USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 26 SER OG : rot -110:sc= 0.239 USER MOD Set 1.2: A 31 TYR OH : rot 55:sc= -0.549 USER MOD Set 2.1: A 9 THR OG1 : rot -116:sc= 1.06 USER MOD Set 2.2: A 14 LYS NZ :NH3+ -141:sc= 1.17 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -162:sc= -0.0157 (180deg=-0.307) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.0161 F(o=-0.79,f=-0.016) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= -0.828 (180deg=-0.897) USER MOD Single : A 25 ASN : amide:sc= -0.79 X(o=-0.79,f=-0.5) USER MOD Single : A 27 ASN : amide:sc= -0.21 K(o=-0.21,f=-5.4!) USER MOD Single : A 34 GLN : amide:sc= -0.0183 K(o=-0.018,f=-0.6) USER MOD Single : A 40 GLN : amide:sc= -0.919 X(o=-0.92,f=-0.51) USER MOD Single : A 43 GLN : amide:sc= -0.621 K(o=-0.62,f=-1.1) USER MOD Single : A 44 GLN : amide:sc= -0.776! C(o=-0.78!,f=-3.3!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 141:sc= 1.2 (180deg=-0.0327) USER MOD Single : A 58 TYR OH : rot 60:sc= 1.14 USER MOD Single : A 64 GLN : amide:sc= -0.135 K(o=-0.14,f=-2.2!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 27:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.395 -24.371 -13.105 1.00 0.00 N ATOM 2 CA MET A 1 13.575 -24.167 -12.217 1.00 0.00 C ATOM 3 C MET A 1 13.251 -23.088 -11.181 1.00 0.00 C ATOM 4 O MET A 1 13.279 -23.331 -9.989 1.00 0.00 O ATOM 5 CB MET A 1 14.779 -23.726 -13.057 1.00 0.00 C ATOM 6 CG MET A 1 15.231 -24.881 -13.955 1.00 0.00 C ATOM 7 SD MET A 1 16.652 -24.352 -14.945 1.00 0.00 S ATOM 8 CE MET A 1 16.787 -25.841 -15.965 1.00 0.00 C ATOM 0 H1 MET A 1 12.484 -25.283 -13.597 1.00 0.00 H new ATOM 0 H2 MET A 1 11.526 -24.369 -12.534 1.00 0.00 H new ATOM 0 H3 MET A 1 12.350 -23.603 -13.805 1.00 0.00 H new ATOM 0 HA MET A 1 13.813 -25.101 -11.708 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.513 -22.862 -13.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.596 -23.418 -12.405 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.499 -25.745 -13.347 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.414 -25.190 -14.607 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.617 -25.730 -16.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.964 -26.706 -15.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.862 -25.985 -16.522 1.00 0.00 H new ATOM 18 N ALA A 2 12.944 -21.897 -11.626 1.00 0.00 N ATOM 19 CA ALA A 2 12.616 -20.798 -10.672 1.00 0.00 C ATOM 20 C ALA A 2 11.244 -21.060 -10.044 1.00 0.00 C ATOM 21 O ALA A 2 10.237 -21.095 -10.724 1.00 0.00 O ATOM 22 CB ALA A 2 12.590 -19.464 -11.421 1.00 0.00 C ATOM 0 H ALA A 2 12.906 -21.638 -12.612 1.00 0.00 H new ATOM 0 HA ALA A 2 13.372 -20.759 -9.888 1.00 0.00 H new ATOM 0 HB1 ALA A 2 12.350 -18.660 -10.725 1.00 0.00 H new ATOM 0 HB2 ALA A 2 13.567 -19.278 -11.867 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.834 -19.502 -12.205 1.00 0.00 H new ATOM 28 N ASN A 3 11.200 -21.245 -8.750 1.00 0.00 N ATOM 29 CA ASN A 3 9.898 -21.504 -8.072 1.00 0.00 C ATOM 30 C ASN A 3 9.118 -20.192 -7.949 1.00 0.00 C ATOM 31 O ASN A 3 9.310 -19.428 -7.022 1.00 0.00 O ATOM 32 CB ASN A 3 10.155 -22.085 -6.678 1.00 0.00 C ATOM 33 CG ASN A 3 10.736 -23.494 -6.810 1.00 0.00 C ATOM 34 OD1 ASN A 3 11.943 -23.647 -7.283 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 10.087 -24.466 -6.482 1.00 0.00 N flip ATOM 0 H ASN A 3 12.012 -21.228 -8.133 1.00 0.00 H new ATOM 0 HA ASN A 3 9.316 -22.216 -8.657 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.846 -21.446 -6.128 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.226 -22.115 -6.108 1.00 0.00 H new ATOM 0 HD21 ASN A 3 9.144 -24.348 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.485 -25.400 -6.576 1.00 0.00 H new ATOM 42 N ALA A 4 8.241 -19.926 -8.880 1.00 0.00 N ATOM 43 CA ALA A 4 7.446 -18.665 -8.828 1.00 0.00 C ATOM 44 C ALA A 4 6.470 -18.717 -7.651 1.00 0.00 C ATOM 45 O ALA A 4 6.097 -17.699 -7.099 1.00 0.00 O ATOM 46 CB ALA A 4 6.661 -18.503 -10.133 1.00 0.00 C ATOM 0 H ALA A 4 8.040 -20.530 -9.677 1.00 0.00 H new ATOM 0 HA ALA A 4 8.121 -17.819 -8.699 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.080 -17.582 -10.096 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.355 -18.461 -10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.989 -19.351 -10.261 1.00 0.00 H new ATOM 52 N LEU A 5 6.053 -19.897 -7.262 1.00 0.00 N ATOM 53 CA LEU A 5 5.098 -20.026 -6.120 1.00 0.00 C ATOM 54 C LEU A 5 3.856 -19.169 -6.398 1.00 0.00 C ATOM 55 O LEU A 5 3.542 -18.254 -5.662 1.00 0.00 O ATOM 56 CB LEU A 5 5.780 -19.558 -4.827 1.00 0.00 C ATOM 57 CG LEU A 5 5.030 -20.119 -3.614 1.00 0.00 C ATOM 58 CD1 LEU A 5 5.544 -21.524 -3.292 1.00 0.00 C ATOM 59 CD2 LEU A 5 5.260 -19.205 -2.405 1.00 0.00 C ATOM 0 H LEU A 5 6.335 -20.779 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 5 4.798 -21.068 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.818 -19.891 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.794 -18.469 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 5 3.965 -20.167 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.008 -21.919 -2.429 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.381 -22.176 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.610 -21.479 -3.068 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.727 -19.603 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.326 -19.157 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.891 -18.204 -2.630 1.00 0.00 H new ATOM 71 N ALA A 6 3.156 -19.461 -7.467 1.00 0.00 N ATOM 72 CA ALA A 6 1.934 -18.673 -7.820 1.00 0.00 C ATOM 73 C ALA A 6 2.337 -17.252 -8.233 1.00 0.00 C ATOM 74 O ALA A 6 1.501 -16.442 -8.585 1.00 0.00 O ATOM 75 CB ALA A 6 0.988 -18.612 -6.614 1.00 0.00 C ATOM 0 H ALA A 6 3.380 -20.217 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 6 1.423 -19.159 -8.651 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.100 -18.037 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.695 -19.623 -6.330 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.496 -18.133 -5.777 1.00 0.00 H new ATOM 81 N SER A 7 3.612 -16.950 -8.196 1.00 0.00 N ATOM 82 CA SER A 7 4.090 -15.587 -8.584 1.00 0.00 C ATOM 83 C SER A 7 3.513 -14.539 -7.628 1.00 0.00 C ATOM 84 O SER A 7 2.660 -14.828 -6.810 1.00 0.00 O ATOM 85 CB SER A 7 3.651 -15.272 -10.019 1.00 0.00 C ATOM 86 OG SER A 7 3.786 -16.439 -10.820 1.00 0.00 O ATOM 0 H SER A 7 4.348 -17.596 -7.911 1.00 0.00 H new ATOM 0 HA SER A 7 5.178 -15.563 -8.526 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.616 -14.929 -10.028 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.258 -14.464 -10.428 1.00 0.00 H new ATOM 0 HG SER A 7 3.504 -16.240 -11.737 1.00 0.00 H new ATOM 92 N ALA A 8 3.974 -13.320 -7.725 1.00 0.00 N ATOM 93 CA ALA A 8 3.457 -12.246 -6.827 1.00 0.00 C ATOM 94 C ALA A 8 2.174 -11.658 -7.425 1.00 0.00 C ATOM 95 O ALA A 8 1.774 -12.007 -8.520 1.00 0.00 O ATOM 96 CB ALA A 8 4.513 -11.146 -6.691 1.00 0.00 C ATOM 0 H ALA A 8 4.688 -13.021 -8.389 1.00 0.00 H new ATOM 0 HA ALA A 8 3.240 -12.663 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.138 -10.360 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.425 -11.567 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.730 -10.726 -7.673 1.00 0.00 H new ATOM 102 N THR A 9 1.529 -10.768 -6.714 1.00 0.00 N ATOM 103 CA THR A 9 0.272 -10.156 -7.239 1.00 0.00 C ATOM 104 C THR A 9 0.370 -8.629 -7.163 1.00 0.00 C ATOM 105 O THR A 9 1.150 -8.083 -6.407 1.00 0.00 O ATOM 106 CB THR A 9 -0.919 -10.636 -6.401 1.00 0.00 C ATOM 107 OG1 THR A 9 -0.651 -10.407 -5.025 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.149 -12.131 -6.635 1.00 0.00 C ATOM 0 H THR A 9 1.819 -10.439 -5.793 1.00 0.00 H new ATOM 0 HA THR A 9 0.131 -10.456 -8.277 1.00 0.00 H new ATOM 0 HB THR A 9 -1.812 -10.085 -6.696 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.607 -11.265 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.996 -12.467 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.357 -12.306 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.257 -12.686 -6.344 1.00 0.00 H new ATOM 116 N CYS A 10 -0.414 -7.941 -7.955 1.00 0.00 N ATOM 117 CA CYS A 10 -0.375 -6.445 -7.962 1.00 0.00 C ATOM 118 C CYS A 10 -0.756 -5.884 -6.588 1.00 0.00 C ATOM 119 O CYS A 10 -1.278 -6.576 -5.740 1.00 0.00 O ATOM 120 CB CYS A 10 -1.347 -5.928 -9.019 1.00 0.00 C ATOM 121 SG CYS A 10 -1.027 -4.178 -9.353 1.00 0.00 S ATOM 0 H CYS A 10 -1.085 -8.355 -8.602 1.00 0.00 H new ATOM 0 HA CYS A 10 0.638 -6.117 -8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.241 -6.507 -9.936 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.373 -6.059 -8.676 1.00 0.00 H new ATOM 126 N GLU A 11 -0.478 -4.630 -6.366 1.00 0.00 N ATOM 127 CA GLU A 11 -0.793 -4.004 -5.050 1.00 0.00 C ATOM 128 C GLU A 11 -2.251 -3.529 -5.017 1.00 0.00 C ATOM 129 O GLU A 11 -3.007 -3.878 -4.130 1.00 0.00 O ATOM 130 CB GLU A 11 0.144 -2.808 -4.845 1.00 0.00 C ATOM 131 CG GLU A 11 -0.388 -1.903 -3.722 1.00 0.00 C ATOM 132 CD GLU A 11 -1.182 -0.734 -4.320 1.00 0.00 C ATOM 133 OE1 GLU A 11 -0.670 -0.088 -5.221 1.00 0.00 O ATOM 134 OE2 GLU A 11 -2.290 -0.503 -3.864 1.00 0.00 O ATOM 0 H GLU A 11 -0.042 -4.006 -7.045 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.653 -4.736 -4.255 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.145 -3.160 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.228 -2.239 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.024 -2.479 -3.050 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.442 -1.523 -3.127 1.00 0.00 H new ATOM 141 N ARG A 12 -2.641 -2.714 -5.960 1.00 0.00 N ATOM 142 CA ARG A 12 -4.039 -2.184 -5.972 1.00 0.00 C ATOM 143 C ARG A 12 -5.006 -3.188 -6.604 1.00 0.00 C ATOM 144 O ARG A 12 -6.199 -3.128 -6.377 1.00 0.00 O ATOM 145 CB ARG A 12 -4.066 -0.883 -6.780 1.00 0.00 C ATOM 146 CG ARG A 12 -3.776 -1.179 -8.258 1.00 0.00 C ATOM 147 CD ARG A 12 -4.991 -0.800 -9.112 1.00 0.00 C ATOM 148 NE ARG A 12 -6.063 -1.825 -8.942 1.00 0.00 N ATOM 149 CZ ARG A 12 -7.285 -1.572 -9.330 1.00 0.00 C ATOM 150 NH1 ARG A 12 -7.579 -0.422 -9.874 1.00 0.00 N ATOM 151 NH2 ARG A 12 -8.214 -2.473 -9.174 1.00 0.00 N ATOM 0 H ARG A 12 -2.051 -2.390 -6.726 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.354 -2.006 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.040 -0.403 -6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.326 -0.186 -6.388 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.901 -0.618 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.544 -2.236 -8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.363 0.182 -8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.703 -0.731 -10.161 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.841 -2.727 -8.521 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.853 0.284 -9.998 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.534 -0.230 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.986 -3.372 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.169 -2.279 -9.476 1.00 0.00 H new ATOM 165 N CYS A 13 -4.517 -4.088 -7.416 1.00 0.00 N ATOM 166 CA CYS A 13 -5.432 -5.064 -8.078 1.00 0.00 C ATOM 167 C CYS A 13 -5.114 -6.496 -7.633 1.00 0.00 C ATOM 168 O CYS A 13 -5.924 -7.390 -7.794 1.00 0.00 O ATOM 169 CB CYS A 13 -5.276 -4.936 -9.598 1.00 0.00 C ATOM 170 SG CYS A 13 -4.159 -6.218 -10.212 1.00 0.00 S ATOM 0 H CYS A 13 -3.529 -4.189 -7.649 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.460 -4.845 -7.791 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.249 -5.027 -10.081 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.886 -3.950 -9.851 1.00 0.00 H new ATOM 175 N LYS A 14 -3.950 -6.728 -7.077 1.00 0.00 N ATOM 176 CA LYS A 14 -3.594 -8.108 -6.628 1.00 0.00 C ATOM 177 C LYS A 14 -3.751 -9.083 -7.794 1.00 0.00 C ATOM 178 O LYS A 14 -4.230 -10.190 -7.634 1.00 0.00 O ATOM 179 CB LYS A 14 -4.505 -8.528 -5.467 1.00 0.00 C ATOM 180 CG LYS A 14 -4.300 -7.581 -4.278 1.00 0.00 C ATOM 181 CD LYS A 14 -3.012 -7.952 -3.533 1.00 0.00 C ATOM 182 CE LYS A 14 -3.256 -9.183 -2.655 1.00 0.00 C ATOM 183 NZ LYS A 14 -2.142 -10.155 -2.844 1.00 0.00 N ATOM 0 H LYS A 14 -3.232 -6.021 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.558 -8.121 -6.288 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.547 -8.507 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.282 -9.553 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.244 -6.550 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.153 -7.642 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.214 -8.156 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.683 -7.115 -2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.323 -8.889 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.207 -9.647 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.523 -11.123 -2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.664 -9.964 -3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.460 -10.058 -2.064 1.00 0.00 H new ATOM 197 N GLY A 15 -3.339 -8.681 -8.968 1.00 0.00 N ATOM 198 CA GLY A 15 -3.452 -9.581 -10.148 1.00 0.00 C ATOM 199 C GLY A 15 -2.169 -10.399 -10.270 1.00 0.00 C ATOM 200 O GLY A 15 -1.086 -9.854 -10.375 1.00 0.00 O ATOM 0 H GLY A 15 -2.929 -7.767 -9.158 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.312 -10.242 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.614 -8.997 -11.054 1.00 0.00 H new ATOM 204 N GLY A 16 -2.279 -11.701 -10.249 1.00 0.00 N ATOM 205 CA GLY A 16 -1.063 -12.558 -10.357 1.00 0.00 C ATOM 206 C GLY A 16 -0.320 -12.230 -11.651 1.00 0.00 C ATOM 207 O GLY A 16 -0.737 -12.605 -12.730 1.00 0.00 O ATOM 0 H GLY A 16 -3.160 -12.208 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.411 -12.392 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.345 -13.611 -10.344 1.00 0.00 H new ATOM 211 N PHE A 17 0.777 -11.528 -11.548 1.00 0.00 N ATOM 212 CA PHE A 17 1.560 -11.165 -12.767 1.00 0.00 C ATOM 213 C PHE A 17 2.939 -11.832 -12.724 1.00 0.00 C ATOM 214 O PHE A 17 3.217 -12.650 -11.869 1.00 0.00 O ATOM 215 CB PHE A 17 1.715 -9.635 -12.865 1.00 0.00 C ATOM 216 CG PHE A 17 1.954 -9.001 -11.502 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.529 -9.734 -10.452 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.611 -7.655 -11.298 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.753 -9.125 -9.215 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.842 -7.051 -10.062 1.00 0.00 C ATOM 221 CZ PHE A 17 2.412 -7.787 -9.021 1.00 0.00 C ATOM 0 H PHE A 17 1.167 -11.189 -10.669 1.00 0.00 H new ATOM 0 HA PHE A 17 1.023 -11.520 -13.647 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.547 -9.396 -13.528 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.818 -9.207 -13.312 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.798 -10.769 -10.601 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.167 -7.085 -12.101 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.191 -9.692 -8.407 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.580 -6.014 -9.910 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.589 -7.319 -8.064 1.00 0.00 H new ATOM 231 N ALA A 18 3.803 -11.491 -13.648 1.00 0.00 N ATOM 232 CA ALA A 18 5.164 -12.106 -13.671 1.00 0.00 C ATOM 233 C ALA A 18 6.037 -11.424 -14.741 1.00 0.00 C ATOM 234 O ALA A 18 7.106 -10.936 -14.429 1.00 0.00 O ATOM 235 CB ALA A 18 5.052 -13.607 -13.971 1.00 0.00 C ATOM 0 H ALA A 18 3.623 -10.812 -14.388 1.00 0.00 H new ATOM 0 HA ALA A 18 5.630 -11.968 -12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.048 -14.050 -13.987 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.452 -14.089 -13.199 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.576 -13.750 -14.941 1.00 0.00 H new ATOM 241 N PRO A 19 5.567 -11.408 -15.976 1.00 0.00 N ATOM 242 CA PRO A 19 6.317 -10.784 -17.087 1.00 0.00 C ATOM 243 C PRO A 19 6.590 -9.307 -16.784 1.00 0.00 C ATOM 244 O PRO A 19 5.786 -8.632 -16.178 1.00 0.00 O ATOM 245 CB PRO A 19 5.405 -10.930 -18.313 1.00 0.00 C ATOM 246 CG PRO A 19 4.144 -11.714 -17.871 1.00 0.00 C ATOM 247 CD PRO A 19 4.271 -11.999 -16.365 1.00 0.00 C ATOM 0 HA PRO A 19 7.288 -11.254 -17.245 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.129 -9.950 -18.703 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.922 -11.458 -19.114 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.243 -11.135 -18.076 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.058 -12.646 -18.430 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.449 -11.551 -15.807 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.248 -13.070 -16.162 1.00 0.00 H new ATOM 255 N ALA A 20 7.725 -8.806 -17.202 1.00 0.00 N ATOM 256 CA ALA A 20 8.069 -7.375 -16.941 1.00 0.00 C ATOM 257 C ALA A 20 6.971 -6.453 -17.484 1.00 0.00 C ATOM 258 O ALA A 20 6.840 -5.319 -17.067 1.00 0.00 O ATOM 259 CB ALA A 20 9.396 -7.041 -17.625 1.00 0.00 C ATOM 0 H ALA A 20 8.433 -9.330 -17.716 1.00 0.00 H new ATOM 0 HA ALA A 20 8.156 -7.223 -15.865 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.650 -5.998 -17.437 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.182 -7.683 -17.228 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.303 -7.204 -18.699 1.00 0.00 H new ATOM 265 N GLU A 21 6.179 -6.932 -18.408 1.00 0.00 N ATOM 266 CA GLU A 21 5.089 -6.086 -18.974 1.00 0.00 C ATOM 267 C GLU A 21 3.937 -6.027 -17.974 1.00 0.00 C ATOM 268 O GLU A 21 3.268 -5.021 -17.837 1.00 0.00 O ATOM 269 CB GLU A 21 4.589 -6.698 -20.288 1.00 0.00 C ATOM 270 CG GLU A 21 5.780 -7.141 -21.146 1.00 0.00 C ATOM 271 CD GLU A 21 6.099 -8.613 -20.867 1.00 0.00 C ATOM 272 OE1 GLU A 21 5.371 -9.460 -21.359 1.00 0.00 O ATOM 273 OE2 GLU A 21 7.063 -8.867 -20.164 1.00 0.00 O ATOM 0 H GLU A 21 6.241 -7.874 -18.795 1.00 0.00 H new ATOM 0 HA GLU A 21 5.468 -5.082 -19.166 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.943 -7.551 -20.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.989 -5.970 -20.833 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.551 -7.003 -22.203 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.650 -6.522 -20.925 1.00 0.00 H new ATOM 280 N LYS A 22 3.707 -7.105 -17.272 1.00 0.00 N ATOM 281 CA LYS A 22 2.601 -7.131 -16.275 1.00 0.00 C ATOM 282 C LYS A 22 3.170 -6.890 -14.875 1.00 0.00 C ATOM 283 O LYS A 22 2.476 -6.446 -13.982 1.00 0.00 O ATOM 284 CB LYS A 22 1.911 -8.498 -16.319 1.00 0.00 C ATOM 285 CG LYS A 22 1.455 -8.796 -17.752 1.00 0.00 C ATOM 286 CD LYS A 22 0.647 -10.097 -17.776 1.00 0.00 C ATOM 287 CE LYS A 22 0.326 -10.477 -19.225 1.00 0.00 C ATOM 288 NZ LYS A 22 1.561 -10.972 -19.897 1.00 0.00 N ATOM 0 H LYS A 22 4.241 -7.971 -17.348 1.00 0.00 H new ATOM 0 HA LYS A 22 1.878 -6.350 -16.511 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.595 -9.274 -15.975 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.055 -8.507 -15.645 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.848 -7.973 -18.130 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.320 -8.882 -18.409 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.212 -10.896 -17.297 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.276 -9.974 -17.209 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.446 -11.246 -19.247 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.070 -9.613 -19.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.362 -11.149 -20.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.312 -10.257 -19.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.872 -11.855 -19.445 1.00 0.00 H new ATOM 302 N ILE A 23 4.428 -7.183 -14.677 1.00 0.00 N ATOM 303 CA ILE A 23 5.048 -6.978 -13.337 1.00 0.00 C ATOM 304 C ILE A 23 5.839 -5.667 -13.333 1.00 0.00 C ATOM 305 O ILE A 23 6.737 -5.465 -14.130 1.00 0.00 O ATOM 306 CB ILE A 23 5.977 -8.172 -13.018 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.390 -8.980 -11.855 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.385 -7.692 -12.636 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.383 -8.134 -10.576 1.00 0.00 C ATOM 0 H ILE A 23 5.055 -7.557 -15.390 1.00 0.00 H new ATOM 0 HA ILE A 23 4.272 -6.919 -12.574 1.00 0.00 H new ATOM 0 HB ILE A 23 6.052 -8.793 -13.910 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.375 -9.296 -12.097 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.977 -9.885 -11.698 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.016 -8.553 -12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.815 -7.129 -13.464 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.325 -7.053 -11.755 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.964 -8.717 -9.756 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.403 -7.840 -10.328 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.777 -7.242 -10.733 1.00 0.00 H new ATOM 321 N VAL A 24 5.519 -4.784 -12.426 1.00 0.00 N ATOM 322 CA VAL A 24 6.255 -3.491 -12.334 1.00 0.00 C ATOM 323 C VAL A 24 6.457 -3.175 -10.858 1.00 0.00 C ATOM 324 O VAL A 24 5.508 -3.065 -10.109 1.00 0.00 O ATOM 325 CB VAL A 24 5.450 -2.355 -12.984 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.397 -1.211 -13.360 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.744 -2.865 -14.246 1.00 0.00 C ATOM 0 H VAL A 24 4.774 -4.904 -11.740 1.00 0.00 H new ATOM 0 HA VAL A 24 7.208 -3.577 -12.856 1.00 0.00 H new ATOM 0 HB VAL A 24 4.702 -1.998 -12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.828 -0.404 -13.821 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.892 -0.839 -12.463 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.146 -1.575 -14.063 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.176 -2.052 -14.699 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.486 -3.229 -14.956 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.067 -3.677 -13.981 1.00 0.00 H new ATOM 337 N ASN A 25 7.678 -3.037 -10.428 1.00 0.00 N ATOM 338 CA ASN A 25 7.927 -2.732 -8.993 1.00 0.00 C ATOM 339 C ASN A 25 8.544 -1.342 -8.880 1.00 0.00 C ATOM 340 O ASN A 25 9.247 -0.889 -9.763 1.00 0.00 O ATOM 341 CB ASN A 25 8.867 -3.781 -8.400 1.00 0.00 C ATOM 342 CG ASN A 25 9.578 -3.214 -7.166 1.00 0.00 C ATOM 343 OD1 ASN A 25 10.775 -3.015 -7.179 1.00 0.00 O ATOM 344 ND2 ASN A 25 8.885 -2.940 -6.095 1.00 0.00 N ATOM 0 H ASN A 25 8.514 -3.122 -11.007 1.00 0.00 H new ATOM 0 HA ASN A 25 6.988 -2.754 -8.440 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.303 -4.673 -8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.602 -4.085 -9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.349 -2.559 -5.271 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.879 -3.107 -6.082 1.00 0.00 H new ATOM 351 N SER A 26 8.275 -0.662 -7.803 1.00 0.00 N ATOM 352 CA SER A 26 8.829 0.704 -7.627 1.00 0.00 C ATOM 353 C SER A 26 9.007 0.987 -6.133 1.00 0.00 C ATOM 354 O SER A 26 8.060 0.949 -5.368 1.00 0.00 O ATOM 355 CB SER A 26 7.859 1.714 -8.244 1.00 0.00 C ATOM 356 OG SER A 26 6.861 2.052 -7.291 1.00 0.00 O ATOM 0 H SER A 26 7.693 -0.996 -7.035 1.00 0.00 H new ATOM 0 HA SER A 26 9.797 0.786 -8.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.398 2.609 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.397 1.293 -9.137 1.00 0.00 H new ATOM 0 HG SER A 26 6.000 1.677 -7.572 1.00 0.00 H new ATOM 362 N ASN A 27 10.217 1.264 -5.715 1.00 0.00 N ATOM 363 CA ASN A 27 10.481 1.551 -4.271 1.00 0.00 C ATOM 364 C ASN A 27 10.323 0.269 -3.445 1.00 0.00 C ATOM 365 O ASN A 27 11.117 -0.019 -2.571 1.00 0.00 O ATOM 366 CB ASN A 27 9.497 2.614 -3.770 1.00 0.00 C ATOM 367 CG ASN A 27 10.191 3.520 -2.751 1.00 0.00 C ATOM 368 OD1 ASN A 27 10.379 3.142 -1.613 1.00 0.00 O ATOM 369 ND2 ASN A 27 10.579 4.711 -3.115 1.00 0.00 N ATOM 0 H ASN A 27 11.040 1.304 -6.317 1.00 0.00 H new ATOM 0 HA ASN A 27 11.500 1.921 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.130 3.207 -4.608 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.630 2.135 -3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.040 5.325 -2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.421 5.029 -4.071 1.00 0.00 H new ATOM 376 N GLY A 28 9.303 -0.497 -3.718 1.00 0.00 N ATOM 377 CA GLY A 28 9.081 -1.761 -2.957 1.00 0.00 C ATOM 378 C GLY A 28 7.684 -2.309 -3.263 1.00 0.00 C ATOM 379 O GLY A 28 7.424 -3.486 -3.107 1.00 0.00 O ATOM 0 H GLY A 28 8.609 -0.301 -4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.838 -2.497 -3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.183 -1.576 -1.888 1.00 0.00 H new ATOM 383 N GLU A 29 6.785 -1.465 -3.700 1.00 0.00 N ATOM 384 CA GLU A 29 5.402 -1.937 -4.017 1.00 0.00 C ATOM 385 C GLU A 29 5.372 -2.519 -5.434 1.00 0.00 C ATOM 386 O GLU A 29 6.284 -2.324 -6.213 1.00 0.00 O ATOM 387 CB GLU A 29 4.430 -0.758 -3.938 1.00 0.00 C ATOM 388 CG GLU A 29 3.387 -1.004 -2.846 1.00 0.00 C ATOM 389 CD GLU A 29 2.370 0.143 -2.849 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.832 0.430 -3.906 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.148 0.715 -1.796 1.00 0.00 O ATOM 0 H GLU A 29 6.948 -0.470 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 29 5.109 -2.703 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.978 0.161 -3.727 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.935 -0.621 -4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.881 -1.954 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.872 -1.072 -1.872 1.00 0.00 H new ATOM 398 N LEU A 30 4.325 -3.231 -5.770 1.00 0.00 N ATOM 399 CA LEU A 30 4.224 -3.832 -7.134 1.00 0.00 C ATOM 400 C LEU A 30 3.008 -3.251 -7.861 1.00 0.00 C ATOM 401 O LEU A 30 1.978 -3.002 -7.265 1.00 0.00 O ATOM 402 CB LEU A 30 4.051 -5.347 -7.006 1.00 0.00 C ATOM 403 CG LEU A 30 5.395 -6.051 -7.219 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.440 -5.491 -6.250 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.229 -7.554 -6.968 1.00 0.00 C ATOM 0 H LEU A 30 3.534 -3.422 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 30 5.130 -3.607 -7.697 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.655 -5.594 -6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.326 -5.701 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 30 5.727 -5.881 -8.243 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.392 -5.998 -6.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.564 -4.422 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.109 -5.654 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.185 -8.056 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.892 -7.717 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.492 -7.960 -7.662 1.00 0.00 H new ATOM 417 N TYR A 31 3.118 -3.041 -9.147 1.00 0.00 N ATOM 418 CA TYR A 31 1.969 -2.483 -9.922 1.00 0.00 C ATOM 419 C TYR A 31 1.967 -3.070 -11.334 1.00 0.00 C ATOM 420 O TYR A 31 2.973 -3.534 -11.833 1.00 0.00 O ATOM 421 CB TYR A 31 2.089 -0.951 -10.049 1.00 0.00 C ATOM 422 CG TYR A 31 2.825 -0.350 -8.870 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.202 -0.560 -8.716 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.131 0.441 -7.947 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.882 0.019 -7.641 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.811 1.018 -6.869 1.00 0.00 C ATOM 427 CZ TYR A 31 4.187 0.809 -6.718 1.00 0.00 C ATOM 428 OH TYR A 31 4.861 1.387 -5.662 1.00 0.00 O ATOM 0 H TYR A 31 3.956 -3.232 -9.696 1.00 0.00 H new ATOM 0 HA TYR A 31 1.051 -2.739 -9.393 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.613 -0.702 -10.971 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.094 -0.512 -10.120 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.738 -1.170 -9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.070 0.606 -8.067 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.943 -0.143 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.275 1.624 -6.154 1.00 0.00 H new ATOM 0 HH TYR A 31 5.612 1.915 -6.003 1.00 0.00 H new ATOM 438 N HIS A 32 0.841 -3.007 -11.989 1.00 0.00 N ATOM 439 CA HIS A 32 0.739 -3.502 -13.391 1.00 0.00 C ATOM 440 C HIS A 32 1.036 -2.320 -14.303 1.00 0.00 C ATOM 441 O HIS A 32 1.189 -1.203 -13.845 1.00 0.00 O ATOM 442 CB HIS A 32 -0.693 -3.965 -13.682 1.00 0.00 C ATOM 443 CG HIS A 32 -0.842 -5.436 -13.429 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.569 -5.917 -12.360 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.396 -6.539 -14.111 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.544 -7.260 -12.423 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.844 -7.691 -13.475 1.00 0.00 N ATOM 0 H HIS A 32 -0.025 -2.628 -11.607 1.00 0.00 H new ATOM 0 HA HIS A 32 1.429 -4.332 -13.547 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.393 -3.412 -13.056 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.948 -3.743 -14.718 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.210 -6.516 -15.005 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.030 -7.910 -11.710 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.674 -8.658 -13.752 1.00 0.00 H new ATOM 455 N GLU A 33 1.077 -2.529 -15.586 1.00 0.00 N ATOM 456 CA GLU A 33 1.317 -1.379 -16.493 1.00 0.00 C ATOM 457 C GLU A 33 0.011 -0.585 -16.608 1.00 0.00 C ATOM 458 O GLU A 33 -0.127 0.299 -17.429 1.00 0.00 O ATOM 459 CB GLU A 33 1.765 -1.878 -17.873 1.00 0.00 C ATOM 460 CG GLU A 33 0.718 -2.838 -18.452 1.00 0.00 C ATOM 461 CD GLU A 33 0.099 -2.224 -19.711 1.00 0.00 C ATOM 462 OE1 GLU A 33 -0.884 -1.514 -19.579 1.00 0.00 O ATOM 463 OE2 GLU A 33 0.620 -2.474 -20.785 1.00 0.00 O ATOM 0 H GLU A 33 0.956 -3.434 -16.041 1.00 0.00 H new ATOM 0 HA GLU A 33 2.107 -0.742 -16.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.906 -1.032 -18.546 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.727 -2.384 -17.791 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.181 -3.795 -18.692 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.058 -3.035 -17.712 1.00 0.00 H new ATOM 470 N GLN A 34 -0.946 -0.904 -15.772 1.00 0.00 N ATOM 471 CA GLN A 34 -2.253 -0.192 -15.794 1.00 0.00 C ATOM 472 C GLN A 34 -2.945 -0.378 -14.439 1.00 0.00 C ATOM 473 O GLN A 34 -4.104 -0.740 -14.362 1.00 0.00 O ATOM 474 CB GLN A 34 -3.129 -0.767 -16.914 1.00 0.00 C ATOM 475 CG GLN A 34 -4.343 0.141 -17.144 1.00 0.00 C ATOM 476 CD GLN A 34 -4.811 0.011 -18.596 1.00 0.00 C ATOM 477 OE1 GLN A 34 -4.162 0.495 -19.501 1.00 0.00 O ATOM 478 NE2 GLN A 34 -5.917 -0.629 -18.858 1.00 0.00 N ATOM 0 H GLN A 34 -0.872 -1.638 -15.067 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.095 0.871 -15.978 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.549 -0.854 -17.833 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.460 -1.771 -16.650 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.150 -0.134 -16.465 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.082 1.177 -16.926 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.463 -1.036 -18.099 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.236 -0.723 -19.822 1.00 0.00 H new ATOM 487 N CYS A 35 -2.235 -0.127 -13.367 1.00 0.00 N ATOM 488 CA CYS A 35 -2.837 -0.281 -12.009 1.00 0.00 C ATOM 489 C CYS A 35 -2.370 0.866 -11.113 1.00 0.00 C ATOM 490 O CYS A 35 -2.957 1.130 -10.084 1.00 0.00 O ATOM 491 CB CYS A 35 -2.399 -1.612 -11.392 1.00 0.00 C ATOM 492 SG CYS A 35 -3.411 -2.965 -12.041 1.00 0.00 S ATOM 0 H CYS A 35 -1.262 0.179 -13.375 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.923 -0.264 -12.096 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.348 -1.796 -11.614 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.492 -1.566 -10.307 1.00 0.00 H new ATOM 497 N PHE A 36 -1.320 1.550 -11.497 1.00 0.00 N ATOM 498 CA PHE A 36 -0.812 2.687 -10.669 1.00 0.00 C ATOM 499 C PHE A 36 -2.004 3.517 -10.171 1.00 0.00 C ATOM 500 O PHE A 36 -2.725 4.104 -10.953 1.00 0.00 O ATOM 501 CB PHE A 36 0.096 3.570 -11.530 1.00 0.00 C ATOM 502 CG PHE A 36 1.474 2.959 -11.632 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.670 1.764 -12.335 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.558 3.600 -11.027 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.952 1.211 -12.430 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.841 3.047 -11.120 1.00 0.00 C ATOM 507 CZ PHE A 36 4.038 1.852 -11.822 1.00 0.00 C ATOM 0 H PHE A 36 -0.792 1.369 -12.351 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.249 2.303 -9.818 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.334 3.684 -12.525 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.164 4.567 -11.095 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.832 1.269 -12.804 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.406 4.523 -10.487 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.104 0.290 -12.972 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.678 3.542 -10.650 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.027 1.425 -11.895 1.00 0.00 H new ATOM 517 N VAL A 37 -2.230 3.553 -8.879 1.00 0.00 N ATOM 518 CA VAL A 37 -3.396 4.329 -8.342 1.00 0.00 C ATOM 519 C VAL A 37 -2.957 5.279 -7.226 1.00 0.00 C ATOM 520 O VAL A 37 -1.835 5.252 -6.769 1.00 0.00 O ATOM 521 CB VAL A 37 -4.441 3.366 -7.767 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.408 2.925 -8.866 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.744 2.135 -7.181 1.00 0.00 C ATOM 0 H VAL A 37 -1.661 3.082 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.817 4.907 -9.164 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.998 3.878 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.147 2.241 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.914 3.798 -9.277 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.854 2.421 -9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.491 1.454 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.180 1.629 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.064 2.445 -6.387 1.00 0.00 H new ATOM 533 N CYS A 38 -3.865 6.103 -6.773 1.00 0.00 N ATOM 534 CA CYS A 38 -3.556 7.056 -5.665 1.00 0.00 C ATOM 535 C CYS A 38 -3.925 6.384 -4.339 1.00 0.00 C ATOM 536 O CYS A 38 -5.060 6.016 -4.123 1.00 0.00 O ATOM 537 CB CYS A 38 -4.395 8.327 -5.849 1.00 0.00 C ATOM 538 SG CYS A 38 -3.829 9.639 -4.730 1.00 0.00 S ATOM 0 H CYS A 38 -4.820 6.157 -7.128 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.498 7.320 -5.669 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.325 8.668 -6.882 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.445 8.106 -5.657 1.00 0.00 H new ATOM 543 N ALA A 39 -2.980 6.204 -3.457 1.00 0.00 N ATOM 544 CA ALA A 39 -3.287 5.538 -2.151 1.00 0.00 C ATOM 545 C ALA A 39 -4.455 6.252 -1.451 1.00 0.00 C ATOM 546 O ALA A 39 -4.966 5.780 -0.453 1.00 0.00 O ATOM 547 CB ALA A 39 -2.049 5.575 -1.248 1.00 0.00 C ATOM 0 H ALA A 39 -2.008 6.488 -3.581 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.568 4.502 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.276 5.090 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.227 5.051 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.762 6.611 -1.066 1.00 0.00 H new ATOM 553 N GLN A 40 -4.879 7.380 -1.965 1.00 0.00 N ATOM 554 CA GLN A 40 -6.012 8.120 -1.331 1.00 0.00 C ATOM 555 C GLN A 40 -7.232 8.102 -2.263 1.00 0.00 C ATOM 556 O GLN A 40 -8.230 7.474 -1.972 1.00 0.00 O ATOM 557 CB GLN A 40 -5.586 9.567 -1.073 1.00 0.00 C ATOM 558 CG GLN A 40 -4.318 9.582 -0.215 1.00 0.00 C ATOM 559 CD GLN A 40 -3.731 10.995 -0.191 1.00 0.00 C ATOM 560 OE1 GLN A 40 -4.249 11.869 0.475 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.663 11.257 -0.893 1.00 0.00 N ATOM 0 H GLN A 40 -4.488 7.820 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.276 7.641 -0.388 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.404 10.078 -2.019 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.386 10.108 -0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.549 9.256 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.587 8.880 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.228 10.523 -1.452 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.263 12.195 -0.882 1.00 0.00 H new ATOM 570 N CYS A 41 -7.161 8.789 -3.377 1.00 0.00 N ATOM 571 CA CYS A 41 -8.324 8.810 -4.321 1.00 0.00 C ATOM 572 C CYS A 41 -8.382 7.492 -5.099 1.00 0.00 C ATOM 573 O CYS A 41 -9.370 7.180 -5.735 1.00 0.00 O ATOM 574 CB CYS A 41 -8.178 9.983 -5.298 1.00 0.00 C ATOM 575 SG CYS A 41 -6.930 9.595 -6.552 1.00 0.00 S ATOM 0 H CYS A 41 -6.352 9.334 -3.673 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.246 8.931 -3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.135 10.189 -5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.893 10.885 -4.756 1.00 0.00 H new ATOM 580 N PHE A 42 -7.329 6.721 -5.041 1.00 0.00 N ATOM 581 CA PHE A 42 -7.292 5.410 -5.759 1.00 0.00 C ATOM 582 C PHE A 42 -7.521 5.603 -7.260 1.00 0.00 C ATOM 583 O PHE A 42 -7.813 4.659 -7.970 1.00 0.00 O ATOM 584 CB PHE A 42 -8.360 4.473 -5.189 1.00 0.00 C ATOM 585 CG PHE A 42 -8.121 4.280 -3.709 1.00 0.00 C ATOM 586 CD1 PHE A 42 -6.943 3.666 -3.264 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.075 4.717 -2.782 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.721 3.490 -1.893 1.00 0.00 C ATOM 589 CE2 PHE A 42 -8.852 4.540 -1.412 1.00 0.00 C ATOM 590 CZ PHE A 42 -7.675 3.926 -0.967 1.00 0.00 C ATOM 0 H PHE A 42 -6.481 6.946 -4.520 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.306 4.968 -5.614 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.353 4.891 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.328 3.512 -5.702 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.207 3.329 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.983 5.191 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.813 3.017 -1.550 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.588 4.877 -0.697 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.504 3.789 0.090 1.00 0.00 H new ATOM 600 N GLN A 43 -7.371 6.803 -7.763 1.00 0.00 N ATOM 601 CA GLN A 43 -7.560 7.010 -9.226 1.00 0.00 C ATOM 602 C GLN A 43 -6.487 6.200 -9.951 1.00 0.00 C ATOM 603 O GLN A 43 -5.325 6.259 -9.604 1.00 0.00 O ATOM 604 CB GLN A 43 -7.433 8.498 -9.578 1.00 0.00 C ATOM 605 CG GLN A 43 -6.004 8.987 -9.323 1.00 0.00 C ATOM 606 CD GLN A 43 -5.250 9.101 -10.652 1.00 0.00 C ATOM 607 OE1 GLN A 43 -4.323 8.356 -10.905 1.00 0.00 O ATOM 608 NE2 GLN A 43 -5.610 10.009 -11.516 1.00 0.00 N ATOM 0 H GLN A 43 -7.129 7.637 -7.229 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.554 6.682 -9.529 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -7.696 8.655 -10.624 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.135 9.081 -8.982 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -6.025 9.955 -8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.486 8.295 -8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -6.388 10.634 -11.305 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.114 10.094 -12.403 1.00 0.00 H new ATOM 617 N GLN A 44 -6.863 5.418 -10.928 1.00 0.00 N ATOM 618 CA GLN A 44 -5.854 4.582 -11.642 1.00 0.00 C ATOM 619 C GLN A 44 -5.234 5.369 -12.796 1.00 0.00 C ATOM 620 O GLN A 44 -5.858 6.227 -13.390 1.00 0.00 O ATOM 621 CB GLN A 44 -6.503 3.297 -12.184 1.00 0.00 C ATOM 622 CG GLN A 44 -8.029 3.354 -12.035 1.00 0.00 C ATOM 623 CD GLN A 44 -8.605 4.388 -13.006 1.00 0.00 C ATOM 624 OE1 GLN A 44 -9.140 5.397 -12.590 1.00 0.00 O ATOM 625 NE2 GLN A 44 -8.515 4.180 -14.291 1.00 0.00 N ATOM 0 H GLN A 44 -7.822 5.322 -11.262 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.072 4.311 -10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.240 3.166 -13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.113 2.432 -11.647 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.460 2.373 -12.235 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.294 3.616 -11.011 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.066 3.333 -14.640 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.894 4.864 -14.946 1.00 0.00 H new ATOM 634 N PHE A 45 -4.002 5.068 -13.109 1.00 0.00 N ATOM 635 CA PHE A 45 -3.299 5.768 -14.219 1.00 0.00 C ATOM 636 C PHE A 45 -2.556 4.717 -15.063 1.00 0.00 C ATOM 637 O PHE A 45 -1.662 4.057 -14.567 1.00 0.00 O ATOM 638 CB PHE A 45 -2.303 6.777 -13.627 1.00 0.00 C ATOM 639 CG PHE A 45 -2.191 7.978 -14.538 1.00 0.00 C ATOM 640 CD1 PHE A 45 -1.713 7.828 -15.847 1.00 0.00 C ATOM 641 CD2 PHE A 45 -2.567 9.245 -14.073 1.00 0.00 C ATOM 642 CE1 PHE A 45 -1.611 8.942 -16.687 1.00 0.00 C ATOM 643 CE2 PHE A 45 -2.464 10.360 -14.915 1.00 0.00 C ATOM 644 CZ PHE A 45 -1.987 10.207 -16.222 1.00 0.00 C ATOM 0 H PHE A 45 -3.447 4.356 -12.635 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.010 6.304 -14.848 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.633 7.090 -12.636 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.326 6.309 -13.505 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.423 6.852 -16.207 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.936 9.362 -13.065 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.242 8.826 -17.695 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.752 11.337 -14.556 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.909 11.066 -16.872 1.00 0.00 H new ATOM 654 N PRO A 46 -2.961 4.575 -16.307 1.00 0.00 N ATOM 655 CA PRO A 46 -2.356 3.587 -17.225 1.00 0.00 C ATOM 656 C PRO A 46 -0.850 3.824 -17.380 1.00 0.00 C ATOM 657 O PRO A 46 -0.428 4.790 -17.987 1.00 0.00 O ATOM 658 CB PRO A 46 -3.081 3.794 -18.561 1.00 0.00 C ATOM 659 CG PRO A 46 -4.137 4.911 -18.356 1.00 0.00 C ATOM 660 CD PRO A 46 -4.044 5.383 -16.897 1.00 0.00 C ATOM 0 HA PRO A 46 -2.463 2.568 -16.852 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.373 4.075 -19.341 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.560 2.869 -18.884 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.953 5.741 -19.038 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.137 4.536 -18.573 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.819 6.448 -16.840 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.985 5.227 -16.370 1.00 0.00 H new ATOM 668 N GLU A 47 -0.048 2.932 -16.838 1.00 0.00 N ATOM 669 CA GLU A 47 1.446 3.055 -16.932 1.00 0.00 C ATOM 670 C GLU A 47 1.860 4.530 -16.991 1.00 0.00 C ATOM 671 O GLU A 47 2.642 4.937 -17.829 1.00 0.00 O ATOM 672 CB GLU A 47 1.955 2.319 -18.183 1.00 0.00 C ATOM 673 CG GLU A 47 1.015 2.568 -19.369 1.00 0.00 C ATOM 674 CD GLU A 47 1.484 1.750 -20.574 1.00 0.00 C ATOM 675 OE1 GLU A 47 1.209 0.561 -20.602 1.00 0.00 O ATOM 676 OE2 GLU A 47 2.111 2.326 -21.449 1.00 0.00 O ATOM 0 H GLU A 47 -0.372 2.111 -16.326 1.00 0.00 H new ATOM 0 HA GLU A 47 1.889 2.603 -16.044 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.960 2.660 -18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.022 1.250 -17.982 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.005 2.290 -19.103 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.002 3.629 -19.619 1.00 0.00 H new ATOM 683 N GLY A 48 1.334 5.332 -16.105 1.00 0.00 N ATOM 684 CA GLY A 48 1.685 6.780 -16.104 1.00 0.00 C ATOM 685 C GLY A 48 2.901 7.021 -15.209 1.00 0.00 C ATOM 686 O GLY A 48 3.652 7.953 -15.418 1.00 0.00 O ATOM 0 H GLY A 48 0.675 5.046 -15.381 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.899 7.112 -17.120 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.839 7.368 -15.748 1.00 0.00 H new ATOM 690 N LEU A 49 3.092 6.194 -14.210 1.00 0.00 N ATOM 691 CA LEU A 49 4.252 6.377 -13.284 1.00 0.00 C ATOM 692 C LEU A 49 4.099 7.718 -12.564 1.00 0.00 C ATOM 693 O LEU A 49 4.298 8.770 -13.140 1.00 0.00 O ATOM 694 CB LEU A 49 5.566 6.354 -14.079 1.00 0.00 C ATOM 695 CG LEU A 49 6.720 5.935 -13.159 1.00 0.00 C ATOM 696 CD1 LEU A 49 7.829 5.284 -13.990 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.280 7.170 -12.443 1.00 0.00 C ATOM 0 H LEU A 49 2.492 5.397 -13.996 1.00 0.00 H new ATOM 0 HA LEU A 49 4.274 5.567 -12.555 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.484 5.659 -14.915 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.764 7.339 -14.501 1.00 0.00 H new ATOM 0 HG LEU A 49 6.352 5.222 -12.422 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.648 4.987 -13.335 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.434 4.405 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.196 5.996 -14.729 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.100 6.871 -11.790 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.646 7.884 -13.181 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.493 7.634 -11.849 1.00 0.00 H new ATOM 709 N PHE A 50 3.726 7.690 -11.313 1.00 0.00 N ATOM 710 CA PHE A 50 3.536 8.964 -10.564 1.00 0.00 C ATOM 711 C PHE A 50 4.429 8.979 -9.315 1.00 0.00 C ATOM 712 O PHE A 50 5.597 8.653 -9.381 1.00 0.00 O ATOM 713 CB PHE A 50 2.052 9.096 -10.186 1.00 0.00 C ATOM 714 CG PHE A 50 1.498 7.786 -9.631 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.282 6.953 -8.815 1.00 0.00 C ATOM 716 CD2 PHE A 50 0.173 7.424 -9.914 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.740 5.773 -8.294 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.362 6.242 -9.391 1.00 0.00 C ATOM 719 CZ PHE A 50 0.422 5.419 -8.580 1.00 0.00 C ATOM 0 H PHE A 50 3.545 6.841 -10.778 1.00 0.00 H new ATOM 0 HA PHE A 50 3.822 9.812 -11.186 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.933 9.886 -9.444 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.477 9.393 -11.063 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.303 7.224 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.437 8.060 -10.538 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.345 5.134 -7.668 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.382 5.966 -9.615 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.007 4.508 -8.174 1.00 0.00 H new ATOM 729 N TYR A 51 3.895 9.346 -8.176 1.00 0.00 N ATOM 730 CA TYR A 51 4.715 9.366 -6.933 1.00 0.00 C ATOM 731 C TYR A 51 4.575 8.012 -6.233 1.00 0.00 C ATOM 732 O TYR A 51 4.178 7.921 -5.086 1.00 0.00 O ATOM 733 CB TYR A 51 4.225 10.492 -6.014 1.00 0.00 C ATOM 734 CG TYR A 51 5.250 11.603 -5.984 1.00 0.00 C ATOM 735 CD1 TYR A 51 6.363 11.503 -5.140 1.00 0.00 C ATOM 736 CD2 TYR A 51 5.087 12.730 -6.798 1.00 0.00 C ATOM 737 CE1 TYR A 51 7.312 12.531 -5.110 1.00 0.00 C ATOM 738 CE2 TYR A 51 6.038 13.758 -6.768 1.00 0.00 C ATOM 739 CZ TYR A 51 7.151 13.658 -5.923 1.00 0.00 C ATOM 740 OH TYR A 51 8.088 14.671 -5.893 1.00 0.00 O ATOM 0 H TYR A 51 2.923 9.633 -8.057 1.00 0.00 H new ATOM 0 HA TYR A 51 5.763 9.545 -7.175 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.269 10.875 -6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.060 10.108 -5.007 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.489 10.633 -4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.229 12.807 -7.449 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.170 12.454 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.913 14.628 -7.396 1.00 0.00 H new ATOM 0 HH TYR A 51 7.825 15.378 -6.518 1.00 0.00 H new ATOM 750 N GLU A 52 4.890 6.952 -6.929 1.00 0.00 N ATOM 751 CA GLU A 52 4.771 5.596 -6.329 1.00 0.00 C ATOM 752 C GLU A 52 5.887 5.385 -5.297 1.00 0.00 C ATOM 753 O GLU A 52 7.030 5.731 -5.525 1.00 0.00 O ATOM 754 CB GLU A 52 4.849 4.530 -7.439 1.00 0.00 C ATOM 755 CG GLU A 52 6.220 4.557 -8.130 1.00 0.00 C ATOM 756 CD GLU A 52 6.331 5.786 -9.034 1.00 0.00 C ATOM 757 OE1 GLU A 52 5.523 5.903 -9.942 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.222 6.586 -8.805 1.00 0.00 O ATOM 0 H GLU A 52 5.226 6.970 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 52 3.810 5.504 -5.823 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.671 3.542 -7.013 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.063 4.706 -8.174 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.012 4.574 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.357 3.650 -8.719 1.00 0.00 H new ATOM 765 N PHE A 53 5.557 4.827 -4.158 1.00 0.00 N ATOM 766 CA PHE A 53 6.590 4.597 -3.104 1.00 0.00 C ATOM 767 C PHE A 53 6.363 3.227 -2.456 1.00 0.00 C ATOM 768 O PHE A 53 5.363 2.575 -2.686 1.00 0.00 O ATOM 769 CB PHE A 53 6.495 5.694 -2.038 1.00 0.00 C ATOM 770 CG PHE A 53 7.883 6.122 -1.623 1.00 0.00 C ATOM 771 CD1 PHE A 53 8.548 7.129 -2.334 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.506 5.512 -0.526 1.00 0.00 C ATOM 773 CE1 PHE A 53 9.834 7.526 -1.948 1.00 0.00 C ATOM 774 CE2 PHE A 53 9.791 5.909 -0.141 1.00 0.00 C ATOM 775 CZ PHE A 53 10.455 6.916 -0.851 1.00 0.00 C ATOM 0 H PHE A 53 4.615 4.521 -3.914 1.00 0.00 H new ATOM 0 HA PHE A 53 7.581 4.624 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.942 6.548 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.943 5.327 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.069 7.599 -3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.994 4.735 0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 53 10.347 8.302 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.271 5.438 0.704 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.447 7.223 -0.553 1.00 0.00 H new ATOM 785 N GLU A 54 7.295 2.786 -1.652 1.00 0.00 N ATOM 786 CA GLU A 54 7.159 1.456 -0.991 1.00 0.00 C ATOM 787 C GLU A 54 6.034 1.493 0.049 1.00 0.00 C ATOM 788 O GLU A 54 6.130 2.161 1.061 1.00 0.00 O ATOM 789 CB GLU A 54 8.480 1.098 -0.303 1.00 0.00 C ATOM 790 CG GLU A 54 8.333 -0.230 0.447 1.00 0.00 C ATOM 791 CD GLU A 54 9.697 -0.665 0.990 1.00 0.00 C ATOM 792 OE1 GLU A 54 10.451 -1.259 0.236 1.00 0.00 O ATOM 793 OE2 GLU A 54 9.965 -0.394 2.149 1.00 0.00 O ATOM 0 H GLU A 54 8.150 3.294 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 54 6.918 0.706 -1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.277 1.022 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.765 1.889 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.622 -0.120 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.935 -0.994 -0.220 1.00 0.00 H new ATOM 800 N GLY A 55 4.975 0.766 -0.192 1.00 0.00 N ATOM 801 CA GLY A 55 3.842 0.732 0.780 1.00 0.00 C ATOM 802 C GLY A 55 2.982 1.992 0.648 1.00 0.00 C ATOM 803 O GLY A 55 1.933 2.093 1.255 1.00 0.00 O ATOM 0 H GLY A 55 4.845 0.191 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.230 -0.153 0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.229 0.654 1.796 1.00 0.00 H new ATOM 807 N ARG A 56 3.410 2.952 -0.133 1.00 0.00 N ATOM 808 CA ARG A 56 2.601 4.200 -0.285 1.00 0.00 C ATOM 809 C ARG A 56 2.788 4.776 -1.690 1.00 0.00 C ATOM 810 O ARG A 56 3.777 5.418 -1.981 1.00 0.00 O ATOM 811 CB ARG A 56 3.051 5.236 0.751 1.00 0.00 C ATOM 812 CG ARG A 56 2.804 4.704 2.167 1.00 0.00 C ATOM 813 CD ARG A 56 3.200 5.769 3.192 1.00 0.00 C ATOM 814 NE ARG A 56 2.329 6.969 3.024 1.00 0.00 N ATOM 815 CZ ARG A 56 2.275 7.883 3.955 1.00 0.00 C ATOM 816 NH1 ARG A 56 2.988 7.760 5.041 1.00 0.00 N ATOM 817 NH2 ARG A 56 1.508 8.925 3.796 1.00 0.00 N ATOM 0 H ARG A 56 4.278 2.927 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 56 1.549 3.961 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.109 5.460 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.507 6.169 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.753 4.440 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.382 3.795 2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.100 5.372 4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.246 6.045 3.060 1.00 0.00 H new ATOM 0 HE ARG A 56 1.772 7.076 2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.591 6.947 5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.942 8.477 5.765 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.952 9.024 2.946 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.463 9.641 4.521 1.00 0.00 H new ATOM 831 N LYS A 57 1.838 4.564 -2.560 1.00 0.00 N ATOM 832 CA LYS A 57 1.951 5.111 -3.944 1.00 0.00 C ATOM 833 C LYS A 57 0.911 6.224 -4.126 1.00 0.00 C ATOM 834 O LYS A 57 -0.159 6.180 -3.554 1.00 0.00 O ATOM 835 CB LYS A 57 1.733 3.979 -4.959 1.00 0.00 C ATOM 836 CG LYS A 57 0.243 3.803 -5.257 1.00 0.00 C ATOM 837 CD LYS A 57 -0.464 3.216 -4.034 1.00 0.00 C ATOM 838 CE LYS A 57 -1.901 2.872 -4.409 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.562 2.174 -3.270 1.00 0.00 N ATOM 0 H LYS A 57 0.987 4.035 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 57 2.944 5.530 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.270 4.202 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.144 3.048 -4.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.201 4.763 -5.519 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.110 3.145 -6.116 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.059 2.324 -3.689 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.450 3.931 -3.212 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.449 3.780 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.914 2.237 -5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.546 2.499 -3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.549 1.148 -3.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.052 2.387 -2.389 1.00 0.00 H new ATOM 853 N TYR A 58 1.221 7.234 -4.901 1.00 0.00 N ATOM 854 CA TYR A 58 0.244 8.353 -5.089 1.00 0.00 C ATOM 855 C TYR A 58 0.318 8.898 -6.507 1.00 0.00 C ATOM 856 O TYR A 58 1.379 8.995 -7.090 1.00 0.00 O ATOM 857 CB TYR A 58 0.591 9.500 -4.140 1.00 0.00 C ATOM 858 CG TYR A 58 0.580 9.022 -2.711 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.634 8.825 -2.044 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.792 8.795 -2.049 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.634 8.396 -0.711 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.793 8.371 -0.720 1.00 0.00 C ATOM 863 CZ TYR A 58 0.580 8.171 -0.048 1.00 0.00 C ATOM 864 OH TYR A 58 0.578 7.752 1.265 1.00 0.00 O ATOM 0 H TYR A 58 2.100 7.333 -5.408 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.754 7.964 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.574 9.901 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.125 10.312 -4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.568 9.003 -2.556 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.727 8.948 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.569 8.239 -0.194 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.729 8.197 -0.209 1.00 0.00 H new ATOM 0 HH TYR A 58 0.106 6.896 1.334 1.00 0.00 H new ATOM 874 N CYS A 59 -0.801 9.303 -7.047 1.00 0.00 N ATOM 875 CA CYS A 59 -0.789 9.892 -8.409 1.00 0.00 C ATOM 876 C CYS A 59 -0.490 11.380 -8.279 1.00 0.00 C ATOM 877 O CYS A 59 -0.705 11.977 -7.240 1.00 0.00 O ATOM 878 CB CYS A 59 -2.139 9.670 -9.101 1.00 0.00 C ATOM 879 SG CYS A 59 -3.464 10.440 -8.137 1.00 0.00 S ATOM 0 H CYS A 59 -1.717 9.250 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.024 9.411 -9.019 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.116 10.093 -10.105 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.330 8.602 -9.209 1.00 0.00 H new ATOM 884 N GLU A 60 0.028 11.979 -9.315 1.00 0.00 N ATOM 885 CA GLU A 60 0.367 13.430 -9.259 1.00 0.00 C ATOM 886 C GLU A 60 -0.827 14.234 -8.730 1.00 0.00 C ATOM 887 O GLU A 60 -0.687 15.376 -8.362 1.00 0.00 O ATOM 888 CB GLU A 60 0.730 13.912 -10.668 1.00 0.00 C ATOM 889 CG GLU A 60 1.146 15.386 -10.625 1.00 0.00 C ATOM 890 CD GLU A 60 2.025 15.707 -11.838 1.00 0.00 C ATOM 891 OE1 GLU A 60 1.475 15.876 -12.915 1.00 0.00 O ATOM 892 OE2 GLU A 60 3.230 15.779 -11.670 1.00 0.00 O ATOM 0 H GLU A 60 0.233 11.523 -10.204 1.00 0.00 H new ATOM 0 HA GLU A 60 1.212 13.578 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.543 13.307 -11.070 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.122 13.785 -11.336 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.262 16.024 -10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.690 15.594 -9.704 1.00 0.00 H new ATOM 899 N HIS A 61 -1.997 13.653 -8.693 1.00 0.00 N ATOM 900 CA HIS A 61 -3.191 14.403 -8.196 1.00 0.00 C ATOM 901 C HIS A 61 -3.013 14.796 -6.721 1.00 0.00 C ATOM 902 O HIS A 61 -2.849 15.955 -6.397 1.00 0.00 O ATOM 903 CB HIS A 61 -4.447 13.527 -8.369 1.00 0.00 C ATOM 904 CG HIS A 61 -5.367 13.682 -7.182 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.637 12.640 -6.297 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.079 14.761 -6.719 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.477 13.123 -5.361 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.776 14.406 -5.571 1.00 0.00 N ATOM 0 H HIS A 61 -2.179 12.693 -8.985 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.303 15.319 -8.776 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -4.971 13.809 -9.282 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.157 12.482 -8.478 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.095 15.738 -7.178 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.863 12.540 -4.538 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.386 14.999 -5.009 1.00 0.00 H new ATOM 916 N ASP A 62 -3.071 13.851 -5.825 1.00 0.00 N ATOM 917 CA ASP A 62 -2.931 14.187 -4.380 1.00 0.00 C ATOM 918 C ASP A 62 -1.581 14.852 -4.127 1.00 0.00 C ATOM 919 O ASP A 62 -1.445 15.702 -3.268 1.00 0.00 O ATOM 920 CB ASP A 62 -3.011 12.904 -3.548 1.00 0.00 C ATOM 921 CG ASP A 62 -4.311 12.895 -2.742 1.00 0.00 C ATOM 922 OD1 ASP A 62 -4.436 13.716 -1.849 1.00 0.00 O ATOM 923 OD2 ASP A 62 -5.156 12.069 -3.030 1.00 0.00 O ATOM 0 H ASP A 62 -3.209 12.861 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.733 14.869 -4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.970 12.032 -4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.155 12.840 -2.877 1.00 0.00 H new ATOM 928 N PHE A 63 -0.580 14.450 -4.855 1.00 0.00 N ATOM 929 CA PHE A 63 0.773 15.016 -4.649 1.00 0.00 C ATOM 930 C PHE A 63 0.905 16.403 -5.285 1.00 0.00 C ATOM 931 O PHE A 63 1.559 17.268 -4.732 1.00 0.00 O ATOM 932 CB PHE A 63 1.788 14.033 -5.210 1.00 0.00 C ATOM 933 CG PHE A 63 2.272 13.187 -4.061 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.345 12.497 -3.268 1.00 0.00 C ATOM 935 CD2 PHE A 63 3.628 13.108 -3.774 1.00 0.00 C ATOM 936 CE1 PHE A 63 1.784 11.726 -2.190 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.071 12.332 -2.696 1.00 0.00 C ATOM 938 CZ PHE A 63 3.149 11.641 -1.905 1.00 0.00 C ATOM 0 H PHE A 63 -0.645 13.746 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 63 0.957 15.158 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.335 13.411 -5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.620 14.562 -5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.290 12.562 -3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.341 13.645 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.070 11.196 -1.577 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.126 12.267 -2.476 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.491 11.042 -1.074 1.00 0.00 H new ATOM 948 N GLN A 64 0.282 16.658 -6.410 1.00 0.00 N ATOM 949 CA GLN A 64 0.396 18.030 -6.989 1.00 0.00 C ATOM 950 C GLN A 64 -0.433 18.975 -6.123 1.00 0.00 C ATOM 951 O GLN A 64 -0.223 20.173 -6.105 1.00 0.00 O ATOM 952 CB GLN A 64 -0.109 18.065 -8.438 1.00 0.00 C ATOM 953 CG GLN A 64 -1.639 17.986 -8.472 1.00 0.00 C ATOM 954 CD GLN A 64 -2.117 17.943 -9.925 1.00 0.00 C ATOM 955 OE1 GLN A 64 -2.431 16.890 -10.442 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.185 19.051 -10.609 1.00 0.00 N ATOM 0 H GLN A 64 -0.285 15.995 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 64 1.442 18.335 -7.001 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.225 18.981 -8.924 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.317 17.233 -8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.980 17.098 -7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.069 18.848 -7.962 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.921 19.935 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.502 19.033 -11.578 1.00 0.00 H new ATOM 965 N MET A 65 -1.356 18.424 -5.381 1.00 0.00 N ATOM 966 CA MET A 65 -2.194 19.253 -4.475 1.00 0.00 C ATOM 967 C MET A 65 -1.296 19.751 -3.351 1.00 0.00 C ATOM 968 O MET A 65 -1.352 20.900 -2.955 1.00 0.00 O ATOM 969 CB MET A 65 -3.330 18.399 -3.900 1.00 0.00 C ATOM 970 CG MET A 65 -4.407 19.309 -3.303 1.00 0.00 C ATOM 971 SD MET A 65 -5.642 18.298 -2.449 1.00 0.00 S ATOM 972 CE MET A 65 -6.575 19.658 -1.703 1.00 0.00 C ATOM 0 H MET A 65 -1.565 17.426 -5.366 1.00 0.00 H new ATOM 0 HA MET A 65 -2.634 20.093 -5.013 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.761 17.774 -4.683 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.942 17.728 -3.134 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.956 20.017 -2.607 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.882 19.894 -4.090 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.402 19.254 -1.118 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.918 20.236 -1.052 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.967 20.304 -2.488 1.00 0.00 H new ATOM 982 N LEU A 66 -0.439 18.892 -2.856 1.00 0.00 N ATOM 983 CA LEU A 66 0.503 19.315 -1.780 1.00 0.00 C ATOM 984 C LEU A 66 1.463 20.329 -2.393 1.00 0.00 C ATOM 985 O LEU A 66 2.002 21.188 -1.723 1.00 0.00 O ATOM 986 CB LEU A 66 1.311 18.111 -1.272 1.00 0.00 C ATOM 987 CG LEU A 66 0.437 16.855 -1.249 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.213 15.702 -0.607 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.840 17.121 -0.441 1.00 0.00 C ATOM 0 H LEU A 66 -0.353 17.919 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.050 19.740 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.176 17.948 -1.915 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.691 18.316 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 66 0.167 16.590 -2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.590 14.808 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.116 15.505 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.487 15.971 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.457 16.222 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.574 17.392 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.397 17.938 -0.900 1.00 0.00 H new ATOM 1001 N PHE A 67 1.666 20.218 -3.683 1.00 0.00 N ATOM 1002 CA PHE A 67 2.577 21.146 -4.405 1.00 0.00 C ATOM 1003 C PHE A 67 4.009 20.963 -3.889 1.00 0.00 C ATOM 1004 O PHE A 67 4.448 21.646 -2.982 1.00 0.00 O ATOM 1005 CB PHE A 67 2.117 22.596 -4.194 1.00 0.00 C ATOM 1006 CG PHE A 67 2.214 23.352 -5.499 1.00 0.00 C ATOM 1007 CD1 PHE A 67 3.444 23.873 -5.915 1.00 0.00 C ATOM 1008 CD2 PHE A 67 1.074 23.528 -6.293 1.00 0.00 C ATOM 1009 CE1 PHE A 67 3.536 24.572 -7.124 1.00 0.00 C ATOM 1010 CE2 PHE A 67 1.165 24.228 -7.502 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.396 24.750 -7.917 1.00 0.00 C ATOM 0 H PHE A 67 1.229 19.509 -4.272 1.00 0.00 H new ATOM 0 HA PHE A 67 2.552 20.923 -5.472 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.091 22.613 -3.827 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.735 23.078 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.323 23.736 -5.303 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.125 23.124 -5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.486 24.974 -7.445 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.286 24.365 -8.114 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.466 25.290 -8.849 1.00 0.00 H new ATOM 1021 N ALA A 68 4.738 20.039 -4.461 1.00 0.00 N ATOM 1022 CA ALA A 68 6.141 19.798 -4.014 1.00 0.00 C ATOM 1023 C ALA A 68 7.074 19.790 -5.234 1.00 0.00 C ATOM 1024 O ALA A 68 7.448 18.739 -5.718 1.00 0.00 O ATOM 1025 CB ALA A 68 6.218 18.445 -3.300 1.00 0.00 C ATOM 0 H ALA A 68 4.419 19.439 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 68 6.449 20.589 -3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.242 18.265 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.555 18.452 -2.435 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.912 17.654 -3.985 1.00 0.00 H new ATOM 1031 N PRO A 69 7.420 20.970 -5.694 1.00 0.00 N ATOM 1032 CA PRO A 69 8.311 21.130 -6.860 1.00 0.00 C ATOM 1033 C PRO A 69 9.693 20.539 -6.560 1.00 0.00 C ATOM 1034 O PRO A 69 10.024 20.256 -5.424 1.00 0.00 O ATOM 1035 CB PRO A 69 8.408 22.648 -7.076 1.00 0.00 C ATOM 1036 CG PRO A 69 7.568 23.336 -5.969 1.00 0.00 C ATOM 1037 CD PRO A 69 6.953 22.233 -5.094 1.00 0.00 C ATOM 0 HA PRO A 69 7.934 20.614 -7.743 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.446 22.976 -7.027 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.034 22.919 -8.064 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.194 23.996 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.786 23.954 -6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.279 22.323 -4.058 1.00 0.00 H new ATOM 0 HD3 PRO A 69 5.865 22.291 -5.092 1.00 0.00 H new ATOM 1045 N CYS A 70 10.501 20.354 -7.571 1.00 0.00 N ATOM 1046 CA CYS A 70 11.863 19.785 -7.352 1.00 0.00 C ATOM 1047 C CYS A 70 12.729 20.798 -6.594 1.00 0.00 C ATOM 1048 O CYS A 70 12.557 21.985 -6.822 1.00 0.00 O ATOM 1049 CB CYS A 70 12.508 19.471 -8.705 1.00 0.00 C ATOM 1050 SG CYS A 70 12.436 20.937 -9.765 1.00 0.00 S ATOM 0 H CYS A 70 10.275 20.573 -8.541 1.00 0.00 H new ATOM 0 HA CYS A 70 11.783 18.870 -6.766 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.544 19.163 -8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.990 18.639 -9.182 1.00 0.00 H new ATOM 0 HG CYS A 70 12.409 22.006 -9.026 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.515 -4.810 -10.993 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.949 10.757 -6.407 1.00 0.00 ZN