143 -7.805 1.00 0.00 H new ATOM 1116 N THR A 145 71.859 7.769 -7.037 1.00 0.00 N ATOM 1117 CA THR A 145 72.007 8.795 -8.019 1.00 0.00 C ATOM 1118 C THR A 145 72.252 8.191 -9.406 1.00 0.00 C ATOM 1119 O THR A 145 73.387 7.847 -9.765 1.00 0.00 O ATOM 1120 CB THR A 145 73.151 9.753 -7.634 1.00 0.00 C ATOM 1121 OG1 THR A 145 72.986 10.146 -6.251 1.00 0.00 O ATOM 1122 CG2 THR A 145 73.128 11.003 -8.512 1.00 0.00 C ATOM 0 H THR A 145 72.682 7.626 -6.452 1.00 0.00 H new ATOM 0 HA THR A 145 71.079 9.366 -8.057 1.00 0.00 H new ATOM 0 HB THR A 145 74.103 9.242 -7.777 1.00 0.00 H new ATOM 0 HG1 THR A 145 73.346 9.446 -5.667 1.00 0.00 H new ATOM 0 HG21 THR A 145 73.944 11.666 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 145 73.246 10.716 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 145 72.177 11.521 -8.383 1.00 0.00 H new ATOM 1130 N ARG A 146 71.154 7.974 -10.130 1.00 0.00 N ATOM 1131 CA ARG A 146 71.166 7.485 -11.509 1.00 0.00 C ATOM 1132 C ARG A 146 71.611 6.037 -11.655 1.00 0.00 C ATOM 1133 O ARG A 146 71.855 5.583 -12.773 1.00 0.00 O ATOM 1134 CB ARG A 146 71.972 8.402 -12.444 1.00 0.00 C ATOM 1135 CG ARG A 146 71.316 9.740 -12.745 1.00 0.00 C ATOM 1136 CD ARG A 146 69.965 9.540 -13.424 1.00 0.00 C ATOM 1137 NE ARG A 146 70.078 8.671 -14.609 1.00 0.00 N ATOM 1138 CZ ARG A 146 69.130 7.824 -15.032 1.00 0.00 C ATOM 1139 NH1 ARG A 146 67.947 7.780 -14.420 1.00 0.00 N ATOM 1140 NH2 ARG A 146 69.367 7.026 -16.066 1.00 0.00 N ATOM 0 H ARG A 146 70.214 8.136 -9.768 1.00 0.00 H new ATOM 0 HA ARG A 146 70.121 7.512 -11.817 1.00 0.00 H new ATOM 0 HB2 ARG A 146 72.949 8.585 -11.997 1.00 0.00 H new ATOM 0 HB3 ARG A 146 72.144 7.878 -13.384 1.00 0.00 H new ATOM 0 HG2 ARG A 146 71.184 10.302 -11.820 1.00 0.00 H new ATOM 0 HG3 ARG A 146 71.967 10.333 -13.388 1.00 0.00 H new ATOM 0 HD2 ARG A 146 69.262 9.101 -12.716 1.00 0.00 H new ATOM 0 HD3 ARG A 146 69.558 10.507 -13.719 1.00 0.00 H new ATOM 0 HE ARG A 146 70.943 8.718 -15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 146 67.760 8.393 -13.626 1.00 0.00 H new ATOM 0 HH12 ARG A 146 67.228 7.134 -14.745 1.00 0.00 H new ATOM 0 HH21 ARG A 146 70.271 7.058 -16.538 1.00 0.00 H new ATOM 0 HH22 ARG A 146 68.646 6.381 -16.388 1.00 0.00 H new ATOM 1154 N ARG A 147 71.684 5.299 -10.571 1.00 0.00 N ATOM 1155 CA ARG A 147 72.044 3.932 -10.664 1.00 0.00 C ATOM 1156 C ARG A 147 70.864 3.036 -10.787 1.00 0.00 C ATOM 1157 O ARG A 147 69.794 3.294 -10.235 1.00 0.00 O ATOM 1158 CB ARG A 147 72.943 3.489 -9.560 1.00 0.00 C ATOM 1159 CG ARG A 147 74.401 3.760 -9.807 1.00 0.00 C ATOM 1160 CD ARG A 147 74.847 2.938 -10.996 1.00 0.00 C ATOM 1161 NE ARG A 147 76.293 2.997 -11.228 1.00 0.00 N ATOM 1162 CZ ARG A 147 76.879 2.862 -12.429 1.00 0.00 C ATOM 1163 NH1 ARG A 147 76.143 2.847 -13.539 1.00 0.00 N ATOM 1164 NH2 ARG A 147 78.197 2.781 -12.518 1.00 0.00 N ATOM 0 H ARG A 147 71.497 5.634 -9.626 1.00 0.00 H new ATOM 0 HA ARG A 147 72.613 3.849 -11.590 1.00 0.00 H new ATOM 0 HB2 ARG A 147 72.643 3.989 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 147 72.805 2.419 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 147 74.562 4.821 -9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 147 74.989 3.502 -8.926 1.00 0.00 H new ATOM 0 HD2 ARG A 147 74.552 1.900 -10.843 1.00 0.00 H new ATOM 0 HD3 ARG A 147 74.328 3.289 -11.888 1.00 0.00 H new ATOM 0 HE ARG A 147 76.897 3.151 -10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 147 75.129 2.938 -13.480 1.00 0.00 H new ATOM 0 HH12 ARG A 147 76.594 2.744 -14.448 1.00 0.00 H new ATOM 0 HH21 ARG A 147 78.769 2.821 -11.674 1.00 0.00 H new ATOM 0 HH22 ARG A 147 78.641 2.678 -13.430 1.00 0.00 H new ATOM 1178 N GLU A 148 71.071 1.989 -11.513 1.00 0.00 N ATOM 1179 CA GLU A 148 70.051 1.057 -11.808 1.00 0.00 C ATOM 1180 C GLU A 148 70.364 -0.252 -11.119 1.00 0.00 C ATOM 1181 O GLU A 148 69.468 -0.973 -10.676 1.00 0.00 O ATOM 1182 CB GLU A 148 70.075 0.860 -13.305 1.00 0.00 C ATOM 1183 CG GLU A 148 68.705 0.743 -13.941 1.00 0.00 C ATOM 1184 CD GLU A 148 67.825 1.908 -13.573 1.00 0.00 C ATOM 1185 OE1 GLU A 148 68.011 3.001 -14.143 1.00 0.00 O ATOM 1186 OE2 GLU A 148 66.941 1.757 -12.687 1.00 0.00 O ATOM 0 H GLU A 148 71.976 1.758 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 148 69.075 1.405 -11.470 1.00 0.00 H new ATOM 0 HB2 GLU A 148 70.604 1.697 -13.761 1.00 0.00 H new ATOM 0 HB3 GLU A 148 70.646 -0.040 -13.532 1.00 0.00 H new ATOM 0 HG2 GLU A 148 68.809 0.692 -15.025 1.00 0.00 H new ATOM 0 HG3 GLU A 148 68.233 -0.186 -13.622 1.00 0.00 H new ATOM 1193 N THR A 149 71.648 -0.539 -11.031 1.00 0.00 N ATOM 1194 CA THR A 149 72.132 -1.814 -10.512 1.00 0.00 C ATOM 1195 C THR A 149 73.663 -1.754 -10.312 1.00 0.00 C ATOM 1196 O THR A 149 74.365 -2.784 -10.258 1.00 0.00 O ATOM 1197 CB THR A 149 71.738 -2.914 -11.523 1.00 0.00 C ATOM 1198 OG1 THR A 149 72.073 -4.237 -11.071 1.00 0.00 O ATOM 1199 CG2 THR A 149 72.381 -2.635 -12.864 1.00 0.00 C ATOM 0 H THR A 149 72.389 0.101 -11.316 1.00 0.00 H new ATOM 0 HA THR A 149 71.687 -2.035 -9.542 1.00 0.00 H new ATOM 0 HB THR A 149 70.653 -2.886 -11.621 1.00 0.00 H new ATOM 0 HG1 THR A 149 72.954 -4.223 -10.642 1.00 0.00 H new ATOM 0 HG21 THR A 149 72.099 -3.414 -13.572 1.00 0.00 H new ATOM 0 HG22 THR A 149 72.043 -1.668 -13.235 1.00 0.00 H new ATOM 0 HG23 THR A 149 73.465 -2.622 -12.752 1.00 0.00 H new ATOM 1207 N GLN A 150 74.151 -0.532 -10.155 1.00 0.00 N ATOM 1208 CA GLN A 150 75.563 -0.239 -9.875 1.00 0.00 C ATOM 1209 C GLN A 150 76.491 -0.713 -10.983 1.00 0.00 C ATOM 1210 O GLN A 150 77.629 -1.106 -10.727 1.00 0.00 O ATOM 1211 CB GLN A 150 75.974 -0.814 -8.515 1.00 0.00 C ATOM 1212 CG GLN A 150 75.377 -0.095 -7.298 1.00 0.00 C ATOM 1213 CD GLN A 150 73.875 -0.005 -7.333 1.00 0.00 C ATOM 1214 OE1 GLN A 150 73.309 0.956 -7.816 1.00 0.00 O ATOM 1215 NE2 GLN A 150 73.244 -1.030 -6.923 1.00 0.00 N ATOM 0 H GLN A 150 73.571 0.305 -10.219 1.00 0.00 H new ATOM 0 HA GLN A 150 75.664 0.846 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 150 75.681 -1.863 -8.478 1.00 0.00 H new ATOM 0 HB3 GLN A 150 77.061 -0.784 -8.438 1.00 0.00 H new ATOM 0 HG2 GLN A 150 75.681 -0.618 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 150 75.792 0.911 -7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 150 73.755 -1.817 -6.523 1.00 0.00 H new ATOM 0 HE22 GLN A 150 72.227 -1.065 -6.994 1.00 0.00 H new ATOM 1224 N LEU A 151 76.006 -0.640 -12.201 1.00 0.00 N ATOM 1225 CA LEU A 151 76.742 -1.010 -13.389 1.00 0.00 C ATOM 1226 C LEU A 151 75.899 -0.554 -14.560 1.00 0.00 C ATOM 1227 O LEU A 151 76.307 0.363 -15.280 1.00 0.00 O ATOM 1228 CB LEU A 151 76.985 -2.539 -13.431 1.00 0.00 C ATOM 1229 CG LEU A 151 78.040 -3.088 -14.429 1.00 0.00 C ATOM 1230 CD1 LEU A 151 78.263 -4.553 -14.161 1.00 0.00 C ATOM 1231 CD2 LEU A 151 77.627 -2.906 -15.885 1.00 0.00 C ATOM 1232 OXT LEU A 151 74.753 -1.044 -14.689 1.00 0.00 O ATOM 0 H LEU A 151 75.061 -0.312 -12.399 1.00 0.00 H new ATOM 0 HA LEU A 151 77.727 -0.544 -13.412 1.00 0.00 H new ATOM 0 HB2 LEU A 151 77.277 -2.857 -12.430 1.00 0.00 H new ATOM 0 HB3 LEU A 151 76.033 -3.021 -13.654 1.00 0.00 H new ATOM 0 HG LEU A 151 78.956 -2.517 -14.276 1.00 0.00 H new ATOM 0 HD11 LEU A 151 79.003 -4.942 -14.860 1.00 0.00 H new ATOM 0 HD12 LEU A 151 78.622 -4.686 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 151 77.325 -5.093 -14.288 1.00 0.00 H new ATOM 0 HD21 LEU A 151 78.403 -3.308 -16.536 1.00 0.00 H new ATOM 0 HD22 LEU A 151 76.691 -3.434 -16.066 1.00 0.00 H new ATOM 0 HD23 LEU A 151 77.491 -1.845 -16.095 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.568 -0.158 -2.321 1.00 0.00 ZN