USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=26 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 107 GLN : amide:sc= 1.31 K(o=2.5,f=-0.5!) USER MOD Set 1.2: A 149 THR OG1 : rot 88:sc= 1.17 USER MOD Set 2.1: A 81 TYR OH : rot -142:sc= 0.31 USER MOD Set 2.2: A 91 GLN : amide:sc= -0.753 X(o=-0.44,f=-0.35) USER MOD Set 3.1: A 87 THR OG1 : rot -51:sc= -0.262 USER MOD Set 3.2: A 90 GLN :FLIP amide:sc= -1.2 F(o=-2.6!,f=-1.5) USER MOD Set 4.1: A 79 MET CE :methyl 175:sc= -0.991 (180deg=-1.15) USER MOD Set 4.2: A 80 SER OG : rot 103:sc= 1.35 USER MOD Single : A 82 SER OG : rot 26:sc= 1.18 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -82:sc= -0.947 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 1.27 (180deg=0.695) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 ASN :FLIP amide:sc= -3.96 F(o=-7.2!,f=-4) USER MOD Single : A 108 LYS NZ :NH3+ -154:sc= 0.859 (180deg=-2.77!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -148:sc= 0.736 (180deg=0.000837) USER MOD Single : A 116 GLN :FLIP amide:sc= -1.68 F(o=-8.5!,f=-1.7) USER MOD Single : A 118 HIS : no HD1:sc= -3.08! C(o=-3.1!,f=-6.4!) USER MOD Single : A 121 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0435) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.5!) USER MOD Single : A 126 HIS :FLIP no HD1:sc= -0.256 F(o=-2,f=-0.26) USER MOD Single : A 127 ASN :FLIP amide:sc= -4.73! C(o=-6.3!,f=-4.7!) USER MOD Single : A 133 THR OG1 : rot 100:sc= -6.15! USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 54:sc= 1.36 USER MOD Single : A 140 SER OG : rot 80:sc= -0.447 USER MOD Single : A 142 SER OG : rot 105:sc= 1.31 USER MOD Single : A 143 SER OG : rot 180:sc= 0.0316 USER MOD Single : A 145 THR OG1 : rot 180:sc= 0.166 USER MOD Single : A 150 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 77 42.706 5.995 -3.606 1.00 0.00 N ATOM 2 CA GLY A 77 43.258 6.792 -4.703 1.00 0.00 C ATOM 3 C GLY A 77 44.139 5.947 -5.568 1.00 0.00 C ATOM 4 O GLY A 77 43.900 4.746 -5.700 1.00 0.00 O ATOM 0 HA2 GLY A 77 42.448 7.213 -5.299 1.00 0.00 H new ATOM 0 HA3 GLY A 77 43.827 7.630 -4.302 1.00 0.00 H new ATOM 10 N ALA A 78 45.155 6.550 -6.147 1.00 0.00 N ATOM 11 CA ALA A 78 46.123 5.831 -6.954 1.00 0.00 C ATOM 12 C ALA A 78 46.949 4.942 -6.052 1.00 0.00 C ATOM 13 O ALA A 78 47.187 5.287 -4.898 1.00 0.00 O ATOM 14 CB ALA A 78 47.022 6.812 -7.688 1.00 0.00 C ATOM 0 H ALA A 78 45.335 7.551 -6.073 1.00 0.00 H new ATOM 0 HA ALA A 78 45.604 5.221 -7.693 1.00 0.00 H new ATOM 0 HB1 ALA A 78 47.745 6.262 -8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 78 46.416 7.446 -8.336 1.00 0.00 H new ATOM 0 HB3 ALA A 78 47.550 7.433 -6.964 1.00 0.00 H new ATOM 20 N MET A 79 47.370 3.817 -6.539 1.00 0.00 N ATOM 21 CA MET A 79 48.153 2.923 -5.727 1.00 0.00 C ATOM 22 C MET A 79 49.473 2.644 -6.414 1.00 0.00 C ATOM 23 O MET A 79 49.541 2.673 -7.649 1.00 0.00 O ATOM 24 CB MET A 79 47.359 1.640 -5.354 1.00 0.00 C ATOM 25 CG MET A 79 47.036 0.671 -6.493 1.00 0.00 C ATOM 26 SD MET A 79 48.446 -0.348 -7.002 1.00 0.00 S ATOM 27 CE MET A 79 48.789 -1.230 -5.479 1.00 0.00 C ATOM 0 H MET A 79 47.189 3.492 -7.489 1.00 0.00 H new ATOM 0 HA MET A 79 48.377 3.400 -4.773 1.00 0.00 H new ATOM 0 HB2 MET A 79 47.926 1.098 -4.598 1.00 0.00 H new ATOM 0 HB3 MET A 79 46.420 1.944 -4.891 1.00 0.00 H new ATOM 0 HG2 MET A 79 46.220 0.018 -6.183 1.00 0.00 H new ATOM 0 HG3 MET A 79 46.680 1.239 -7.352 1.00 0.00 H new ATOM 0 HE1 MET A 79 49.576 -1.964 -5.653 1.00 0.00 H new ATOM 0 HE2 MET A 79 49.114 -0.524 -4.715 1.00 0.00 H new ATOM 0 HE3 MET A 79 47.886 -1.739 -5.142 1.00 0.00 H new ATOM 37 N SER A 80 50.501 2.369 -5.614 1.00 0.00 N ATOM 38 CA SER A 80 51.885 2.210 -6.060 1.00 0.00 C ATOM 39 C SER A 80 52.443 3.530 -6.617 1.00 0.00 C ATOM 40 O SER A 80 52.162 3.928 -7.756 1.00 0.00 O ATOM 41 CB SER A 80 52.044 1.107 -7.073 1.00 0.00 C ATOM 42 OG SER A 80 51.506 -0.132 -6.612 1.00 0.00 O ATOM 0 H SER A 80 50.391 2.247 -4.607 1.00 0.00 H new ATOM 0 HA SER A 80 52.461 1.927 -5.179 1.00 0.00 H new ATOM 0 HB2 SER A 80 51.548 1.394 -8.000 1.00 0.00 H new ATOM 0 HB3 SER A 80 53.101 0.978 -7.304 1.00 0.00 H new ATOM 0 HG SER A 80 50.640 -0.293 -7.042 1.00 0.00 H new ATOM 48 N TYR A 81 53.208 4.197 -5.804 1.00 0.00 N ATOM 49 CA TYR A 81 53.744 5.512 -6.104 1.00 0.00 C ATOM 50 C TYR A 81 54.928 5.757 -5.204 1.00 0.00 C ATOM 51 O TYR A 81 55.317 4.870 -4.470 1.00 0.00 O ATOM 52 CB TYR A 81 52.662 6.587 -5.863 1.00 0.00 C ATOM 53 CG TYR A 81 51.868 6.354 -4.593 1.00 0.00 C ATOM 54 CD1 TYR A 81 52.386 6.642 -3.332 1.00 0.00 C ATOM 55 CD2 TYR A 81 50.606 5.802 -4.666 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.656 6.386 -2.203 1.00 0.00 C ATOM 57 CE2 TYR A 81 49.881 5.544 -3.543 1.00 0.00 C ATOM 58 CZ TYR A 81 50.408 5.836 -2.312 1.00 0.00 C ATOM 59 OH TYR A 81 49.679 5.584 -1.185 1.00 0.00 O ATOM 0 H TYR A 81 53.489 3.842 -4.890 1.00 0.00 H new ATOM 0 HA TYR A 81 54.053 5.563 -7.148 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.136 7.567 -5.814 1.00 0.00 H new ATOM 0 HB3 TYR A 81 51.980 6.605 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 81 53.373 7.071 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 81 50.185 5.570 -5.633 1.00 0.00 H new ATOM 0 HE1 TYR A 81 52.063 6.617 -1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 81 48.895 5.111 -3.622 1.00 0.00 H new ATOM 0 HH TYR A 81 49.188 4.743 -1.294 1.00 0.00 H new ATOM 69 N SER A 82 55.470 6.930 -5.223 1.00 0.00 N ATOM 70 CA SER A 82 56.568 7.235 -4.362 1.00 0.00 C ATOM 71 C SER A 82 55.984 7.810 -3.059 1.00 0.00 C ATOM 72 O SER A 82 55.044 8.614 -3.110 1.00 0.00 O ATOM 73 CB SER A 82 57.495 8.257 -5.043 1.00 0.00 C ATOM 74 OG SER A 82 58.661 8.541 -4.270 1.00 0.00 O ATOM 0 H SER A 82 55.171 7.696 -5.827 1.00 0.00 H new ATOM 0 HA SER A 82 57.158 6.344 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.795 7.876 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 82 56.945 9.182 -5.217 1.00 0.00 H new ATOM 0 HG SER A 82 58.869 7.773 -3.697 1.00 0.00 H new ATOM 80 N LEU A 83 56.518 7.424 -1.917 1.00 0.00 N ATOM 81 CA LEU A 83 55.947 7.868 -0.656 1.00 0.00 C ATOM 82 C LEU A 83 57.007 7.949 0.434 1.00 0.00 C ATOM 83 O LEU A 83 58.106 7.384 0.300 1.00 0.00 O ATOM 84 CB LEU A 83 54.857 6.871 -0.211 1.00 0.00 C ATOM 85 CG LEU A 83 54.000 7.264 1.019 1.00 0.00 C ATOM 86 CD1 LEU A 83 53.033 8.387 0.727 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.296 6.074 1.597 1.00 0.00 C ATOM 0 H LEU A 83 57.332 6.815 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 83 55.524 8.861 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.185 6.707 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.338 5.917 0.003 1.00 0.00 H new ATOM 0 HG LEU A 83 54.694 7.643 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.461 8.618 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.587 9.271 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.352 8.083 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.704 6.384 2.458 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.640 5.638 0.844 1.00 0.00 H new ATOM 0 HD23 LEU A 83 54.031 5.333 1.910 1.00 0.00 H new ATOM 99 N TYR A 84 56.676 8.693 1.468 1.00 0.00 N ATOM 100 CA TYR A 84 57.410 8.745 2.713 1.00 0.00 C ATOM 101 C TYR A 84 57.225 7.456 3.419 1.00 0.00 C ATOM 102 O TYR A 84 56.093 7.116 3.833 1.00 0.00 O ATOM 103 CB TYR A 84 56.875 9.875 3.574 1.00 0.00 C ATOM 104 CG TYR A 84 57.763 11.073 3.637 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.256 11.666 2.491 1.00 0.00 C ATOM 106 CD2 TYR A 84 58.144 11.577 4.857 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.109 12.753 2.568 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.992 12.656 4.957 1.00 0.00 C ATOM 109 CZ TYR A 84 59.473 13.243 3.812 1.00 0.00 C ATOM 110 OH TYR A 84 60.325 14.320 3.908 1.00 0.00 O ATOM 0 H TYR A 84 55.857 9.301 1.463 1.00 0.00 H new ATOM 0 HA TYR A 84 58.468 8.919 2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.901 10.179 3.190 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.716 9.501 4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 84 57.973 11.277 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.769 11.116 5.759 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.487 13.215 1.668 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.277 13.038 5.926 1.00 0.00 H new ATOM 0 HH TYR A 84 60.475 14.535 4.852 1.00 0.00 H new ATOM 120 N GLY A 85 58.321 6.743 3.574 1.00 0.00 N ATOM 121 CA GLY A 85 58.296 5.460 4.152 1.00 0.00 C ATOM 122 C GLY A 85 57.641 5.381 5.443 1.00 0.00 C ATOM 123 O GLY A 85 56.887 4.458 5.688 1.00 0.00 O ATOM 0 H GLY A 85 59.249 7.059 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.795 4.778 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.322 5.107 4.260 1.00 0.00 H new ATOM 127 N THR A 86 57.928 6.347 6.251 1.00 0.00 N ATOM 128 CA THR A 86 57.412 6.498 7.610 1.00 0.00 C ATOM 129 C THR A 86 55.876 6.160 7.742 1.00 0.00 C ATOM 130 O THR A 86 55.430 5.758 8.811 1.00 0.00 O ATOM 131 CB THR A 86 57.711 7.945 8.133 1.00 0.00 C ATOM 132 OG1 THR A 86 57.278 8.116 9.487 1.00 0.00 O ATOM 133 CG2 THR A 86 57.036 8.964 7.260 1.00 0.00 C ATOM 0 H THR A 86 58.560 7.102 5.986 1.00 0.00 H new ATOM 0 HA THR A 86 57.931 5.766 8.229 1.00 0.00 H new ATOM 0 HB THR A 86 58.791 8.089 8.098 1.00 0.00 H new ATOM 0 HG1 THR A 86 57.481 9.028 9.783 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.252 9.964 7.635 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.406 8.871 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.959 8.797 7.272 1.00 0.00 H new ATOM 141 N THR A 87 55.093 6.310 6.665 1.00 0.00 N ATOM 142 CA THR A 87 53.666 6.003 6.697 1.00 0.00 C ATOM 143 C THR A 87 53.291 4.558 6.195 1.00 0.00 C ATOM 144 O THR A 87 52.178 4.128 6.384 1.00 0.00 O ATOM 145 CB THR A 87 52.850 7.051 5.924 1.00 0.00 C ATOM 146 OG1 THR A 87 53.311 7.143 4.571 1.00 0.00 O ATOM 147 CG2 THR A 87 52.944 8.401 6.573 1.00 0.00 C ATOM 0 H THR A 87 55.429 6.643 5.762 1.00 0.00 H new ATOM 0 HA THR A 87 53.405 6.035 7.755 1.00 0.00 H new ATOM 0 HB THR A 87 51.808 6.730 5.934 1.00 0.00 H new ATOM 0 HG1 THR A 87 54.284 7.260 4.564 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.356 9.121 6.003 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.558 8.343 7.591 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.986 8.721 6.597 1.00 0.00 H new ATOM 155 N LEU A 88 54.227 3.839 5.569 1.00 0.00 N ATOM 156 CA LEU A 88 53.980 2.494 4.909 1.00 0.00 C ATOM 157 C LEU A 88 53.195 1.466 5.702 1.00 0.00 C ATOM 158 O LEU A 88 52.518 0.610 5.105 1.00 0.00 O ATOM 159 CB LEU A 88 55.274 1.893 4.440 1.00 0.00 C ATOM 160 CG LEU A 88 55.578 2.030 2.967 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.712 1.091 2.176 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.312 3.440 2.526 1.00 0.00 C ATOM 0 H LEU A 88 55.195 4.151 5.489 1.00 0.00 H new ATOM 0 HA LEU A 88 53.324 2.742 4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.088 2.351 5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.270 0.832 4.692 1.00 0.00 H new ATOM 0 HG LEU A 88 56.626 1.785 2.797 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.937 1.196 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.907 0.065 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.663 1.330 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.532 3.536 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.265 3.685 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.946 4.124 3.091 1.00 0.00 H new ATOM 174 N GLU A 89 53.269 1.531 6.997 1.00 0.00 N ATOM 175 CA GLU A 89 52.491 0.651 7.868 1.00 0.00 C ATOM 176 C GLU A 89 50.982 0.795 7.571 1.00 0.00 C ATOM 177 O GLU A 89 50.224 -0.180 7.598 1.00 0.00 O ATOM 178 CB GLU A 89 52.791 0.997 9.308 1.00 0.00 C ATOM 179 CG GLU A 89 54.203 0.671 9.763 1.00 0.00 C ATOM 180 CD GLU A 89 54.564 1.451 10.980 1.00 0.00 C ATOM 181 OE1 GLU A 89 55.008 2.601 10.840 1.00 0.00 O ATOM 182 OE2 GLU A 89 54.399 0.939 12.110 1.00 0.00 O ATOM 0 H GLU A 89 53.866 2.190 7.496 1.00 0.00 H new ATOM 0 HA GLU A 89 52.768 -0.387 7.683 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.614 2.063 9.455 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.087 0.466 9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.284 -0.396 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.908 0.893 8.962 1.00 0.00 H new ATOM 189 N GLN A 90 50.600 2.010 7.240 1.00 0.00 N ATOM 190 CA GLN A 90 49.246 2.397 6.862 1.00 0.00 C ATOM 191 C GLN A 90 48.911 1.861 5.470 1.00 0.00 C ATOM 192 O GLN A 90 47.782 1.488 5.183 1.00 0.00 O ATOM 193 CB GLN A 90 49.217 3.954 6.820 1.00 0.00 C ATOM 194 CG GLN A 90 48.725 4.583 5.493 1.00 0.00 C ATOM 195 CD GLN A 90 49.484 5.844 5.089 1.00 0.00 C ATOM 196 OE1 GLN A 90 50.596 5.664 4.372 1.00 0.00 O flip ATOM 197 NE2 GLN A 90 49.099 6.953 5.439 1.00 0.00 N flip ATOM 0 H GLN A 90 51.251 2.795 7.225 1.00 0.00 H new ATOM 0 HA GLN A 90 48.523 1.996 7.572 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.577 4.309 7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.222 4.323 7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.816 3.845 4.696 1.00 0.00 H new ATOM 0 HG3 GLN A 90 47.666 4.822 5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 90 48.243 7.047 5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.634 7.783 5.183 1.00 0.00 H new ATOM 206 N GLN A 91 49.923 1.802 4.636 1.00 0.00 N ATOM 207 CA GLN A 91 49.739 1.593 3.225 1.00 0.00 C ATOM 208 C GLN A 91 49.314 0.185 2.879 1.00 0.00 C ATOM 209 O GLN A 91 48.295 -0.015 2.232 1.00 0.00 O ATOM 210 CB GLN A 91 51.015 1.968 2.471 1.00 0.00 C ATOM 211 CG GLN A 91 50.859 2.031 0.961 1.00 0.00 C ATOM 212 CD GLN A 91 49.806 3.032 0.518 1.00 0.00 C ATOM 213 OE1 GLN A 91 49.171 2.861 -0.518 1.00 0.00 O ATOM 214 NE2 GLN A 91 49.623 4.092 1.272 1.00 0.00 N ATOM 0 H GLN A 91 50.898 1.898 4.921 1.00 0.00 H new ATOM 0 HA GLN A 91 48.921 2.243 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.362 2.938 2.829 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.792 1.243 2.713 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.816 2.296 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 91 50.594 1.042 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 91 50.165 4.209 2.128 1.00 0.00 H new ATOM 0 HE22 GLN A 91 48.939 4.799 1.001 1.00 0.00 H new ATOM 223 N TYR A 92 50.074 -0.777 3.301 1.00 0.00 N ATOM 224 CA TYR A 92 49.796 -2.128 2.899 1.00 0.00 C ATOM 225 C TYR A 92 49.117 -2.961 3.946 1.00 0.00 C ATOM 226 O TYR A 92 48.568 -4.015 3.634 1.00 0.00 O ATOM 227 CB TYR A 92 51.058 -2.800 2.417 1.00 0.00 C ATOM 228 CG TYR A 92 51.517 -2.236 1.114 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.871 -2.558 -0.075 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.534 -1.324 1.076 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.249 -1.979 -1.254 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.909 -0.725 -0.092 1.00 0.00 C ATOM 233 CZ TYR A 92 52.261 -1.057 -1.260 1.00 0.00 C ATOM 234 OH TYR A 92 52.597 -0.443 -2.431 1.00 0.00 O ATOM 0 H TYR A 92 50.881 -0.660 3.914 1.00 0.00 H new ATOM 0 HA TYR A 92 49.079 -2.053 2.082 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.843 -2.679 3.163 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.883 -3.870 2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 92 50.062 -3.273 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 92 53.052 -1.072 1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.753 -2.247 -2.175 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.707 0.003 -0.099 1.00 0.00 H new ATOM 0 HH TYR A 92 53.186 -1.029 -2.950 1.00 0.00 H new ATOM 244 N ASN A 93 49.180 -2.494 5.204 1.00 0.00 N ATOM 245 CA ASN A 93 48.673 -3.263 6.408 1.00 0.00 C ATOM 246 C ASN A 93 49.542 -4.483 6.556 1.00 0.00 C ATOM 247 O ASN A 93 49.206 -5.499 7.145 1.00 0.00 O ATOM 248 CB ASN A 93 47.207 -3.666 6.265 1.00 0.00 C ATOM 249 CG ASN A 93 46.259 -2.476 6.296 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.890 -1.912 5.257 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.876 -2.066 7.480 1.00 0.00 N ATOM 0 H ASN A 93 49.576 -1.584 5.439 1.00 0.00 H new ATOM 0 HA ASN A 93 48.727 -2.628 7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.074 -4.206 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.945 -4.354 7.069 1.00 0.00 H new ATOM 0 HD21 ASN A 93 45.256 -1.260 7.565 1.00 0.00 H new ATOM 0 HD22 ASN A 93 46.198 -2.552 8.317 1.00 0.00 H new ATOM 258 N LYS A 94 50.668 -4.281 6.027 1.00 0.00 N ATOM 259 CA LYS A 94 51.732 -5.155 5.832 1.00 0.00 C ATOM 260 C LYS A 94 52.883 -4.190 5.852 1.00 0.00 C ATOM 261 O LYS A 94 53.198 -3.554 4.850 1.00 0.00 O ATOM 262 CB LYS A 94 51.498 -5.734 4.451 1.00 0.00 C ATOM 263 CG LYS A 94 52.631 -6.380 3.692 1.00 0.00 C ATOM 264 CD LYS A 94 52.938 -7.747 4.187 1.00 0.00 C ATOM 265 CE LYS A 94 53.575 -8.591 3.114 1.00 0.00 C ATOM 266 NZ LYS A 94 53.927 -9.920 3.623 1.00 0.00 N ATOM 0 H LYS A 94 50.897 -3.355 5.666 1.00 0.00 H new ATOM 0 HA LYS A 94 51.874 -5.977 6.533 1.00 0.00 H new ATOM 0 HB2 LYS A 94 50.707 -6.478 4.543 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.109 -4.930 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 94 52.374 -6.429 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 94 53.522 -5.758 3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 94 53.606 -7.683 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.021 -8.225 4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.890 -8.691 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.470 -8.093 2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 54.681 -10.329 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.260 -9.839 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 53.090 -10.537 3.591 1.00 0.00 H new ATOM 280 N PRO A 95 53.376 -3.908 7.033 1.00 0.00 N ATOM 281 CA PRO A 95 54.375 -2.889 7.221 1.00 0.00 C ATOM 282 C PRO A 95 55.713 -3.323 6.723 1.00 0.00 C ATOM 283 O PRO A 95 55.870 -4.431 6.311 1.00 0.00 O ATOM 284 CB PRO A 95 54.401 -2.696 8.729 1.00 0.00 C ATOM 285 CG PRO A 95 54.014 -4.027 9.269 1.00 0.00 C ATOM 286 CD PRO A 95 53.006 -4.570 8.299 1.00 0.00 C ATOM 0 HA PRO A 95 54.145 -1.977 6.670 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.390 -2.397 9.076 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.704 -1.919 9.044 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.879 -4.686 9.348 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.589 -3.937 10.269 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.066 -5.655 8.220 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.986 -4.328 8.598 1.00 0.00 H new ATOM 294 N LEU A 96 56.667 -2.457 6.815 1.00 0.00 N ATOM 295 CA LEU A 96 58.026 -2.713 6.399 1.00 0.00 C ATOM 296 C LEU A 96 58.581 -3.968 7.025 1.00 0.00 C ATOM 297 O LEU A 96 59.166 -4.763 6.344 1.00 0.00 O ATOM 298 CB LEU A 96 58.849 -1.504 6.728 1.00 0.00 C ATOM 299 CG LEU A 96 58.526 -0.299 5.876 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.591 0.611 6.563 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.764 0.392 5.422 1.00 0.00 C ATOM 0 H LEU A 96 56.529 -1.519 7.192 1.00 0.00 H new ATOM 0 HA LEU A 96 58.054 -2.890 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.698 -1.247 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.904 -1.750 6.608 1.00 0.00 H new ATOM 0 HG LEU A 96 58.017 -0.650 4.979 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.380 1.467 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.663 0.083 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 96 58.038 0.957 7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.496 1.254 4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.334 0.725 6.290 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.369 -0.296 4.832 1.00 0.00 H new ATOM 313 N SER A 97 58.303 -4.199 8.286 1.00 0.00 N ATOM 314 CA SER A 97 58.784 -5.402 8.950 1.00 0.00 C ATOM 315 C SER A 97 58.140 -6.688 8.336 1.00 0.00 C ATOM 316 O SER A 97 58.655 -7.790 8.510 1.00 0.00 O ATOM 317 CB SER A 97 58.529 -5.309 10.471 1.00 0.00 C ATOM 318 OG SER A 97 59.137 -6.385 11.199 1.00 0.00 O ATOM 0 H SER A 97 57.750 -3.578 8.876 1.00 0.00 H new ATOM 0 HA SER A 97 59.859 -5.478 8.789 1.00 0.00 H new ATOM 0 HB2 SER A 97 58.915 -4.360 10.843 1.00 0.00 H new ATOM 0 HB3 SER A 97 57.455 -5.311 10.656 1.00 0.00 H new ATOM 0 HG SER A 97 58.949 -6.281 12.155 1.00 0.00 H new ATOM 324 N ASP A 98 57.063 -6.525 7.578 1.00 0.00 N ATOM 325 CA ASP A 98 56.355 -7.665 7.005 1.00 0.00 C ATOM 326 C ASP A 98 56.509 -7.669 5.478 1.00 0.00 C ATOM 327 O ASP A 98 56.589 -8.727 4.845 1.00 0.00 O ATOM 328 CB ASP A 98 54.853 -7.566 7.335 1.00 0.00 C ATOM 329 CG ASP A 98 54.111 -8.898 7.206 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.351 -9.653 6.254 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.283 -9.208 8.084 1.00 0.00 O ATOM 0 H ASP A 98 56.661 -5.617 7.346 1.00 0.00 H new ATOM 0 HA ASP A 98 56.777 -8.578 7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.736 -7.191 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.391 -6.836 6.671 1.00 0.00 H new ATOM 336 N LEU A 99 56.607 -6.486 4.896 1.00 0.00 N ATOM 337 CA LEU A 99 56.574 -6.328 3.477 1.00 0.00 C ATOM 338 C LEU A 99 57.953 -6.672 2.945 1.00 0.00 C ATOM 339 O LEU A 99 58.951 -6.227 3.540 1.00 0.00 O ATOM 340 CB LEU A 99 56.245 -4.848 3.178 1.00 0.00 C ATOM 341 CG LEU A 99 56.009 -4.426 1.721 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.701 -4.945 1.219 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.060 -2.925 1.594 1.00 0.00 C ATOM 0 H LEU A 99 56.712 -5.611 5.410 1.00 0.00 H new ATOM 0 HA LEU A 99 55.828 -6.972 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.353 -4.586 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 99 57.062 -4.242 3.570 1.00 0.00 H new ATOM 0 HG LEU A 99 56.803 -4.857 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.558 -4.632 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.697 -6.034 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 99 53.892 -4.548 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.891 -2.642 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.288 -2.480 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.038 -2.566 1.913 1.00 0.00 H new ATOM 355 N LEU A 100 58.050 -7.499 1.904 1.00 0.00 N ATOM 356 CA LEU A 100 59.347 -7.754 1.334 1.00 0.00 C ATOM 357 C LEU A 100 59.729 -6.488 0.636 1.00 0.00 C ATOM 358 O LEU A 100 59.058 -6.016 -0.258 1.00 0.00 O ATOM 359 CB LEU A 100 59.387 -8.934 0.372 1.00 0.00 C ATOM 360 CG LEU A 100 60.777 -9.659 0.197 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.716 -10.723 -0.857 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.918 -8.713 -0.127 1.00 0.00 C ATOM 0 H LEU A 100 57.269 -7.982 1.460 1.00 0.00 H new ATOM 0 HA LEU A 100 60.044 -8.034 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.658 -9.672 0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 100 59.059 -8.586 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 100 60.982 -10.109 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.692 -11.200 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.972 -11.469 -0.578 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.440 -10.274 -1.811 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.842 -9.281 -0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.704 -8.190 -1.059 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.029 -7.987 0.679 1.00 0.00 H new ATOM 374 N ILE A 101 60.751 -5.942 1.070 1.00 0.00 N ATOM 375 CA ILE A 101 61.139 -4.672 0.670 1.00 0.00 C ATOM 376 C ILE A 101 62.586 -4.721 0.205 1.00 0.00 C ATOM 377 O ILE A 101 63.371 -5.437 0.793 1.00 0.00 O ATOM 378 CB ILE A 101 60.923 -3.812 1.897 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.692 -2.964 1.699 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.144 -2.988 2.253 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.182 -2.285 2.893 1.00 0.00 C ATOM 0 H ILE A 101 61.380 -6.376 1.746 1.00 0.00 H new ATOM 0 HA ILE A 101 60.577 -4.269 -0.172 1.00 0.00 H new ATOM 0 HB ILE A 101 60.763 -4.465 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.912 -2.211 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.900 -3.596 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.934 -2.390 3.140 1.00 0.00 H new ATOM 0 HG22 ILE A 101 62.985 -3.652 2.454 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.393 -2.328 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.297 -1.706 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.921 -3.025 3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.949 -1.618 3.288 1.00 0.00 H new ATOM 393 N ARG A 102 62.944 -4.002 -0.863 1.00 0.00 N ATOM 394 CA ARG A 102 64.308 -4.113 -1.398 1.00 0.00 C ATOM 395 C ARG A 102 64.870 -2.803 -1.863 1.00 0.00 C ATOM 396 O ARG A 102 64.137 -1.885 -2.133 1.00 0.00 O ATOM 397 CB ARG A 102 64.359 -5.072 -2.572 1.00 0.00 C ATOM 398 CG ARG A 102 63.910 -6.458 -2.272 1.00 0.00 C ATOM 399 CD ARG A 102 63.770 -7.266 -3.508 1.00 0.00 C ATOM 400 NE ARG A 102 63.298 -8.581 -3.219 1.00 0.00 N ATOM 401 CZ ARG A 102 63.928 -9.708 -3.588 1.00 0.00 C ATOM 402 NH1 ARG A 102 65.187 -9.657 -4.051 1.00 0.00 N ATOM 403 NH2 ARG A 102 63.322 -10.883 -3.471 1.00 0.00 N ATOM 0 H ARG A 102 62.332 -3.356 -1.362 1.00 0.00 H new ATOM 0 HA ARG A 102 64.909 -4.479 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.741 -4.672 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.382 -5.111 -2.946 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.626 -6.936 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 102 62.955 -6.426 -1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 102 63.079 -6.772 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.732 -7.327 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 102 62.425 -8.671 -2.698 1.00 0.00 H new ATOM 0 HH11 ARG A 102 65.668 -8.760 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 102 65.663 -10.515 -4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 102 62.373 -10.933 -3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 102 63.805 -11.736 -3.753 1.00 0.00 H new ATOM 417 N CYS A 103 66.199 -2.740 -1.933 1.00 0.00 N ATOM 418 CA CYS A 103 66.901 -1.632 -2.495 1.00 0.00 C ATOM 419 C CYS A 103 66.422 -1.415 -3.970 1.00 0.00 C ATOM 420 O CYS A 103 66.048 -2.377 -4.648 1.00 0.00 O ATOM 421 CB CYS A 103 68.374 -1.948 -2.525 1.00 0.00 C ATOM 422 SG CYS A 103 69.403 -0.435 -2.664 1.00 0.00 S ATOM 0 H CYS A 103 66.811 -3.480 -1.589 1.00 0.00 H new ATOM 0 HA CYS A 103 66.712 -0.740 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.647 -2.489 -1.619 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.585 -2.608 -3.366 1.00 0.00 H new ATOM 427 N ILE A 104 66.482 -0.202 -4.468 1.00 0.00 N ATOM 428 CA ILE A 104 65.994 0.094 -5.802 1.00 0.00 C ATOM 429 C ILE A 104 67.067 -0.173 -6.828 1.00 0.00 C ATOM 430 O ILE A 104 66.810 -0.624 -7.936 1.00 0.00 O ATOM 431 CB ILE A 104 65.424 1.558 -5.899 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.539 1.697 -7.099 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.515 2.566 -6.007 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.562 2.784 -6.942 1.00 0.00 C ATOM 0 H ILE A 104 66.865 0.601 -3.970 1.00 0.00 H new ATOM 0 HA ILE A 104 65.160 -0.574 -6.018 1.00 0.00 H new ATOM 0 HB ILE A 104 64.857 1.738 -4.985 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.151 1.885 -7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 104 64.012 0.758 -7.271 1.00 0.00 H new ATOM 0 HG21 ILE A 104 66.083 3.564 -6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 104 67.156 2.504 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 104 67.106 2.368 -6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.942 2.848 -7.836 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.931 2.584 -6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 104 64.088 3.728 -6.797 1.00 0.00 H new ATOM 446 N ASN A 105 68.273 0.043 -6.409 1.00 0.00 N ATOM 447 CA ASN A 105 69.443 -0.148 -7.216 1.00 0.00 C ATOM 448 C ASN A 105 70.088 -1.469 -6.885 1.00 0.00 C ATOM 449 O ASN A 105 70.846 -2.001 -7.686 1.00 0.00 O ATOM 450 CB ASN A 105 70.459 0.983 -6.993 1.00 0.00 C ATOM 451 CG ASN A 105 70.105 1.843 -5.894 1.00 0.00 C ATOM 452 OD1 ASN A 105 70.318 1.315 -4.785 1.00 0.00 O flip ATOM 453 ND2 ASN A 105 69.565 2.937 -6.044 1.00 0.00 N flip ATOM 0 H ASN A 105 68.481 0.368 -5.465 1.00 0.00 H new ATOM 0 HA ASN A 105 69.135 -0.140 -8.261 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.442 0.551 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.539 1.578 -7.903 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.421 3.311 -6.982 1.00 0.00 H new ATOM 0 HD22 ASN A 105 69.261 3.471 -5.230 1.00 0.00 H new ATOM 460 N CYS A 106 69.812 -2.023 -5.701 1.00 0.00 N ATOM 461 CA CYS A 106 70.390 -3.315 -5.428 1.00 0.00 C ATOM 462 C CYS A 106 69.437 -4.449 -5.737 1.00 0.00 C ATOM 463 O CYS A 106 69.850 -5.482 -6.259 1.00 0.00 O ATOM 464 CB CYS A 106 70.914 -3.538 -4.000 1.00 0.00 C ATOM 465 SG CYS A 106 72.342 -2.593 -3.482 1.00 0.00 S ATOM 0 H CYS A 106 69.229 -1.620 -4.967 1.00 0.00 H new ATOM 0 HA CYS A 106 71.251 -3.317 -6.096 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.101 -3.324 -3.307 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.154 -4.596 -3.892 1.00 0.00 H new ATOM 470 N GLN A 107 68.159 -4.245 -5.377 1.00 0.00 N ATOM 471 CA GLN A 107 67.122 -5.260 -5.399 1.00 0.00 C ATOM 472 C GLN A 107 67.344 -6.265 -4.298 1.00 0.00 C ATOM 473 O GLN A 107 66.794 -7.370 -4.274 1.00 0.00 O ATOM 474 CB GLN A 107 66.952 -5.887 -6.726 1.00 0.00 C ATOM 475 CG GLN A 107 66.436 -4.903 -7.710 1.00 0.00 C ATOM 476 CD GLN A 107 67.479 -4.504 -8.729 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.623 -5.141 -9.781 1.00 0.00 O ATOM 478 NE2 GLN A 107 68.186 -3.450 -8.436 1.00 0.00 N ATOM 0 H GLN A 107 67.821 -3.338 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 107 66.172 -4.762 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 107 67.906 -6.286 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.263 -6.728 -6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.573 -5.326 -8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.089 -4.014 -7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 107 68.029 -2.959 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.896 -3.115 -9.087 1.00 0.00 H new ATOM 487 N LYS A 108 68.133 -5.818 -3.373 1.00 0.00 N ATOM 488 CA LYS A 108 68.470 -6.485 -2.175 1.00 0.00 C ATOM 489 C LYS A 108 67.446 -6.140 -1.169 1.00 0.00 C ATOM 490 O LYS A 108 67.193 -4.975 -0.955 1.00 0.00 O ATOM 491 CB LYS A 108 69.750 -5.907 -1.692 1.00 0.00 C ATOM 492 CG LYS A 108 70.139 -6.389 -0.349 1.00 0.00 C ATOM 493 CD LYS A 108 71.076 -5.447 0.320 1.00 0.00 C ATOM 494 CE LYS A 108 70.314 -4.327 0.982 1.00 0.00 C ATOM 495 NZ LYS A 108 71.221 -3.470 1.764 1.00 0.00 N ATOM 0 H LYS A 108 68.588 -4.908 -3.451 1.00 0.00 H new ATOM 0 HA LYS A 108 68.539 -7.562 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.541 -6.150 -2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.665 -4.821 -1.670 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.248 -6.514 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.607 -7.369 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.669 -5.981 1.063 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.774 -5.038 -0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.805 -3.730 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.544 -4.740 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.689 -3.010 2.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 71.982 -4.050 2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.633 -2.744 1.144 1.00 0.00 H new ATOM 509 N PRO A 109 66.863 -7.106 -0.549 1.00 0.00 N ATOM 510 CA PRO A 109 65.893 -6.861 0.462 1.00 0.00 C ATOM 511 C PRO A 109 66.486 -6.128 1.684 1.00 0.00 C ATOM 512 O PRO A 109 67.600 -6.437 2.158 1.00 0.00 O ATOM 513 CB PRO A 109 65.321 -8.218 0.811 1.00 0.00 C ATOM 514 CG PRO A 109 66.021 -9.210 -0.073 1.00 0.00 C ATOM 515 CD PRO A 109 67.105 -8.512 -0.791 1.00 0.00 C ATOM 0 HA PRO A 109 65.112 -6.187 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.486 -8.451 1.863 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.244 -8.241 0.644 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.426 -10.028 0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.318 -9.649 -0.781 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.084 -8.814 -0.420 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.084 -8.739 -1.857 1.00 0.00 H new ATOM 523 N LEU A 110 65.758 -5.150 2.146 1.00 0.00 N ATOM 524 CA LEU A 110 66.180 -4.298 3.220 1.00 0.00 C ATOM 525 C LEU A 110 65.533 -4.745 4.480 1.00 0.00 C ATOM 526 O LEU A 110 64.377 -5.178 4.495 1.00 0.00 O ATOM 527 CB LEU A 110 65.831 -2.838 2.928 1.00 0.00 C ATOM 528 CG LEU A 110 66.085 -2.303 1.531 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.821 -0.811 1.511 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.499 -2.578 1.133 1.00 0.00 C ATOM 0 H LEU A 110 64.835 -4.919 1.778 1.00 0.00 H new ATOM 0 HA LEU A 110 67.263 -4.366 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.773 -2.698 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.389 -2.216 3.629 1.00 0.00 H new ATOM 0 HG LEU A 110 65.418 -2.797 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.002 -0.423 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.785 -0.621 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.485 -0.314 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.676 -2.192 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.176 -2.090 1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.678 -3.653 1.145 1.00 0.00 H new ATOM 542 N SER A 111 66.261 -4.646 5.514 1.00 0.00 N ATOM 543 CA SER A 111 65.842 -5.062 6.794 1.00 0.00 C ATOM 544 C SER A 111 65.425 -3.789 7.558 1.00 0.00 C ATOM 545 O SER A 111 65.436 -2.703 6.947 1.00 0.00 O ATOM 546 CB SER A 111 67.018 -5.806 7.433 1.00 0.00 C ATOM 547 OG SER A 111 67.445 -6.876 6.591 1.00 0.00 O ATOM 0 H SER A 111 67.204 -4.258 5.497 1.00 0.00 H new ATOM 0 HA SER A 111 64.990 -5.742 6.789 1.00 0.00 H new ATOM 0 HB2 SER A 111 67.845 -5.116 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.724 -6.196 8.407 1.00 0.00 H new ATOM 0 HG SER A 111 68.198 -7.342 7.011 1.00 0.00 H new ATOM 553 N PRO A 112 65.021 -3.850 8.870 1.00 0.00 N ATOM 554 CA PRO A 112 64.609 -2.648 9.626 1.00 0.00 C ATOM 555 C PRO A 112 65.660 -1.540 9.588 1.00 0.00 C ATOM 556 O PRO A 112 65.335 -0.384 9.740 1.00 0.00 O ATOM 557 CB PRO A 112 64.424 -3.165 11.051 1.00 0.00 C ATOM 558 CG PRO A 112 64.067 -4.594 10.870 1.00 0.00 C ATOM 559 CD PRO A 112 64.894 -5.066 9.718 1.00 0.00 C ATOM 0 HA PRO A 112 63.711 -2.196 9.205 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.335 -3.052 11.638 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.638 -2.620 11.575 1.00 0.00 H new ATOM 0 HG2 PRO A 112 64.282 -5.170 11.770 1.00 0.00 H new ATOM 0 HG3 PRO A 112 63.003 -4.710 10.664 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.867 -5.433 10.044 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.409 -5.882 9.182 1.00 0.00 H new ATOM 567 N GLU A 113 66.892 -1.918 9.308 1.00 0.00 N ATOM 568 CA GLU A 113 67.997 -1.003 9.217 1.00 0.00 C ATOM 569 C GLU A 113 67.821 0.006 8.080 1.00 0.00 C ATOM 570 O GLU A 113 67.851 1.214 8.320 1.00 0.00 O ATOM 571 CB GLU A 113 69.326 -1.765 9.131 1.00 0.00 C ATOM 572 CG GLU A 113 69.315 -2.958 8.181 1.00 0.00 C ATOM 573 CD GLU A 113 70.642 -3.640 8.109 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.597 -3.061 7.568 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.767 -4.783 8.614 1.00 0.00 O ATOM 0 H GLU A 113 67.151 -2.889 9.135 1.00 0.00 H new ATOM 0 HA GLU A 113 68.019 -0.413 10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.106 -1.073 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.594 -2.114 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.559 -3.672 8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.027 -2.623 7.185 1.00 0.00 H new ATOM 582 N GLU A 114 67.597 -0.454 6.859 1.00 0.00 N ATOM 583 CA GLU A 114 67.423 0.478 5.772 1.00 0.00 C ATOM 584 C GLU A 114 66.009 1.034 5.766 1.00 0.00 C ATOM 585 O GLU A 114 65.770 2.173 5.387 1.00 0.00 O ATOM 586 CB GLU A 114 67.691 -0.191 4.500 1.00 0.00 C ATOM 587 CG GLU A 114 69.038 -0.858 4.455 1.00 0.00 C ATOM 588 CD GLU A 114 68.959 -2.349 4.608 1.00 0.00 C ATOM 589 OE1 GLU A 114 68.184 -2.834 5.430 1.00 0.00 O ATOM 590 OE2 GLU A 114 69.689 -3.060 3.900 1.00 0.00 O ATOM 0 H GLU A 114 67.534 -1.440 6.606 1.00 0.00 H new ATOM 0 HA GLU A 114 68.123 1.302 5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 114 66.917 -0.937 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.626 0.538 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.524 -0.621 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.666 -0.450 5.247 1.00 0.00 H new ATOM 597 N LYS A 115 65.082 0.214 6.209 1.00 0.00 N ATOM 598 CA LYS A 115 63.672 0.587 6.354 1.00 0.00 C ATOM 599 C LYS A 115 63.515 1.765 7.265 1.00 0.00 C ATOM 600 O LYS A 115 62.758 2.675 6.982 1.00 0.00 O ATOM 601 CB LYS A 115 62.923 -0.592 6.919 1.00 0.00 C ATOM 602 CG LYS A 115 62.639 -1.662 5.891 1.00 0.00 C ATOM 603 CD LYS A 115 62.140 -2.981 6.481 1.00 0.00 C ATOM 604 CE LYS A 115 61.737 -3.910 5.368 1.00 0.00 C ATOM 605 NZ LYS A 115 61.777 -5.342 5.735 1.00 0.00 N ATOM 0 H LYS A 115 65.279 -0.748 6.486 1.00 0.00 H new ATOM 0 HA LYS A 115 63.274 0.863 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.501 -1.025 7.735 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.981 -0.246 7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.895 -1.287 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.548 -1.853 5.321 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.922 -3.440 7.086 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.292 -2.798 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.727 -3.657 5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.395 -3.746 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 62.027 -5.908 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.489 -5.490 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.843 -5.637 6.086 1.00 0.00 H new ATOM 619 N GLN A 116 64.265 1.773 8.339 1.00 0.00 N ATOM 620 CA GLN A 116 64.205 2.845 9.311 1.00 0.00 C ATOM 621 C GLN A 116 64.773 4.091 8.789 1.00 0.00 C ATOM 622 O GLN A 116 64.597 5.128 9.360 1.00 0.00 O ATOM 623 CB GLN A 116 64.835 2.450 10.623 1.00 0.00 C ATOM 624 CG GLN A 116 63.835 2.281 11.778 1.00 0.00 C ATOM 625 CD GLN A 116 62.749 1.189 11.578 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.401 0.873 10.348 1.00 0.00 O flip ATOM 627 NE2 GLN A 116 62.262 0.609 12.544 1.00 0.00 N flip ATOM 0 H GLN A 116 64.935 1.039 8.567 1.00 0.00 H new ATOM 0 HA GLN A 116 63.150 3.034 9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.376 1.514 10.486 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.570 3.205 10.902 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.393 2.050 12.685 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.337 3.236 11.945 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.544 0.868 13.490 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.575 -0.132 12.401 1.00 0.00 H new ATOM 636 N ARG A 117 65.413 4.004 7.683 1.00 0.00 N ATOM 637 CA ARG A 117 65.916 5.201 7.080 1.00 0.00 C ATOM 638 C ARG A 117 64.722 5.923 6.495 1.00 0.00 C ATOM 639 O ARG A 117 64.496 7.107 6.739 1.00 0.00 O ATOM 640 CB ARG A 117 66.899 4.931 5.965 1.00 0.00 C ATOM 641 CG ARG A 117 67.700 6.143 5.647 1.00 0.00 C ATOM 642 CD ARG A 117 68.583 5.931 4.470 1.00 0.00 C ATOM 643 NE ARG A 117 69.360 7.132 4.172 1.00 0.00 N ATOM 644 CZ ARG A 117 70.494 7.480 4.786 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.003 6.713 5.745 1.00 0.00 N ATOM 646 NH2 ARG A 117 71.111 8.584 4.431 1.00 0.00 N ATOM 0 H ARG A 117 65.604 3.139 7.177 1.00 0.00 H new ATOM 0 HA ARG A 117 66.444 5.780 7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.565 4.117 6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.362 4.603 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 117 67.030 6.980 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 117 68.306 6.415 6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 117 69.257 5.097 4.663 1.00 0.00 H new ATOM 0 HD3 ARG A 117 67.980 5.660 3.603 1.00 0.00 H new ATOM 0 HE ARG A 117 69.010 7.751 3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.527 5.853 6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 117 71.869 6.985 6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 117 70.724 9.169 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 117 71.977 8.856 4.896 1.00 0.00 H new ATOM 660 N HIS A 118 63.927 5.159 5.778 1.00 0.00 N ATOM 661 CA HIS A 118 62.732 5.643 5.122 1.00 0.00 C ATOM 662 C HIS A 118 61.664 6.006 6.149 1.00 0.00 C ATOM 663 O HIS A 118 60.750 6.772 5.874 1.00 0.00 O ATOM 664 CB HIS A 118 62.209 4.591 4.140 1.00 0.00 C ATOM 665 CG HIS A 118 63.243 4.198 3.071 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.916 5.101 2.276 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.781 3.001 2.768 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.836 4.434 1.577 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.790 3.157 1.831 1.00 0.00 N ATOM 0 H HIS A 118 64.097 4.164 5.632 1.00 0.00 H new ATOM 0 HA HIS A 118 62.980 6.545 4.563 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.912 3.701 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.315 4.974 3.649 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.471 2.058 3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.530 4.894 0.889 1.00 0.00 H new ATOM 0 HE2 HIS A 118 65.374 2.426 1.425 1.00 0.00 H new ATOM 677 N LEU A 119 61.803 5.459 7.340 1.00 0.00 N ATOM 678 CA LEU A 119 60.861 5.715 8.406 1.00 0.00 C ATOM 679 C LEU A 119 61.323 6.832 9.319 1.00 0.00 C ATOM 680 O LEU A 119 60.686 7.855 9.389 1.00 0.00 O ATOM 681 CB LEU A 119 60.582 4.464 9.223 1.00 0.00 C ATOM 682 CG LEU A 119 60.224 3.208 8.443 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.685 2.135 9.353 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.255 3.511 7.355 1.00 0.00 C ATOM 0 H LEU A 119 62.565 4.830 7.593 1.00 0.00 H new ATOM 0 HA LEU A 119 59.935 6.030 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.462 4.249 9.829 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.766 4.682 9.912 1.00 0.00 H new ATOM 0 HG LEU A 119 61.140 2.833 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.438 1.250 8.766 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.438 1.878 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.788 2.500 9.854 1.00 0.00 H new ATOM 0 HD21 LEU A 119 59.017 2.595 6.814 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.343 3.926 7.785 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.694 4.234 6.668 1.00 0.00 H new ATOM 696 N ASP A 120 62.430 6.621 10.015 1.00 0.00 N ATOM 697 CA ASP A 120 62.987 7.623 10.979 1.00 0.00 C ATOM 698 C ASP A 120 63.312 8.937 10.308 1.00 0.00 C ATOM 699 O ASP A 120 62.800 9.991 10.687 1.00 0.00 O ATOM 700 CB ASP A 120 64.266 7.114 11.604 1.00 0.00 C ATOM 701 CG ASP A 120 64.859 8.088 12.601 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.424 8.114 13.767 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.790 8.842 12.240 1.00 0.00 O ATOM 0 H ASP A 120 62.981 5.765 9.946 1.00 0.00 H new ATOM 0 HA ASP A 120 62.215 7.775 11.734 1.00 0.00 H new ATOM 0 HB2 ASP A 120 64.069 6.165 12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.995 6.916 10.819 1.00 0.00 H new ATOM 708 N LYS A 121 64.161 8.864 9.294 1.00 0.00 N ATOM 709 CA LYS A 121 64.608 10.054 8.575 1.00 0.00 C ATOM 710 C LYS A 121 63.537 10.459 7.591 1.00 0.00 C ATOM 711 O LYS A 121 63.586 11.539 6.976 1.00 0.00 O ATOM 712 CB LYS A 121 65.908 9.772 7.844 1.00 0.00 C ATOM 713 CG LYS A 121 66.948 9.097 8.710 1.00 0.00 C ATOM 714 CD LYS A 121 68.283 8.977 7.997 1.00 0.00 C ATOM 715 CE LYS A 121 69.193 7.978 8.692 1.00 0.00 C ATOM 716 NZ LYS A 121 69.443 8.307 10.118 1.00 0.00 N ATOM 0 H LYS A 121 64.557 7.991 8.947 1.00 0.00 H new ATOM 0 HA LYS A 121 64.784 10.863 9.284 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.701 9.142 6.979 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.314 10.710 7.465 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.078 9.665 9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.597 8.105 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.120 8.667 6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.769 9.952 7.963 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.748 6.985 8.628 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.145 7.935 8.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.148 7.649 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 69.800 9.281 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.556 8.221 10.655 1.00 0.00 H new ATOM 730 N LYS A 122 62.573 9.548 7.451 1.00 0.00 N ATOM 731 CA LYS A 122 61.391 9.718 6.654 1.00 0.00 C ATOM 732 C LYS A 122 61.747 9.867 5.183 1.00 0.00 C ATOM 733 O LYS A 122 61.127 10.617 4.456 1.00 0.00 O ATOM 734 CB LYS A 122 60.587 10.902 7.193 1.00 0.00 C ATOM 735 CG LYS A 122 60.245 10.760 8.661 1.00 0.00 C ATOM 736 CD LYS A 122 59.695 12.027 9.267 1.00 0.00 C ATOM 737 CE LYS A 122 58.350 12.429 8.689 1.00 0.00 C ATOM 738 NZ LYS A 122 57.841 13.683 9.289 1.00 0.00 N ATOM 0 H LYS A 122 62.611 8.640 7.915 1.00 0.00 H new ATOM 0 HA LYS A 122 60.764 8.829 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.156 11.820 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.666 11.002 6.618 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.515 9.960 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.139 10.461 9.209 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.596 11.894 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 122 60.408 12.837 9.110 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.442 12.555 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 122 57.630 11.628 8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 56.921 13.922 8.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 57.728 13.556 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 58.515 14.454 9.107 1.00 0.00 H new ATOM 752 N GLN A 123 62.752 9.115 4.749 1.00 0.00 N ATOM 753 CA GLN A 123 63.172 9.142 3.351 1.00 0.00 C ATOM 754 C GLN A 123 62.041 8.613 2.454 1.00 0.00 C ATOM 755 O GLN A 123 61.089 7.950 2.914 1.00 0.00 O ATOM 756 CB GLN A 123 64.397 8.252 3.092 1.00 0.00 C ATOM 757 CG GLN A 123 65.515 8.283 4.103 1.00 0.00 C ATOM 758 CD GLN A 123 66.232 9.586 4.296 1.00 0.00 C ATOM 759 OE1 GLN A 123 65.685 10.655 4.128 1.00 0.00 O ATOM 760 NE2 GLN A 123 67.474 9.480 4.689 1.00 0.00 N ATOM 0 H GLN A 123 63.290 8.482 5.341 1.00 0.00 H new ATOM 0 HA GLN A 123 63.421 10.179 3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 123 64.051 7.222 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.813 8.529 2.124 1.00 0.00 H new ATOM 0 HG2 GLN A 123 65.107 7.977 5.066 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.251 7.532 3.815 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.892 8.558 4.817 1.00 0.00 H new ATOM 0 HE22 GLN A 123 68.026 10.319 4.868 1.00 0.00 H new ATOM 769 N ARG A 124 62.191 8.846 1.192 1.00 0.00 N ATOM 770 CA ARG A 124 61.219 8.440 0.229 1.00 0.00 C ATOM 771 C ARG A 124 61.745 7.281 -0.595 1.00 0.00 C ATOM 772 O ARG A 124 62.954 7.075 -0.692 1.00 0.00 O ATOM 773 CB ARG A 124 60.770 9.613 -0.690 1.00 0.00 C ATOM 774 CG ARG A 124 61.834 10.211 -1.644 1.00 0.00 C ATOM 775 CD ARG A 124 62.962 10.961 -0.920 1.00 0.00 C ATOM 776 NE ARG A 124 62.443 12.024 -0.044 1.00 0.00 N ATOM 777 CZ ARG A 124 63.068 12.530 1.033 1.00 0.00 C ATOM 778 NH1 ARG A 124 64.300 12.148 1.338 1.00 0.00 N ATOM 779 NH2 ARG A 124 62.482 13.468 1.762 1.00 0.00 N ATOM 0 H ARG A 124 62.998 9.328 0.796 1.00 0.00 H new ATOM 0 HA ARG A 124 60.336 8.113 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 124 59.931 9.267 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.396 10.416 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 124 62.268 9.407 -2.239 1.00 0.00 H new ATOM 0 HG3 ARG A 124 61.344 10.893 -2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 124 63.545 10.255 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 124 63.639 11.395 -1.656 1.00 0.00 H new ATOM 0 HE ARG A 124 61.528 12.411 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 124 64.782 11.465 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 124 64.767 12.537 2.157 1.00 0.00 H new ATOM 0 HH21 ARG A 124 61.555 13.808 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 124 62.958 13.851 2.579 1.00 0.00 H new ATOM 793 N PHE A 125 60.832 6.526 -1.117 1.00 0.00 N ATOM 794 CA PHE A 125 61.085 5.391 -1.993 1.00 0.00 C ATOM 795 C PHE A 125 59.864 5.221 -2.885 1.00 0.00 C ATOM 796 O PHE A 125 59.032 6.139 -2.967 1.00 0.00 O ATOM 797 CB PHE A 125 61.334 4.092 -1.162 1.00 0.00 C ATOM 798 CG PHE A 125 60.349 3.841 -0.042 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.066 4.317 -0.107 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.720 3.165 1.092 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.200 4.117 0.879 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.817 2.975 2.100 1.00 0.00 C ATOM 803 CZ PHE A 125 58.575 3.441 1.974 1.00 0.00 C ATOM 0 H PHE A 125 59.838 6.678 -0.946 1.00 0.00 H new ATOM 0 HA PHE A 125 61.978 5.570 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.314 3.238 -1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.337 4.139 -0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.752 4.868 -0.981 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.726 2.783 1.188 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.193 4.499 0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 125 60.109 2.448 2.997 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.860 3.272 2.766 1.00 0.00 H new ATOM 813 N HIS A 126 59.726 4.083 -3.500 1.00 0.00 N ATOM 814 CA HIS A 126 58.568 3.785 -4.283 1.00 0.00 C ATOM 815 C HIS A 126 57.792 2.655 -3.565 1.00 0.00 C ATOM 816 O HIS A 126 58.390 1.874 -2.882 1.00 0.00 O ATOM 817 CB HIS A 126 59.001 3.365 -5.696 1.00 0.00 C ATOM 818 CG HIS A 126 57.871 3.359 -6.659 1.00 0.00 C ATOM 819 ND1 HIS A 126 56.737 2.663 -6.623 1.00 0.00 N flip ATOM 820 CD2 HIS A 126 57.806 4.129 -7.783 1.00 0.00 C flip ATOM 821 CE1 HIS A 126 55.956 2.977 -7.716 1.00 0.00 C flip ATOM 822 NE2 HIS A 126 56.650 3.874 -8.380 1.00 0.00 N flip ATOM 0 H HIS A 126 60.418 3.334 -3.471 1.00 0.00 H new ATOM 0 HA HIS A 126 57.921 4.656 -4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 126 59.774 4.045 -6.053 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.445 2.370 -5.656 1.00 0.00 H new ATOM 0 HD2 HIS A 126 58.561 4.822 -8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 126 54.987 2.574 -7.970 1.00 0.00 H new ATOM 0 HE2 HIS A 126 56.339 4.317 -9.244 1.00 0.00 H new ATOM 830 N ASN A 127 56.465 2.651 -3.679 1.00 0.00 N ATOM 831 CA ASN A 127 55.545 1.621 -3.104 1.00 0.00 C ATOM 832 C ASN A 127 55.060 0.718 -4.201 1.00 0.00 C ATOM 833 O ASN A 127 54.513 1.194 -5.166 1.00 0.00 O ATOM 834 CB ASN A 127 54.313 2.296 -2.474 1.00 0.00 C ATOM 835 CG ASN A 127 54.605 2.984 -1.180 1.00 0.00 C ATOM 836 OD1 ASN A 127 55.829 3.333 -0.982 1.00 0.00 O flip ATOM 837 ND2 ASN A 127 53.732 3.163 -0.347 1.00 0.00 N flip ATOM 0 H ASN A 127 55.966 3.381 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 127 56.090 1.057 -2.347 1.00 0.00 H new ATOM 0 HB2 ASN A 127 53.907 3.022 -3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.541 1.544 -2.310 1.00 0.00 H new ATOM 0 HD21 ASN A 127 52.774 2.872 -0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 127 53.960 3.603 0.544 1.00 0.00 H new ATOM 844 N ILE A 128 55.280 -0.573 -4.075 1.00 0.00 N ATOM 845 CA ILE A 128 54.915 -1.504 -5.115 1.00 0.00 C ATOM 846 C ILE A 128 53.912 -2.528 -4.562 1.00 0.00 C ATOM 847 O ILE A 128 53.786 -2.682 -3.355 1.00 0.00 O ATOM 848 CB ILE A 128 56.210 -2.214 -5.731 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.154 -1.165 -6.334 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.845 -3.233 -6.816 1.00 0.00 C ATOM 851 CD1 ILE A 128 57.925 -0.314 -5.385 1.00 0.00 C ATOM 0 H ILE A 128 55.713 -1.001 -3.257 1.00 0.00 H new ATOM 0 HA ILE A 128 54.436 -0.960 -5.929 1.00 0.00 H new ATOM 0 HB ILE A 128 56.703 -2.741 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.865 -1.682 -6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.564 -0.508 -6.973 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.754 -3.690 -7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.205 -4.005 -6.389 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.316 -2.729 -7.625 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.550 0.381 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.234 0.246 -4.755 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.556 -0.946 -4.760 1.00 0.00 H new ATOM 863 N ARG A 129 53.191 -3.169 -5.435 1.00 0.00 N ATOM 864 CA ARG A 129 52.203 -4.174 -5.098 1.00 0.00 C ATOM 865 C ARG A 129 52.838 -5.350 -4.329 1.00 0.00 C ATOM 866 O ARG A 129 53.419 -6.248 -4.932 1.00 0.00 O ATOM 867 CB ARG A 129 51.605 -4.694 -6.402 1.00 0.00 C ATOM 868 CG ARG A 129 50.420 -5.614 -6.262 1.00 0.00 C ATOM 869 CD ARG A 129 49.220 -4.851 -5.773 1.00 0.00 C ATOM 870 NE ARG A 129 48.005 -5.667 -5.767 1.00 0.00 N ATOM 871 CZ ARG A 129 46.815 -5.292 -6.282 1.00 0.00 C ATOM 872 NH1 ARG A 129 46.693 -4.129 -6.927 1.00 0.00 N ATOM 873 NH2 ARG A 129 45.764 -6.100 -6.175 1.00 0.00 N ATOM 0 H ARG A 129 53.271 -3.007 -6.439 1.00 0.00 H new ATOM 0 HA ARG A 129 51.441 -3.729 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.307 -3.839 -7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 129 52.385 -5.219 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 129 50.197 -6.079 -7.222 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.656 -6.418 -5.566 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.413 -4.483 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.065 -3.978 -6.407 1.00 0.00 H new ATOM 0 HE ARG A 129 48.062 -6.592 -5.340 1.00 0.00 H new ATOM 0 HH11 ARG A 129 47.502 -3.517 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 129 45.790 -3.852 -7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 129 45.859 -7.000 -5.705 1.00 0.00 H new ATOM 0 HH22 ARG A 129 44.863 -5.819 -6.563 1.00 0.00 H new ATOM 887 N GLY A 130 52.802 -5.281 -3.017 1.00 0.00 N ATOM 888 CA GLY A 130 53.244 -6.392 -2.197 1.00 0.00 C ATOM 889 C GLY A 130 54.702 -6.330 -1.799 1.00 0.00 C ATOM 890 O GLY A 130 55.153 -7.124 -0.974 1.00 0.00 O ATOM 0 H GLY A 130 52.472 -4.470 -2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.634 -6.427 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.066 -7.321 -2.738 1.00 0.00 H new ATOM 894 N ARG A 131 55.441 -5.445 -2.401 1.00 0.00 N ATOM 895 CA ARG A 131 56.840 -5.250 -2.078 1.00 0.00 C ATOM 896 C ARG A 131 57.187 -3.844 -2.409 1.00 0.00 C ATOM 897 O ARG A 131 56.355 -3.141 -2.905 1.00 0.00 O ATOM 898 CB ARG A 131 57.696 -6.150 -2.946 1.00 0.00 C ATOM 899 CG ARG A 131 57.604 -5.809 -4.415 1.00 0.00 C ATOM 900 CD ARG A 131 58.970 -5.621 -4.990 1.00 0.00 C ATOM 901 NE ARG A 131 58.935 -5.408 -6.429 1.00 0.00 N ATOM 902 CZ ARG A 131 59.913 -4.851 -7.143 1.00 0.00 C ATOM 903 NH1 ARG A 131 61.004 -4.388 -6.540 1.00 0.00 N ATOM 904 NH2 ARG A 131 59.799 -4.758 -8.459 1.00 0.00 N ATOM 0 H ARG A 131 55.095 -4.829 -3.137 1.00 0.00 H new ATOM 0 HA ARG A 131 57.013 -5.475 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.735 -6.075 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.391 -7.186 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.084 -6.605 -4.948 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.018 -4.900 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.451 -4.769 -4.510 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.580 -6.497 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 131 58.098 -5.708 -6.929 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.095 -4.458 -5.527 1.00 0.00 H new ATOM 0 HH12 ARG A 131 61.750 -3.963 -7.091 1.00 0.00 H new ATOM 0 HH21 ARG A 131 58.964 -5.112 -8.925 1.00 0.00 H new ATOM 0 HH22 ARG A 131 60.547 -4.332 -9.007 1.00 0.00 H new ATOM 918 N TRP A 132 58.388 -3.403 -2.137 1.00 0.00 N ATOM 919 CA TRP A 132 58.799 -2.223 -2.795 1.00 0.00 C ATOM 920 C TRP A 132 60.261 -2.182 -3.193 1.00 0.00 C ATOM 921 O TRP A 132 60.965 -3.199 -3.136 1.00 0.00 O ATOM 922 CB TRP A 132 58.316 -0.947 -2.142 1.00 0.00 C ATOM 923 CG TRP A 132 58.705 -0.559 -0.804 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.901 -0.153 0.128 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.033 -0.442 -0.285 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.612 0.204 1.221 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.951 0.018 0.968 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.237 -0.717 -0.775 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.111 0.225 1.762 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.347 -0.536 -0.055 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.297 -0.070 1.194 1.00 0.00 C ATOM 0 H TRP A 132 59.058 -3.827 -1.496 1.00 0.00 H new ATOM 0 HA TRP A 132 58.269 -2.275 -3.746 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.610 -0.130 -2.801 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.227 -0.987 -2.150 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.825 -0.107 0.044 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.218 0.555 2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.320 -1.097 -1.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.045 0.601 2.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.306 -0.772 -0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.211 0.071 1.752 1.00 0.00 H new ATOM 942 N THR A 133 60.712 -0.991 -3.596 1.00 0.00 N ATOM 943 CA THR A 133 62.036 -0.739 -3.951 1.00 0.00 C ATOM 944 C THR A 133 62.397 0.675 -3.339 1.00 0.00 C ATOM 945 O THR A 133 61.678 1.678 -3.514 1.00 0.00 O ATOM 946 CB THR A 133 62.115 -0.819 -5.483 1.00 0.00 C ATOM 947 OG1 THR A 133 63.406 -0.850 -5.966 1.00 0.00 O ATOM 948 CG2 THR A 133 61.282 0.249 -6.127 1.00 0.00 C ATOM 0 H THR A 133 60.111 -0.171 -3.673 1.00 0.00 H new ATOM 0 HA THR A 133 62.762 -1.455 -3.566 1.00 0.00 H new ATOM 0 HB THR A 133 61.688 -1.781 -5.765 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.652 -1.774 -6.182 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.359 0.166 -7.211 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.241 0.129 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.640 1.229 -5.812 1.00 0.00 H new ATOM 956 N GLY A 134 63.422 0.653 -2.530 1.00 0.00 N ATOM 957 CA GLY A 134 63.908 1.752 -1.737 1.00 0.00 C ATOM 958 C GLY A 134 65.327 2.007 -2.039 1.00 0.00 C ATOM 959 O GLY A 134 65.705 1.911 -3.131 1.00 0.00 O ATOM 0 H GLY A 134 63.978 -0.192 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.319 2.646 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.789 1.526 -0.677 1.00 0.00 H new ATOM 963 N ARG A 135 66.117 2.279 -1.072 1.00 0.00 N ATOM 964 CA ARG A 135 67.551 2.492 -1.256 1.00 0.00 C ATOM 965 C ARG A 135 68.199 2.138 -0.015 1.00 0.00 C ATOM 966 O ARG A 135 67.975 2.789 1.007 1.00 0.00 O ATOM 967 CB ARG A 135 67.861 3.947 -1.692 1.00 0.00 C ATOM 968 CG ARG A 135 67.540 4.166 -3.155 1.00 0.00 C ATOM 969 CD ARG A 135 67.491 5.591 -3.591 1.00 0.00 C ATOM 970 NE ARG A 135 68.803 6.262 -3.533 1.00 0.00 N ATOM 971 CZ ARG A 135 69.094 7.417 -4.145 1.00 0.00 C ATOM 972 NH1 ARG A 135 68.164 8.069 -4.840 1.00 0.00 N ATOM 973 NH2 ARG A 135 70.311 7.926 -4.052 1.00 0.00 N ATOM 0 H ARG A 135 65.808 2.368 -0.104 1.00 0.00 H new ATOM 0 HA ARG A 135 67.932 1.865 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.283 4.642 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 135 68.914 4.166 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.286 3.645 -3.755 1.00 0.00 H new ATOM 0 HG3 ARG A 135 66.577 3.704 -3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 135 67.110 5.639 -4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.785 6.133 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 135 69.541 5.815 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 135 67.220 7.689 -4.910 1.00 0.00 H new ATOM 0 HH12 ARG A 135 68.396 8.948 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 135 71.028 7.439 -3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 135 70.533 8.806 -4.518 1.00 0.00 H new ATOM 987 N CYS A 136 68.948 1.034 -0.048 1.00 0.00 N ATOM 988 CA CYS A 136 69.612 0.604 1.136 1.00 0.00 C ATOM 989 C CYS A 136 70.557 1.655 1.627 1.00 0.00 C ATOM 990 O CYS A 136 70.886 2.551 0.910 1.00 0.00 O ATOM 991 CB CYS A 136 70.313 -0.756 0.987 1.00 0.00 C ATOM 992 SG CYS A 136 71.902 -0.917 0.065 1.00 0.00 S ATOM 0 H CYS A 136 69.095 0.449 -0.871 1.00 0.00 H new ATOM 0 HA CYS A 136 68.836 0.454 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.490 -1.135 1.994 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.600 -1.431 0.513 1.00 0.00 H new ATOM 997 N MET A 137 70.944 1.540 2.840 1.00 0.00 N ATOM 998 CA MET A 137 71.858 2.450 3.514 1.00 0.00 C ATOM 999 C MET A 137 73.043 2.885 2.682 1.00 0.00 C ATOM 1000 O MET A 137 73.404 4.054 2.647 1.00 0.00 O ATOM 1001 CB MET A 137 72.235 1.846 4.828 1.00 0.00 C ATOM 1002 CG MET A 137 72.628 0.382 4.793 1.00 0.00 C ATOM 1003 SD MET A 137 74.326 0.074 4.288 1.00 0.00 S ATOM 1004 CE MET A 137 74.394 -1.712 4.426 1.00 0.00 C ATOM 0 H MET A 137 70.630 0.778 3.441 1.00 0.00 H new ATOM 0 HA MET A 137 71.339 3.393 3.685 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.066 2.416 5.243 1.00 0.00 H new ATOM 0 HB3 MET A 137 71.395 1.961 5.514 1.00 0.00 H new ATOM 0 HG2 MET A 137 72.474 -0.046 5.784 1.00 0.00 H new ATOM 0 HG3 MET A 137 71.959 -0.144 4.112 1.00 0.00 H new ATOM 0 HE1 MET A 137 75.388 -2.061 4.145 1.00 0.00 H new ATOM 0 HE2 MET A 137 74.183 -2.006 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 137 73.653 -2.157 3.762 1.00 0.00 H new ATOM 1014 N SER A 138 73.575 1.974 2.002 1.00 0.00 N ATOM 1015 CA SER A 138 74.661 2.241 1.077 1.00 0.00 C ATOM 1016 C SER A 138 74.207 3.110 -0.136 1.00 0.00 C ATOM 1017 O SER A 138 74.948 3.966 -0.608 1.00 0.00 O ATOM 1018 CB SER A 138 75.250 0.933 0.576 1.00 0.00 C ATOM 1019 OG SER A 138 75.781 0.158 1.638 1.00 0.00 O ATOM 0 H SER A 138 73.292 0.995 2.045 1.00 0.00 H new ATOM 0 HA SER A 138 75.417 2.806 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.480 0.362 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.035 1.142 -0.151 1.00 0.00 H new ATOM 0 HG SER A 138 75.097 0.038 2.329 1.00 0.00 H new ATOM 1025 N CYS A 139 73.003 2.883 -0.620 1.00 0.00 N ATOM 1026 CA CYS A 139 72.489 3.500 -1.785 1.00 0.00 C ATOM 1027 C CYS A 139 71.653 4.749 -1.537 1.00 0.00 C ATOM 1028 O CYS A 139 71.466 5.577 -2.427 1.00 0.00 O ATOM 1029 CB CYS A 139 71.723 2.471 -2.493 1.00 0.00 C ATOM 1030 SG CYS A 139 72.718 1.086 -2.999 1.00 0.00 S ATOM 0 H CYS A 139 72.346 2.237 -0.183 1.00 0.00 H new ATOM 0 HA CYS A 139 73.323 3.875 -2.378 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.919 2.117 -1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 139 71.255 2.915 -3.372 1.00 0.00 H new ATOM 1035 N SER A 140 71.142 4.860 -0.375 1.00 0.00 N ATOM 1036 CA SER A 140 70.327 5.953 0.005 1.00 0.00 C ATOM 1037 C SER A 140 71.186 7.177 0.292 1.00 0.00 C ATOM 1038 O SER A 140 70.853 8.296 -0.095 1.00 0.00 O ATOM 1039 CB SER A 140 69.538 5.512 1.207 1.00 0.00 C ATOM 1040 OG SER A 140 70.401 4.912 2.152 1.00 0.00 O ATOM 0 H SER A 140 71.281 4.173 0.366 1.00 0.00 H new ATOM 0 HA SER A 140 69.644 6.243 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.032 6.367 1.655 1.00 0.00 H new ATOM 0 HB3 SER A 140 68.765 4.805 0.907 1.00 0.00 H new ATOM 0 HG SER A 140 70.865 5.610 2.661 1.00 0.00 H new ATOM 1046 N ARG A 141 72.320 6.948 0.935 1.00 0.00 N ATOM 1047 CA ARG A 141 73.249 8.012 1.235 1.00 0.00 C ATOM 1048 C ARG A 141 73.925 8.498 -0.032 1.00 0.00 C ATOM 1049 O ARG A 141 74.169 9.693 -0.204 1.00 0.00 O ATOM 1050 CB ARG A 141 74.334 7.525 2.168 1.00 0.00 C ATOM 1051 CG ARG A 141 73.877 7.035 3.521 1.00 0.00 C ATOM 1052 CD ARG A 141 75.076 6.659 4.370 1.00 0.00 C ATOM 1053 NE ARG A 141 75.876 5.585 3.760 1.00 0.00 N ATOM 1054 CZ ARG A 141 77.133 5.722 3.299 1.00 0.00 C ATOM 1055 NH1 ARG A 141 77.708 6.926 3.256 1.00 0.00 N ATOM 1056 NH2 ARG A 141 77.803 4.657 2.872 1.00 0.00 N ATOM 0 H ARG A 141 72.615 6.027 1.259 1.00 0.00 H new ATOM 0 HA ARG A 141 72.681 8.818 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 141 74.873 6.716 1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 141 75.046 8.337 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 141 73.297 7.811 4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 141 73.221 6.173 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 141 75.704 7.538 4.518 1.00 0.00 H new ATOM 0 HD3 ARG A 141 74.736 6.341 5.355 1.00 0.00 H new ATOM 0 HE ARG A 141 75.444 4.664 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 141 77.194 7.748 3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 141 78.661 7.024 2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 141 77.365 3.736 2.894 1.00 0.00 H new ATOM 0 HH22 ARG A 141 78.756 4.760 2.522 1.00 0.00 H new ATOM 1070 N SER A 142 74.174 7.583 -0.918 1.00 0.00 N ATOM 1071 CA SER A 142 74.943 7.854 -2.091 1.00 0.00 C ATOM 1072 C SER A 142 74.121 8.476 -3.210 1.00 0.00 C ATOM 1073 O SER A 142 73.038 8.010 -3.541 1.00 0.00 O ATOM 1074 CB SER A 142 75.609 6.574 -2.564 1.00 0.00 C ATOM 1075 OG SER A 142 76.354 5.996 -1.505 1.00 0.00 O ATOM 0 H SER A 142 73.846 6.620 -0.846 1.00 0.00 H new ATOM 0 HA SER A 142 75.700 8.592 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 142 74.855 5.870 -2.916 1.00 0.00 H new ATOM 0 HB3 SER A 142 76.265 6.786 -3.408 1.00 0.00 H new ATOM 0 HG SER A 142 75.870 5.222 -1.149 1.00 0.00 H new ATOM 1081 N SER A 143 74.636 9.550 -3.747 1.00 0.00 N ATOM 1082 CA SER A 143 74.074 10.209 -4.900 1.00 0.00 C ATOM 1083 C SER A 143 74.896 9.813 -6.136 1.00 0.00 C ATOM 1084 O SER A 143 74.622 10.209 -7.264 1.00 0.00 O ATOM 1085 CB SER A 143 74.130 11.712 -4.659 1.00 0.00 C ATOM 1086 OG SER A 143 75.436 12.093 -4.212 1.00 0.00 O ATOM 0 H SER A 143 75.477 10.003 -3.388 1.00 0.00 H new ATOM 0 HA SER A 143 73.037 9.916 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 143 73.882 12.244 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 143 73.386 11.996 -3.915 1.00 0.00 H new ATOM 0 HG SER A 143 75.461 13.061 -4.062 1.00 0.00 H new ATOM 1092 N ARG A 144 75.918 9.024 -5.876 1.00 0.00 N ATOM 1093 CA ARG A 144 76.862 8.533 -6.867 1.00 0.00 C ATOM 1094 C ARG A 144 76.504 7.135 -7.363 1.00 0.00 C ATOM 1095 O ARG A 144 77.364 6.423 -7.881 1.00 0.00 O ATOM 1096 CB ARG A 144 78.284 8.585 -6.320 1.00 0.00 C ATOM 1097 CG ARG A 144 78.814 9.999 -6.117 1.00 0.00 C ATOM 1098 CD ARG A 144 78.954 10.741 -7.438 1.00 0.00 C ATOM 1099 NE ARG A 144 79.502 12.086 -7.252 1.00 0.00 N ATOM 1100 CZ ARG A 144 79.755 12.962 -8.232 1.00 0.00 C ATOM 1101 NH1 ARG A 144 79.543 12.637 -9.506 1.00 0.00 N ATOM 1102 NH2 ARG A 144 80.233 14.162 -7.932 1.00 0.00 N ATOM 0 H ARG A 144 76.124 8.693 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 144 76.803 9.192 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 144 78.317 8.055 -5.368 1.00 0.00 H new ATOM 0 HB3 ARG A 144 78.946 8.054 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 144 78.141 10.549 -5.460 1.00 0.00 H new ATOM 0 HG3 ARG A 144 79.782 9.957 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 144 79.602 10.174 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 144 77.979 10.809 -7.921 1.00 0.00 H new ATOM 0 HE ARG A 144 79.708 12.380 -6.297 1.00 0.00 H new ATOM 0 HH11 ARG A 144 79.184 11.712 -9.743 1.00 0.00 H new ATOM 0 HH12 ARG A 144 79.739 13.313 -10.244 1.00 0.00 H new ATOM 0 HH21 ARG A 144 80.406 14.413 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 144 80.428 14.834 -8.675 1.00 0.00 H new ATOM 1116 N THR A 145 75.265 6.728 -7.112 1.00 0.00 N ATOM 1117 CA THR A 145 74.693 5.454 -7.548 1.00 0.00 C ATOM 1118 C THR A 145 75.110 5.143 -9.014 1.00 0.00 C ATOM 1119 O THR A 145 74.828 5.917 -9.935 1.00 0.00 O ATOM 1120 CB THR A 145 73.184 5.615 -7.474 1.00 0.00 C ATOM 1121 OG1 THR A 145 72.891 6.387 -6.289 1.00 0.00 O ATOM 1122 CG2 THR A 145 72.498 4.268 -7.373 1.00 0.00 C ATOM 0 H THR A 145 74.605 7.295 -6.580 1.00 0.00 H new ATOM 0 HA THR A 145 75.045 4.635 -6.920 1.00 0.00 H new ATOM 0 HB THR A 145 72.821 6.110 -8.375 1.00 0.00 H new ATOM 0 HG1 THR A 145 71.922 6.512 -6.211 1.00 0.00 H new ATOM 0 HG21 THR A 145 71.419 4.412 -7.321 1.00 0.00 H new ATOM 0 HG22 THR A 145 72.742 3.669 -8.250 1.00 0.00 H new ATOM 0 HG23 THR A 145 72.838 3.753 -6.475 1.00 0.00 H new ATOM 1130 N ARG A 146 75.787 4.037 -9.211 1.00 0.00 N ATOM 1131 CA ARG A 146 76.404 3.740 -10.497 1.00 0.00 C ATOM 1132 C ARG A 146 75.510 2.929 -11.422 1.00 0.00 C ATOM 1133 O ARG A 146 75.465 3.177 -12.625 1.00 0.00 O ATOM 1134 CB ARG A 146 77.728 3.012 -10.276 1.00 0.00 C ATOM 1135 CG ARG A 146 78.767 3.836 -9.539 1.00 0.00 C ATOM 1136 CD ARG A 146 79.997 3.017 -9.215 1.00 0.00 C ATOM 1137 NE ARG A 146 81.036 3.827 -8.567 1.00 0.00 N ATOM 1138 CZ ARG A 146 81.975 3.358 -7.736 1.00 0.00 C ATOM 1139 NH1 ARG A 146 81.931 2.093 -7.314 1.00 0.00 N ATOM 1140 NH2 ARG A 146 82.937 4.166 -7.301 1.00 0.00 N ATOM 0 H ARG A 146 75.929 3.321 -8.499 1.00 0.00 H new ATOM 0 HA ARG A 146 76.575 4.695 -10.994 1.00 0.00 H new ATOM 0 HB2 ARG A 146 77.539 2.097 -9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 146 78.134 2.714 -11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 146 79.050 4.695 -10.148 1.00 0.00 H new ATOM 0 HG3 ARG A 146 78.336 4.227 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 146 79.721 2.189 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 146 80.395 2.581 -10.131 1.00 0.00 H new ATOM 0 HE ARG A 146 81.043 4.827 -8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 146 81.179 1.478 -7.625 1.00 0.00 H new ATOM 0 HH12 ARG A 146 82.649 1.741 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 146 82.958 5.141 -7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 146 83.654 3.811 -6.668 1.00 0.00 H new ATOM 1154 N ARG A 147 74.804 1.978 -10.879 1.00 0.00 N ATOM 1155 CA ARG A 147 74.029 1.087 -11.656 1.00 0.00 C ATOM 1156 C ARG A 147 72.630 0.906 -11.119 1.00 0.00 C ATOM 1157 O ARG A 147 72.320 1.306 -10.004 1.00 0.00 O ATOM 1158 CB ARG A 147 74.746 -0.232 -11.713 1.00 0.00 C ATOM 1159 CG ARG A 147 75.568 -0.459 -12.964 1.00 0.00 C ATOM 1160 CD ARG A 147 74.706 -0.978 -14.101 1.00 0.00 C ATOM 1161 NE ARG A 147 73.709 -0.029 -14.623 1.00 0.00 N ATOM 1162 CZ ARG A 147 72.863 -0.309 -15.633 1.00 0.00 C ATOM 1163 NH1 ARG A 147 72.992 -1.431 -16.333 1.00 0.00 N ATOM 1164 NH2 ARG A 147 71.915 0.543 -15.943 1.00 0.00 N ATOM 0 H ARG A 147 74.758 1.808 -9.874 1.00 0.00 H new ATOM 0 HA ARG A 147 73.915 1.510 -12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 147 75.402 -0.310 -10.846 1.00 0.00 H new ATOM 0 HB3 ARG A 147 74.011 -1.032 -11.629 1.00 0.00 H new ATOM 0 HG2 ARG A 147 76.045 0.474 -13.263 1.00 0.00 H new ATOM 0 HG3 ARG A 147 76.365 -1.172 -12.754 1.00 0.00 H new ATOM 0 HD2 ARG A 147 75.359 -1.280 -14.920 1.00 0.00 H new ATOM 0 HD3 ARG A 147 74.186 -1.874 -13.761 1.00 0.00 H new ATOM 0 HE ARG A 147 73.656 0.895 -14.195 1.00 0.00 H new ATOM 0 HH11 ARG A 147 73.737 -2.090 -16.107 1.00 0.00 H new ATOM 0 HH12 ARG A 147 72.346 -1.633 -17.096 1.00 0.00 H new ATOM 0 HH21 ARG A 147 71.821 1.414 -15.420 1.00 0.00 H new ATOM 0 HH22 ARG A 147 71.272 0.335 -16.707 1.00 0.00 H new ATOM 1178 N GLU A 148 71.795 0.300 -11.942 1.00 0.00 N ATOM 1179 CA GLU A 148 70.428 0.035 -11.636 1.00 0.00 C ATOM 1180 C GLU A 148 70.296 -1.340 -11.038 1.00 0.00 C ATOM 1181 O GLU A 148 69.473 -1.586 -10.185 1.00 0.00 O ATOM 1182 CB GLU A 148 69.649 0.087 -12.939 1.00 0.00 C ATOM 1183 CG GLU A 148 69.213 1.474 -13.395 1.00 0.00 C ATOM 1184 CD GLU A 148 70.314 2.502 -13.422 1.00 0.00 C ATOM 1185 OE1 GLU A 148 71.232 2.409 -14.263 1.00 0.00 O ATOM 1186 OE2 GLU A 148 70.288 3.412 -12.590 1.00 0.00 O ATOM 0 H GLU A 148 72.072 -0.026 -12.868 1.00 0.00 H new ATOM 0 HA GLU A 148 70.050 0.767 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 148 70.261 -0.358 -13.724 1.00 0.00 H new ATOM 0 HB3 GLU A 148 68.761 -0.537 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 148 68.783 1.395 -14.394 1.00 0.00 H new ATOM 0 HG3 GLU A 148 68.421 1.827 -12.734 1.00 0.00 H new ATOM 1193 N THR A 149 71.108 -2.239 -11.518 1.00 0.00 N ATOM 1194 CA THR A 149 71.036 -3.611 -11.078 1.00 0.00 C ATOM 1195 C THR A 149 72.397 -4.279 -11.210 1.00 0.00 C ATOM 1196 O THR A 149 72.540 -5.497 -11.109 1.00 0.00 O ATOM 1197 CB THR A 149 69.950 -4.330 -11.903 1.00 0.00 C ATOM 1198 OG1 THR A 149 69.726 -5.666 -11.449 1.00 0.00 O ATOM 1199 CG2 THR A 149 70.322 -4.314 -13.387 1.00 0.00 C ATOM 0 H THR A 149 71.829 -2.050 -12.214 1.00 0.00 H new ATOM 0 HA THR A 149 70.763 -3.663 -10.024 1.00 0.00 H new ATOM 0 HB THR A 149 69.015 -3.788 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 149 69.056 -5.661 -10.734 1.00 0.00 H new ATOM 0 HG21 THR A 149 69.549 -4.824 -13.961 1.00 0.00 H new ATOM 0 HG22 THR A 149 70.408 -3.283 -13.730 1.00 0.00 H new ATOM 0 HG23 THR A 149 71.275 -4.824 -13.529 1.00 0.00 H new ATOM 1207 N GLN A 150 73.404 -3.436 -11.370 1.00 0.00 N ATOM 1208 CA GLN A 150 74.801 -3.861 -11.459 1.00 0.00 C ATOM 1209 C GLN A 150 75.046 -4.847 -12.590 1.00 0.00 C ATOM 1210 O GLN A 150 75.999 -5.620 -12.582 1.00 0.00 O ATOM 1211 CB GLN A 150 75.301 -4.365 -10.102 1.00 0.00 C ATOM 1212 CG GLN A 150 75.536 -3.249 -9.073 1.00 0.00 C ATOM 1213 CD GLN A 150 74.311 -2.469 -8.618 1.00 0.00 C ATOM 1214 OE1 GLN A 150 74.400 -1.284 -8.337 1.00 0.00 O ATOM 1215 NE2 GLN A 150 73.204 -3.120 -8.481 1.00 0.00 N ATOM 0 H GLN A 150 73.279 -2.426 -11.443 1.00 0.00 H new ATOM 0 HA GLN A 150 75.396 -2.985 -11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 150 74.576 -5.072 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 150 76.232 -4.912 -10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 150 76.004 -3.691 -8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 150 76.252 -2.543 -9.494 1.00 0.00 H new ATOM 0 HE21 GLN A 150 73.161 -4.110 -8.724 1.00 0.00 H new ATOM 0 HE22 GLN A 150 72.373 -2.644 -8.130 1.00 0.00 H new ATOM 1224 N LEU A 151 74.205 -4.753 -13.574 1.00 0.00 N ATOM 1225 CA LEU A 151 74.294 -5.514 -14.763 1.00 0.00 C ATOM 1226 C LEU A 151 73.863 -4.534 -15.843 1.00 0.00 C ATOM 1227 O LEU A 151 72.712 -4.575 -16.299 1.00 0.00 O ATOM 1228 CB LEU A 151 73.333 -6.728 -14.683 1.00 0.00 C ATOM 1229 CG LEU A 151 73.668 -7.975 -15.543 1.00 0.00 C ATOM 1230 CD1 LEU A 151 72.587 -9.029 -15.386 1.00 0.00 C ATOM 1231 CD2 LEU A 151 73.865 -7.638 -17.011 1.00 0.00 C ATOM 1232 OXT LEU A 151 74.639 -3.599 -16.125 1.00 0.00 O ATOM 0 H LEU A 151 73.409 -4.115 -13.561 1.00 0.00 H new ATOM 0 HA LEU A 151 75.286 -5.924 -14.950 1.00 0.00 H new ATOM 0 HB2 LEU A 151 73.279 -7.044 -13.641 1.00 0.00 H new ATOM 0 HB3 LEU A 151 72.337 -6.386 -14.964 1.00 0.00 H new ATOM 0 HG LEU A 151 74.616 -8.368 -15.176 1.00 0.00 H new ATOM 0 HD11 LEU A 151 72.835 -9.898 -15.995 1.00 0.00 H new ATOM 0 HD12 LEU A 151 72.518 -9.327 -14.340 1.00 0.00 H new ATOM 0 HD13 LEU A 151 71.630 -8.620 -15.710 1.00 0.00 H new ATOM 0 HD21 LEU A 151 74.097 -8.548 -17.565 1.00 0.00 H new ATOM 0 HD22 LEU A 151 72.952 -7.194 -17.408 1.00 0.00 H new ATOM 0 HD23 LEU A 151 74.687 -6.930 -17.115 1.00 0.00 H new TER 1244 LEU A 151 HETATM 1245 ZN ZN A 201 71.659 -0.776 -2.237 1.00 0.00 ZN