USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 604 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 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 25:sc= 0.285 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.285 K(o=-0.29,f=-4.1!) USER MOD Single : A 17 MET CE :methyl -123:sc= -0.422 (180deg=-1.98!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0817 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.756 X(o=-0.76,f=-1.1) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.4) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00461 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 144:sc= -0.165 (180deg=-0.801) USER MOD Single : A 63 HIS : no HE2:sc= -1.65 K(o=-1.7,f=-2.3!) USER MOD Single : A 69 SER OG : rot 19:sc= 0.865 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.0307 F(o=-0.58,f=-0.031) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN :FLIP amide:sc= -0.42 F(o=-1.3,f=-0.42) USER MOD Single : A 77 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.91) USER MOD Single : A 81 THR OG1 : rot 26:sc= 0.182 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -43.865 4.909 1.476 1.00 0.00 N ATOM 2 CA GLY A 1 -44.442 4.562 2.761 1.00 0.00 C ATOM 3 C GLY A 1 -44.125 3.140 3.175 1.00 0.00 C ATOM 4 O GLY A 1 -43.278 2.911 4.039 1.00 0.00 O ATOM 0 H1 GLY A 1 -44.111 5.891 1.239 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.831 4.813 1.523 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.239 4.272 0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -44.069 5.250 3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -45.523 4.691 2.717 1.00 0.00 H new ATOM 8 N SER A 2 -44.808 2.180 2.560 1.00 0.00 N ATOM 9 CA SER A 2 -44.598 0.771 2.872 1.00 0.00 C ATOM 10 C SER A 2 -43.168 0.349 2.549 1.00 0.00 C ATOM 11 O SER A 2 -42.441 1.061 1.856 1.00 0.00 O ATOM 12 CB SER A 2 -45.587 -0.099 2.095 1.00 0.00 C ATOM 13 OG SER A 2 -46.869 -0.079 2.698 1.00 0.00 O ATOM 0 H SER A 2 -45.512 2.352 1.842 1.00 0.00 H new ATOM 0 HA SER A 2 -44.766 0.633 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 2 -45.660 0.257 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.218 -1.124 2.052 1.00 0.00 H new ATOM 0 HG SER A 2 -47.483 -0.642 2.181 1.00 0.00 H new ATOM 19 N SER A 3 -42.773 -0.815 3.054 1.00 0.00 N ATOM 20 CA SER A 3 -41.428 -1.331 2.823 1.00 0.00 C ATOM 21 C SER A 3 -41.418 -2.856 2.865 1.00 0.00 C ATOM 22 O SER A 3 -42.228 -3.475 3.554 1.00 0.00 O ATOM 23 CB SER A 3 -40.458 -0.774 3.866 1.00 0.00 C ATOM 24 OG SER A 3 -39.963 0.495 3.476 1.00 0.00 O ATOM 0 H SER A 3 -43.364 -1.419 3.625 1.00 0.00 H new ATOM 0 HA SER A 3 -41.107 -1.009 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.963 -0.691 4.829 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.627 -1.466 4.001 1.00 0.00 H new ATOM 0 HG SER A 3 -40.603 0.923 2.870 1.00 0.00 H new ATOM 30 N GLY A 4 -40.493 -3.456 2.122 1.00 0.00 N ATOM 31 CA GLY A 4 -40.393 -4.904 2.088 1.00 0.00 C ATOM 32 C GLY A 4 -39.071 -5.381 1.520 1.00 0.00 C ATOM 33 O GLY A 4 -38.234 -4.573 1.116 1.00 0.00 O ATOM 0 H GLY A 4 -39.811 -2.966 1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.514 -5.297 3.097 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.209 -5.307 1.489 1.00 0.00 H new ATOM 37 N SER A 5 -38.881 -6.696 1.491 1.00 0.00 N ATOM 38 CA SER A 5 -37.649 -7.279 0.973 1.00 0.00 C ATOM 39 C SER A 5 -36.433 -6.720 1.706 1.00 0.00 C ATOM 40 O SER A 5 -35.430 -6.364 1.087 1.00 0.00 O ATOM 41 CB SER A 5 -37.522 -7.008 -0.528 1.00 0.00 C ATOM 42 OG SER A 5 -38.707 -7.375 -1.214 1.00 0.00 O ATOM 0 H SER A 5 -39.564 -7.378 1.820 1.00 0.00 H new ATOM 0 HA SER A 5 -37.689 -8.356 1.139 1.00 0.00 H new ATOM 0 HB2 SER A 5 -37.315 -5.951 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 5 -36.677 -7.566 -0.931 1.00 0.00 H new ATOM 0 HG SER A 5 -38.602 -7.191 -2.171 1.00 0.00 H new ATOM 48 N SER A 6 -36.532 -6.644 3.030 1.00 0.00 N ATOM 49 CA SER A 6 -35.443 -6.123 3.849 1.00 0.00 C ATOM 50 C SER A 6 -34.144 -6.870 3.562 1.00 0.00 C ATOM 51 O SER A 6 -34.104 -8.099 3.578 1.00 0.00 O ATOM 52 CB SER A 6 -35.793 -6.238 5.333 1.00 0.00 C ATOM 53 OG SER A 6 -36.900 -5.415 5.661 1.00 0.00 O ATOM 0 H SER A 6 -37.354 -6.936 3.558 1.00 0.00 H new ATOM 0 HA SER A 6 -35.302 -5.072 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.022 -7.275 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.932 -5.952 5.936 1.00 0.00 H new ATOM 0 HG SER A 6 -37.105 -5.508 6.615 1.00 0.00 H new ATOM 59 N GLY A 7 -33.080 -6.116 3.300 1.00 0.00 N ATOM 60 CA GLY A 7 -31.793 -6.722 3.014 1.00 0.00 C ATOM 61 C GLY A 7 -30.674 -6.126 3.844 1.00 0.00 C ATOM 62 O GLY A 7 -29.834 -5.376 3.345 1.00 0.00 O ATOM 0 H GLY A 7 -33.087 -5.096 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -31.850 -7.794 3.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.563 -6.596 1.956 1.00 0.00 H new ATOM 66 N PRO A 8 -30.653 -6.460 5.143 1.00 0.00 N ATOM 67 CA PRO A 8 -29.634 -5.961 6.071 1.00 0.00 C ATOM 68 C PRO A 8 -28.257 -6.558 5.796 1.00 0.00 C ATOM 69 O PRO A 8 -27.273 -6.194 6.439 1.00 0.00 O ATOM 70 CB PRO A 8 -30.148 -6.416 7.440 1.00 0.00 C ATOM 71 CG PRO A 8 -30.998 -7.604 7.150 1.00 0.00 C ATOM 72 CD PRO A 8 -31.622 -7.349 5.804 1.00 0.00 C ATOM 0 HA PRO A 8 -29.499 -4.883 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -29.325 -6.672 8.107 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -30.722 -5.629 7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -30.402 -8.516 7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -31.762 -7.733 7.916 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -31.765 -8.274 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -32.601 -6.878 5.897 1.00 0.00 H new ATOM 80 N ARG A 9 -28.196 -7.473 4.834 1.00 0.00 N ATOM 81 CA ARG A 9 -26.940 -8.120 4.474 1.00 0.00 C ATOM 82 C ARG A 9 -26.612 -7.890 3.002 1.00 0.00 C ATOM 83 O ARG A 9 -27.496 -7.589 2.201 1.00 0.00 O ATOM 84 CB ARG A 9 -27.012 -9.621 4.764 1.00 0.00 C ATOM 85 CG ARG A 9 -26.889 -9.963 6.239 1.00 0.00 C ATOM 86 CD ARG A 9 -26.702 -11.457 6.451 1.00 0.00 C ATOM 87 NE ARG A 9 -27.944 -12.198 6.248 1.00 0.00 N ATOM 88 CZ ARG A 9 -28.350 -12.642 5.063 1.00 0.00 C ATOM 89 NH1 ARG A 9 -27.615 -12.421 3.982 1.00 0.00 N ATOM 90 NH2 ARG A 9 -29.493 -13.309 4.959 1.00 0.00 N ATOM 0 H ARG A 9 -29.001 -7.783 4.290 1.00 0.00 H new ATOM 0 HA ARG A 9 -26.147 -7.679 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -27.958 -10.010 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -26.218 -10.127 4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -26.044 -9.425 6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -27.782 -9.629 6.767 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -25.942 -11.828 5.764 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -26.334 -11.637 7.461 1.00 0.00 H new ATOM 0 HE ARG A 9 -28.532 -12.385 7.060 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -26.736 -11.909 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -27.929 -12.763 3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -30.060 -13.481 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -29.804 -13.649 4.049 1.00 0.00 H new ATOM 104 N GLU A 10 -25.338 -8.034 2.654 1.00 0.00 N ATOM 105 CA GLU A 10 -24.896 -7.841 1.279 1.00 0.00 C ATOM 106 C GLU A 10 -23.636 -8.653 0.993 1.00 0.00 C ATOM 107 O GLU A 10 -22.719 -8.733 1.811 1.00 0.00 O ATOM 108 CB GLU A 10 -24.631 -6.358 1.009 1.00 0.00 C ATOM 109 CG GLU A 10 -23.427 -5.808 1.755 1.00 0.00 C ATOM 110 CD GLU A 10 -23.284 -4.306 1.606 1.00 0.00 C ATOM 111 OE1 GLU A 10 -24.310 -3.600 1.706 1.00 0.00 O ATOM 112 OE2 GLU A 10 -22.149 -3.836 1.389 1.00 0.00 O ATOM 0 H GLU A 10 -24.594 -8.284 3.305 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.690 -8.188 0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -24.482 -6.213 -0.061 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -25.514 -5.783 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -23.514 -6.058 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.523 -6.293 1.387 1.00 0.00 H new ATOM 119 N PRO A 11 -23.588 -9.272 -0.196 1.00 0.00 N ATOM 120 CA PRO A 11 -22.447 -10.090 -0.618 1.00 0.00 C ATOM 121 C PRO A 11 -21.204 -9.252 -0.895 1.00 0.00 C ATOM 122 O PRO A 11 -21.201 -8.401 -1.785 1.00 0.00 O ATOM 123 CB PRO A 11 -22.943 -10.752 -1.906 1.00 0.00 C ATOM 124 CG PRO A 11 -23.988 -9.830 -2.428 1.00 0.00 C ATOM 125 CD PRO A 11 -24.644 -9.221 -1.221 1.00 0.00 C ATOM 0 HA PRO A 11 -22.146 -10.799 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -22.132 -10.878 -2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.352 -11.743 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -23.548 -9.061 -3.063 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -24.714 -10.368 -3.037 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -24.968 -8.198 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.527 -9.783 -0.917 1.00 0.00 H new ATOM 133 N VAL A 12 -20.147 -9.497 -0.126 1.00 0.00 N ATOM 134 CA VAL A 12 -18.897 -8.765 -0.290 1.00 0.00 C ATOM 135 C VAL A 12 -17.805 -9.336 0.608 1.00 0.00 C ATOM 136 O VAL A 12 -18.045 -9.647 1.775 1.00 0.00 O ATOM 137 CB VAL A 12 -19.076 -7.269 0.026 1.00 0.00 C ATOM 138 CG1 VAL A 12 -19.459 -7.073 1.485 1.00 0.00 C ATOM 139 CG2 VAL A 12 -17.809 -6.498 -0.310 1.00 0.00 C ATOM 0 H VAL A 12 -20.132 -10.197 0.616 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.601 -8.874 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 12 -19.885 -6.879 -0.592 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.581 -6.009 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.396 -7.591 1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.675 -7.478 2.125 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.954 -5.442 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.979 -6.887 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.585 -6.611 -1.371 1.00 0.00 H new ATOM 149 N VAL A 13 -16.603 -9.470 0.057 1.00 0.00 N ATOM 150 CA VAL A 13 -15.472 -10.003 0.808 1.00 0.00 C ATOM 151 C VAL A 13 -14.352 -8.974 0.917 1.00 0.00 C ATOM 152 O VAL A 13 -14.288 -8.027 0.135 1.00 0.00 O ATOM 153 CB VAL A 13 -14.916 -11.282 0.156 1.00 0.00 C ATOM 154 CG1 VAL A 13 -15.986 -12.362 0.102 1.00 0.00 C ATOM 155 CG2 VAL A 13 -14.381 -10.981 -1.236 1.00 0.00 C ATOM 0 H VAL A 13 -16.387 -9.217 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 13 -15.840 -10.244 1.805 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.091 -11.651 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.575 -13.259 -0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.318 -12.596 1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.833 -12.006 -0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.992 -11.896 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.185 -10.588 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -13.582 -10.243 -1.167 1.00 0.00 H new ATOM 165 N ASN A 14 -13.472 -9.168 1.894 1.00 0.00 N ATOM 166 CA ASN A 14 -12.354 -8.255 2.106 1.00 0.00 C ATOM 167 C ASN A 14 -11.022 -8.963 1.869 1.00 0.00 C ATOM 168 O ASN A 14 -10.642 -9.860 2.620 1.00 0.00 O ATOM 169 CB ASN A 14 -12.395 -7.687 3.525 1.00 0.00 C ATOM 170 CG ASN A 14 -12.679 -8.751 4.568 1.00 0.00 C ATOM 171 OD1 ASN A 14 -13.670 -9.476 4.476 1.00 0.00 O ATOM 172 ND2 ASN A 14 -11.809 -8.850 5.566 1.00 0.00 N ATOM 0 H ASN A 14 -13.511 -9.948 2.550 1.00 0.00 H new ATOM 0 HA ASN A 14 -12.444 -7.437 1.391 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.442 -7.208 3.749 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.161 -6.914 3.581 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -11.948 -9.548 6.297 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -11.001 -8.228 5.602 1.00 0.00 H new ATOM 179 N ASP A 15 -10.320 -8.552 0.819 1.00 0.00 N ATOM 180 CA ASP A 15 -9.031 -9.144 0.483 1.00 0.00 C ATOM 181 C ASP A 15 -7.919 -8.551 1.343 1.00 0.00 C ATOM 182 O ASP A 15 -7.333 -9.242 2.178 1.00 0.00 O ATOM 183 CB ASP A 15 -8.716 -8.927 -0.999 1.00 0.00 C ATOM 184 CG ASP A 15 -9.899 -9.240 -1.893 1.00 0.00 C ATOM 185 OD1 ASP A 15 -10.618 -10.219 -1.605 1.00 0.00 O ATOM 186 OD2 ASP A 15 -10.106 -8.504 -2.881 1.00 0.00 O ATOM 0 H ASP A 15 -10.622 -7.811 0.186 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.089 -10.214 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.410 -7.893 -1.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.872 -9.555 -1.284 1.00 0.00 H new ATOM 191 N GLU A 16 -7.634 -7.270 1.134 1.00 0.00 N ATOM 192 CA GLU A 16 -6.592 -6.586 1.890 1.00 0.00 C ATOM 193 C GLU A 16 -7.074 -5.220 2.369 1.00 0.00 C ATOM 194 O GLU A 16 -7.545 -4.404 1.577 1.00 0.00 O ATOM 195 CB GLU A 16 -5.334 -6.424 1.035 1.00 0.00 C ATOM 196 CG GLU A 16 -4.605 -7.732 0.770 1.00 0.00 C ATOM 197 CD GLU A 16 -5.139 -8.460 -0.449 1.00 0.00 C ATOM 198 OE1 GLU A 16 -5.359 -7.800 -1.486 1.00 0.00 O ATOM 199 OE2 GLU A 16 -5.338 -9.690 -0.365 1.00 0.00 O ATOM 0 H GLU A 16 -8.110 -6.685 0.447 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.354 -7.194 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.608 -5.971 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.653 -5.733 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.543 -7.530 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.696 -8.378 1.643 1.00 0.00 H new ATOM 206 N MET A 17 -6.953 -4.979 3.670 1.00 0.00 N ATOM 207 CA MET A 17 -7.375 -3.712 4.255 1.00 0.00 C ATOM 208 C MET A 17 -6.412 -3.270 5.351 1.00 0.00 C ATOM 209 O MET A 17 -5.909 -4.092 6.119 1.00 0.00 O ATOM 210 CB MET A 17 -8.790 -3.833 4.822 1.00 0.00 C ATOM 211 CG MET A 17 -9.819 -4.290 3.800 1.00 0.00 C ATOM 212 SD MET A 17 -11.405 -4.705 4.548 1.00 0.00 S ATOM 213 CE MET A 17 -12.419 -3.349 3.966 1.00 0.00 C ATOM 0 H MET A 17 -6.566 -5.644 4.339 1.00 0.00 H new ATOM 0 HA MET A 17 -7.370 -2.959 3.467 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.780 -4.537 5.654 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.095 -2.867 5.225 1.00 0.00 H new ATOM 0 HG2 MET A 17 -9.966 -3.502 3.061 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.434 -5.160 3.267 1.00 0.00 H new ATOM 0 HE1 MET A 17 -12.855 -2.829 4.819 1.00 0.00 H new ATOM 0 HE2 MET A 17 -11.804 -2.655 3.393 1.00 0.00 H new ATOM 0 HE3 MET A 17 -13.216 -3.737 3.331 1.00 0.00 H new ATOM 223 N CYS A 18 -6.156 -1.968 5.420 1.00 0.00 N ATOM 224 CA CYS A 18 -5.251 -1.417 6.421 1.00 0.00 C ATOM 225 C CYS A 18 -5.452 -2.102 7.771 1.00 0.00 C ATOM 226 O CYS A 18 -6.581 -2.275 8.229 1.00 0.00 O ATOM 227 CB CYS A 18 -5.473 0.090 6.565 1.00 0.00 C ATOM 228 SG CYS A 18 -4.280 0.914 7.669 1.00 0.00 S ATOM 0 H CYS A 18 -6.563 -1.274 4.793 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.229 -1.597 6.089 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -5.418 0.551 5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.481 0.264 6.942 1.00 0.00 H new ATOM 233 N ASP A 19 -4.348 -2.490 8.400 1.00 0.00 N ATOM 234 CA ASP A 19 -4.401 -3.154 9.697 1.00 0.00 C ATOM 235 C ASP A 19 -4.670 -2.150 10.813 1.00 0.00 C ATOM 236 O ASP A 19 -4.653 -2.497 11.993 1.00 0.00 O ATOM 237 CB ASP A 19 -3.092 -3.897 9.968 1.00 0.00 C ATOM 238 CG ASP A 19 -2.921 -5.111 9.076 1.00 0.00 C ATOM 239 OD1 ASP A 19 -3.941 -5.632 8.578 1.00 0.00 O ATOM 240 OD2 ASP A 19 -1.766 -5.541 8.875 1.00 0.00 O ATOM 0 H ASP A 19 -3.406 -2.356 8.033 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.220 -3.873 9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.254 -3.217 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.064 -4.210 11.012 1.00 0.00 H new ATOM 245 N VAL A 20 -4.914 -0.900 10.430 1.00 0.00 N ATOM 246 CA VAL A 20 -5.187 0.156 11.398 1.00 0.00 C ATOM 247 C VAL A 20 -6.506 0.857 11.091 1.00 0.00 C ATOM 248 O VAL A 20 -7.096 1.500 11.959 1.00 0.00 O ATOM 249 CB VAL A 20 -4.056 1.202 11.419 1.00 0.00 C ATOM 250 CG1 VAL A 20 -4.366 2.304 12.422 1.00 0.00 C ATOM 251 CG2 VAL A 20 -2.724 0.539 11.739 1.00 0.00 C ATOM 0 H VAL A 20 -4.928 -0.594 9.457 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.252 -0.320 12.376 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.984 1.654 10.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.556 3.034 12.423 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.298 2.797 12.145 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.466 1.872 13.418 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.936 1.292 11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.782 0.060 12.716 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.499 -0.211 10.980 1.00 0.00 H new ATOM 261 N CYS A 21 -6.964 0.727 9.851 1.00 0.00 N ATOM 262 CA CYS A 21 -8.213 1.346 9.428 1.00 0.00 C ATOM 263 C CYS A 21 -9.183 0.300 8.883 1.00 0.00 C ATOM 264 O CYS A 21 -10.399 0.465 8.964 1.00 0.00 O ATOM 265 CB CYS A 21 -7.944 2.411 8.362 1.00 0.00 C ATOM 266 SG CYS A 21 -6.828 3.743 8.908 1.00 0.00 S ATOM 0 H CYS A 21 -6.488 0.198 9.121 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.667 1.819 10.299 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.515 1.930 7.483 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -8.893 2.850 8.054 1.00 0.00 H new ATOM 271 N GLU A 22 -8.633 -0.776 8.329 1.00 0.00 N ATOM 272 CA GLU A 22 -9.449 -1.848 7.771 1.00 0.00 C ATOM 273 C GLU A 22 -10.256 -1.352 6.575 1.00 0.00 C ATOM 274 O GLU A 22 -11.446 -1.643 6.451 1.00 0.00 O ATOM 275 CB GLU A 22 -10.390 -2.411 8.838 1.00 0.00 C ATOM 276 CG GLU A 22 -9.667 -3.031 10.022 1.00 0.00 C ATOM 277 CD GLU A 22 -10.610 -3.736 10.977 1.00 0.00 C ATOM 278 OE1 GLU A 22 -11.675 -4.204 10.522 1.00 0.00 O ATOM 279 OE2 GLU A 22 -10.284 -3.822 12.179 1.00 0.00 O ATOM 0 H GLU A 22 -7.627 -0.928 8.255 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.781 -2.640 7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.038 -1.612 9.197 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.034 -3.163 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.925 -3.742 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.125 -2.253 10.560 1.00 0.00 H new ATOM 286 N VAL A 23 -9.601 -0.600 5.698 1.00 0.00 N ATOM 287 CA VAL A 23 -10.256 -0.063 4.511 1.00 0.00 C ATOM 288 C VAL A 23 -9.291 0.004 3.333 1.00 0.00 C ATOM 289 O VAL A 23 -8.187 0.536 3.450 1.00 0.00 O ATOM 290 CB VAL A 23 -10.825 1.344 4.773 1.00 0.00 C ATOM 291 CG1 VAL A 23 -12.048 1.266 5.675 1.00 0.00 C ATOM 292 CG2 VAL A 23 -9.761 2.246 5.380 1.00 0.00 C ATOM 0 H VAL A 23 -8.617 -0.348 5.787 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.075 -0.740 4.268 1.00 0.00 H new ATOM 0 HB VAL A 23 -11.132 1.775 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -12.436 2.270 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.815 0.658 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.770 0.814 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -10.181 3.236 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.420 1.822 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.918 2.328 4.693 1.00 0.00 H new ATOM 302 N TRP A 24 -9.714 -0.541 2.197 1.00 0.00 N ATOM 303 CA TRP A 24 -8.887 -0.544 0.996 1.00 0.00 C ATOM 304 C TRP A 24 -9.373 0.502 -0.002 1.00 0.00 C ATOM 305 O TRP A 24 -10.437 1.096 0.175 1.00 0.00 O ATOM 306 CB TRP A 24 -8.897 -1.929 0.349 1.00 0.00 C ATOM 307 CG TRP A 24 -9.979 -2.099 -0.675 1.00 0.00 C ATOM 308 CD1 TRP A 24 -11.281 -2.439 -0.441 1.00 0.00 C ATOM 309 CD2 TRP A 24 -9.853 -1.937 -2.092 1.00 0.00 C ATOM 310 NE1 TRP A 24 -11.972 -2.500 -1.627 1.00 0.00 N ATOM 311 CE2 TRP A 24 -11.118 -2.195 -2.654 1.00 0.00 C ATOM 312 CE3 TRP A 24 -8.795 -1.598 -2.939 1.00 0.00 C ATOM 313 CZ2 TRP A 24 -11.351 -2.125 -4.025 1.00 0.00 C ATOM 314 CZ3 TRP A 24 -9.027 -1.530 -4.299 1.00 0.00 C ATOM 315 CH2 TRP A 24 -10.296 -1.791 -4.832 1.00 0.00 C ATOM 0 H TRP A 24 -10.625 -0.986 2.083 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.866 -0.295 1.286 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -7.930 -2.109 -0.121 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -9.020 -2.684 1.126 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.705 -2.632 0.533 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.960 -2.734 -1.727 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -7.814 -1.393 -2.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -12.329 -2.327 -4.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -8.216 -1.271 -4.963 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -10.445 -1.728 -5.900 1.00 0.00 H new ATOM 326 N THR A 25 -8.588 0.722 -1.052 1.00 0.00 N ATOM 327 CA THR A 25 -8.939 1.696 -2.078 1.00 0.00 C ATOM 328 C THR A 25 -8.391 1.282 -3.439 1.00 0.00 C ATOM 329 O THR A 25 -7.315 0.692 -3.532 1.00 0.00 O ATOM 330 CB THR A 25 -8.407 3.098 -1.726 1.00 0.00 C ATOM 331 OG1 THR A 25 -8.699 3.404 -0.359 1.00 0.00 O ATOM 332 CG2 THR A 25 -9.024 4.154 -2.631 1.00 0.00 C ATOM 0 H THR A 25 -7.705 0.239 -1.214 1.00 0.00 H new ATOM 0 HA THR A 25 -10.028 1.730 -2.124 1.00 0.00 H new ATOM 0 HB THR A 25 -7.327 3.101 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.356 4.296 -0.143 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.633 5.136 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.774 3.935 -3.669 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.107 4.149 -2.510 1.00 0.00 H new ATOM 340 N ALA A 26 -9.138 1.596 -4.493 1.00 0.00 N ATOM 341 CA ALA A 26 -8.723 1.260 -5.849 1.00 0.00 C ATOM 342 C ALA A 26 -7.206 1.304 -5.988 1.00 0.00 C ATOM 343 O ALA A 26 -6.586 0.340 -6.433 1.00 0.00 O ATOM 344 CB ALA A 26 -9.376 2.204 -6.849 1.00 0.00 C ATOM 0 H ALA A 26 -10.033 2.082 -4.433 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.049 0.242 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.058 1.942 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.460 2.117 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.078 3.229 -6.629 1.00 0.00 H new ATOM 350 N GLU A 27 -6.615 2.432 -5.604 1.00 0.00 N ATOM 351 CA GLU A 27 -5.169 2.602 -5.687 1.00 0.00 C ATOM 352 C GLU A 27 -4.649 3.427 -4.514 1.00 0.00 C ATOM 353 O GLU A 27 -5.425 3.911 -3.689 1.00 0.00 O ATOM 354 CB GLU A 27 -4.788 3.276 -7.008 1.00 0.00 C ATOM 355 CG GLU A 27 -5.563 4.553 -7.284 1.00 0.00 C ATOM 356 CD GLU A 27 -5.506 4.967 -8.742 1.00 0.00 C ATOM 357 OE1 GLU A 27 -4.388 5.192 -9.251 1.00 0.00 O ATOM 358 OE2 GLU A 27 -6.578 5.063 -9.374 1.00 0.00 O ATOM 0 H GLU A 27 -7.115 3.240 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.710 1.614 -5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.722 3.503 -6.996 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.956 2.575 -7.826 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.603 4.413 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.163 5.357 -6.666 1.00 0.00 H new ATOM 365 N SER A 28 -3.331 3.582 -4.445 1.00 0.00 N ATOM 366 CA SER A 28 -2.706 4.343 -3.370 1.00 0.00 C ATOM 367 C SER A 28 -2.718 3.552 -2.065 1.00 0.00 C ATOM 368 O SER A 28 -2.741 4.128 -0.977 1.00 0.00 O ATOM 369 CB SER A 28 -3.428 5.679 -3.176 1.00 0.00 C ATOM 370 OG SER A 28 -2.543 6.669 -2.681 1.00 0.00 O ATOM 0 H SER A 28 -2.675 3.191 -5.121 1.00 0.00 H new ATOM 0 HA SER A 28 -1.670 4.534 -3.649 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.853 6.008 -4.125 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.259 5.550 -2.482 1.00 0.00 H new ATOM 0 HG SER A 28 -3.027 7.513 -2.567 1.00 0.00 H new ATOM 376 N LEU A 29 -2.702 2.229 -2.183 1.00 0.00 N ATOM 377 CA LEU A 29 -2.711 1.356 -1.014 1.00 0.00 C ATOM 378 C LEU A 29 -1.313 0.818 -0.726 1.00 0.00 C ATOM 379 O LEU A 29 -0.929 -0.238 -1.227 1.00 0.00 O ATOM 380 CB LEU A 29 -3.684 0.196 -1.227 1.00 0.00 C ATOM 381 CG LEU A 29 -4.162 -0.519 0.037 1.00 0.00 C ATOM 382 CD1 LEU A 29 -4.554 0.490 1.105 1.00 0.00 C ATOM 383 CD2 LEU A 29 -5.330 -1.442 -0.281 1.00 0.00 C ATOM 0 H LEU A 29 -2.683 1.737 -3.076 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.038 1.942 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.557 0.573 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.207 -0.538 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.341 -1.124 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.892 -0.037 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.692 1.110 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.359 1.122 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.657 -1.942 0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.154 -0.858 -0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.016 -2.188 -1.012 1.00 0.00 H new ATOM 395 N PHE A 30 -0.558 1.550 0.086 1.00 0.00 N ATOM 396 CA PHE A 30 0.797 1.145 0.442 1.00 0.00 C ATOM 397 C PHE A 30 0.784 0.196 1.637 1.00 0.00 C ATOM 398 O PHE A 30 -0.132 0.204 2.458 1.00 0.00 O ATOM 399 CB PHE A 30 1.652 2.373 0.761 1.00 0.00 C ATOM 400 CG PHE A 30 2.006 3.187 -0.451 1.00 0.00 C ATOM 401 CD1 PHE A 30 1.015 3.775 -1.220 1.00 0.00 C ATOM 402 CD2 PHE A 30 3.330 3.365 -0.820 1.00 0.00 C ATOM 403 CE1 PHE A 30 1.338 4.525 -2.335 1.00 0.00 C ATOM 404 CE2 PHE A 30 3.659 4.114 -1.934 1.00 0.00 C ATOM 405 CZ PHE A 30 2.661 4.695 -2.692 1.00 0.00 C ATOM 0 H PHE A 30 -0.861 2.427 0.510 1.00 0.00 H new ATOM 0 HA PHE A 30 1.229 0.622 -0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.116 3.005 1.470 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.570 2.050 1.252 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.021 3.646 -0.945 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.114 2.913 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.556 4.978 -2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.695 4.245 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.915 5.281 -3.563 1.00 0.00 H new ATOM 415 N PRO A 31 1.827 -0.642 1.737 1.00 0.00 N ATOM 416 CA PRO A 31 2.923 -0.660 0.765 1.00 0.00 C ATOM 417 C PRO A 31 2.488 -1.208 -0.590 1.00 0.00 C ATOM 418 O PRO A 31 2.704 -0.576 -1.625 1.00 0.00 O ATOM 419 CB PRO A 31 3.954 -1.590 1.410 1.00 0.00 C ATOM 420 CG PRO A 31 3.158 -2.475 2.306 1.00 0.00 C ATOM 421 CD PRO A 31 2.014 -1.637 2.807 1.00 0.00 C ATOM 0 HA PRO A 31 3.301 0.342 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.491 -2.168 0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 31 4.699 -1.026 1.971 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.794 -3.350 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.766 -2.840 3.134 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.116 -2.235 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.250 -1.163 3.760 1.00 0.00 H new ATOM 429 N CYS A 32 1.872 -2.385 -0.578 1.00 0.00 N ATOM 430 CA CYS A 32 1.406 -3.018 -1.805 1.00 0.00 C ATOM 431 C CYS A 32 0.456 -4.171 -1.495 1.00 0.00 C ATOM 432 O CYS A 32 0.488 -4.740 -0.405 1.00 0.00 O ATOM 433 CB CYS A 32 2.593 -3.528 -2.624 1.00 0.00 C ATOM 434 SG CYS A 32 3.010 -5.275 -2.323 1.00 0.00 S ATOM 0 H CYS A 32 1.684 -2.920 0.270 1.00 0.00 H new ATOM 0 HA CYS A 32 0.866 -2.271 -2.387 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.373 -3.396 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.465 -2.914 -2.400 1.00 0.00 H new ATOM 439 N ARG A 33 -0.391 -4.510 -2.464 1.00 0.00 N ATOM 440 CA ARG A 33 -1.350 -5.593 -2.294 1.00 0.00 C ATOM 441 C ARG A 33 -0.723 -6.937 -2.653 1.00 0.00 C ATOM 442 O ARG A 33 -1.197 -7.990 -2.226 1.00 0.00 O ATOM 443 CB ARG A 33 -2.587 -5.348 -3.162 1.00 0.00 C ATOM 444 CG ARG A 33 -2.368 -5.656 -4.634 1.00 0.00 C ATOM 445 CD ARG A 33 -2.001 -4.404 -5.416 1.00 0.00 C ATOM 446 NE ARG A 33 -3.175 -3.757 -5.995 1.00 0.00 N ATOM 447 CZ ARG A 33 -3.156 -2.540 -6.527 1.00 0.00 C ATOM 448 NH1 ARG A 33 -2.029 -1.842 -6.554 1.00 0.00 N ATOM 449 NH2 ARG A 33 -4.266 -2.018 -7.034 1.00 0.00 N ATOM 0 H ARG A 33 -0.431 -4.050 -3.373 1.00 0.00 H new ATOM 0 HA ARG A 33 -1.648 -5.619 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -3.409 -5.960 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.893 -4.307 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.575 -6.397 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.273 -6.096 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.488 -3.703 -4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.302 -4.665 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.058 -4.268 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.174 -2.239 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.017 -0.908 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.135 -2.551 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.250 -1.083 -7.442 1.00 0.00 H new ATOM 463 N VAL A 34 0.348 -6.893 -3.440 1.00 0.00 N ATOM 464 CA VAL A 34 1.041 -8.106 -3.856 1.00 0.00 C ATOM 465 C VAL A 34 1.640 -8.834 -2.658 1.00 0.00 C ATOM 466 O VAL A 34 1.934 -10.029 -2.726 1.00 0.00 O ATOM 467 CB VAL A 34 2.161 -7.795 -4.866 1.00 0.00 C ATOM 468 CG1 VAL A 34 2.634 -9.068 -5.550 1.00 0.00 C ATOM 469 CG2 VAL A 34 1.686 -6.775 -5.889 1.00 0.00 C ATOM 0 H VAL A 34 0.754 -6.030 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 34 0.299 -8.746 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 34 3.006 -7.368 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.425 -8.827 -6.260 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.016 -9.762 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.800 -9.528 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.490 -6.567 -6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.825 -7.172 -6.426 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.402 -5.854 -5.380 1.00 0.00 H new ATOM 479 N CYS A 35 1.822 -8.106 -1.561 1.00 0.00 N ATOM 480 CA CYS A 35 2.387 -8.682 -0.345 1.00 0.00 C ATOM 481 C CYS A 35 1.286 -9.202 0.573 1.00 0.00 C ATOM 482 O CYS A 35 1.415 -9.168 1.798 1.00 0.00 O ATOM 483 CB CYS A 35 3.233 -7.642 0.391 1.00 0.00 C ATOM 484 SG CYS A 35 4.921 -7.457 -0.264 1.00 0.00 S ATOM 0 H CYS A 35 1.587 -7.116 -1.489 1.00 0.00 H new ATOM 0 HA CYS A 35 3.022 -9.520 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.728 -6.677 0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.292 -7.917 1.444 1.00 0.00 H new ATOM 489 N THR A 36 0.200 -9.682 -0.026 1.00 0.00 N ATOM 490 CA THR A 36 -0.924 -10.209 0.738 1.00 0.00 C ATOM 491 C THR A 36 -1.106 -9.447 2.045 1.00 0.00 C ATOM 492 O THR A 36 -1.461 -10.029 3.070 1.00 0.00 O ATOM 493 CB THR A 36 -0.740 -11.706 1.050 1.00 0.00 C ATOM 494 OG1 THR A 36 -0.376 -12.413 -0.140 1.00 0.00 O ATOM 495 CG2 THR A 36 -2.016 -12.299 1.627 1.00 0.00 C ATOM 0 H THR A 36 0.075 -9.716 -1.038 1.00 0.00 H new ATOM 0 HA THR A 36 -1.813 -10.082 0.120 1.00 0.00 H new ATOM 0 HB THR A 36 0.055 -11.805 1.789 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.259 -13.364 0.067 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.862 -13.357 1.839 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.275 -11.778 2.549 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.827 -12.188 0.907 1.00 0.00 H new ATOM 503 N ARG A 37 -0.860 -8.142 2.004 1.00 0.00 N ATOM 504 CA ARG A 37 -0.995 -7.301 3.186 1.00 0.00 C ATOM 505 C ARG A 37 -0.768 -5.832 2.838 1.00 0.00 C ATOM 506 O ARG A 37 0.161 -5.494 2.105 1.00 0.00 O ATOM 507 CB ARG A 37 -0.004 -7.739 4.267 1.00 0.00 C ATOM 508 CG ARG A 37 -0.421 -7.340 5.673 1.00 0.00 C ATOM 509 CD ARG A 37 -1.520 -8.247 6.206 1.00 0.00 C ATOM 510 NE ARG A 37 -0.999 -9.540 6.638 1.00 0.00 N ATOM 511 CZ ARG A 37 -1.765 -10.600 6.873 1.00 0.00 C ATOM 512 NH1 ARG A 37 -3.080 -10.519 6.717 1.00 0.00 N ATOM 513 NH2 ARG A 37 -1.217 -11.744 7.264 1.00 0.00 N ATOM 0 H ARG A 37 -0.566 -7.644 1.164 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.010 -7.414 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.111 -8.822 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.972 -7.306 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.443 -7.384 6.336 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.769 -6.307 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.019 -7.759 7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.272 -8.399 5.432 1.00 0.00 H new ATOM 0 HE ARG A 37 0.008 -9.635 6.767 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.505 -9.642 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.666 -11.334 6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.206 -11.810 7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.807 -12.557 7.444 1.00 0.00 H new ATOM 527 N VAL A 38 -1.623 -4.965 3.369 1.00 0.00 N ATOM 528 CA VAL A 38 -1.516 -3.532 3.115 1.00 0.00 C ATOM 529 C VAL A 38 -1.747 -2.729 4.390 1.00 0.00 C ATOM 530 O VAL A 38 -2.620 -3.058 5.194 1.00 0.00 O ATOM 531 CB VAL A 38 -2.524 -3.075 2.043 1.00 0.00 C ATOM 532 CG1 VAL A 38 -2.397 -3.930 0.791 1.00 0.00 C ATOM 533 CG2 VAL A 38 -3.942 -3.125 2.591 1.00 0.00 C ATOM 0 H VAL A 38 -2.398 -5.229 3.978 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.504 -3.349 2.753 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.299 -2.043 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.117 -3.592 0.045 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.388 -3.839 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.595 -4.972 1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.641 -2.799 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.181 -4.146 2.890 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.021 -2.466 3.456 1.00 0.00 H new ATOM 543 N PHE A 39 -0.960 -1.674 4.569 1.00 0.00 N ATOM 544 CA PHE A 39 -1.077 -0.823 5.747 1.00 0.00 C ATOM 545 C PHE A 39 -0.663 0.611 5.427 1.00 0.00 C ATOM 546 O PHE A 39 0.509 0.887 5.173 1.00 0.00 O ATOM 547 CB PHE A 39 -0.218 -1.372 6.888 1.00 0.00 C ATOM 548 CG PHE A 39 0.978 -2.148 6.416 1.00 0.00 C ATOM 549 CD1 PHE A 39 2.183 -1.507 6.169 1.00 0.00 C ATOM 550 CD2 PHE A 39 0.900 -3.517 6.218 1.00 0.00 C ATOM 551 CE1 PHE A 39 3.285 -2.219 5.734 1.00 0.00 C ATOM 552 CE2 PHE A 39 1.999 -4.234 5.784 1.00 0.00 C ATOM 553 CZ PHE A 39 3.193 -3.584 5.542 1.00 0.00 C ATOM 0 H PHE A 39 -0.234 -1.388 3.913 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.122 -0.819 6.058 1.00 0.00 H new ATOM 0 HB2 PHE A 39 0.119 -0.543 7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.833 -2.014 7.519 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.261 -0.440 6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.032 -4.030 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.218 -1.708 5.544 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.924 -5.301 5.634 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.054 -4.142 5.203 1.00 0.00 H new ATOM 563 N HIS A 40 -1.634 1.518 5.440 1.00 0.00 N ATOM 564 CA HIS A 40 -1.372 2.923 5.151 1.00 0.00 C ATOM 565 C HIS A 40 -0.052 3.368 5.773 1.00 0.00 C ATOM 566 O HIS A 40 0.088 3.406 6.996 1.00 0.00 O ATOM 567 CB HIS A 40 -2.514 3.795 5.672 1.00 0.00 C ATOM 568 CG HIS A 40 -3.857 3.408 5.134 1.00 0.00 C ATOM 569 ND1 HIS A 40 -5.041 3.895 5.645 1.00 0.00 N ATOM 570 CD2 HIS A 40 -4.199 2.577 4.122 1.00 0.00 C ATOM 571 CE1 HIS A 40 -6.054 3.378 4.972 1.00 0.00 C ATOM 572 NE2 HIS A 40 -5.569 2.576 4.042 1.00 0.00 N ATOM 0 H HIS A 40 -2.610 1.305 5.648 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.302 3.039 4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.537 3.737 6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.314 4.835 5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.520 2.019 3.494 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.100 3.577 5.152 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -6.123 2.042 3.372 1.00 0.00 H new ATOM 580 N ASP A 41 0.913 3.704 4.924 1.00 0.00 N ATOM 581 CA ASP A 41 2.222 4.147 5.391 1.00 0.00 C ATOM 582 C ASP A 41 2.084 5.261 6.422 1.00 0.00 C ATOM 583 O ASP A 41 2.859 5.341 7.374 1.00 0.00 O ATOM 584 CB ASP A 41 3.071 4.627 4.213 1.00 0.00 C ATOM 585 CG ASP A 41 4.337 5.331 4.661 1.00 0.00 C ATOM 586 OD1 ASP A 41 4.262 6.529 5.003 1.00 0.00 O ATOM 587 OD2 ASP A 41 5.404 4.681 4.671 1.00 0.00 O ATOM 0 H ASP A 41 0.814 3.678 3.909 1.00 0.00 H new ATOM 0 HA ASP A 41 2.717 3.299 5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.335 3.774 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.481 5.304 3.596 1.00 0.00 H new ATOM 592 N GLY A 42 1.089 6.122 6.225 1.00 0.00 N ATOM 593 CA GLY A 42 0.867 7.222 7.146 1.00 0.00 C ATOM 594 C GLY A 42 0.400 6.752 8.509 1.00 0.00 C ATOM 595 O GLY A 42 0.730 7.357 9.530 1.00 0.00 O ATOM 0 H GLY A 42 0.434 6.077 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.791 7.790 7.258 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.125 7.900 6.725 1.00 0.00 H new ATOM 599 N CYS A 43 -0.372 5.670 8.529 1.00 0.00 N ATOM 600 CA CYS A 43 -0.888 5.120 9.776 1.00 0.00 C ATOM 601 C CYS A 43 0.250 4.626 10.665 1.00 0.00 C ATOM 602 O CYS A 43 0.213 4.786 11.885 1.00 0.00 O ATOM 603 CB CYS A 43 -1.859 3.973 9.489 1.00 0.00 C ATOM 604 SG CYS A 43 -3.596 4.495 9.318 1.00 0.00 S ATOM 0 H CYS A 43 -0.654 5.157 7.694 1.00 0.00 H new ATOM 0 HA CYS A 43 -1.419 5.914 10.302 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -1.550 3.470 8.573 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.788 3.241 10.294 1.00 0.00 H new ATOM 609 N LEU A 44 1.260 4.027 10.044 1.00 0.00 N ATOM 610 CA LEU A 44 2.410 3.510 10.777 1.00 0.00 C ATOM 611 C LEU A 44 3.239 4.649 11.363 1.00 0.00 C ATOM 612 O LEU A 44 3.436 4.725 12.576 1.00 0.00 O ATOM 613 CB LEU A 44 3.281 2.650 9.859 1.00 0.00 C ATOM 614 CG LEU A 44 2.572 1.501 9.144 1.00 0.00 C ATOM 615 CD1 LEU A 44 3.396 1.019 7.959 1.00 0.00 C ATOM 616 CD2 LEU A 44 2.303 0.356 10.110 1.00 0.00 C ATOM 0 H LEU A 44 1.306 3.887 9.035 1.00 0.00 H new ATOM 0 HA LEU A 44 2.040 2.895 11.597 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.730 3.298 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.097 2.235 10.450 1.00 0.00 H new ATOM 0 HG LEU A 44 1.616 1.867 8.770 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.875 0.201 7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.536 1.840 7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.368 0.671 8.309 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.798 -0.453 9.583 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.247 -0.008 10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.671 0.709 10.925 1.00 0.00 H new ATOM 628 N ARG A 45 3.720 5.532 10.495 1.00 0.00 N ATOM 629 CA ARG A 45 4.526 6.668 10.927 1.00 0.00 C ATOM 630 C ARG A 45 3.808 7.461 12.014 1.00 0.00 C ATOM 631 O ARG A 45 4.431 7.931 12.967 1.00 0.00 O ATOM 632 CB ARG A 45 4.839 7.579 9.739 1.00 0.00 C ATOM 633 CG ARG A 45 3.728 8.564 9.418 1.00 0.00 C ATOM 634 CD ARG A 45 4.121 9.494 8.280 1.00 0.00 C ATOM 635 NE ARG A 45 3.198 10.619 8.148 1.00 0.00 N ATOM 636 CZ ARG A 45 3.485 11.732 7.483 1.00 0.00 C ATOM 637 NH1 ARG A 45 4.664 11.868 6.891 1.00 0.00 N ATOM 638 NH2 ARG A 45 2.593 12.711 7.409 1.00 0.00 N ATOM 0 H ARG A 45 3.566 5.483 9.488 1.00 0.00 H new ATOM 0 HA ARG A 45 5.460 6.284 11.338 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.755 8.132 9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.032 6.963 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.823 8.019 9.148 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.493 9.152 10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.129 9.871 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.145 8.933 7.346 1.00 0.00 H new ATOM 0 HE ARG A 45 2.282 10.545 8.591 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.352 11.117 6.946 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.883 12.724 6.381 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.685 12.609 7.863 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.815 13.565 6.898 1.00 0.00 H new ATOM 652 N ARG A 46 2.496 7.606 11.866 1.00 0.00 N ATOM 653 CA ARG A 46 1.694 8.344 12.835 1.00 0.00 C ATOM 654 C ARG A 46 1.724 7.661 14.198 1.00 0.00 C ATOM 655 O ARG A 46 2.075 8.276 15.205 1.00 0.00 O ATOM 656 CB ARG A 46 0.249 8.466 12.346 1.00 0.00 C ATOM 657 CG ARG A 46 -0.605 9.394 13.194 1.00 0.00 C ATOM 658 CD ARG A 46 -1.291 8.643 14.324 1.00 0.00 C ATOM 659 NE ARG A 46 -2.579 8.091 13.911 1.00 0.00 N ATOM 660 CZ ARG A 46 -3.268 7.216 14.635 1.00 0.00 C ATOM 661 NH1 ARG A 46 -2.797 6.797 15.802 1.00 0.00 N ATOM 662 NH2 ARG A 46 -4.433 6.760 14.193 1.00 0.00 N ATOM 0 H ARG A 46 1.965 7.222 11.084 1.00 0.00 H new ATOM 0 HA ARG A 46 2.121 9.341 12.938 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.252 8.827 11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.207 7.476 12.335 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.018 10.187 13.608 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.356 9.874 12.566 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.644 7.836 14.668 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.439 9.315 15.169 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.970 8.394 13.019 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.903 7.147 16.146 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.329 6.125 16.355 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.800 7.081 13.297 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.962 6.088 14.749 1.00 0.00 H new ATOM 676 N MET A 47 1.355 6.385 14.224 1.00 0.00 N ATOM 677 CA MET A 47 1.340 5.618 15.465 1.00 0.00 C ATOM 678 C MET A 47 2.758 5.386 15.977 1.00 0.00 C ATOM 679 O MET A 47 3.127 5.862 17.049 1.00 0.00 O ATOM 680 CB MET A 47 0.636 4.276 15.252 1.00 0.00 C ATOM 681 CG MET A 47 -0.839 4.411 14.909 1.00 0.00 C ATOM 682 SD MET A 47 -1.568 2.858 14.355 1.00 0.00 S ATOM 683 CE MET A 47 -2.492 2.378 15.812 1.00 0.00 C ATOM 0 H MET A 47 1.062 5.860 13.400 1.00 0.00 H new ATOM 0 HA MET A 47 0.792 6.193 16.212 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.139 3.734 14.451 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.737 3.675 16.155 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.380 4.770 15.784 1.00 0.00 H new ATOM 0 HG3 MET A 47 -0.959 5.163 14.129 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.001 1.432 15.625 1.00 0.00 H new ATOM 0 HE2 MET A 47 -1.810 2.263 16.654 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.229 3.146 16.045 1.00 0.00 H new ATOM 693 N GLY A 48 3.550 4.651 15.201 1.00 0.00 N ATOM 694 CA GLY A 48 4.918 4.368 15.594 1.00 0.00 C ATOM 695 C GLY A 48 5.298 2.919 15.370 1.00 0.00 C ATOM 696 O GLY A 48 5.845 2.267 16.260 1.00 0.00 O ATOM 0 H GLY A 48 3.268 4.247 14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.595 5.009 15.029 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.049 4.616 16.647 1.00 0.00 H new ATOM 700 N TYR A 49 5.007 2.410 14.178 1.00 0.00 N ATOM 701 CA TYR A 49 5.318 1.026 13.841 1.00 0.00 C ATOM 702 C TYR A 49 6.689 0.920 13.182 1.00 0.00 C ATOM 703 O TYR A 49 7.524 0.112 13.588 1.00 0.00 O ATOM 704 CB TYR A 49 4.247 0.452 12.911 1.00 0.00 C ATOM 705 CG TYR A 49 3.059 -0.130 13.642 1.00 0.00 C ATOM 706 CD1 TYR A 49 3.110 -1.409 14.183 1.00 0.00 C ATOM 707 CD2 TYR A 49 1.884 0.597 13.790 1.00 0.00 C ATOM 708 CE1 TYR A 49 2.027 -1.946 14.852 1.00 0.00 C ATOM 709 CE2 TYR A 49 0.796 0.069 14.458 1.00 0.00 C ATOM 710 CZ TYR A 49 0.872 -1.203 14.987 1.00 0.00 C ATOM 711 OH TYR A 49 -0.209 -1.734 15.651 1.00 0.00 O ATOM 0 H TYR A 49 4.556 2.935 13.429 1.00 0.00 H new ATOM 0 HA TYR A 49 5.334 0.449 14.766 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.901 1.238 12.241 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.695 -0.323 12.289 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.012 -1.994 14.079 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.820 1.592 13.376 1.00 0.00 H new ATOM 0 HE1 TYR A 49 2.084 -2.941 15.267 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.109 0.649 14.565 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.941 -1.082 15.658 1.00 0.00 H new ATOM 721 N ILE A 50 6.913 1.744 12.163 1.00 0.00 N ATOM 722 CA ILE A 50 8.184 1.746 11.449 1.00 0.00 C ATOM 723 C ILE A 50 9.344 1.436 12.389 1.00 0.00 C ATOM 724 O ILE A 50 10.015 0.415 12.246 1.00 0.00 O ATOM 725 CB ILE A 50 8.442 3.100 10.761 1.00 0.00 C ATOM 726 CG1 ILE A 50 7.360 3.380 9.716 1.00 0.00 C ATOM 727 CG2 ILE A 50 9.822 3.115 10.121 1.00 0.00 C ATOM 728 CD1 ILE A 50 7.125 4.854 9.471 1.00 0.00 C ATOM 0 H ILE A 50 6.231 2.418 11.814 1.00 0.00 H new ATOM 0 HA ILE A 50 8.119 0.968 10.688 1.00 0.00 H new ATOM 0 HB ILE A 50 8.405 3.887 11.514 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.641 2.904 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.426 2.920 10.039 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.989 4.078 9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 50 10.580 2.956 10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.887 2.321 9.377 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.346 4.978 8.719 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.813 5.332 10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.047 5.316 9.117 1.00 0.00 H new ATOM 740 N GLN A 51 9.573 2.325 13.349 1.00 0.00 N ATOM 741 CA GLN A 51 10.652 2.146 14.314 1.00 0.00 C ATOM 742 C GLN A 51 10.543 3.161 15.447 1.00 0.00 C ATOM 743 O GLN A 51 10.163 4.311 15.230 1.00 0.00 O ATOM 744 CB GLN A 51 12.009 2.279 13.623 1.00 0.00 C ATOM 745 CG GLN A 51 13.180 2.359 14.590 1.00 0.00 C ATOM 746 CD GLN A 51 14.487 2.694 13.899 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.827 3.865 13.725 1.00 0.00 O ATOM 748 NE2 GLN A 51 15.227 1.667 13.501 1.00 0.00 N ATOM 0 H GLN A 51 9.027 3.176 13.480 1.00 0.00 H new ATOM 0 HA GLN A 51 10.565 1.146 14.738 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.154 1.427 12.959 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.003 3.172 12.998 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.970 3.115 15.347 1.00 0.00 H new ATOM 0 HG3 GLN A 51 13.282 1.407 15.110 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.906 0.713 13.666 1.00 0.00 H new ATOM 0 HE22 GLN A 51 16.117 1.832 13.030 1.00 0.00 H new ATOM 757 N GLY A 52 10.879 2.727 16.659 1.00 0.00 N ATOM 758 CA GLY A 52 10.812 3.610 17.808 1.00 0.00 C ATOM 759 C GLY A 52 11.218 5.031 17.471 1.00 0.00 C ATOM 760 O GLY A 52 10.369 5.915 17.349 1.00 0.00 O ATOM 0 H GLY A 52 11.196 1.780 16.865 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.796 3.610 18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.461 3.227 18.595 1.00 0.00 H new ATOM 764 N ASP A 53 12.519 5.254 17.324 1.00 0.00 N ATOM 765 CA ASP A 53 13.037 6.578 17.002 1.00 0.00 C ATOM 766 C ASP A 53 14.277 6.476 16.118 1.00 0.00 C ATOM 767 O ASP A 53 14.782 5.383 15.865 1.00 0.00 O ATOM 768 CB ASP A 53 13.369 7.347 18.282 1.00 0.00 C ATOM 769 CG ASP A 53 13.523 8.835 18.040 1.00 0.00 C ATOM 770 OD1 ASP A 53 12.492 9.540 18.001 1.00 0.00 O ATOM 771 OD2 ASP A 53 14.674 9.296 17.893 1.00 0.00 O ATOM 0 H ASP A 53 13.235 4.534 17.423 1.00 0.00 H new ATOM 0 HA ASP A 53 12.265 7.119 16.454 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.581 7.181 19.017 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.291 6.954 18.710 1.00 0.00 H new ATOM 776 N SER A 54 14.760 7.623 15.651 1.00 0.00 N ATOM 777 CA SER A 54 15.939 7.662 14.793 1.00 0.00 C ATOM 778 C SER A 54 17.029 8.536 15.407 1.00 0.00 C ATOM 779 O SER A 54 16.826 9.164 16.446 1.00 0.00 O ATOM 780 CB SER A 54 15.567 8.191 13.406 1.00 0.00 C ATOM 781 OG SER A 54 16.550 7.841 12.447 1.00 0.00 O ATOM 0 H SER A 54 14.354 8.537 15.852 1.00 0.00 H new ATOM 0 HA SER A 54 16.323 6.646 14.697 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.601 7.786 13.106 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.460 9.275 13.443 1.00 0.00 H new ATOM 0 HG SER A 54 16.289 8.189 11.569 1.00 0.00 H new ATOM 787 N ALA A 55 18.187 8.569 14.755 1.00 0.00 N ATOM 788 CA ALA A 55 19.310 9.366 15.235 1.00 0.00 C ATOM 789 C ALA A 55 19.259 10.782 14.673 1.00 0.00 C ATOM 790 O ALA A 55 20.171 11.580 14.888 1.00 0.00 O ATOM 791 CB ALA A 55 20.626 8.697 14.866 1.00 0.00 C ATOM 0 H ALA A 55 18.372 8.054 13.894 1.00 0.00 H new ATOM 0 HA ALA A 55 19.239 9.432 16.321 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.456 9.302 15.230 1.00 0.00 H new ATOM 0 HB2 ALA A 55 20.671 7.707 15.321 1.00 0.00 H new ATOM 0 HB3 ALA A 55 20.694 8.602 13.782 1.00 0.00 H new ATOM 797 N ALA A 56 18.184 11.088 13.952 1.00 0.00 N ATOM 798 CA ALA A 56 18.013 12.409 13.360 1.00 0.00 C ATOM 799 C ALA A 56 16.598 12.589 12.821 1.00 0.00 C ATOM 800 O ALA A 56 15.894 11.614 12.565 1.00 0.00 O ATOM 801 CB ALA A 56 19.034 12.628 12.253 1.00 0.00 C ATOM 0 H ALA A 56 17.420 10.439 13.764 1.00 0.00 H new ATOM 0 HA ALA A 56 18.174 13.153 14.140 1.00 0.00 H new ATOM 0 HB1 ALA A 56 18.894 13.619 11.820 1.00 0.00 H new ATOM 0 HB2 ALA A 56 20.040 12.551 12.665 1.00 0.00 H new ATOM 0 HB3 ALA A 56 18.900 11.872 11.480 1.00 0.00 H new ATOM 807 N GLU A 57 16.190 13.843 12.651 1.00 0.00 N ATOM 808 CA GLU A 57 14.858 14.150 12.143 1.00 0.00 C ATOM 809 C GLU A 57 14.807 14.000 10.625 1.00 0.00 C ATOM 810 O GLU A 57 15.190 14.907 9.887 1.00 0.00 O ATOM 811 CB GLU A 57 14.452 15.571 12.539 1.00 0.00 C ATOM 812 CG GLU A 57 14.228 15.745 14.033 1.00 0.00 C ATOM 813 CD GLU A 57 13.320 16.917 14.353 1.00 0.00 C ATOM 814 OE1 GLU A 57 13.644 18.049 13.937 1.00 0.00 O ATOM 815 OE2 GLU A 57 12.286 16.703 15.020 1.00 0.00 O ATOM 0 H GLU A 57 16.762 14.662 12.857 1.00 0.00 H new ATOM 0 HA GLU A 57 14.157 13.442 12.585 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.226 16.266 12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.538 15.840 12.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.794 14.832 14.441 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.189 15.889 14.527 1.00 0.00 H new ATOM 822 N VAL A 58 14.330 12.847 10.167 1.00 0.00 N ATOM 823 CA VAL A 58 14.227 12.576 8.737 1.00 0.00 C ATOM 824 C VAL A 58 12.800 12.210 8.349 1.00 0.00 C ATOM 825 O VAL A 58 11.954 11.962 9.209 1.00 0.00 O ATOM 826 CB VAL A 58 15.172 11.437 8.312 1.00 0.00 C ATOM 827 CG1 VAL A 58 16.621 11.815 8.584 1.00 0.00 C ATOM 828 CG2 VAL A 58 14.806 10.147 9.028 1.00 0.00 C ATOM 0 H VAL A 58 14.009 12.086 10.765 1.00 0.00 H new ATOM 0 HA VAL A 58 14.518 13.490 8.220 1.00 0.00 H new ATOM 0 HB VAL A 58 15.059 11.276 7.240 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.274 10.998 8.277 1.00 0.00 H new ATOM 0 HG12 VAL A 58 16.875 12.713 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.754 12.005 9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.484 9.353 8.716 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.889 10.293 10.105 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.782 9.870 8.777 1.00 0.00 H new ATOM 838 N THR A 59 12.537 12.175 7.045 1.00 0.00 N ATOM 839 CA THR A 59 11.212 11.838 6.542 1.00 0.00 C ATOM 840 C THR A 59 11.303 11.020 5.259 1.00 0.00 C ATOM 841 O THR A 59 12.011 11.391 4.325 1.00 0.00 O ATOM 842 CB THR A 59 10.376 13.104 6.272 1.00 0.00 C ATOM 843 OG1 THR A 59 10.289 13.897 7.461 1.00 0.00 O ATOM 844 CG2 THR A 59 8.977 12.737 5.798 1.00 0.00 C ATOM 0 H THR A 59 13.225 12.376 6.319 1.00 0.00 H new ATOM 0 HA THR A 59 10.722 11.245 7.314 1.00 0.00 H new ATOM 0 HB THR A 59 10.870 13.678 5.488 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.757 14.700 7.280 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.405 13.646 5.614 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.045 12.158 4.877 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.478 12.143 6.564 1.00 0.00 H new ATOM 852 N GLU A 60 10.579 9.905 5.223 1.00 0.00 N ATOM 853 CA GLU A 60 10.580 9.033 4.053 1.00 0.00 C ATOM 854 C GLU A 60 9.463 9.420 3.087 1.00 0.00 C ATOM 855 O GLU A 60 8.489 10.065 3.474 1.00 0.00 O ATOM 856 CB GLU A 60 10.419 7.573 4.477 1.00 0.00 C ATOM 857 CG GLU A 60 11.095 6.588 3.538 1.00 0.00 C ATOM 858 CD GLU A 60 12.567 6.888 3.338 1.00 0.00 C ATOM 859 OE1 GLU A 60 13.267 7.121 4.346 1.00 0.00 O ATOM 860 OE2 GLU A 60 13.020 6.892 2.174 1.00 0.00 O ATOM 0 H GLU A 60 9.986 9.585 5.988 1.00 0.00 H new ATOM 0 HA GLU A 60 11.536 9.152 3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.830 7.447 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.357 7.336 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.985 5.579 3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.590 6.607 2.572 1.00 0.00 H new ATOM 867 N MET A 61 9.612 9.019 1.829 1.00 0.00 N ATOM 868 CA MET A 61 8.616 9.321 0.808 1.00 0.00 C ATOM 869 C MET A 61 8.195 8.056 0.066 1.00 0.00 C ATOM 870 O MET A 61 9.032 7.339 -0.482 1.00 0.00 O ATOM 871 CB MET A 61 9.167 10.348 -0.185 1.00 0.00 C ATOM 872 CG MET A 61 10.415 9.877 -0.914 1.00 0.00 C ATOM 873 SD MET A 61 11.022 11.090 -2.103 1.00 0.00 S ATOM 874 CE MET A 61 11.353 12.483 -1.026 1.00 0.00 C ATOM 0 H MET A 61 10.413 8.484 1.492 1.00 0.00 H new ATOM 0 HA MET A 61 7.740 9.738 1.304 1.00 0.00 H new ATOM 0 HB2 MET A 61 8.395 10.584 -0.918 1.00 0.00 H new ATOM 0 HB3 MET A 61 9.394 11.272 0.348 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.198 9.664 -0.186 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.198 8.943 -1.432 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.239 13.012 -1.377 1.00 0.00 H new ATOM 0 HE2 MET A 61 10.499 13.161 -1.035 1.00 0.00 H new ATOM 0 HE3 MET A 61 11.522 12.125 -0.010 1.00 0.00 H new ATOM 884 N ALA A 62 6.894 7.787 0.056 1.00 0.00 N ATOM 885 CA ALA A 62 6.363 6.609 -0.619 1.00 0.00 C ATOM 886 C ALA A 62 5.793 6.970 -1.987 1.00 0.00 C ATOM 887 O ALA A 62 6.109 6.330 -2.991 1.00 0.00 O ATOM 888 CB ALA A 62 5.296 5.945 0.239 1.00 0.00 C ATOM 0 H ALA A 62 6.188 8.369 0.508 1.00 0.00 H new ATOM 0 HA ALA A 62 7.183 5.907 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.908 5.067 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.731 5.643 1.192 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.483 6.649 0.418 1.00 0.00 H new ATOM 894 N HIS A 63 4.952 7.999 -2.020 1.00 0.00 N ATOM 895 CA HIS A 63 4.339 8.445 -3.266 1.00 0.00 C ATOM 896 C HIS A 63 5.356 9.167 -4.144 1.00 0.00 C ATOM 897 O HIS A 63 5.355 10.395 -4.234 1.00 0.00 O ATOM 898 CB HIS A 63 3.154 9.367 -2.975 1.00 0.00 C ATOM 899 CG HIS A 63 3.494 10.510 -2.068 1.00 0.00 C ATOM 900 ND1 HIS A 63 3.865 11.754 -2.533 1.00 0.00 N ATOM 901 CD2 HIS A 63 3.514 10.594 -0.717 1.00 0.00 C ATOM 902 CE1 HIS A 63 4.101 12.553 -1.508 1.00 0.00 C ATOM 903 NE2 HIS A 63 3.896 11.872 -0.395 1.00 0.00 N ATOM 0 H HIS A 63 4.680 8.539 -1.199 1.00 0.00 H new ATOM 0 HA HIS A 63 3.982 7.565 -3.802 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.772 9.762 -3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.351 8.783 -2.525 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.945 12.016 -3.515 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.274 9.803 -0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.409 13.586 -1.569 1.00 0.00 H new ATOM 911 N THR A 64 6.225 8.396 -4.791 1.00 0.00 N ATOM 912 CA THR A 64 7.249 8.962 -5.660 1.00 0.00 C ATOM 913 C THR A 64 7.524 8.050 -6.850 1.00 0.00 C ATOM 914 O THR A 64 7.097 6.896 -6.871 1.00 0.00 O ATOM 915 CB THR A 64 8.565 9.201 -4.897 1.00 0.00 C ATOM 916 OG1 THR A 64 8.781 8.148 -3.951 1.00 0.00 O ATOM 917 CG2 THR A 64 8.535 10.540 -4.174 1.00 0.00 C ATOM 0 H THR A 64 6.240 7.378 -4.729 1.00 0.00 H new ATOM 0 HA THR A 64 6.867 9.918 -6.018 1.00 0.00 H new ATOM 0 HB THR A 64 9.381 9.213 -5.619 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.621 8.307 -3.471 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.475 10.687 -3.642 1.00 0.00 H new ATOM 0 HG22 THR A 64 8.399 11.342 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.710 10.551 -3.462 1.00 0.00 H new ATOM 925 N GLU A 65 8.242 8.575 -7.840 1.00 0.00 N ATOM 926 CA GLU A 65 8.573 7.807 -9.033 1.00 0.00 C ATOM 927 C GLU A 65 9.358 6.549 -8.670 1.00 0.00 C ATOM 928 O GLU A 65 9.187 5.497 -9.288 1.00 0.00 O ATOM 929 CB GLU A 65 9.384 8.663 -10.009 1.00 0.00 C ATOM 930 CG GLU A 65 8.531 9.592 -10.856 1.00 0.00 C ATOM 931 CD GLU A 65 8.235 10.907 -10.161 1.00 0.00 C ATOM 932 OE1 GLU A 65 9.085 11.365 -9.370 1.00 0.00 O ATOM 933 OE2 GLU A 65 7.152 11.478 -10.410 1.00 0.00 O ATOM 0 H GLU A 65 8.605 9.528 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 65 7.640 7.508 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.105 9.257 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.955 8.007 -10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.042 9.790 -11.798 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.592 9.095 -11.101 1.00 0.00 H new ATOM 940 N THR A 66 10.219 6.666 -7.664 1.00 0.00 N ATOM 941 CA THR A 66 11.031 5.540 -7.219 1.00 0.00 C ATOM 942 C THR A 66 10.229 4.605 -6.321 1.00 0.00 C ATOM 943 O THR A 66 10.551 3.424 -6.194 1.00 0.00 O ATOM 944 CB THR A 66 12.283 6.016 -6.458 1.00 0.00 C ATOM 945 OG1 THR A 66 11.932 7.063 -5.546 1.00 0.00 O ATOM 946 CG2 THR A 66 13.347 6.514 -7.425 1.00 0.00 C ATOM 0 H THR A 66 10.372 7.529 -7.142 1.00 0.00 H new ATOM 0 HA THR A 66 11.342 5.001 -8.114 1.00 0.00 H new ATOM 0 HB THR A 66 12.688 5.170 -5.902 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.732 7.359 -5.065 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.222 6.845 -6.865 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.632 5.707 -8.099 1.00 0.00 H new ATOM 0 HG23 THR A 66 12.950 7.348 -8.004 1.00 0.00 H new ATOM 954 N GLY A 67 9.183 5.141 -5.699 1.00 0.00 N ATOM 955 CA GLY A 67 8.352 4.339 -4.821 1.00 0.00 C ATOM 956 C GLY A 67 9.117 3.805 -3.625 1.00 0.00 C ATOM 957 O GLY A 67 10.316 4.046 -3.491 1.00 0.00 O ATOM 0 H GLY A 67 8.897 6.116 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.512 4.940 -4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.935 3.504 -5.384 1.00 0.00 H new ATOM 961 N TRP A 68 8.422 3.081 -2.757 1.00 0.00 N ATOM 962 CA TRP A 68 9.044 2.512 -1.566 1.00 0.00 C ATOM 963 C TRP A 68 8.958 0.991 -1.581 1.00 0.00 C ATOM 964 O TRP A 68 7.897 0.422 -1.835 1.00 0.00 O ATOM 965 CB TRP A 68 8.374 3.063 -0.305 1.00 0.00 C ATOM 966 CG TRP A 68 9.268 3.043 0.898 1.00 0.00 C ATOM 967 CD1 TRP A 68 10.399 3.786 1.090 1.00 0.00 C ATOM 968 CD2 TRP A 68 9.107 2.242 2.073 1.00 0.00 C ATOM 969 NE1 TRP A 68 10.950 3.494 2.315 1.00 0.00 N ATOM 970 CE2 TRP A 68 10.176 2.551 2.938 1.00 0.00 C ATOM 971 CE3 TRP A 68 8.163 1.296 2.480 1.00 0.00 C ATOM 972 CZ2 TRP A 68 10.325 1.945 4.182 1.00 0.00 C ATOM 973 CZ3 TRP A 68 8.313 0.694 3.716 1.00 0.00 C ATOM 974 CH2 TRP A 68 9.386 1.021 4.555 1.00 0.00 C ATOM 0 H TRP A 68 7.428 2.873 -2.854 1.00 0.00 H new ATOM 0 HA TRP A 68 10.096 2.796 -1.563 1.00 0.00 H new ATOM 0 HB2 TRP A 68 8.050 4.087 -0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.478 2.479 -0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 68 10.800 4.497 0.384 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.798 3.912 2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 68 7.331 1.039 1.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 11.152 2.195 4.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 7.591 -0.041 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 68 9.474 0.535 5.515 1.00 0.00 H new ATOM 985 N SER A 69 10.082 0.336 -1.304 1.00 0.00 N ATOM 986 CA SER A 69 10.133 -1.122 -1.289 1.00 0.00 C ATOM 987 C SER A 69 9.540 -1.672 0.004 1.00 0.00 C ATOM 988 O SER A 69 10.075 -1.448 1.091 1.00 0.00 O ATOM 989 CB SER A 69 11.576 -1.603 -1.448 1.00 0.00 C ATOM 990 OG SER A 69 12.362 -1.236 -0.328 1.00 0.00 O ATOM 0 H SER A 69 10.969 0.791 -1.087 1.00 0.00 H new ATOM 0 HA SER A 69 9.540 -1.492 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.590 -2.686 -1.567 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.007 -1.177 -2.354 1.00 0.00 H new ATOM 0 HG SER A 69 11.776 -1.033 0.431 1.00 0.00 H new ATOM 996 N CYS A 70 8.433 -2.395 -0.121 1.00 0.00 N ATOM 997 CA CYS A 70 7.765 -2.979 1.036 1.00 0.00 C ATOM 998 C CYS A 70 8.779 -3.595 1.996 1.00 0.00 C ATOM 999 O CYS A 70 9.826 -4.090 1.576 1.00 0.00 O ATOM 1000 CB CYS A 70 6.759 -4.043 0.589 1.00 0.00 C ATOM 1001 SG CYS A 70 5.878 -3.629 -0.951 1.00 0.00 S ATOM 0 H CYS A 70 7.979 -2.591 -1.013 1.00 0.00 H new ATOM 0 HA CYS A 70 7.234 -2.182 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 70 7.283 -4.989 0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.029 -4.195 1.384 1.00 0.00 H new ATOM 1006 N HIS A 71 8.462 -3.559 3.286 1.00 0.00 N ATOM 1007 CA HIS A 71 9.344 -4.114 4.306 1.00 0.00 C ATOM 1008 C HIS A 71 9.956 -5.431 3.836 1.00 0.00 C ATOM 1009 O HIS A 71 11.110 -5.734 4.142 1.00 0.00 O ATOM 1010 CB HIS A 71 8.577 -4.333 5.611 1.00 0.00 C ATOM 1011 CG HIS A 71 9.335 -5.135 6.624 1.00 0.00 C ATOM 1012 ND1 HIS A 71 10.650 -5.140 6.945 1.00 0.00 N flip ATOM 1013 CD2 HIS A 71 8.737 -6.067 7.445 1.00 0.00 C flip ATOM 1014 CE1 HIS A 71 10.820 -6.066 7.945 1.00 0.00 C flip ATOM 1015 NE2 HIS A 71 9.651 -6.610 8.229 1.00 0.00 N flip ATOM 0 H HIS A 71 7.601 -3.151 3.650 1.00 0.00 H new ATOM 0 HA HIS A 71 10.149 -3.400 4.482 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.325 -3.364 6.042 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.637 -4.838 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.686 -6.314 7.447 1.00 0.00 H new ATOM 0 HE1 HIS A 71 11.758 -6.310 8.422 1.00 0.00 H new ATOM 0 HE2 HIS A 71 9.482 -7.328 8.934 1.00 0.00 H new ATOM 1023 N TYR A 72 9.177 -6.209 3.093 1.00 0.00 N ATOM 1024 CA TYR A 72 9.642 -7.495 2.585 1.00 0.00 C ATOM 1025 C TYR A 72 10.188 -7.353 1.168 1.00 0.00 C ATOM 1026 O TYR A 72 11.298 -7.796 0.870 1.00 0.00 O ATOM 1027 CB TYR A 72 8.504 -8.516 2.606 1.00 0.00 C ATOM 1028 CG TYR A 72 7.690 -8.490 3.879 1.00 0.00 C ATOM 1029 CD1 TYR A 72 6.680 -7.554 4.063 1.00 0.00 C ATOM 1030 CD2 TYR A 72 7.932 -9.400 4.901 1.00 0.00 C ATOM 1031 CE1 TYR A 72 5.933 -7.525 5.225 1.00 0.00 C ATOM 1032 CE2 TYR A 72 7.189 -9.380 6.066 1.00 0.00 C ATOM 1033 CZ TYR A 72 6.191 -8.440 6.223 1.00 0.00 C ATOM 1034 OH TYR A 72 5.451 -8.417 7.383 1.00 0.00 O ATOM 0 H TYR A 72 8.221 -5.972 2.829 1.00 0.00 H new ATOM 0 HA TYR A 72 10.446 -7.845 3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.844 -8.329 1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 72 8.920 -9.514 2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.475 -6.836 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.714 -10.135 4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.152 -6.790 5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.388 -10.096 6.849 1.00 0.00 H new ATOM 0 HH TYR A 72 5.760 -9.129 7.982 1.00 0.00 H new ATOM 1044 N CYS A 73 9.400 -6.734 0.295 1.00 0.00 N ATOM 1045 CA CYS A 73 9.802 -6.533 -1.091 1.00 0.00 C ATOM 1046 C CYS A 73 11.141 -5.805 -1.170 1.00 0.00 C ATOM 1047 O CYS A 73 11.346 -4.789 -0.505 1.00 0.00 O ATOM 1048 CB CYS A 73 8.732 -5.739 -1.844 1.00 0.00 C ATOM 1049 SG CYS A 73 7.266 -6.718 -2.304 1.00 0.00 S ATOM 0 H CYS A 73 8.478 -6.363 0.524 1.00 0.00 H new ATOM 0 HA CYS A 73 9.913 -7.512 -1.556 1.00 0.00 H new ATOM 0 HB2 CYS A 73 8.415 -4.899 -1.225 1.00 0.00 H new ATOM 0 HB3 CYS A 73 9.174 -5.320 -2.748 1.00 0.00 H new ATOM 1054 N ASP A 74 12.047 -6.330 -1.986 1.00 0.00 N ATOM 1055 CA ASP A 74 13.365 -5.731 -2.152 1.00 0.00 C ATOM 1056 C ASP A 74 13.891 -5.960 -3.566 1.00 0.00 C ATOM 1057 O ASP A 74 13.525 -6.931 -4.226 1.00 0.00 O ATOM 1058 CB ASP A 74 14.346 -6.308 -1.131 1.00 0.00 C ATOM 1059 CG ASP A 74 15.789 -5.999 -1.474 1.00 0.00 C ATOM 1060 OD1 ASP A 74 16.356 -6.697 -2.341 1.00 0.00 O ATOM 1061 OD2 ASP A 74 16.353 -5.060 -0.875 1.00 0.00 O ATOM 0 H ASP A 74 11.893 -7.170 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 74 13.271 -4.658 -1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.116 -5.906 -0.144 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.213 -7.388 -1.074 1.00 0.00 H new ATOM 1066 N ASN A 75 14.752 -5.057 -4.025 1.00 0.00 N ATOM 1067 CA ASN A 75 15.328 -5.160 -5.361 1.00 0.00 C ATOM 1068 C ASN A 75 16.852 -5.131 -5.301 1.00 0.00 C ATOM 1069 O ASN A 75 17.440 -4.299 -4.611 1.00 0.00 O ATOM 1070 CB ASN A 75 14.819 -4.020 -6.247 1.00 0.00 C ATOM 1071 CG ASN A 75 15.018 -2.659 -5.609 1.00 0.00 C ATOM 1072 OD1 ASN A 75 16.261 -2.193 -5.585 1.00 0.00 O flip ATOM 1073 ND2 ASN A 75 14.064 -2.035 -5.142 1.00 0.00 N flip ATOM 0 H ASN A 75 15.066 -4.246 -3.492 1.00 0.00 H new ATOM 0 HA ASN A 75 15.018 -6.112 -5.791 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.338 -4.049 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 75 13.759 -4.170 -6.454 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.126 -2.432 -5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.213 -1.121 -4.715 1.00 0.00 H new ATOM 1080 N ILE A 76 17.484 -6.046 -6.028 1.00 0.00 N ATOM 1081 CA ILE A 76 18.939 -6.125 -6.059 1.00 0.00 C ATOM 1082 C ILE A 76 19.481 -5.761 -7.437 1.00 0.00 C ATOM 1083 O ILE A 76 18.893 -6.112 -8.458 1.00 0.00 O ATOM 1084 CB ILE A 76 19.435 -7.533 -5.681 1.00 0.00 C ATOM 1085 CG1 ILE A 76 18.663 -8.596 -6.464 1.00 0.00 C ATOM 1086 CG2 ILE A 76 19.292 -7.760 -4.184 1.00 0.00 C ATOM 1087 CD1 ILE A 76 19.305 -9.966 -6.419 1.00 0.00 C ATOM 0 H ILE A 76 17.011 -6.743 -6.603 1.00 0.00 H new ATOM 0 HA ILE A 76 19.309 -5.409 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 76 20.490 -7.613 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 76 17.651 -8.665 -6.066 1.00 0.00 H new ATOM 0 HG13 ILE A 76 18.576 -8.278 -7.503 1.00 0.00 H new ATOM 0 HG21 ILE A 76 19.647 -8.759 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 76 19.883 -7.019 -3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 76 18.244 -7.665 -3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 76 18.703 -10.669 -6.995 1.00 0.00 H new ATOM 0 HD12 ILE A 76 20.307 -9.912 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 76 19.367 -10.305 -5.385 1.00 0.00 H new ATOM 1099 N ASN A 77 20.607 -5.055 -7.456 1.00 0.00 N ATOM 1100 CA ASN A 77 21.229 -4.642 -8.710 1.00 0.00 C ATOM 1101 C ASN A 77 22.648 -4.134 -8.471 1.00 0.00 C ATOM 1102 O ASN A 77 23.034 -3.846 -7.337 1.00 0.00 O ATOM 1103 CB ASN A 77 20.393 -3.555 -9.385 1.00 0.00 C ATOM 1104 CG ASN A 77 20.679 -3.445 -10.871 1.00 0.00 C ATOM 1105 OD1 ASN A 77 21.477 -2.612 -11.301 1.00 0.00 O ATOM 1106 ND2 ASN A 77 20.027 -4.288 -11.663 1.00 0.00 N ATOM 0 H ASN A 77 21.107 -4.757 -6.619 1.00 0.00 H new ATOM 0 HA ASN A 77 21.278 -5.511 -9.366 1.00 0.00 H new ATOM 0 HB2 ASN A 77 19.335 -3.769 -9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 77 20.594 -2.596 -8.907 1.00 0.00 H new ATOM 0 HD21 ASN A 77 20.179 -4.261 -12.671 1.00 0.00 H new ATOM 0 HD22 ASN A 77 19.374 -4.962 -11.263 1.00 0.00 H new ATOM 1113 N LEU A 78 23.420 -4.025 -9.547 1.00 0.00 N ATOM 1114 CA LEU A 78 24.797 -3.551 -9.455 1.00 0.00 C ATOM 1115 C LEU A 78 24.854 -2.163 -8.825 1.00 0.00 C ATOM 1116 O LEU A 78 25.545 -1.951 -7.828 1.00 0.00 O ATOM 1117 CB LEU A 78 25.438 -3.520 -10.843 1.00 0.00 C ATOM 1118 CG LEU A 78 26.939 -3.229 -10.882 1.00 0.00 C ATOM 1119 CD1 LEU A 78 27.733 -4.462 -10.480 1.00 0.00 C ATOM 1120 CD2 LEU A 78 27.355 -2.754 -12.267 1.00 0.00 C ATOM 0 H LEU A 78 23.116 -4.258 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 78 25.352 -4.241 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 78 25.262 -4.482 -11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 78 24.926 -2.766 -11.441 1.00 0.00 H new ATOM 0 HG LEU A 78 27.153 -2.435 -10.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 28.799 -4.235 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 78 27.457 -4.759 -9.468 1.00 0.00 H new ATOM 0 HD13 LEU A 78 27.513 -5.277 -11.170 1.00 0.00 H new ATOM 0 HD21 LEU A 78 28.426 -2.552 -12.276 1.00 0.00 H new ATOM 0 HD22 LEU A 78 27.126 -3.527 -13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 78 26.812 -1.843 -12.518 1.00 0.00 H new ATOM 1132 N LEU A 79 24.120 -1.223 -9.410 1.00 0.00 N ATOM 1133 CA LEU A 79 24.085 0.145 -8.903 1.00 0.00 C ATOM 1134 C LEU A 79 23.877 0.161 -7.392 1.00 0.00 C ATOM 1135 O LEU A 79 22.978 -0.500 -6.872 1.00 0.00 O ATOM 1136 CB LEU A 79 22.971 0.935 -9.591 1.00 0.00 C ATOM 1137 CG LEU A 79 21.541 0.505 -9.263 1.00 0.00 C ATOM 1138 CD1 LEU A 79 21.051 1.197 -8.001 1.00 0.00 C ATOM 1139 CD2 LEU A 79 20.612 0.803 -10.431 1.00 0.00 C ATOM 0 H LEU A 79 23.542 -1.382 -10.235 1.00 0.00 H new ATOM 0 HA LEU A 79 25.044 0.613 -9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 79 23.082 1.987 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 79 23.113 0.861 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 79 21.538 -0.571 -9.088 1.00 0.00 H new ATOM 0 HD11 LEU A 79 20.032 0.878 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 79 21.700 0.933 -7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 79 21.070 2.277 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.599 0.490 -10.179 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.620 1.873 -10.639 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.951 0.260 -11.313 1.00 0.00 H new ATOM 1151 N LEU A 80 24.713 0.922 -6.693 1.00 0.00 N ATOM 1152 CA LEU A 80 24.620 1.027 -5.241 1.00 0.00 C ATOM 1153 C LEU A 80 24.918 2.449 -4.778 1.00 0.00 C ATOM 1154 O LEU A 80 25.638 3.193 -5.445 1.00 0.00 O ATOM 1155 CB LEU A 80 25.589 0.047 -4.577 1.00 0.00 C ATOM 1156 CG LEU A 80 25.306 -0.287 -3.112 1.00 0.00 C ATOM 1157 CD1 LEU A 80 24.119 -1.233 -3.000 1.00 0.00 C ATOM 1158 CD2 LEU A 80 26.538 -0.893 -2.455 1.00 0.00 C ATOM 0 H LEU A 80 25.463 1.475 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 80 23.601 0.776 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.584 -0.881 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.596 0.459 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 80 25.058 0.637 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 80 23.932 -1.460 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.236 -0.762 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 80 24.337 -2.156 -3.537 1.00 0.00 H new ATOM 0 HD21 LEU A 80 26.318 -1.124 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 80 26.817 -1.807 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.363 -0.182 -2.502 1.00 0.00 H new ATOM 1170 N THR A 81 24.362 2.820 -3.629 1.00 0.00 N ATOM 1171 CA THR A 81 24.568 4.152 -3.076 1.00 0.00 C ATOM 1172 C THR A 81 25.987 4.645 -3.343 1.00 0.00 C ATOM 1173 O THR A 81 26.958 3.935 -3.086 1.00 0.00 O ATOM 1174 CB THR A 81 24.307 4.176 -1.558 1.00 0.00 C ATOM 1175 OG1 THR A 81 25.185 3.262 -0.894 1.00 0.00 O ATOM 1176 CG2 THR A 81 22.862 3.812 -1.252 1.00 0.00 C ATOM 0 H THR A 81 23.765 2.216 -3.063 1.00 0.00 H new ATOM 0 HA THR A 81 23.857 4.813 -3.571 1.00 0.00 H new ATOM 0 HB THR A 81 24.496 5.187 -1.196 1.00 0.00 H new ATOM 0 HG1 THR A 81 25.992 3.133 -1.434 1.00 0.00 H new ATOM 0 HG21 THR A 81 22.701 3.836 -0.174 1.00 0.00 H new ATOM 0 HG22 THR A 81 22.196 4.528 -1.734 1.00 0.00 H new ATOM 0 HG23 THR A 81 22.651 2.811 -1.628 1.00 0.00 H new ATOM 1184 N GLU A 82 26.096 5.864 -3.860 1.00 0.00 N ATOM 1185 CA GLU A 82 27.397 6.450 -4.162 1.00 0.00 C ATOM 1186 C GLU A 82 27.765 7.517 -3.134 1.00 0.00 C ATOM 1187 O GLU A 82 26.907 8.264 -2.665 1.00 0.00 O ATOM 1188 CB GLU A 82 27.392 7.060 -5.565 1.00 0.00 C ATOM 1189 CG GLU A 82 28.774 7.155 -6.192 1.00 0.00 C ATOM 1190 CD GLU A 82 28.838 8.179 -7.309 1.00 0.00 C ATOM 1191 OE1 GLU A 82 28.667 9.382 -7.022 1.00 0.00 O ATOM 1192 OE2 GLU A 82 29.060 7.776 -8.471 1.00 0.00 O ATOM 0 H GLU A 82 25.301 6.465 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 82 28.143 5.656 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 82 26.750 6.461 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 82 26.955 8.057 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.501 7.416 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU A 82 29.060 6.178 -6.583 1.00 0.00 H new ATOM 1199 N GLU A 83 29.048 7.578 -2.788 1.00 0.00 N ATOM 1200 CA GLU A 83 29.529 8.551 -1.814 1.00 0.00 C ATOM 1201 C GLU A 83 31.043 8.714 -1.910 1.00 0.00 C ATOM 1202 O GLU A 83 31.756 7.780 -2.277 1.00 0.00 O ATOM 1203 CB GLU A 83 29.141 8.123 -0.397 1.00 0.00 C ATOM 1204 CG GLU A 83 28.989 9.286 0.569 1.00 0.00 C ATOM 1205 CD GLU A 83 28.685 8.832 1.984 1.00 0.00 C ATOM 1206 OE1 GLU A 83 28.014 7.792 2.143 1.00 0.00 O ATOM 1207 OE2 GLU A 83 29.119 9.519 2.932 1.00 0.00 O ATOM 0 H GLU A 83 29.771 6.966 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 83 29.062 9.510 -2.037 1.00 0.00 H new ATOM 0 HB2 GLU A 83 28.203 7.570 -0.438 1.00 0.00 H new ATOM 0 HB3 GLU A 83 29.898 7.439 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 83 29.906 9.876 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 83 28.189 9.940 0.221 1.00 0.00 H new ATOM 1214 N SER A 84 31.527 9.906 -1.579 1.00 0.00 N ATOM 1215 CA SER A 84 32.955 10.194 -1.631 1.00 0.00 C ATOM 1216 C SER A 84 33.771 8.978 -1.199 1.00 0.00 C ATOM 1217 O SER A 84 33.457 8.330 -0.201 1.00 0.00 O ATOM 1218 CB SER A 84 33.291 11.390 -0.740 1.00 0.00 C ATOM 1219 OG SER A 84 32.951 11.131 0.612 1.00 0.00 O ATOM 0 H SER A 84 30.950 10.689 -1.271 1.00 0.00 H new ATOM 0 HA SER A 84 33.213 10.436 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 84 34.355 11.615 -0.814 1.00 0.00 H new ATOM 0 HB3 SER A 84 32.754 12.271 -1.091 1.00 0.00 H new ATOM 0 HG SER A 84 33.177 11.910 1.161 1.00 0.00 H new ATOM 1225 N GLY A 85 34.820 8.676 -1.958 1.00 0.00 N ATOM 1226 CA GLY A 85 35.665 7.540 -1.637 1.00 0.00 C ATOM 1227 C GLY A 85 37.136 7.835 -1.845 1.00 0.00 C ATOM 1228 O GLY A 85 37.718 7.499 -2.877 1.00 0.00 O ATOM 0 H GLY A 85 35.100 9.197 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 85 35.499 7.249 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.377 6.690 -2.256 1.00 0.00 H new ATOM 1232 N PRO A 86 37.762 8.479 -0.849 1.00 0.00 N ATOM 1233 CA PRO A 86 39.183 8.834 -0.905 1.00 0.00 C ATOM 1234 C PRO A 86 40.091 7.613 -0.816 1.00 0.00 C ATOM 1235 O PRO A 86 40.549 7.245 0.266 1.00 0.00 O ATOM 1236 CB PRO A 86 39.372 9.732 0.319 1.00 0.00 C ATOM 1237 CG PRO A 86 38.298 9.317 1.264 1.00 0.00 C ATOM 1238 CD PRO A 86 37.130 8.911 0.409 1.00 0.00 C ATOM 0 HA PRO A 86 39.446 9.314 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 86 40.360 9.598 0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 86 39.281 10.786 0.055 1.00 0.00 H new ATOM 0 HG2 PRO A 86 38.629 8.490 1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 86 38.028 10.135 1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 86 36.557 8.106 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 86 36.442 9.741 0.249 1.00 0.00 H new ATOM 1246 N SER A 87 40.346 6.985 -1.960 1.00 0.00 N ATOM 1247 CA SER A 87 41.196 5.802 -2.010 1.00 0.00 C ATOM 1248 C SER A 87 42.404 6.038 -2.911 1.00 0.00 C ATOM 1249 O SER A 87 42.365 6.875 -3.812 1.00 0.00 O ATOM 1250 CB SER A 87 40.399 4.596 -2.511 1.00 0.00 C ATOM 1251 OG SER A 87 40.901 3.390 -1.962 1.00 0.00 O ATOM 0 H SER A 87 39.976 7.276 -2.865 1.00 0.00 H new ATOM 0 HA SER A 87 41.553 5.599 -1.000 1.00 0.00 H new ATOM 0 HB2 SER A 87 39.349 4.713 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 87 40.446 4.551 -3.599 1.00 0.00 H new ATOM 0 HG SER A 87 40.374 2.634 -2.296 1.00 0.00 H new ATOM 1257 N SER A 88 43.477 5.294 -2.660 1.00 0.00 N ATOM 1258 CA SER A 88 44.698 5.424 -3.446 1.00 0.00 C ATOM 1259 C SER A 88 44.375 5.719 -4.907 1.00 0.00 C ATOM 1260 O SER A 88 43.749 4.911 -5.591 1.00 0.00 O ATOM 1261 CB SER A 88 45.533 4.146 -3.344 1.00 0.00 C ATOM 1262 OG SER A 88 46.663 4.206 -4.198 1.00 0.00 O ATOM 0 H SER A 88 43.525 4.595 -1.919 1.00 0.00 H new ATOM 0 HA SER A 88 45.273 6.258 -3.044 1.00 0.00 H new ATOM 0 HB2 SER A 88 45.859 4.002 -2.314 1.00 0.00 H new ATOM 0 HB3 SER A 88 44.919 3.285 -3.608 1.00 0.00 H new ATOM 0 HG SER A 88 47.181 3.379 -4.114 1.00 0.00 H new ATOM 1268 N GLY A 89 44.808 6.886 -5.379 1.00 0.00 N ATOM 1269 CA GLY A 89 44.556 7.268 -6.755 1.00 0.00 C ATOM 1270 C GLY A 89 44.559 8.771 -6.949 1.00 0.00 C ATOM 1271 O GLY A 89 44.556 9.502 -5.961 1.00 0.00 O ATOM 0 H GLY A 89 45.328 7.572 -4.832 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.314 6.820 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 89 43.593 6.866 -7.070 1.00 0.00 H new TER 1275 GLY A 89 HETATM 1276 ZN ZN A 201 -4.831 3.171 7.852 1.00 0.00 ZN HETATM 1277 ZN ZN A 401 5.221 -5.707 -1.768 1.00 0.00 ZN