USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 563 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 Single : A 1 GLY N :NH3+ -132:sc= 0.0235 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 3 SER OG : rot 67:sc= 1.14 USER MOD Single : A 5 SER OG : rot 45:sc= 0.742 USER MOD Single : A 6 SER OG : rot -48:sc= 0.686 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 141:sc= 0.005 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -51:sc= 0.0326 USER MOD Single : A 34 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0318) USER MOD Single : A 36 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-6.3!) USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= -0.0253 (180deg=-0.257) USER MOD Single : A 40 ASN : amide:sc= -2.22 K(o=-2.2,f=-7.3!) USER MOD Single : A 41 HIS : no HD1:sc= -0.452 K(o=-0.45,f=-1.8) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -90:sc= 1.15 USER MOD Single : A 61 ASN : amide:sc= -3.43! C(o=-3.4!,f=-2.8!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= -0.206 (180deg=-0.309) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot -131:sc= -0.74 USER MOD Single : A 70 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.16) USER MOD Single : A 73 SER OG : rot 146:sc= 0.0471 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.635 -12.938 19.527 1.00 0.00 N ATOM 2 CA GLY A 1 -1.678 -13.575 18.642 1.00 0.00 C ATOM 3 C GLY A 1 -1.319 -12.705 17.453 1.00 0.00 C ATOM 4 O GLY A 1 -1.275 -11.480 17.563 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.305 -13.018 20.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.727 -11.934 19.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.559 -13.405 19.433 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.773 -13.812 19.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.090 -14.519 18.286 1.00 0.00 H new ATOM 8 N SER A 2 -1.061 -13.340 16.314 1.00 0.00 N ATOM 9 CA SER A 2 -0.699 -12.616 15.101 1.00 0.00 C ATOM 10 C SER A 2 -1.906 -12.459 14.182 1.00 0.00 C ATOM 11 O SER A 2 -2.366 -11.345 13.929 1.00 0.00 O ATOM 12 CB SER A 2 0.426 -13.345 14.364 1.00 0.00 C ATOM 13 OG SER A 2 0.102 -14.709 14.158 1.00 0.00 O ATOM 0 H SER A 2 -1.096 -14.354 16.206 1.00 0.00 H new ATOM 0 HA SER A 2 -0.352 -11.624 15.389 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.608 -12.862 13.404 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.349 -13.270 14.938 1.00 0.00 H new ATOM 0 HG SER A 2 0.836 -15.152 13.684 1.00 0.00 H new ATOM 19 N SER A 3 -2.414 -13.582 13.685 1.00 0.00 N ATOM 20 CA SER A 3 -3.566 -13.570 12.790 1.00 0.00 C ATOM 21 C SER A 3 -3.443 -12.449 11.763 1.00 0.00 C ATOM 22 O SER A 3 -4.359 -11.645 11.592 1.00 0.00 O ATOM 23 CB SER A 3 -4.859 -13.404 13.591 1.00 0.00 C ATOM 24 OG SER A 3 -5.070 -12.048 13.945 1.00 0.00 O ATOM 0 H SER A 3 -2.046 -14.512 13.887 1.00 0.00 H new ATOM 0 HA SER A 3 -3.595 -14.523 12.261 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.703 -13.765 13.004 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.813 -14.015 14.492 1.00 0.00 H new ATOM 0 HG SER A 3 -5.248 -11.523 13.137 1.00 0.00 H new ATOM 30 N GLY A 4 -2.304 -12.402 11.079 1.00 0.00 N ATOM 31 CA GLY A 4 -2.081 -11.376 10.077 1.00 0.00 C ATOM 32 C GLY A 4 -1.025 -10.373 10.499 1.00 0.00 C ATOM 33 O GLY A 4 -1.348 -9.275 10.950 1.00 0.00 O ATOM 0 H GLY A 4 -1.531 -13.057 11.201 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.778 -11.846 9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.017 -10.853 9.882 1.00 0.00 H new ATOM 37 N SER A 5 0.240 -10.752 10.352 1.00 0.00 N ATOM 38 CA SER A 5 1.347 -9.879 10.726 1.00 0.00 C ATOM 39 C SER A 5 1.487 -8.725 9.738 1.00 0.00 C ATOM 40 O SER A 5 2.198 -8.833 8.739 1.00 0.00 O ATOM 41 CB SER A 5 2.653 -10.674 10.788 1.00 0.00 C ATOM 42 OG SER A 5 2.935 -11.289 9.543 1.00 0.00 O ATOM 0 H SER A 5 0.524 -11.657 9.977 1.00 0.00 H new ATOM 0 HA SER A 5 1.134 -9.466 11.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.473 -10.011 11.064 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.583 -11.435 11.565 1.00 0.00 H new ATOM 0 HG SER A 5 2.776 -10.649 8.818 1.00 0.00 H new ATOM 48 N SER A 6 0.805 -7.622 10.026 1.00 0.00 N ATOM 49 CA SER A 6 0.849 -6.449 9.161 1.00 0.00 C ATOM 50 C SER A 6 0.719 -6.849 7.694 1.00 0.00 C ATOM 51 O SER A 6 1.374 -6.279 6.823 1.00 0.00 O ATOM 52 CB SER A 6 2.153 -5.678 9.377 1.00 0.00 C ATOM 53 OG SER A 6 2.160 -4.469 8.639 1.00 0.00 O ATOM 0 H SER A 6 0.215 -7.516 10.851 1.00 0.00 H new ATOM 0 HA SER A 6 0.008 -5.806 9.420 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.279 -5.461 10.438 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.999 -6.296 9.076 1.00 0.00 H new ATOM 0 HG SER A 6 1.886 -4.648 7.715 1.00 0.00 H new ATOM 59 N GLY A 7 -0.132 -7.836 7.430 1.00 0.00 N ATOM 60 CA GLY A 7 -0.334 -8.297 6.069 1.00 0.00 C ATOM 61 C GLY A 7 -1.605 -7.748 5.453 1.00 0.00 C ATOM 62 O GLY A 7 -2.406 -8.498 4.894 1.00 0.00 O ATOM 0 H GLY A 7 -0.685 -8.324 8.134 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.519 -8.001 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.371 -9.386 6.059 1.00 0.00 H new ATOM 66 N ASP A 8 -1.792 -6.437 5.555 1.00 0.00 N ATOM 67 CA ASP A 8 -2.976 -5.788 5.004 1.00 0.00 C ATOM 68 C ASP A 8 -2.604 -4.489 4.296 1.00 0.00 C ATOM 69 O ASP A 8 -1.845 -3.677 4.825 1.00 0.00 O ATOM 70 CB ASP A 8 -3.992 -5.506 6.113 1.00 0.00 C ATOM 71 CG ASP A 8 -4.490 -6.774 6.778 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.300 -7.491 6.154 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.071 -7.048 7.922 1.00 0.00 O ATOM 0 H ASP A 8 -1.139 -5.802 6.014 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.424 -6.463 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.536 -4.860 6.864 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.839 -4.961 5.696 1.00 0.00 H new ATOM 78 N TYR A 9 -3.143 -4.300 3.096 1.00 0.00 N ATOM 79 CA TYR A 9 -2.865 -3.102 2.314 1.00 0.00 C ATOM 80 C TYR A 9 -2.782 -1.872 3.212 1.00 0.00 C ATOM 81 O TYR A 9 -1.766 -1.177 3.241 1.00 0.00 O ATOM 82 CB TYR A 9 -3.946 -2.900 1.250 1.00 0.00 C ATOM 83 CG TYR A 9 -4.015 -4.019 0.236 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.857 -4.614 -0.250 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.237 -4.481 -0.236 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.915 -5.637 -1.177 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.305 -5.504 -1.162 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.141 -6.079 -1.629 1.00 0.00 C ATOM 89 OH TYR A 9 -4.204 -7.097 -2.553 1.00 0.00 O ATOM 0 H TYR A 9 -3.775 -4.961 2.644 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.901 -3.235 1.822 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.914 -2.806 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.760 -1.960 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.896 -4.271 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.150 -4.033 0.127 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.006 -6.088 -1.546 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.264 -5.852 -1.518 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.141 -7.289 -2.765 1.00 0.00 H new ATOM 99 N TYR A 10 -3.859 -1.609 3.944 1.00 0.00 N ATOM 100 CA TYR A 10 -3.911 -0.462 4.842 1.00 0.00 C ATOM 101 C TYR A 10 -2.659 -0.394 5.712 1.00 0.00 C ATOM 102 O TYR A 10 -2.155 0.688 6.010 1.00 0.00 O ATOM 103 CB TYR A 10 -5.157 -0.535 5.726 1.00 0.00 C ATOM 104 CG TYR A 10 -6.441 -0.231 4.989 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.593 0.951 4.275 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.503 -1.127 5.006 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.765 1.234 3.601 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.679 -0.854 4.333 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.805 0.328 3.633 1.00 0.00 C ATOM 110 OH TYR A 10 -9.973 0.605 2.961 1.00 0.00 O ATOM 0 H TYR A 10 -4.708 -2.175 3.933 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.958 0.441 4.234 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.225 -1.532 6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.047 0.167 6.553 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.780 1.661 4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.408 -2.053 5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.867 2.159 3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.494 -1.562 4.355 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.314 -0.215 2.546 1.00 0.00 H new ATOM 120 N GLU A 11 -2.164 -1.560 6.116 1.00 0.00 N ATOM 121 CA GLU A 11 -0.971 -1.633 6.952 1.00 0.00 C ATOM 122 C GLU A 11 0.287 -1.370 6.130 1.00 0.00 C ATOM 123 O GLU A 11 1.075 -0.479 6.449 1.00 0.00 O ATOM 124 CB GLU A 11 -0.877 -3.004 7.625 1.00 0.00 C ATOM 125 CG GLU A 11 -1.964 -3.252 8.657 1.00 0.00 C ATOM 126 CD GLU A 11 -2.131 -2.092 9.619 1.00 0.00 C ATOM 127 OE1 GLU A 11 -2.794 -1.102 9.245 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.598 -2.174 10.745 1.00 0.00 O ATOM 0 H GLU A 11 -2.570 -2.465 5.879 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.049 -0.863 7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.930 -3.779 6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.097 -3.097 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.910 -3.435 8.146 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.726 -4.155 9.220 1.00 0.00 H new ATOM 135 N ILE A 12 0.469 -2.153 5.071 1.00 0.00 N ATOM 136 CA ILE A 12 1.630 -2.004 4.203 1.00 0.00 C ATOM 137 C ILE A 12 1.946 -0.533 3.953 1.00 0.00 C ATOM 138 O ILE A 12 3.107 -0.123 3.981 1.00 0.00 O ATOM 139 CB ILE A 12 1.415 -2.708 2.850 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.340 -4.224 3.045 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.532 -2.348 1.882 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.865 -4.968 1.817 1.00 0.00 C ATOM 0 H ILE A 12 -0.172 -2.896 4.794 1.00 0.00 H new ATOM 0 HA ILE A 12 2.470 -2.471 4.718 1.00 0.00 H new ATOM 0 HB ILE A 12 0.470 -2.368 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.325 -4.595 3.326 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.668 -4.443 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.366 -2.853 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.542 -1.270 1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.489 -2.663 2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.836 -6.037 2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.134 -4.624 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.549 -4.779 0.990 1.00 0.00 H new ATOM 154 N LEU A 13 0.906 0.257 3.712 1.00 0.00 N ATOM 155 CA LEU A 13 1.071 1.684 3.460 1.00 0.00 C ATOM 156 C LEU A 13 1.279 2.447 4.764 1.00 0.00 C ATOM 157 O LEU A 13 2.106 3.354 4.839 1.00 0.00 O ATOM 158 CB LEU A 13 -0.149 2.236 2.721 1.00 0.00 C ATOM 159 CG LEU A 13 -0.429 1.634 1.344 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.842 1.969 0.892 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.589 2.129 0.328 1.00 0.00 C ATOM 0 H LEU A 13 -0.061 -0.067 3.686 1.00 0.00 H new ATOM 0 HA LEU A 13 1.956 1.818 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.028 2.084 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.023 3.312 2.606 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.341 0.550 1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.023 1.532 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.558 1.564 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.959 3.051 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.374 1.690 -0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.533 3.215 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.590 1.837 0.644 1.00 0.00 H new ATOM 173 N GLY A 14 0.522 2.071 5.791 1.00 0.00 N ATOM 174 CA GLY A 14 0.640 2.729 7.079 1.00 0.00 C ATOM 175 C GLY A 14 -0.492 3.703 7.338 1.00 0.00 C ATOM 176 O GLY A 14 -0.262 4.832 7.771 1.00 0.00 O ATOM 0 H GLY A 14 -0.170 1.323 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.656 1.977 7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.591 3.260 7.126 1.00 0.00 H new ATOM 180 N VAL A 15 -1.719 3.268 7.070 1.00 0.00 N ATOM 181 CA VAL A 15 -2.891 4.110 7.276 1.00 0.00 C ATOM 182 C VAL A 15 -4.018 3.330 7.945 1.00 0.00 C ATOM 183 O VAL A 15 -3.930 2.114 8.112 1.00 0.00 O ATOM 184 CB VAL A 15 -3.405 4.692 5.945 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.299 5.458 5.235 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.954 3.586 5.057 1.00 0.00 C ATOM 0 H VAL A 15 -1.927 2.337 6.710 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.582 4.928 7.927 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.215 5.388 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.680 5.862 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.957 6.276 5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.466 4.786 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.313 4.015 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.166 2.863 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.778 3.086 5.566 1.00 0.00 H new ATOM 196 N SER A 16 -5.076 4.039 8.325 1.00 0.00 N ATOM 197 CA SER A 16 -6.219 3.414 8.980 1.00 0.00 C ATOM 198 C SER A 16 -7.145 2.766 7.954 1.00 0.00 C ATOM 199 O SER A 16 -7.015 2.997 6.752 1.00 0.00 O ATOM 200 CB SER A 16 -6.993 4.448 9.800 1.00 0.00 C ATOM 201 OG SER A 16 -6.441 4.585 11.098 1.00 0.00 O ATOM 0 H SER A 16 -5.165 5.046 8.191 1.00 0.00 H new ATOM 0 HA SER A 16 -5.844 2.638 9.648 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.973 5.411 9.289 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.038 4.149 9.875 1.00 0.00 H new ATOM 0 HG SER A 16 -6.952 5.253 11.602 1.00 0.00 H new ATOM 207 N ARG A 17 -8.079 1.954 8.439 1.00 0.00 N ATOM 208 CA ARG A 17 -9.026 1.271 7.566 1.00 0.00 C ATOM 209 C ARG A 17 -10.129 2.222 7.111 1.00 0.00 C ATOM 210 O ARG A 17 -11.055 2.521 7.864 1.00 0.00 O ATOM 211 CB ARG A 17 -9.639 0.068 8.284 1.00 0.00 C ATOM 212 CG ARG A 17 -8.813 -1.202 8.158 1.00 0.00 C ATOM 213 CD ARG A 17 -9.580 -2.416 8.657 1.00 0.00 C ATOM 214 NE ARG A 17 -9.442 -2.597 10.100 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.029 -3.577 10.778 1.00 0.00 C ATOM 216 NH1 ARG A 17 -10.789 -4.461 10.146 1.00 0.00 N ATOM 217 NH2 ARG A 17 -9.855 -3.675 12.089 1.00 0.00 N ATOM 0 H ARG A 17 -8.200 1.753 9.432 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.484 0.923 6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.761 0.309 9.340 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.635 -0.115 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.530 -1.352 7.116 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.889 -1.095 8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.635 -2.307 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.220 -3.308 8.144 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.863 -1.934 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.924 -4.389 9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.239 -5.213 10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.270 -2.997 12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.306 -4.428 12.608 1.00 0.00 H new ATOM 231 N GLY A 18 -10.023 2.695 5.873 1.00 0.00 N ATOM 232 CA GLY A 18 -11.017 3.608 5.339 1.00 0.00 C ATOM 233 C GLY A 18 -10.421 4.940 4.929 1.00 0.00 C ATOM 234 O GLY A 18 -11.142 5.920 4.745 1.00 0.00 O ATOM 0 H GLY A 18 -9.266 2.462 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.501 3.149 4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.791 3.775 6.088 1.00 0.00 H new ATOM 238 N ALA A 19 -9.100 4.977 4.788 1.00 0.00 N ATOM 239 CA ALA A 19 -8.408 6.198 4.397 1.00 0.00 C ATOM 240 C ALA A 19 -8.754 6.592 2.965 1.00 0.00 C ATOM 241 O ALA A 19 -8.823 5.742 2.077 1.00 0.00 O ATOM 242 CB ALA A 19 -6.904 6.024 4.549 1.00 0.00 C ATOM 0 H ALA A 19 -8.488 4.175 4.939 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.739 7.000 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.400 6.944 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.667 5.798 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.566 5.205 3.914 1.00 0.00 H new ATOM 248 N SER A 20 -8.973 7.885 2.747 1.00 0.00 N ATOM 249 CA SER A 20 -9.317 8.390 1.424 1.00 0.00 C ATOM 250 C SER A 20 -8.109 8.341 0.493 1.00 0.00 C ATOM 251 O SER A 20 -6.976 8.157 0.937 1.00 0.00 O ATOM 252 CB SER A 20 -9.841 9.824 1.522 1.00 0.00 C ATOM 253 OG SER A 20 -10.814 9.942 2.545 1.00 0.00 O ATOM 0 H SER A 20 -8.918 8.602 3.471 1.00 0.00 H new ATOM 0 HA SER A 20 -10.099 7.753 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.013 10.504 1.723 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.274 10.122 0.567 1.00 0.00 H new ATOM 0 HG SER A 20 -11.132 10.868 2.589 1.00 0.00 H new ATOM 259 N ASP A 21 -8.361 8.507 -0.801 1.00 0.00 N ATOM 260 CA ASP A 21 -7.295 8.483 -1.796 1.00 0.00 C ATOM 261 C ASP A 21 -6.162 9.426 -1.403 1.00 0.00 C ATOM 262 O ASP A 21 -5.005 9.200 -1.753 1.00 0.00 O ATOM 263 CB ASP A 21 -7.843 8.870 -3.171 1.00 0.00 C ATOM 264 CG ASP A 21 -8.673 7.765 -3.795 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.287 6.984 -3.038 1.00 0.00 O ATOM 266 OD2 ASP A 21 -8.710 7.683 -5.040 1.00 0.00 O ATOM 0 H ASP A 21 -9.293 8.660 -1.185 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.899 7.469 -1.843 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.452 9.769 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.013 9.116 -3.834 1.00 0.00 H new ATOM 271 N GLU A 22 -6.506 10.483 -0.674 1.00 0.00 N ATOM 272 CA GLU A 22 -5.518 11.461 -0.235 1.00 0.00 C ATOM 273 C GLU A 22 -4.512 10.827 0.721 1.00 0.00 C ATOM 274 O GLU A 22 -3.308 10.825 0.461 1.00 0.00 O ATOM 275 CB GLU A 22 -6.207 12.646 0.445 1.00 0.00 C ATOM 276 CG GLU A 22 -5.350 13.900 0.499 1.00 0.00 C ATOM 277 CD GLU A 22 -6.156 15.144 0.818 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.354 15.180 0.467 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.590 16.081 1.418 1.00 0.00 O ATOM 0 H GLU A 22 -7.460 10.684 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.982 11.818 -1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.132 12.871 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.483 12.361 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.573 13.772 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.847 14.033 -0.459 1.00 0.00 H new ATOM 286 N ASP A 23 -5.014 10.290 1.828 1.00 0.00 N ATOM 287 CA ASP A 23 -4.160 9.652 2.823 1.00 0.00 C ATOM 288 C ASP A 23 -3.337 8.532 2.195 1.00 0.00 C ATOM 289 O ASP A 23 -2.130 8.431 2.422 1.00 0.00 O ATOM 290 CB ASP A 23 -5.006 9.098 3.971 1.00 0.00 C ATOM 291 CG ASP A 23 -4.255 9.081 5.288 1.00 0.00 C ATOM 292 OD1 ASP A 23 -3.652 10.117 5.639 1.00 0.00 O ATOM 293 OD2 ASP A 23 -4.269 8.033 5.967 1.00 0.00 O ATOM 0 H ASP A 23 -6.008 10.284 2.059 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.476 10.404 3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.908 9.701 4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.327 8.086 3.726 1.00 0.00 H new ATOM 298 N LEU A 24 -3.996 7.691 1.406 1.00 0.00 N ATOM 299 CA LEU A 24 -3.326 6.576 0.745 1.00 0.00 C ATOM 300 C LEU A 24 -2.180 7.072 -0.131 1.00 0.00 C ATOM 301 O LEU A 24 -1.129 6.437 -0.216 1.00 0.00 O ATOM 302 CB LEU A 24 -4.324 5.784 -0.100 1.00 0.00 C ATOM 303 CG LEU A 24 -5.595 5.326 0.615 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.757 5.242 -0.363 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.370 3.983 1.295 1.00 0.00 C ATOM 0 H LEU A 24 -4.994 7.760 1.208 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.914 5.923 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.613 6.396 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.817 4.904 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.843 6.061 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.653 4.914 0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.933 6.223 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.518 4.528 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.285 3.672 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.097 3.238 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.567 4.075 2.026 1.00 0.00 H new ATOM 317 N LYS A 25 -2.389 8.213 -0.779 1.00 0.00 N ATOM 318 CA LYS A 25 -1.373 8.798 -1.647 1.00 0.00 C ATOM 319 C LYS A 25 -0.163 9.253 -0.837 1.00 0.00 C ATOM 320 O LYS A 25 0.923 8.685 -0.953 1.00 0.00 O ATOM 321 CB LYS A 25 -1.956 9.981 -2.423 1.00 0.00 C ATOM 322 CG LYS A 25 -1.009 10.551 -3.465 1.00 0.00 C ATOM 323 CD LYS A 25 -1.691 11.605 -4.321 1.00 0.00 C ATOM 324 CE LYS A 25 -2.398 10.983 -5.515 1.00 0.00 C ATOM 325 NZ LYS A 25 -3.331 11.941 -6.168 1.00 0.00 N ATOM 0 H LYS A 25 -3.253 8.751 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.049 8.033 -2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.876 9.664 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.226 10.769 -1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.142 10.988 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.640 9.747 -4.102 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.412 12.155 -3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.952 12.326 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.657 10.646 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.951 10.101 -5.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.793 11.479 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.053 12.244 -5.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.800 12.771 -6.500 1.00 0.00 H new ATOM 339 N LYS A 26 -0.358 10.280 -0.017 1.00 0.00 N ATOM 340 CA LYS A 26 0.716 10.810 0.814 1.00 0.00 C ATOM 341 C LYS A 26 1.487 9.682 1.491 1.00 0.00 C ATOM 342 O LYS A 26 2.710 9.599 1.378 1.00 0.00 O ATOM 343 CB LYS A 26 0.149 11.761 1.871 1.00 0.00 C ATOM 344 CG LYS A 26 -0.389 13.059 1.295 1.00 0.00 C ATOM 345 CD LYS A 26 -0.798 14.029 2.392 1.00 0.00 C ATOM 346 CE LYS A 26 -1.874 14.991 1.913 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.291 16.176 1.225 1.00 0.00 N ATOM 0 H LYS A 26 -1.251 10.762 0.090 1.00 0.00 H new ATOM 0 HA LYS A 26 1.402 11.360 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.650 11.255 2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.929 11.991 2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.371 13.521 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.247 12.847 0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.165 13.471 3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.074 14.593 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.549 14.472 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.470 15.322 2.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.056 16.808 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.666 16.686 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.743 15.863 0.399 1.00 0.00 H new ATOM 361 N ALA A 27 0.765 8.816 2.195 1.00 0.00 N ATOM 362 CA ALA A 27 1.382 7.692 2.887 1.00 0.00 C ATOM 363 C ALA A 27 2.209 6.843 1.927 1.00 0.00 C ATOM 364 O ALA A 27 3.399 6.621 2.147 1.00 0.00 O ATOM 365 CB ALA A 27 0.317 6.841 3.564 1.00 0.00 C ATOM 0 H ALA A 27 -0.248 8.872 2.301 1.00 0.00 H new ATOM 0 HA ALA A 27 2.053 8.090 3.649 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.792 6.005 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.229 7.448 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.376 6.460 2.814 1.00 0.00 H new ATOM 371 N TYR A 28 1.570 6.371 0.862 1.00 0.00 N ATOM 372 CA TYR A 28 2.246 5.543 -0.130 1.00 0.00 C ATOM 373 C TYR A 28 3.592 6.148 -0.518 1.00 0.00 C ATOM 374 O TYR A 28 4.626 5.484 -0.451 1.00 0.00 O ATOM 375 CB TYR A 28 1.369 5.382 -1.373 1.00 0.00 C ATOM 376 CG TYR A 28 2.093 4.766 -2.549 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.833 3.599 -2.401 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.037 5.351 -3.808 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.496 3.033 -3.473 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.697 4.791 -4.886 1.00 0.00 C ATOM 381 CZ TYR A 28 3.425 3.633 -4.713 1.00 0.00 C ATOM 382 OH TYR A 28 4.084 3.072 -5.783 1.00 0.00 O ATOM 0 H TYR A 28 0.585 6.548 0.664 1.00 0.00 H new ATOM 0 HA TYR A 28 2.423 4.562 0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.508 4.763 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.984 6.359 -1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.891 3.126 -1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.468 6.259 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.067 2.126 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.643 5.258 -5.858 1.00 0.00 H new ATOM 0 HH TYR A 28 5.018 2.903 -5.540 1.00 0.00 H new ATOM 392 N ARG A 29 3.569 7.414 -0.923 1.00 0.00 N ATOM 393 CA ARG A 29 4.786 8.110 -1.323 1.00 0.00 C ATOM 394 C ARG A 29 5.780 8.175 -0.166 1.00 0.00 C ATOM 395 O ARG A 29 6.899 7.673 -0.268 1.00 0.00 O ATOM 396 CB ARG A 29 4.456 9.523 -1.806 1.00 0.00 C ATOM 397 CG ARG A 29 3.493 9.555 -2.981 1.00 0.00 C ATOM 398 CD ARG A 29 3.718 10.781 -3.853 1.00 0.00 C ATOM 399 NE ARG A 29 5.097 10.873 -4.322 1.00 0.00 N ATOM 400 CZ ARG A 29 5.554 11.872 -5.070 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.745 12.859 -5.430 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.823 11.885 -5.458 1.00 0.00 N ATOM 0 H ARG A 29 2.721 7.978 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 29 5.242 7.552 -2.141 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.027 10.089 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.380 10.026 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.618 8.653 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.467 9.553 -2.612 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.045 10.745 -4.710 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.467 11.679 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 29 5.745 10.130 -4.061 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.769 12.853 -5.133 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.098 13.624 -6.004 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.448 11.128 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.173 12.652 -6.032 1.00 0.00 H new ATOM 416 N ARG A 30 5.362 8.797 0.931 1.00 0.00 N ATOM 417 CA ARG A 30 6.215 8.930 2.106 1.00 0.00 C ATOM 418 C ARG A 30 7.099 7.698 2.278 1.00 0.00 C ATOM 419 O ARG A 30 8.230 7.794 2.758 1.00 0.00 O ATOM 420 CB ARG A 30 5.364 9.140 3.359 1.00 0.00 C ATOM 421 CG ARG A 30 6.155 9.047 4.654 1.00 0.00 C ATOM 422 CD ARG A 30 5.249 8.758 5.841 1.00 0.00 C ATOM 423 NE ARG A 30 4.755 9.983 6.465 1.00 0.00 N ATOM 424 CZ ARG A 30 4.137 10.011 7.640 1.00 0.00 C ATOM 425 NH1 ARG A 30 3.937 8.887 8.315 1.00 0.00 N ATOM 426 NH2 ARG A 30 3.717 11.165 8.142 1.00 0.00 N ATOM 0 H ARG A 30 4.438 9.217 1.031 1.00 0.00 H new ATOM 0 HA ARG A 30 6.857 9.799 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.886 10.118 3.304 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.567 8.397 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.905 8.261 4.568 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.690 9.981 4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.404 8.152 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.795 8.170 6.579 1.00 0.00 H new ATOM 0 HE ARG A 30 4.892 10.865 5.971 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.258 7.998 7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.462 8.912 9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.869 12.031 7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.242 11.186 9.045 1.00 0.00 H new ATOM 440 N LEU A 31 6.577 6.542 1.883 1.00 0.00 N ATOM 441 CA LEU A 31 7.318 5.291 1.994 1.00 0.00 C ATOM 442 C LEU A 31 8.218 5.081 0.781 1.00 0.00 C ATOM 443 O LEU A 31 9.435 4.954 0.913 1.00 0.00 O ATOM 444 CB LEU A 31 6.351 4.114 2.135 1.00 0.00 C ATOM 445 CG LEU A 31 5.311 4.229 3.251 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.329 3.070 3.187 1.00 0.00 C ATOM 447 CD2 LEU A 31 5.992 4.279 4.611 1.00 0.00 C ATOM 0 H LEU A 31 5.644 6.445 1.483 1.00 0.00 H new ATOM 0 HA LEU A 31 7.946 5.347 2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.826 3.986 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.934 3.208 2.301 1.00 0.00 H new ATOM 0 HG LEU A 31 4.756 5.157 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.597 3.169 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.817 3.079 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.868 2.130 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.237 4.361 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.573 3.369 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.655 5.143 4.655 1.00 0.00 H new ATOM 459 N ALA A 32 7.611 5.050 -0.401 1.00 0.00 N ATOM 460 CA ALA A 32 8.358 4.861 -1.639 1.00 0.00 C ATOM 461 C ALA A 32 9.661 5.653 -1.620 1.00 0.00 C ATOM 462 O ALA A 32 10.734 5.108 -1.879 1.00 0.00 O ATOM 463 CB ALA A 32 7.509 5.265 -2.835 1.00 0.00 C ATOM 0 H ALA A 32 6.604 5.153 -0.527 1.00 0.00 H new ATOM 0 HA ALA A 32 8.608 3.804 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.079 5.119 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.609 4.651 -2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.230 6.315 -2.745 1.00 0.00 H new ATOM 469 N LEU A 33 9.560 6.941 -1.313 1.00 0.00 N ATOM 470 CA LEU A 33 10.731 7.810 -1.261 1.00 0.00 C ATOM 471 C LEU A 33 11.779 7.253 -0.304 1.00 0.00 C ATOM 472 O LEU A 33 12.981 7.364 -0.549 1.00 0.00 O ATOM 473 CB LEU A 33 10.326 9.220 -0.828 1.00 0.00 C ATOM 474 CG LEU A 33 9.566 10.049 -1.866 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.533 10.678 -2.857 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.542 9.188 -2.590 1.00 0.00 C ATOM 0 H LEU A 33 8.679 7.407 -1.096 1.00 0.00 H new ATOM 0 HA LEU A 33 11.165 7.855 -2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.709 9.140 0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.227 9.765 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 33 9.037 10.849 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.975 11.264 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.228 11.328 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.090 9.894 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.011 9.794 -3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.050 8.367 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.830 8.785 -1.869 1.00 0.00 H new ATOM 488 N LYS A 34 11.317 6.653 0.787 1.00 0.00 N ATOM 489 CA LYS A 34 12.214 6.075 1.781 1.00 0.00 C ATOM 490 C LYS A 34 12.793 4.752 1.288 1.00 0.00 C ATOM 491 O LYS A 34 13.934 4.409 1.597 1.00 0.00 O ATOM 492 CB LYS A 34 11.473 5.858 3.102 1.00 0.00 C ATOM 493 CG LYS A 34 12.275 5.076 4.128 1.00 0.00 C ATOM 494 CD LYS A 34 11.370 4.391 5.139 1.00 0.00 C ATOM 495 CE LYS A 34 11.096 5.285 6.338 1.00 0.00 C ATOM 496 NZ LYS A 34 12.263 5.350 7.260 1.00 0.00 N ATOM 0 H LYS A 34 10.326 6.554 1.006 1.00 0.00 H new ATOM 0 HA LYS A 34 13.035 6.774 1.942 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.207 6.828 3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.540 5.330 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.886 4.329 3.621 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.958 5.749 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.428 4.122 4.662 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.834 3.463 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.849 6.289 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.227 4.911 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.988 5.841 8.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.579 4.386 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.039 5.869 6.802 1.00 0.00 H new ATOM 510 N PHE A 35 11.999 4.015 0.518 1.00 0.00 N ATOM 511 CA PHE A 35 12.433 2.730 -0.018 1.00 0.00 C ATOM 512 C PHE A 35 12.685 2.825 -1.520 1.00 0.00 C ATOM 513 O PHE A 35 12.616 1.826 -2.237 1.00 0.00 O ATOM 514 CB PHE A 35 11.385 1.653 0.268 1.00 0.00 C ATOM 515 CG PHE A 35 11.096 1.472 1.731 1.00 0.00 C ATOM 516 CD1 PHE A 35 12.032 0.889 2.568 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.887 1.884 2.267 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.770 0.720 3.915 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.618 1.719 3.613 1.00 0.00 C ATOM 520 CZ PHE A 35 10.560 1.135 4.438 1.00 0.00 C ATOM 0 H PHE A 35 11.052 4.285 0.251 1.00 0.00 H new ATOM 0 HA PHE A 35 13.367 2.457 0.473 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.460 1.911 -0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.727 0.705 -0.147 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.979 0.562 2.164 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.146 2.339 1.626 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.509 0.265 4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.672 2.046 4.019 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.351 1.003 5.489 1.00 0.00 H new ATOM 530 N HIS A 36 12.976 4.034 -1.991 1.00 0.00 N ATOM 531 CA HIS A 36 13.237 4.260 -3.407 1.00 0.00 C ATOM 532 C HIS A 36 14.658 3.839 -3.772 1.00 0.00 C ATOM 533 O HIS A 36 15.607 4.052 -3.018 1.00 0.00 O ATOM 534 CB HIS A 36 13.024 5.733 -3.758 1.00 0.00 C ATOM 535 CG HIS A 36 12.565 5.954 -5.167 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.415 6.331 -6.185 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.337 5.845 -5.725 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.730 6.448 -7.307 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.466 6.158 -7.056 1.00 0.00 N ATOM 0 H HIS A 36 13.037 4.872 -1.412 1.00 0.00 H new ATOM 0 HA HIS A 36 12.538 3.652 -3.981 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.289 6.158 -3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.957 6.274 -3.600 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.426 5.564 -5.218 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.134 6.733 -8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.709 6.165 -7.740 1.00 0.00 H new ATOM 547 N PRO A 37 14.808 3.225 -4.955 1.00 0.00 N ATOM 548 CA PRO A 37 16.109 2.760 -5.446 1.00 0.00 C ATOM 549 C PRO A 37 17.035 3.914 -5.816 1.00 0.00 C ATOM 550 O PRO A 37 18.254 3.751 -5.873 1.00 0.00 O ATOM 551 CB PRO A 37 15.748 1.944 -6.689 1.00 0.00 C ATOM 552 CG PRO A 37 14.448 2.508 -7.148 1.00 0.00 C ATOM 553 CD PRO A 37 13.720 2.937 -5.905 1.00 0.00 C ATOM 0 HA PRO A 37 16.651 2.192 -4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.514 2.036 -7.459 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.659 0.883 -6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.604 3.352 -7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.873 1.764 -7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.101 3.816 -6.085 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.060 2.152 -5.535 1.00 0.00 H new ATOM 561 N ASP A 38 16.448 5.080 -6.067 1.00 0.00 N ATOM 562 CA ASP A 38 17.221 6.262 -6.430 1.00 0.00 C ATOM 563 C ASP A 38 17.515 7.118 -5.202 1.00 0.00 C ATOM 564 O ASP A 38 18.456 7.912 -5.196 1.00 0.00 O ATOM 565 CB ASP A 38 16.469 7.087 -7.475 1.00 0.00 C ATOM 566 CG ASP A 38 16.248 6.325 -8.767 1.00 0.00 C ATOM 567 OD1 ASP A 38 17.184 5.628 -9.211 1.00 0.00 O ATOM 568 OD2 ASP A 38 15.140 6.425 -9.333 1.00 0.00 O ATOM 0 H ASP A 38 15.440 5.231 -6.026 1.00 0.00 H new ATOM 0 HA ASP A 38 18.169 5.930 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.505 7.392 -7.067 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.029 7.998 -7.686 1.00 0.00 H new ATOM 573 N LYS A 39 16.702 6.952 -4.164 1.00 0.00 N ATOM 574 CA LYS A 39 16.874 7.709 -2.929 1.00 0.00 C ATOM 575 C LYS A 39 17.777 6.961 -1.954 1.00 0.00 C ATOM 576 O LYS A 39 18.778 7.499 -1.483 1.00 0.00 O ATOM 577 CB LYS A 39 15.515 7.978 -2.279 1.00 0.00 C ATOM 578 CG LYS A 39 14.544 8.718 -3.182 1.00 0.00 C ATOM 579 CD LYS A 39 14.669 10.224 -3.019 1.00 0.00 C ATOM 580 CE LYS A 39 14.136 10.962 -4.238 1.00 0.00 C ATOM 581 NZ LYS A 39 15.017 10.781 -5.425 1.00 0.00 N ATOM 0 H LYS A 39 15.918 6.300 -4.153 1.00 0.00 H new ATOM 0 HA LYS A 39 17.346 8.660 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.070 7.029 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.666 8.558 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.732 8.447 -4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.524 8.409 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.122 10.542 -2.132 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.714 10.489 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.134 10.602 -4.471 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.048 12.024 -4.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.807 11.518 -6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.012 10.855 -5.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.848 9.844 -5.843 1.00 0.00 H new ATOM 595 N ASN A 40 17.417 5.716 -1.656 1.00 0.00 N ATOM 596 CA ASN A 40 18.196 4.894 -0.738 1.00 0.00 C ATOM 597 C ASN A 40 19.524 4.484 -1.367 1.00 0.00 C ATOM 598 O ASN A 40 19.632 4.355 -2.587 1.00 0.00 O ATOM 599 CB ASN A 40 17.403 3.649 -0.337 1.00 0.00 C ATOM 600 CG ASN A 40 17.755 3.163 1.056 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.902 3.269 1.491 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.766 2.627 1.763 1.00 0.00 N ATOM 0 H ASN A 40 16.591 5.255 -2.037 1.00 0.00 H new ATOM 0 HA ASN A 40 18.404 5.487 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.337 3.870 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.594 2.852 -1.056 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.942 2.283 2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.831 2.560 1.362 1.00 0.00 H new ATOM 609 N HIS A 41 20.534 4.281 -0.526 1.00 0.00 N ATOM 610 CA HIS A 41 21.855 3.884 -1.000 1.00 0.00 C ATOM 611 C HIS A 41 22.078 2.388 -0.797 1.00 0.00 C ATOM 612 O HIS A 41 22.606 1.705 -1.674 1.00 0.00 O ATOM 613 CB HIS A 41 22.940 4.677 -0.271 1.00 0.00 C ATOM 614 CG HIS A 41 22.668 4.862 1.190 1.00 0.00 C ATOM 615 ND1 HIS A 41 22.887 3.875 2.127 1.00 0.00 N ATOM 616 CD2 HIS A 41 22.193 5.929 1.874 1.00 0.00 C ATOM 617 CE1 HIS A 41 22.557 4.326 3.324 1.00 0.00 C ATOM 618 NE2 HIS A 41 22.134 5.570 3.198 1.00 0.00 N ATOM 0 H HIS A 41 20.463 4.385 0.486 1.00 0.00 H new ATOM 0 HA HIS A 41 21.912 4.100 -2.067 1.00 0.00 H new ATOM 0 HB2 HIS A 41 23.895 4.166 -0.392 1.00 0.00 H new ATOM 0 HB3 HIS A 41 23.040 5.656 -0.740 1.00 0.00 H new ATOM 0 HD2 HIS A 41 21.913 6.885 1.456 1.00 0.00 H new ATOM 0 HE1 HIS A 41 22.622 3.771 4.248 1.00 0.00 H new ATOM 0 HE2 HIS A 41 21.815 6.168 3.961 1.00 0.00 H new ATOM 626 N ALA A 42 21.674 1.887 0.365 1.00 0.00 N ATOM 627 CA ALA A 42 21.829 0.472 0.682 1.00 0.00 C ATOM 628 C ALA A 42 20.704 -0.354 0.068 1.00 0.00 C ATOM 629 O ALA A 42 19.554 0.079 -0.010 1.00 0.00 O ATOM 630 CB ALA A 42 21.871 0.271 2.190 1.00 0.00 C ATOM 0 H ALA A 42 21.237 2.439 1.103 1.00 0.00 H new ATOM 0 HA ALA A 42 22.771 0.130 0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 42 21.987 -0.790 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.713 0.824 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.943 0.635 2.632 1.00 0.00 H new ATOM 636 N PRO A 43 21.041 -1.573 -0.380 1.00 0.00 N ATOM 637 CA PRO A 43 20.073 -2.485 -0.996 1.00 0.00 C ATOM 638 C PRO A 43 19.065 -3.027 0.012 1.00 0.00 C ATOM 639 O PRO A 43 19.166 -2.762 1.209 1.00 0.00 O ATOM 640 CB PRO A 43 20.949 -3.618 -1.538 1.00 0.00 C ATOM 641 CG PRO A 43 22.169 -3.595 -0.684 1.00 0.00 C ATOM 642 CD PRO A 43 22.393 -2.154 -0.319 1.00 0.00 C ATOM 0 HA PRO A 43 19.473 -1.989 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 43 20.438 -4.579 -1.473 1.00 0.00 H new ATOM 0 HB3 PRO A 43 21.197 -3.459 -2.587 1.00 0.00 H new ATOM 0 HG2 PRO A 43 22.032 -4.207 0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 43 23.028 -4.000 -1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.829 -2.054 0.675 1.00 0.00 H new ATOM 0 HD3 PRO A 43 23.073 -1.664 -1.016 1.00 0.00 H new ATOM 650 N GLY A 44 18.093 -3.788 -0.482 1.00 0.00 N ATOM 651 CA GLY A 44 17.080 -4.355 0.390 1.00 0.00 C ATOM 652 C GLY A 44 15.865 -3.460 0.526 1.00 0.00 C ATOM 653 O GLY A 44 14.757 -3.845 0.154 1.00 0.00 O ATOM 0 H GLY A 44 17.989 -4.022 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.771 -5.325 0.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.511 -4.530 1.376 1.00 0.00 H new ATOM 657 N ALA A 45 16.072 -2.262 1.063 1.00 0.00 N ATOM 658 CA ALA A 45 14.984 -1.309 1.247 1.00 0.00 C ATOM 659 C ALA A 45 14.117 -1.217 -0.004 1.00 0.00 C ATOM 660 O ALA A 45 12.891 -1.149 0.080 1.00 0.00 O ATOM 661 CB ALA A 45 15.538 0.060 1.610 1.00 0.00 C ATOM 0 H ALA A 45 16.983 -1.928 1.378 1.00 0.00 H new ATOM 0 HA ALA A 45 14.358 -1.664 2.065 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.715 0.762 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.108 -0.012 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.189 0.413 0.810 1.00 0.00 H new ATOM 667 N THR A 46 14.763 -1.214 -1.167 1.00 0.00 N ATOM 668 CA THR A 46 14.051 -1.127 -2.436 1.00 0.00 C ATOM 669 C THR A 46 13.057 -2.273 -2.588 1.00 0.00 C ATOM 670 O THR A 46 11.903 -2.060 -2.957 1.00 0.00 O ATOM 671 CB THR A 46 15.025 -1.146 -3.628 1.00 0.00 C ATOM 672 OG1 THR A 46 16.211 -0.411 -3.305 1.00 0.00 O ATOM 673 CG2 THR A 46 14.375 -0.550 -4.868 1.00 0.00 C ATOM 0 H THR A 46 15.778 -1.271 -1.256 1.00 0.00 H new ATOM 0 HA THR A 46 13.512 -0.180 -2.432 1.00 0.00 H new ATOM 0 HB THR A 46 15.287 -2.183 -3.837 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.826 -0.430 -4.068 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.082 -0.574 -5.697 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.490 -1.130 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.087 0.482 -4.667 1.00 0.00 H new ATOM 681 N GLU A 47 13.513 -3.488 -2.299 1.00 0.00 N ATOM 682 CA GLU A 47 12.662 -4.667 -2.405 1.00 0.00 C ATOM 683 C GLU A 47 11.324 -4.437 -1.707 1.00 0.00 C ATOM 684 O GLU A 47 10.315 -5.046 -2.060 1.00 0.00 O ATOM 685 CB GLU A 47 13.363 -5.885 -1.799 1.00 0.00 C ATOM 686 CG GLU A 47 14.605 -6.314 -2.561 1.00 0.00 C ATOM 687 CD GLU A 47 15.304 -7.497 -1.920 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.631 -8.519 -1.671 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.523 -7.401 -1.666 1.00 0.00 O ATOM 0 H GLU A 47 14.466 -3.681 -1.990 1.00 0.00 H new ATOM 0 HA GLU A 47 12.473 -4.854 -3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.639 -5.660 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.661 -6.718 -1.766 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.328 -6.571 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.299 -5.475 -2.619 1.00 0.00 H new ATOM 696 N ALA A 48 11.326 -3.555 -0.713 1.00 0.00 N ATOM 697 CA ALA A 48 10.114 -3.243 0.034 1.00 0.00 C ATOM 698 C ALA A 48 9.209 -2.303 -0.756 1.00 0.00 C ATOM 699 O ALA A 48 7.998 -2.512 -0.834 1.00 0.00 O ATOM 700 CB ALA A 48 10.467 -2.629 1.381 1.00 0.00 C ATOM 0 H ALA A 48 12.154 -3.044 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 48 9.571 -4.173 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.552 -2.401 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.067 -3.334 1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.035 -1.712 1.225 1.00 0.00 H new ATOM 706 N PHE A 49 9.804 -1.268 -1.340 1.00 0.00 N ATOM 707 CA PHE A 49 9.050 -0.296 -2.123 1.00 0.00 C ATOM 708 C PHE A 49 8.059 -0.994 -3.050 1.00 0.00 C ATOM 709 O PHE A 49 6.924 -0.546 -3.215 1.00 0.00 O ATOM 710 CB PHE A 49 10.002 0.579 -2.942 1.00 0.00 C ATOM 711 CG PHE A 49 9.319 1.346 -4.038 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.190 2.103 -3.771 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.805 1.308 -5.335 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.558 2.810 -4.777 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.179 2.014 -6.345 1.00 0.00 C ATOM 716 CZ PHE A 49 8.053 2.764 -6.066 1.00 0.00 C ATOM 0 H PHE A 49 10.805 -1.081 -1.286 1.00 0.00 H new ATOM 0 HA PHE A 49 8.491 0.335 -1.432 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.501 1.282 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.777 -0.051 -3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.799 2.141 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.683 0.720 -5.559 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.679 3.397 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.570 1.979 -7.351 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.560 3.314 -6.854 1.00 0.00 H new ATOM 726 N LYS A 50 8.496 -2.094 -3.653 1.00 0.00 N ATOM 727 CA LYS A 50 7.650 -2.856 -4.563 1.00 0.00 C ATOM 728 C LYS A 50 6.342 -3.254 -3.885 1.00 0.00 C ATOM 729 O LYS A 50 5.260 -2.877 -4.333 1.00 0.00 O ATOM 730 CB LYS A 50 8.385 -4.107 -5.049 1.00 0.00 C ATOM 731 CG LYS A 50 9.289 -3.855 -6.243 1.00 0.00 C ATOM 732 CD LYS A 50 8.534 -3.995 -7.554 1.00 0.00 C ATOM 733 CE LYS A 50 8.299 -5.455 -7.910 1.00 0.00 C ATOM 734 NZ LYS A 50 9.448 -6.033 -8.662 1.00 0.00 N ATOM 0 H LYS A 50 9.433 -2.478 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 50 7.418 -2.223 -5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.982 -4.509 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.652 -4.869 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.715 -2.854 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.122 -4.558 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.577 -3.479 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.097 -3.511 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.135 -6.030 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.392 -5.542 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.250 -7.029 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.589 -5.501 -9.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.308 -5.973 -8.081 1.00 0.00 H new ATOM 748 N ALA A 51 6.450 -4.016 -2.801 1.00 0.00 N ATOM 749 CA ALA A 51 5.277 -4.461 -2.060 1.00 0.00 C ATOM 750 C ALA A 51 4.314 -3.305 -1.811 1.00 0.00 C ATOM 751 O ALA A 51 3.096 -3.471 -1.894 1.00 0.00 O ATOM 752 CB ALA A 51 5.695 -5.095 -0.741 1.00 0.00 C ATOM 0 H ALA A 51 7.338 -4.338 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 51 4.759 -5.208 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.809 -5.423 -0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.338 -5.953 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.238 -4.364 -0.142 1.00 0.00 H new ATOM 758 N ILE A 52 4.866 -2.136 -1.506 1.00 0.00 N ATOM 759 CA ILE A 52 4.055 -0.953 -1.246 1.00 0.00 C ATOM 760 C ILE A 52 3.136 -0.647 -2.424 1.00 0.00 C ATOM 761 O ILE A 52 1.913 -0.688 -2.298 1.00 0.00 O ATOM 762 CB ILE A 52 4.933 0.280 -0.960 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.123 -0.108 -0.080 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.110 1.373 -0.296 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.809 1.077 0.564 1.00 0.00 C ATOM 0 H ILE A 52 5.872 -1.982 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 52 3.452 -1.171 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 52 5.315 0.664 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.781 -0.788 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.848 -0.654 -0.683 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.744 2.238 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.293 1.664 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.703 1.001 0.644 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.643 0.728 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.181 1.747 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.098 1.611 1.194 1.00 0.00 H new ATOM 777 N GLY A 53 3.736 -0.340 -3.571 1.00 0.00 N ATOM 778 CA GLY A 53 2.956 -0.033 -4.756 1.00 0.00 C ATOM 779 C GLY A 53 1.749 -0.936 -4.906 1.00 0.00 C ATOM 780 O GLY A 53 0.647 -0.470 -5.197 1.00 0.00 O ATOM 0 H GLY A 53 4.747 -0.299 -3.700 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.626 1.005 -4.711 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.589 -0.128 -5.638 1.00 0.00 H new ATOM 784 N THR A 54 1.955 -2.235 -4.709 1.00 0.00 N ATOM 785 CA THR A 54 0.876 -3.207 -4.828 1.00 0.00 C ATOM 786 C THR A 54 -0.342 -2.777 -4.018 1.00 0.00 C ATOM 787 O THR A 54 -1.441 -2.644 -4.556 1.00 0.00 O ATOM 788 CB THR A 54 1.324 -4.604 -4.357 1.00 0.00 C ATOM 789 OG1 THR A 54 2.495 -5.009 -5.073 1.00 0.00 O ATOM 790 CG2 THR A 54 0.216 -5.626 -4.566 1.00 0.00 C ATOM 0 H THR A 54 2.860 -2.638 -4.466 1.00 0.00 H new ATOM 0 HA THR A 54 0.609 -3.256 -5.884 1.00 0.00 H new ATOM 0 HB THR A 54 1.550 -4.550 -3.292 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.775 -5.897 -4.767 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.555 -6.605 -4.226 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.665 -5.329 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.037 -5.677 -5.625 1.00 0.00 H new ATOM 798 N ALA A 55 -0.139 -2.560 -2.723 1.00 0.00 N ATOM 799 CA ALA A 55 -1.221 -2.142 -1.840 1.00 0.00 C ATOM 800 C ALA A 55 -1.919 -0.897 -2.378 1.00 0.00 C ATOM 801 O ALA A 55 -3.113 -0.925 -2.679 1.00 0.00 O ATOM 802 CB ALA A 55 -0.689 -1.886 -0.437 1.00 0.00 C ATOM 0 H ALA A 55 0.765 -2.667 -2.262 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.954 -2.948 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.508 -1.575 0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.243 -2.800 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.065 -1.100 -0.472 1.00 0.00 H new ATOM 808 N TYR A 56 -1.168 0.192 -2.495 1.00 0.00 N ATOM 809 CA TYR A 56 -1.716 1.448 -2.994 1.00 0.00 C ATOM 810 C TYR A 56 -2.531 1.221 -4.263 1.00 0.00 C ATOM 811 O TYR A 56 -3.688 1.630 -4.353 1.00 0.00 O ATOM 812 CB TYR A 56 -0.590 2.446 -3.269 1.00 0.00 C ATOM 813 CG TYR A 56 -1.076 3.773 -3.807 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.609 4.736 -2.959 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.001 4.064 -5.164 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.054 5.949 -3.447 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.442 5.275 -5.660 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.969 6.214 -4.798 1.00 0.00 C ATOM 819 OH TYR A 56 -2.410 7.422 -5.288 1.00 0.00 O ATOM 0 H TYR A 56 -0.178 0.231 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.376 1.857 -2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.035 2.618 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.107 2.007 -3.983 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.676 4.533 -1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.591 3.330 -5.842 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.466 6.686 -2.774 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.375 5.486 -6.717 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.278 7.449 -6.259 1.00 0.00 H new ATOM 829 N ALA A 57 -1.918 0.564 -5.243 1.00 0.00 N ATOM 830 CA ALA A 57 -2.586 0.279 -6.506 1.00 0.00 C ATOM 831 C ALA A 57 -3.992 -0.263 -6.274 1.00 0.00 C ATOM 832 O ALA A 57 -4.934 0.106 -6.976 1.00 0.00 O ATOM 833 CB ALA A 57 -1.766 -0.707 -7.326 1.00 0.00 C ATOM 0 H ALA A 57 -0.960 0.219 -5.186 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.673 1.213 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.277 -0.911 -8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.784 -0.281 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.649 -1.636 -6.768 1.00 0.00 H new ATOM 839 N VAL A 58 -4.127 -1.140 -5.285 1.00 0.00 N ATOM 840 CA VAL A 58 -5.419 -1.733 -4.960 1.00 0.00 C ATOM 841 C VAL A 58 -6.325 -0.727 -4.261 1.00 0.00 C ATOM 842 O VAL A 58 -7.356 -0.322 -4.800 1.00 0.00 O ATOM 843 CB VAL A 58 -5.257 -2.973 -4.061 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.617 -3.552 -3.699 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.390 -4.018 -4.747 1.00 0.00 C ATOM 0 H VAL A 58 -3.358 -1.456 -4.695 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.875 -2.034 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.761 -2.670 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.482 -4.427 -3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.201 -2.802 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.143 -3.842 -4.609 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.286 -4.887 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.857 -4.319 -5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.405 -3.597 -4.950 1.00 0.00 H new ATOM 855 N LEU A 59 -5.934 -0.325 -3.056 1.00 0.00 N ATOM 856 CA LEU A 59 -6.711 0.637 -2.281 1.00 0.00 C ATOM 857 C LEU A 59 -6.953 1.913 -3.081 1.00 0.00 C ATOM 858 O LEU A 59 -8.096 2.289 -3.338 1.00 0.00 O ATOM 859 CB LEU A 59 -5.990 0.969 -0.974 1.00 0.00 C ATOM 860 CG LEU A 59 -5.655 -0.218 -0.071 1.00 0.00 C ATOM 861 CD1 LEU A 59 -4.869 0.242 1.147 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.926 -0.940 0.354 1.00 0.00 C ATOM 0 H LEU A 59 -5.084 -0.650 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.677 0.186 -2.052 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.063 1.489 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.608 1.667 -0.409 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.036 -0.915 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.640 -0.617 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.941 0.713 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.462 0.960 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.669 -1.782 0.996 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.571 -0.251 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.450 -1.304 -0.529 1.00 0.00 H new ATOM 874 N SER A 60 -5.868 2.574 -3.473 1.00 0.00 N ATOM 875 CA SER A 60 -5.962 3.809 -4.243 1.00 0.00 C ATOM 876 C SER A 60 -7.132 3.752 -5.220 1.00 0.00 C ATOM 877 O SER A 60 -7.783 4.761 -5.485 1.00 0.00 O ATOM 878 CB SER A 60 -4.659 4.061 -5.003 1.00 0.00 C ATOM 879 OG SER A 60 -4.550 3.203 -6.126 1.00 0.00 O ATOM 0 H SER A 60 -4.914 2.275 -3.270 1.00 0.00 H new ATOM 0 HA SER A 60 -6.133 4.630 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.620 5.100 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.810 3.904 -4.338 1.00 0.00 H new ATOM 0 HG SER A 60 -4.091 2.378 -5.864 1.00 0.00 H new ATOM 885 N ASN A 61 -7.393 2.562 -5.753 1.00 0.00 N ATOM 886 CA ASN A 61 -8.484 2.372 -6.702 1.00 0.00 C ATOM 887 C ASN A 61 -9.771 1.985 -5.981 1.00 0.00 C ATOM 888 O ASN A 61 -9.765 1.222 -5.014 1.00 0.00 O ATOM 889 CB ASN A 61 -8.116 1.296 -7.725 1.00 0.00 C ATOM 890 CG ASN A 61 -8.764 1.536 -9.075 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.447 2.505 -9.765 1.00 0.00 O ATOM 892 ND2 ASN A 61 -9.678 0.652 -9.458 1.00 0.00 N ATOM 0 H ASN A 61 -6.864 1.715 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.649 3.316 -7.221 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.033 1.268 -7.845 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.421 0.320 -7.347 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.148 0.761 -10.356 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.910 -0.136 -8.854 1.00 0.00 H new ATOM 899 N PRO A 62 -10.903 2.521 -6.461 1.00 0.00 N ATOM 900 CA PRO A 62 -12.219 2.245 -5.877 1.00 0.00 C ATOM 901 C PRO A 62 -12.676 0.812 -6.130 1.00 0.00 C ATOM 902 O PRO A 62 -13.170 0.141 -5.224 1.00 0.00 O ATOM 903 CB PRO A 62 -13.140 3.234 -6.596 1.00 0.00 C ATOM 904 CG PRO A 62 -12.460 3.512 -7.892 1.00 0.00 C ATOM 905 CD PRO A 62 -10.985 3.439 -7.610 1.00 0.00 C ATOM 0 HA PRO A 62 -12.215 2.355 -4.793 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.132 2.809 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.272 4.146 -6.015 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.749 2.783 -8.649 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.736 4.495 -8.275 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.430 3.060 -8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.572 4.419 -7.372 1.00 0.00 H new ATOM 913 N GLU A 63 -12.507 0.351 -7.365 1.00 0.00 N ATOM 914 CA GLU A 63 -12.903 -1.003 -7.735 1.00 0.00 C ATOM 915 C GLU A 63 -12.119 -2.037 -6.931 1.00 0.00 C ATOM 916 O GLU A 63 -12.696 -2.825 -6.181 1.00 0.00 O ATOM 917 CB GLU A 63 -12.684 -1.231 -9.232 1.00 0.00 C ATOM 918 CG GLU A 63 -13.781 -0.644 -10.104 1.00 0.00 C ATOM 919 CD GLU A 63 -13.583 -0.951 -11.575 1.00 0.00 C ATOM 920 OE1 GLU A 63 -13.751 -2.125 -11.965 1.00 0.00 O ATOM 921 OE2 GLU A 63 -13.260 -0.016 -12.338 1.00 0.00 O ATOM 0 H GLU A 63 -12.099 0.894 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.963 -1.119 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.728 -0.794 -9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.615 -2.302 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.745 -1.036 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.813 0.436 -9.963 1.00 0.00 H new ATOM 928 N LYS A 64 -10.801 -2.030 -7.095 1.00 0.00 N ATOM 929 CA LYS A 64 -9.936 -2.965 -6.385 1.00 0.00 C ATOM 930 C LYS A 64 -10.149 -2.868 -4.878 1.00 0.00 C ATOM 931 O LYS A 64 -10.009 -3.856 -4.157 1.00 0.00 O ATOM 932 CB LYS A 64 -8.469 -2.691 -6.722 1.00 0.00 C ATOM 933 CG LYS A 64 -8.145 -2.841 -8.199 1.00 0.00 C ATOM 934 CD LYS A 64 -6.652 -3.001 -8.429 1.00 0.00 C ATOM 935 CE LYS A 64 -6.357 -3.550 -9.816 1.00 0.00 C ATOM 936 NZ LYS A 64 -4.958 -4.047 -9.931 1.00 0.00 N ATOM 0 H LYS A 64 -10.308 -1.387 -7.714 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.194 -3.974 -6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.215 -1.680 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.840 -3.373 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.671 -3.707 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.506 -1.968 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.159 -2.037 -8.306 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.237 -3.670 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.050 -4.361 -10.040 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.527 -2.771 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.797 -4.413 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.296 -3.267 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.802 -4.808 -9.240 1.00 0.00 H new ATOM 950 N ARG A 65 -10.491 -1.672 -4.409 1.00 0.00 N ATOM 951 CA ARG A 65 -10.724 -1.447 -2.988 1.00 0.00 C ATOM 952 C ARG A 65 -12.013 -2.126 -2.534 1.00 0.00 C ATOM 953 O ARG A 65 -12.070 -2.716 -1.455 1.00 0.00 O ATOM 954 CB ARG A 65 -10.792 0.052 -2.692 1.00 0.00 C ATOM 955 CG ARG A 65 -11.153 0.373 -1.251 1.00 0.00 C ATOM 956 CD ARG A 65 -11.447 1.853 -1.066 1.00 0.00 C ATOM 957 NE ARG A 65 -11.740 2.183 0.326 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.196 3.367 0.721 1.00 0.00 C ATOM 959 NH1 ARG A 65 -12.410 4.328 -0.168 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.439 3.591 2.006 1.00 0.00 N ATOM 0 H ARG A 65 -10.613 -0.844 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.891 -1.882 -2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.828 0.504 -2.925 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.527 0.511 -3.353 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.024 -0.212 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.333 0.079 -0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.592 2.438 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.294 2.135 -1.691 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.586 1.465 1.034 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.225 4.159 -1.157 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.760 5.236 0.137 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.276 2.854 2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.789 4.500 2.308 1.00 0.00 H new ATOM 974 N LYS A 66 -13.046 -2.037 -3.365 1.00 0.00 N ATOM 975 CA LYS A 66 -14.335 -2.643 -3.051 1.00 0.00 C ATOM 976 C LYS A 66 -14.157 -4.072 -2.550 1.00 0.00 C ATOM 977 O LYS A 66 -14.484 -4.383 -1.405 1.00 0.00 O ATOM 978 CB LYS A 66 -15.240 -2.632 -4.284 1.00 0.00 C ATOM 979 CG LYS A 66 -15.856 -1.275 -4.576 1.00 0.00 C ATOM 980 CD LYS A 66 -17.212 -1.411 -5.249 1.00 0.00 C ATOM 981 CE LYS A 66 -17.079 -1.475 -6.762 1.00 0.00 C ATOM 982 NZ LYS A 66 -16.642 -0.173 -7.337 1.00 0.00 N ATOM 0 H LYS A 66 -13.016 -1.551 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.802 -2.056 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.662 -2.953 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.038 -3.361 -4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.965 -0.716 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.187 -0.701 -5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.710 -2.311 -4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.843 -0.566 -4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -16.361 -2.250 -7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.036 -1.762 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.694 -0.217 -8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.264 0.585 -6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.663 0.023 -7.047 1.00 0.00 H new ATOM 996 N GLN A 67 -13.635 -4.937 -3.414 1.00 0.00 N ATOM 997 CA GLN A 67 -13.413 -6.333 -3.057 1.00 0.00 C ATOM 998 C GLN A 67 -12.556 -6.444 -1.801 1.00 0.00 C ATOM 999 O GLN A 67 -12.772 -7.322 -0.965 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.743 -7.077 -4.214 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.333 -6.595 -4.511 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.748 -7.234 -5.755 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.110 -6.880 -6.878 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.836 -8.180 -5.563 1.00 0.00 N ATOM 0 H GLN A 67 -13.358 -4.696 -4.366 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.382 -6.789 -2.854 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.713 -8.142 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.353 -6.964 -5.110 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.342 -5.512 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.691 -6.815 -3.658 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.565 -8.443 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.406 -8.644 -6.363 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.582 -5.550 -1.674 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.690 -5.550 -0.521 1.00 0.00 C ATOM 1015 C TYR A 68 -11.432 -5.125 0.742 1.00 0.00 C ATOM 1016 O TYR A 68 -11.050 -5.492 1.853 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.504 -4.616 -0.768 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.520 -4.571 0.379 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.733 -5.674 0.688 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.377 -3.426 1.154 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.833 -5.638 1.736 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.478 -3.381 2.202 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.709 -4.489 2.489 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.813 -4.449 3.533 1.00 0.00 O ATOM 0 H TYR A 68 -11.390 -4.816 -2.356 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.321 -6.566 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.983 -4.935 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.878 -3.609 -0.955 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.826 -6.574 0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.979 -2.557 0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.230 -6.505 1.964 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.378 -2.483 2.793 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.258 -4.098 4.332 1.00 0.00 H new ATOM 1034 N ASP A 69 -12.495 -4.349 0.562 1.00 0.00 N ATOM 1035 CA ASP A 69 -13.294 -3.874 1.686 1.00 0.00 C ATOM 1036 C ASP A 69 -14.321 -4.922 2.105 1.00 0.00 C ATOM 1037 O ASP A 69 -14.521 -5.167 3.294 1.00 0.00 O ATOM 1038 CB ASP A 69 -14.001 -2.567 1.321 1.00 0.00 C ATOM 1039 CG ASP A 69 -13.139 -1.349 1.588 1.00 0.00 C ATOM 1040 OD1 ASP A 69 -11.927 -1.404 1.292 1.00 0.00 O ATOM 1041 OD2 ASP A 69 -13.676 -0.341 2.093 1.00 0.00 O ATOM 0 H ASP A 69 -12.824 -4.035 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.623 -3.693 2.526 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -14.278 -2.589 0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.926 -2.486 1.892 1.00 0.00 H new ATOM 1046 N GLN A 70 -14.968 -5.536 1.119 1.00 0.00 N ATOM 1047 CA GLN A 70 -15.975 -6.556 1.386 1.00 0.00 C ATOM 1048 C GLN A 70 -15.344 -7.790 2.024 1.00 0.00 C ATOM 1049 O GLN A 70 -15.758 -8.227 3.097 1.00 0.00 O ATOM 1050 CB GLN A 70 -16.692 -6.946 0.093 1.00 0.00 C ATOM 1051 CG GLN A 70 -17.752 -5.946 -0.340 1.00 0.00 C ATOM 1052 CD GLN A 70 -18.941 -5.912 0.600 1.00 0.00 C ATOM 1053 OE1 GLN A 70 -19.750 -6.839 0.629 1.00 0.00 O ATOM 1054 NE2 GLN A 70 -19.052 -4.840 1.375 1.00 0.00 N ATOM 0 H GLN A 70 -14.813 -5.345 0.129 1.00 0.00 H new ATOM 0 HA GLN A 70 -16.701 -6.140 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -15.956 -7.050 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -17.158 -7.922 0.226 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -17.308 -4.952 -0.394 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -18.094 -6.197 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.358 -4.095 1.318 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -19.832 -4.761 2.028 1.00 0.00 H new ATOM 1063 N PHE A 71 -14.339 -8.347 1.355 1.00 0.00 N ATOM 1064 CA PHE A 71 -13.652 -9.532 1.855 1.00 0.00 C ATOM 1065 C PHE A 71 -12.269 -9.172 2.390 1.00 0.00 C ATOM 1066 O PHE A 71 -12.009 -9.273 3.589 1.00 0.00 O ATOM 1067 CB PHE A 71 -13.527 -10.580 0.748 1.00 0.00 C ATOM 1068 CG PHE A 71 -14.845 -10.981 0.150 1.00 0.00 C ATOM 1069 CD1 PHE A 71 -15.414 -10.235 -0.868 1.00 0.00 C ATOM 1070 CD2 PHE A 71 -15.515 -12.105 0.607 1.00 0.00 C ATOM 1071 CE1 PHE A 71 -16.627 -10.601 -1.421 1.00 0.00 C ATOM 1072 CE2 PHE A 71 -16.727 -12.476 0.058 1.00 0.00 C ATOM 1073 CZ PHE A 71 -17.285 -11.723 -0.956 1.00 0.00 C ATOM 0 H PHE A 71 -13.983 -7.997 0.466 1.00 0.00 H new ATOM 0 HA PHE A 71 -14.242 -9.947 2.672 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -12.883 -10.189 -0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -13.036 -11.466 1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.904 -9.356 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -15.085 -12.697 1.401 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -17.059 -10.011 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -17.238 -13.355 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 71 -18.234 -12.011 -1.385 1.00 0.00 H new ATOM 1083 N GLY A 72 -11.384 -8.753 1.491 1.00 0.00 N ATOM 1084 CA GLY A 72 -10.038 -8.386 1.891 1.00 0.00 C ATOM 1085 C GLY A 72 -9.006 -9.410 1.462 1.00 0.00 C ATOM 1086 O GLY A 72 -9.316 -10.339 0.717 1.00 0.00 O ATOM 0 H GLY A 72 -11.575 -8.661 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.785 -7.417 1.459 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.003 -8.271 2.974 1.00 0.00 H new ATOM 1090 N SER A 73 -7.774 -9.239 1.931 1.00 0.00 N ATOM 1091 CA SER A 73 -6.691 -10.153 1.587 1.00 0.00 C ATOM 1092 C SER A 73 -6.477 -11.183 2.692 1.00 0.00 C ATOM 1093 O SER A 73 -7.064 -11.085 3.769 1.00 0.00 O ATOM 1094 CB SER A 73 -5.397 -9.375 1.341 1.00 0.00 C ATOM 1095 OG SER A 73 -5.360 -8.849 0.026 1.00 0.00 O ATOM 0 H SER A 73 -7.501 -8.476 2.550 1.00 0.00 H new ATOM 0 HA SER A 73 -6.969 -10.679 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.314 -8.563 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.540 -10.030 1.498 1.00 0.00 H new ATOM 0 HG SER A 73 -4.899 -7.984 0.032 1.00 0.00 H new ATOM 1101 N GLY A 74 -5.630 -12.170 2.417 1.00 0.00 N ATOM 1102 CA GLY A 74 -5.353 -13.204 3.396 1.00 0.00 C ATOM 1103 C GLY A 74 -4.108 -14.002 3.061 1.00 0.00 C ATOM 1104 O GLY A 74 -3.234 -13.548 2.322 1.00 0.00 O ATOM 0 H GLY A 74 -5.131 -12.272 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.234 -12.747 4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.207 -13.878 3.459 1.00 0.00 H new ATOM 1108 N PRO A 75 -4.016 -15.222 3.612 1.00 0.00 N ATOM 1109 CA PRO A 75 -2.873 -16.110 3.382 1.00 0.00 C ATOM 1110 C PRO A 75 -2.832 -16.645 1.954 1.00 0.00 C ATOM 1111 O PRO A 75 -3.811 -16.543 1.215 1.00 0.00 O ATOM 1112 CB PRO A 75 -3.105 -17.251 4.374 1.00 0.00 C ATOM 1113 CG PRO A 75 -4.577 -17.260 4.604 1.00 0.00 C ATOM 1114 CD PRO A 75 -5.021 -15.827 4.502 1.00 0.00 C ATOM 0 HA PRO A 75 -1.923 -15.594 3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.762 -18.203 3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.560 -17.085 5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.084 -17.879 3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.816 -17.674 5.584 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.026 -15.746 4.087 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.039 -15.341 5.478 1.00 0.00 H new ATOM 1122 N SER A 76 -1.694 -17.215 1.573 1.00 0.00 N ATOM 1123 CA SER A 76 -1.525 -17.764 0.232 1.00 0.00 C ATOM 1124 C SER A 76 -2.054 -19.193 0.159 1.00 0.00 C ATOM 1125 O SER A 76 -1.821 -19.999 1.060 1.00 0.00 O ATOM 1126 CB SER A 76 -0.050 -17.732 -0.173 1.00 0.00 C ATOM 1127 OG SER A 76 0.105 -18.002 -1.555 1.00 0.00 O ATOM 0 H SER A 76 -0.875 -17.309 2.173 1.00 0.00 H new ATOM 0 HA SER A 76 -2.098 -17.148 -0.461 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.373 -16.755 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.506 -18.467 0.409 1.00 0.00 H new ATOM 0 HG SER A 76 1.056 -17.974 -1.789 1.00 0.00 H new ATOM 1133 N SER A 77 -2.767 -19.499 -0.919 1.00 0.00 N ATOM 1134 CA SER A 77 -3.333 -20.830 -1.110 1.00 0.00 C ATOM 1135 C SER A 77 -3.762 -21.035 -2.559 1.00 0.00 C ATOM 1136 O SER A 77 -4.200 -20.100 -3.228 1.00 0.00 O ATOM 1137 CB SER A 77 -4.529 -21.036 -0.178 1.00 0.00 C ATOM 1138 OG SER A 77 -5.452 -19.967 -0.289 1.00 0.00 O ATOM 0 H SER A 77 -2.967 -18.844 -1.674 1.00 0.00 H new ATOM 0 HA SER A 77 -2.563 -21.564 -0.870 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.025 -21.976 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.182 -21.115 0.852 1.00 0.00 H new ATOM 0 HG SER A 77 -6.208 -20.123 0.315 1.00 0.00 H new ATOM 1144 N GLY A 78 -3.631 -22.269 -3.039 1.00 0.00 N ATOM 1145 CA GLY A 78 -4.008 -22.577 -4.406 1.00 0.00 C ATOM 1146 C GLY A 78 -4.421 -24.025 -4.581 1.00 0.00 C ATOM 1147 O GLY A 78 -3.605 -24.933 -4.423 1.00 0.00 O ATOM 0 H GLY A 78 -3.271 -23.060 -2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.831 -21.929 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.171 -22.359 -5.069 1.00 0.00 H new TER 1151 GLY A 78