USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -140:sc= -1.29 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.26! C(o=-14!,f=-17!) USER MOD Set 1.3: A 34 CYS SG : rot 169:sc= -1.79 USER MOD Set 1.4: A 37 CYS SG : rot -31:sc= -4.33! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0661 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0148 USER MOD Single : A 14 THR OG1 : rot 140:sc= -1.97 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 158:sc=-0.00359 (180deg=-0.624) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.229 K(o=-0.23,f=-1.2!) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= -0.0949 (180deg=-0.209) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -19.583 5.899 -10.555 1.00 0.00 N ATOM 2 CA ALA A 2 -18.241 5.659 -11.143 1.00 0.00 C ATOM 3 C ALA A 2 -18.342 5.344 -12.633 1.00 0.00 C ATOM 4 O ALA A 2 -18.146 4.203 -13.051 1.00 0.00 O ATOM 5 CB ALA A 2 -17.540 4.525 -10.409 1.00 0.00 C ATOM 0 HA ALA A 2 -17.653 6.570 -11.030 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.557 4.359 -10.850 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -17.426 4.788 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -18.134 3.615 -10.493 1.00 0.00 H new ATOM 10 N SER A 3 -18.653 6.363 -13.428 1.00 0.00 N ATOM 11 CA SER A 3 -18.783 6.195 -14.871 1.00 0.00 C ATOM 12 C SER A 3 -17.758 7.045 -15.616 1.00 0.00 C ATOM 13 O SER A 3 -17.227 6.631 -16.647 1.00 0.00 O ATOM 14 CB SER A 3 -20.196 6.568 -15.322 1.00 0.00 C ATOM 15 OG SER A 3 -21.146 6.293 -14.306 1.00 0.00 O ATOM 0 H SER A 3 -18.820 7.313 -13.097 1.00 0.00 H new ATOM 0 HA SER A 3 -18.597 5.147 -15.107 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.231 7.626 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.452 6.012 -16.224 1.00 0.00 H new ATOM 0 HG SER A 3 -22.041 6.542 -14.619 1.00 0.00 H new ATOM 21 N THR A 4 -17.486 8.235 -15.090 1.00 0.00 N ATOM 22 CA THR A 4 -16.524 9.145 -15.706 1.00 0.00 C ATOM 23 C THR A 4 -15.165 8.472 -15.878 1.00 0.00 C ATOM 24 O THR A 4 -14.454 8.725 -16.850 1.00 0.00 O ATOM 25 CB THR A 4 -16.378 10.412 -14.863 1.00 0.00 C ATOM 26 OG1 THR A 4 -16.620 10.135 -13.494 1.00 0.00 O ATOM 27 CG2 THR A 4 -17.319 11.521 -15.280 1.00 0.00 C ATOM 0 H THR A 4 -17.918 8.593 -14.238 1.00 0.00 H new ATOM 0 HA THR A 4 -16.899 9.415 -16.693 1.00 0.00 H new ATOM 0 HB THR A 4 -15.353 10.748 -15.023 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.520 10.958 -12.971 1.00 0.00 H new ATOM 0 HG21 THR A 4 -17.163 12.390 -14.641 1.00 0.00 H new ATOM 0 HG22 THR A 4 -17.124 11.793 -16.317 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.350 11.180 -15.183 1.00 0.00 H new ATOM 35 N SER A 5 -14.811 7.615 -14.926 1.00 0.00 N ATOM 36 CA SER A 5 -13.536 6.906 -14.971 1.00 0.00 C ATOM 37 C SER A 5 -13.605 5.727 -15.938 1.00 0.00 C ATOM 38 O SER A 5 -14.685 5.225 -16.244 1.00 0.00 O ATOM 39 CB SER A 5 -13.152 6.415 -13.575 1.00 0.00 C ATOM 40 OG SER A 5 -11.898 5.754 -13.594 1.00 0.00 O ATOM 0 H SER A 5 -15.388 7.394 -14.114 1.00 0.00 H new ATOM 0 HA SER A 5 -12.774 7.600 -15.325 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.111 7.260 -12.887 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.919 5.737 -13.201 1.00 0.00 H new ATOM 0 HG SER A 5 -11.674 5.451 -12.689 1.00 0.00 H new ATOM 46 N ARG A 6 -12.443 5.291 -16.414 1.00 0.00 N ATOM 47 CA ARG A 6 -12.372 4.171 -17.345 1.00 0.00 C ATOM 48 C ARG A 6 -12.397 2.840 -16.596 1.00 0.00 C ATOM 49 O ARG A 6 -13.382 2.103 -16.656 1.00 0.00 O ATOM 50 CB ARG A 6 -11.107 4.269 -18.201 1.00 0.00 C ATOM 51 CG ARG A 6 -10.888 5.649 -18.801 1.00 0.00 C ATOM 52 CD ARG A 6 -9.945 5.597 -19.992 1.00 0.00 C ATOM 53 NE ARG A 6 -10.664 5.689 -21.262 1.00 0.00 N ATOM 54 CZ ARG A 6 -10.098 6.053 -22.410 1.00 0.00 C ATOM 55 NH1 ARG A 6 -8.806 6.356 -22.456 1.00 0.00 N ATOM 56 NH2 ARG A 6 -10.825 6.114 -23.516 1.00 0.00 N ATOM 0 H ARG A 6 -11.539 5.696 -16.171 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.244 4.216 -17.997 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.243 4.005 -17.591 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -11.164 3.536 -19.006 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.845 6.067 -19.112 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -10.480 6.316 -18.042 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.226 6.414 -19.922 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.376 4.668 -19.964 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.658 5.461 -21.268 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.241 6.310 -21.608 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.379 6.634 -23.339 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.818 5.882 -23.487 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.392 6.393 -24.396 1.00 0.00 H new ATOM 70 N LEU A 7 -11.313 2.541 -15.888 1.00 0.00 N ATOM 71 CA LEU A 7 -11.216 1.300 -15.125 1.00 0.00 C ATOM 72 C LEU A 7 -10.043 1.355 -14.139 1.00 0.00 C ATOM 73 O LEU A 7 -10.182 1.897 -13.042 1.00 0.00 O ATOM 74 CB LEU A 7 -11.096 0.088 -16.065 1.00 0.00 C ATOM 75 CG LEU A 7 -10.730 0.405 -17.522 1.00 0.00 C ATOM 76 CD1 LEU A 7 -9.453 1.229 -17.595 1.00 0.00 C ATOM 77 CD2 LEU A 7 -10.581 -0.880 -18.321 1.00 0.00 C ATOM 0 H LEU A 7 -10.490 3.140 -15.826 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.132 1.184 -14.546 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.343 -0.589 -15.660 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.044 -0.449 -16.057 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.538 0.994 -17.956 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.215 1.440 -18.638 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.594 2.167 -17.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.634 0.671 -17.142 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.321 -0.639 -19.352 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.793 -1.492 -17.882 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.521 -1.431 -18.303 1.00 0.00 H new ATOM 89 N ASP A 8 -8.890 0.802 -14.525 1.00 0.00 N ATOM 90 CA ASP A 8 -7.709 0.804 -13.663 1.00 0.00 C ATOM 91 C ASP A 8 -8.065 0.419 -12.226 1.00 0.00 C ATOM 92 O ASP A 8 -7.731 1.134 -11.280 1.00 0.00 O ATOM 93 CB ASP A 8 -7.041 2.181 -13.685 1.00 0.00 C ATOM 94 CG ASP A 8 -5.567 2.113 -13.333 1.00 0.00 C ATOM 95 OD1 ASP A 8 -4.983 1.015 -13.430 1.00 0.00 O ATOM 96 OD2 ASP A 8 -4.999 3.161 -12.959 1.00 0.00 O ATOM 0 H ASP A 8 -8.751 0.348 -15.428 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.013 0.059 -14.049 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.156 2.622 -14.675 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.550 2.840 -12.982 1.00 0.00 H new ATOM 101 N ALA A 9 -8.748 -0.710 -12.071 1.00 0.00 N ATOM 102 CA ALA A 9 -9.149 -1.181 -10.750 1.00 0.00 C ATOM 103 C ALA A 9 -9.141 -2.705 -10.679 1.00 0.00 C ATOM 104 O ALA A 9 -9.525 -3.384 -11.631 1.00 0.00 O ATOM 105 CB ALA A 9 -10.526 -0.643 -10.394 1.00 0.00 C ATOM 0 H ALA A 9 -9.035 -1.314 -12.841 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.425 -0.808 -10.026 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.813 -1.002 -9.406 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.501 0.447 -10.391 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.253 -0.987 -11.130 1.00 0.00 H new ATOM 111 N LEU A 10 -8.701 -3.234 -9.541 1.00 0.00 N ATOM 112 CA LEU A 10 -8.646 -4.677 -9.336 1.00 0.00 C ATOM 113 C LEU A 10 -9.937 -5.183 -8.697 1.00 0.00 C ATOM 114 O LEU A 10 -10.713 -4.399 -8.149 1.00 0.00 O ATOM 115 CB LEU A 10 -7.449 -5.038 -8.452 1.00 0.00 C ATOM 116 CG LEU A 10 -6.112 -5.163 -9.186 1.00 0.00 C ATOM 117 CD1 LEU A 10 -4.955 -4.887 -8.239 1.00 0.00 C ATOM 118 CD2 LEU A 10 -5.973 -6.544 -9.810 1.00 0.00 C ATOM 0 H LEU A 10 -8.377 -2.684 -8.746 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.531 -5.157 -10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.349 -4.280 -7.675 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.660 -5.983 -7.950 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.087 -4.421 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.013 -4.981 -8.779 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.045 -3.877 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.976 -5.605 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.016 -6.615 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.020 -7.303 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.783 -6.705 -10.521 1.00 0.00 H new ATOM 130 N PRO A 11 -10.188 -6.503 -8.755 1.00 0.00 N ATOM 131 CA PRO A 11 -11.392 -7.107 -8.176 1.00 0.00 C ATOM 132 C PRO A 11 -11.643 -6.635 -6.748 1.00 0.00 C ATOM 133 O PRO A 11 -12.639 -5.965 -6.471 1.00 0.00 O ATOM 134 CB PRO A 11 -11.100 -8.618 -8.203 1.00 0.00 C ATOM 135 CG PRO A 11 -9.663 -8.749 -8.595 1.00 0.00 C ATOM 136 CD PRO A 11 -9.328 -7.514 -9.379 1.00 0.00 C ATOM 0 HA PRO A 11 -12.289 -6.831 -8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.282 -9.069 -7.227 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.748 -9.129 -8.916 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.026 -8.836 -7.715 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.503 -9.646 -9.194 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.272 -7.255 -9.298 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.546 -7.634 -10.440 1.00 0.00 H new ATOM 144 N ARG A 12 -10.732 -6.980 -5.844 1.00 0.00 N ATOM 145 CA ARG A 12 -10.856 -6.583 -4.446 1.00 0.00 C ATOM 146 C ARG A 12 -9.491 -6.546 -3.767 1.00 0.00 C ATOM 147 O ARG A 12 -8.456 -6.596 -4.432 1.00 0.00 O ATOM 148 CB ARG A 12 -11.800 -7.530 -3.700 1.00 0.00 C ATOM 149 CG ARG A 12 -11.234 -8.924 -3.477 1.00 0.00 C ATOM 150 CD ARG A 12 -12.192 -9.784 -2.666 1.00 0.00 C ATOM 151 NE ARG A 12 -12.682 -9.081 -1.480 1.00 0.00 N ATOM 152 CZ ARG A 12 -13.899 -9.242 -0.965 1.00 0.00 C ATOM 153 NH1 ARG A 12 -14.757 -10.097 -1.508 1.00 0.00 N ATOM 154 NH2 ARG A 12 -14.260 -8.546 0.106 1.00 0.00 N ATOM 0 H ARG A 12 -9.901 -7.533 -6.054 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.278 -5.578 -4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -12.048 -7.091 -2.733 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.731 -7.613 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.040 -9.399 -4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.278 -8.852 -2.959 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.036 -10.075 -3.291 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.688 -10.702 -2.362 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.051 -8.426 -1.018 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -14.486 -10.639 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -15.687 -10.212 -1.105 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.606 -7.890 0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.192 -8.667 0.503 1.00 0.00 H new ATOM 168 N VAL A 13 -9.493 -6.445 -2.442 1.00 0.00 N ATOM 169 CA VAL A 13 -8.252 -6.389 -1.679 1.00 0.00 C ATOM 170 C VAL A 13 -7.803 -7.778 -1.231 1.00 0.00 C ATOM 171 O VAL A 13 -7.567 -8.011 -0.045 1.00 0.00 O ATOM 172 CB VAL A 13 -8.400 -5.482 -0.443 1.00 0.00 C ATOM 173 CG1 VAL A 13 -8.665 -4.044 -0.863 1.00 0.00 C ATOM 174 CG2 VAL A 13 -9.509 -5.991 0.465 1.00 0.00 C ATOM 0 H VAL A 13 -10.340 -6.400 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.494 -5.972 -2.343 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.464 -5.507 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.767 -3.419 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.834 -3.683 -1.468 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.585 -3.999 -1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.598 -5.337 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.452 -5.999 -0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.273 -7.002 0.796 1.00 0.00 H new ATOM 184 N THR A 14 -7.684 -8.698 -2.183 1.00 0.00 N ATOM 185 CA THR A 14 -7.259 -10.059 -1.877 1.00 0.00 C ATOM 186 C THR A 14 -6.625 -10.726 -3.094 1.00 0.00 C ATOM 187 O THR A 14 -6.797 -10.273 -4.226 1.00 0.00 O ATOM 188 CB THR A 14 -8.445 -10.890 -1.387 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.470 -10.926 -2.365 1.00 0.00 O ATOM 190 CG2 THR A 14 -9.053 -10.368 -0.103 1.00 0.00 C ATOM 0 H THR A 14 -7.875 -8.526 -3.170 1.00 0.00 H new ATOM 0 HA THR A 14 -6.510 -10.004 -1.087 1.00 0.00 H new ATOM 0 HB THR A 14 -8.042 -11.885 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.855 -11.826 -2.402 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.889 -11.004 0.188 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.300 -10.375 0.685 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.408 -9.349 -0.257 1.00 0.00 H new ATOM 198 N CYS A 15 -5.894 -11.809 -2.850 1.00 0.00 N ATOM 199 CA CYS A 15 -5.230 -12.549 -3.918 1.00 0.00 C ATOM 200 C CYS A 15 -6.242 -13.352 -4.736 1.00 0.00 C ATOM 201 O CYS A 15 -7.135 -13.989 -4.176 1.00 0.00 O ATOM 202 CB CYS A 15 -4.177 -13.489 -3.326 1.00 0.00 C ATOM 203 SG CYS A 15 -3.142 -14.321 -4.552 1.00 0.00 S ATOM 0 H CYS A 15 -5.746 -12.195 -1.918 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.744 -11.832 -4.580 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.535 -12.919 -2.654 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.680 -14.244 -2.722 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.942 -15.552 -4.187 1.00 0.00 H new ATOM 209 N PRO A 16 -6.119 -13.336 -6.076 1.00 0.00 N ATOM 210 CA PRO A 16 -7.031 -14.071 -6.961 1.00 0.00 C ATOM 211 C PRO A 16 -6.923 -15.582 -6.780 1.00 0.00 C ATOM 212 O PRO A 16 -7.843 -16.323 -7.129 1.00 0.00 O ATOM 213 CB PRO A 16 -6.575 -13.667 -8.366 1.00 0.00 C ATOM 214 CG PRO A 16 -5.160 -13.234 -8.198 1.00 0.00 C ATOM 215 CD PRO A 16 -5.086 -12.609 -6.835 1.00 0.00 C ATOM 0 HA PRO A 16 -8.074 -13.833 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.653 -14.502 -9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.191 -12.861 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.479 -14.081 -8.278 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.874 -12.521 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.099 -12.730 -6.389 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.291 -11.539 -6.871 1.00 0.00 H new ATOM 223 N ASN A 17 -5.797 -16.035 -6.236 1.00 0.00 N ATOM 224 CA ASN A 17 -5.574 -17.458 -6.009 1.00 0.00 C ATOM 225 C ASN A 17 -5.545 -17.781 -4.516 1.00 0.00 C ATOM 226 O ASN A 17 -5.619 -18.945 -4.124 1.00 0.00 O ATOM 227 CB ASN A 17 -4.264 -17.899 -6.669 1.00 0.00 C ATOM 228 CG ASN A 17 -4.494 -18.751 -7.901 1.00 0.00 C ATOM 229 OD1 ASN A 17 -5.187 -19.768 -7.846 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.910 -18.341 -9.022 1.00 0.00 N ATOM 0 H ASN A 17 -5.025 -15.436 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.403 -18.006 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.684 -17.018 -6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.669 -18.460 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.027 -18.875 -9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.344 -17.492 -9.021 1.00 0.00 H new ATOM 237 N HIS A 18 -5.449 -16.747 -3.683 1.00 0.00 N ATOM 238 CA HIS A 18 -5.424 -16.934 -2.238 1.00 0.00 C ATOM 239 C HIS A 18 -6.414 -15.993 -1.557 1.00 0.00 C ATOM 240 O HIS A 18 -6.056 -14.887 -1.157 1.00 0.00 O ATOM 241 CB HIS A 18 -4.024 -16.688 -1.684 1.00 0.00 C ATOM 242 CG HIS A 18 -3.001 -17.693 -2.113 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.812 -17.336 -2.708 1.00 0.00 N ATOM 244 CD2 HIS A 18 -2.969 -19.042 -1.993 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.088 -18.417 -2.933 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.767 -19.467 -2.509 1.00 0.00 N ATOM 0 H HIS A 18 -5.388 -15.775 -3.985 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.711 -17.965 -2.031 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.693 -15.697 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.074 -16.681 -0.595 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.533 -16.383 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.742 -19.667 -1.571 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.108 -18.439 -3.386 1.00 0.00 H new ATOM 255 N PRO A 19 -7.676 -16.424 -1.410 1.00 0.00 N ATOM 256 CA PRO A 19 -8.712 -15.612 -0.768 1.00 0.00 C ATOM 257 C PRO A 19 -8.336 -15.247 0.663 1.00 0.00 C ATOM 258 O PRO A 19 -8.670 -14.167 1.149 1.00 0.00 O ATOM 259 CB PRO A 19 -9.955 -16.512 -0.788 1.00 0.00 C ATOM 260 CG PRO A 19 -9.442 -17.890 -1.038 1.00 0.00 C ATOM 261 CD PRO A 19 -8.188 -17.731 -1.845 1.00 0.00 C ATOM 0 HA PRO A 19 -8.864 -14.663 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.494 -16.459 0.158 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.651 -16.204 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.238 -18.405 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.178 -18.487 -1.576 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.475 -18.531 -1.644 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.393 -17.748 -2.916 1.00 0.00 H new ATOM 269 N ASP A 20 -7.643 -16.161 1.332 1.00 0.00 N ATOM 270 CA ASP A 20 -7.222 -15.946 2.709 1.00 0.00 C ATOM 271 C ASP A 20 -5.954 -15.096 2.778 1.00 0.00 C ATOM 272 O ASP A 20 -5.723 -14.390 3.760 1.00 0.00 O ATOM 273 CB ASP A 20 -6.990 -17.288 3.407 1.00 0.00 C ATOM 274 CG ASP A 20 -8.169 -17.705 4.263 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.276 -17.873 3.708 1.00 0.00 O ATOM 276 OD2 ASP A 20 -7.987 -17.863 5.489 1.00 0.00 O ATOM 0 H ASP A 20 -7.361 -17.060 0.941 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.019 -15.407 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.799 -18.056 2.658 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.098 -17.221 4.030 1.00 0.00 H new ATOM 281 N ALA A 21 -5.134 -15.169 1.734 1.00 0.00 N ATOM 282 CA ALA A 21 -3.890 -14.405 1.688 1.00 0.00 C ATOM 283 C ALA A 21 -4.144 -12.965 1.251 1.00 0.00 C ATOM 284 O ALA A 21 -4.095 -12.641 0.065 1.00 0.00 O ATOM 285 CB ALA A 21 -2.896 -15.074 0.762 1.00 0.00 C ATOM 0 H ALA A 21 -5.307 -15.747 0.911 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.470 -14.380 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.974 -14.494 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.682 -16.080 1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.316 -15.131 -0.242 1.00 0.00 H new ATOM 291 N ILE A 22 -4.449 -12.128 2.232 1.00 0.00 N ATOM 292 CA ILE A 22 -4.751 -10.719 1.985 1.00 0.00 C ATOM 293 C ILE A 22 -3.502 -9.892 1.665 1.00 0.00 C ATOM 294 O ILE A 22 -3.082 -9.065 2.473 1.00 0.00 O ATOM 295 CB ILE A 22 -5.487 -10.076 3.182 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.410 -11.087 3.870 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.283 -8.867 2.717 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.334 -11.815 2.915 1.00 0.00 C ATOM 0 H ILE A 22 -4.495 -12.399 3.214 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.401 -10.710 1.110 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.740 -9.753 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.801 -11.819 4.401 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.010 -10.568 4.618 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.798 -8.421 3.568 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.607 -8.134 2.277 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.015 -9.178 1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.957 -12.514 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.969 -11.093 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.742 -12.363 2.182 1.00 0.00 H new ATOM 310 N LEU A 23 -2.928 -10.126 0.470 1.00 0.00 N ATOM 311 CA LEU A 23 -1.727 -9.400 0.010 1.00 0.00 C ATOM 312 C LEU A 23 -1.414 -8.236 0.940 1.00 0.00 C ATOM 313 O LEU A 23 -2.169 -7.272 1.026 1.00 0.00 O ATOM 314 CB LEU A 23 -1.924 -8.872 -1.417 1.00 0.00 C ATOM 315 CG LEU A 23 -1.438 -9.798 -2.538 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.591 -10.643 -3.052 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.812 -8.983 -3.665 1.00 0.00 C ATOM 0 H LEU A 23 -3.277 -10.814 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.892 -10.100 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.985 -8.673 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.405 -7.918 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.674 -10.466 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.236 -11.297 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.991 -11.247 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.374 -9.992 -3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.472 -9.654 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.553 -8.293 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.036 -8.418 -3.278 1.00 0.00 H new ATOM 329 N VAL A 24 -0.326 -8.345 1.670 1.00 0.00 N ATOM 330 CA VAL A 24 0.032 -7.313 2.623 1.00 0.00 C ATOM 331 C VAL A 24 0.741 -6.140 1.967 1.00 0.00 C ATOM 332 O VAL A 24 1.282 -6.249 0.870 1.00 0.00 O ATOM 333 CB VAL A 24 0.876 -7.897 3.758 1.00 0.00 C ATOM 334 CG1 VAL A 24 0.982 -6.920 4.918 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.262 -9.216 4.201 1.00 0.00 C ATOM 0 H VAL A 24 0.323 -9.131 1.624 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.897 -6.926 3.041 1.00 0.00 H new ATOM 0 HB VAL A 24 1.890 -8.077 3.400 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.587 -7.360 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.450 -5.997 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.015 -6.701 5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.856 -9.641 5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.756 -9.044 4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.245 -9.910 3.361 1.00 0.00 H new ATOM 345 N GLU A 25 0.699 -5.013 2.658 1.00 0.00 N ATOM 346 CA GLU A 25 1.291 -3.785 2.187 1.00 0.00 C ATOM 347 C GLU A 25 2.764 -3.756 2.514 1.00 0.00 C ATOM 348 O GLU A 25 3.171 -3.909 3.665 1.00 0.00 O ATOM 349 CB GLU A 25 0.584 -2.577 2.806 1.00 0.00 C ATOM 350 CG GLU A 25 -0.033 -1.642 1.777 1.00 0.00 C ATOM 351 CD GLU A 25 0.517 -0.232 1.866 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.206 0.465 2.855 1.00 0.00 O ATOM 353 OE2 GLU A 25 1.257 0.176 0.946 1.00 0.00 O ATOM 0 H GLU A 25 0.248 -4.930 3.569 1.00 0.00 H new ATOM 0 HA GLU A 25 1.173 -3.736 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.197 -2.929 3.480 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.298 -2.018 3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.149 -2.037 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.114 -1.616 1.917 1.00 0.00 H new ATOM 360 N ASP A 26 3.543 -3.557 1.481 1.00 0.00 N ATOM 361 CA ASP A 26 4.981 -3.499 1.583 1.00 0.00 C ATOM 362 C ASP A 26 5.559 -4.691 2.343 1.00 0.00 C ATOM 363 O ASP A 26 5.371 -4.829 3.551 1.00 0.00 O ATOM 364 CB ASP A 26 5.424 -2.187 2.227 1.00 0.00 C ATOM 365 CG ASP A 26 4.921 -0.972 1.473 1.00 0.00 C ATOM 366 OD1 ASP A 26 3.947 -1.114 0.701 1.00 0.00 O ATOM 367 OD2 ASP A 26 5.499 0.119 1.652 1.00 0.00 O ATOM 0 H ASP A 26 3.192 -3.429 0.532 1.00 0.00 H new ATOM 0 HA ASP A 26 5.374 -3.545 0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.061 -2.149 3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.513 -2.158 2.272 1.00 0.00 H new ATOM 372 N TYR A 27 6.278 -5.545 1.621 1.00 0.00 N ATOM 373 CA TYR A 27 6.901 -6.720 2.217 1.00 0.00 C ATOM 374 C TYR A 27 7.519 -7.617 1.151 1.00 0.00 C ATOM 375 O TYR A 27 6.942 -7.828 0.084 1.00 0.00 O ATOM 376 CB TYR A 27 5.876 -7.513 3.036 1.00 0.00 C ATOM 377 CG TYR A 27 6.126 -7.465 4.526 1.00 0.00 C ATOM 378 CD1 TYR A 27 7.404 -7.646 5.040 1.00 0.00 C ATOM 379 CD2 TYR A 27 5.086 -7.236 5.418 1.00 0.00 C ATOM 380 CE1 TYR A 27 7.637 -7.602 6.402 1.00 0.00 C ATOM 381 CE2 TYR A 27 5.312 -7.191 6.780 1.00 0.00 C ATOM 382 CZ TYR A 27 6.589 -7.374 7.267 1.00 0.00 C ATOM 383 OH TYR A 27 6.818 -7.329 8.623 1.00 0.00 O ATOM 0 H TYR A 27 6.443 -5.444 0.620 1.00 0.00 H new ATOM 0 HA TYR A 27 7.696 -6.375 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.879 -7.123 2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.886 -8.552 2.707 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.228 -7.824 4.365 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.085 -7.091 5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.636 -7.746 6.786 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.492 -7.013 7.460 1.00 0.00 H new ATOM 0 HH TYR A 27 5.974 -7.158 9.092 1.00 0.00 H new ATOM 393 N ARG A 28 8.697 -8.151 1.455 1.00 0.00 N ATOM 394 CA ARG A 28 9.401 -9.038 0.537 1.00 0.00 C ATOM 395 C ARG A 28 9.537 -8.413 -0.850 1.00 0.00 C ATOM 396 O ARG A 28 9.645 -9.119 -1.852 1.00 0.00 O ATOM 397 CB ARG A 28 8.669 -10.377 0.442 1.00 0.00 C ATOM 398 CG ARG A 28 9.577 -11.573 0.653 1.00 0.00 C ATOM 399 CD ARG A 28 8.782 -12.854 0.837 1.00 0.00 C ATOM 400 NE ARG A 28 9.520 -13.850 1.611 1.00 0.00 N ATOM 401 CZ ARG A 28 9.860 -13.695 2.888 1.00 0.00 C ATOM 402 NH1 ARG A 28 9.525 -12.588 3.542 1.00 0.00 N ATOM 403 NH2 ARG A 28 10.535 -14.648 3.516 1.00 0.00 N ATOM 0 H ARG A 28 9.186 -7.984 2.334 1.00 0.00 H new ATOM 0 HA ARG A 28 10.405 -9.201 0.929 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.871 -10.400 1.184 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.197 -10.456 -0.537 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.245 -11.678 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.204 -11.404 1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.842 -12.628 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.530 -13.268 -0.139 1.00 0.00 H new ATOM 0 HE ARG A 28 9.791 -14.716 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.005 -11.852 3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.788 -12.475 4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.794 -15.501 3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.795 -14.528 4.495 1.00 0.00 H new ATOM 417 N ALA A 29 9.529 -7.086 -0.897 1.00 0.00 N ATOM 418 CA ALA A 29 9.651 -6.356 -2.151 1.00 0.00 C ATOM 419 C ALA A 29 9.474 -4.862 -1.917 1.00 0.00 C ATOM 420 O ALA A 29 10.443 -4.104 -1.924 1.00 0.00 O ATOM 421 CB ALA A 29 8.631 -6.855 -3.164 1.00 0.00 C ATOM 0 H ALA A 29 9.439 -6.491 -0.074 1.00 0.00 H new ATOM 0 HA ALA A 29 10.650 -6.530 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.739 -6.297 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.797 -7.915 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.625 -6.711 -2.769 1.00 0.00 H new ATOM 427 N GLY A 30 8.230 -4.450 -1.695 1.00 0.00 N ATOM 428 CA GLY A 30 7.954 -3.051 -1.444 1.00 0.00 C ATOM 429 C GLY A 30 6.493 -2.695 -1.643 1.00 0.00 C ATOM 430 O GLY A 30 5.943 -1.879 -0.901 1.00 0.00 O ATOM 0 H GLY A 30 7.412 -5.059 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.247 -2.805 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.566 -2.440 -2.108 1.00 0.00 H new ATOM 434 N ASP A 31 5.852 -3.318 -2.627 1.00 0.00 N ATOM 435 CA ASP A 31 4.440 -3.070 -2.890 1.00 0.00 C ATOM 436 C ASP A 31 3.589 -4.044 -2.077 1.00 0.00 C ATOM 437 O ASP A 31 3.762 -4.140 -0.870 1.00 0.00 O ATOM 438 CB ASP A 31 4.146 -3.146 -4.387 1.00 0.00 C ATOM 439 CG ASP A 31 4.642 -4.421 -5.015 1.00 0.00 C ATOM 440 OD1 ASP A 31 4.057 -5.483 -4.726 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.615 -4.357 -5.796 1.00 0.00 O ATOM 0 H ASP A 31 6.287 -3.996 -3.253 1.00 0.00 H new ATOM 0 HA ASP A 31 4.182 -2.059 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.071 -3.062 -4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.609 -2.296 -4.887 1.00 0.00 H new ATOM 446 N MET A 32 2.676 -4.761 -2.714 1.00 0.00 N ATOM 447 CA MET A 32 1.824 -5.695 -1.997 1.00 0.00 C ATOM 448 C MET A 32 2.222 -7.144 -2.261 1.00 0.00 C ATOM 449 O MET A 32 2.295 -7.575 -3.412 1.00 0.00 O ATOM 450 CB MET A 32 0.386 -5.475 -2.428 1.00 0.00 C ATOM 451 CG MET A 32 -0.259 -4.258 -1.789 1.00 0.00 C ATOM 452 SD MET A 32 -1.904 -3.921 -2.442 1.00 0.00 S ATOM 453 CE MET A 32 -2.857 -5.213 -1.648 1.00 0.00 C ATOM 0 H MET A 32 2.507 -4.714 -3.719 1.00 0.00 H new ATOM 0 HA MET A 32 1.937 -5.513 -0.928 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.353 -5.367 -3.512 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.199 -6.360 -2.178 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.324 -4.410 -0.712 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.377 -3.388 -1.950 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.908 -4.927 -1.623 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.747 -6.142 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.496 -5.358 -0.630 1.00 0.00 H new ATOM 463 N ILE A 33 2.483 -7.891 -1.191 1.00 0.00 N ATOM 464 CA ILE A 33 2.875 -9.291 -1.316 1.00 0.00 C ATOM 465 C ILE A 33 1.848 -10.222 -0.711 1.00 0.00 C ATOM 466 O ILE A 33 1.342 -9.995 0.390 1.00 0.00 O ATOM 467 CB ILE A 33 4.225 -9.573 -0.639 1.00 0.00 C ATOM 468 CG1 ILE A 33 4.461 -11.086 -0.582 1.00 0.00 C ATOM 469 CG2 ILE A 33 4.258 -8.968 0.754 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.836 -11.502 -1.011 1.00 0.00 C ATOM 0 H ILE A 33 2.430 -7.551 -0.231 1.00 0.00 H new ATOM 0 HA ILE A 33 2.955 -9.476 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 33 5.023 -9.113 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.288 -11.433 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.727 -11.583 -1.217 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.221 -9.177 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.115 -7.890 0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.462 -9.402 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.926 -12.586 -0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.007 -11.187 -2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.577 -11.035 -0.362 1.00 0.00 H new ATOM 482 N CYS A 34 1.579 -11.293 -1.433 1.00 0.00 N ATOM 483 CA CYS A 34 0.658 -12.300 -0.978 1.00 0.00 C ATOM 484 C CYS A 34 1.401 -13.320 -0.135 1.00 0.00 C ATOM 485 O CYS A 34 1.987 -14.240 -0.677 1.00 0.00 O ATOM 486 CB CYS A 34 0.015 -12.989 -2.173 1.00 0.00 C ATOM 487 SG CYS A 34 -1.320 -14.121 -1.746 1.00 0.00 S ATOM 0 H CYS A 34 1.993 -11.483 -2.345 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.121 -11.832 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.372 -12.228 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.783 -13.540 -2.717 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.951 -14.475 -2.826 1.00 0.00 H new ATOM 493 N PRO A 35 1.377 -13.184 1.202 1.00 0.00 N ATOM 494 CA PRO A 35 2.067 -14.096 2.123 1.00 0.00 C ATOM 495 C PRO A 35 1.994 -15.561 1.709 1.00 0.00 C ATOM 496 O PRO A 35 2.790 -16.380 2.168 1.00 0.00 O ATOM 497 CB PRO A 35 1.340 -13.877 3.461 1.00 0.00 C ATOM 498 CG PRO A 35 0.253 -12.887 3.183 1.00 0.00 C ATOM 499 CD PRO A 35 0.665 -12.148 1.943 1.00 0.00 C ATOM 0 HA PRO A 35 3.135 -13.883 2.154 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.928 -14.813 3.839 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.025 -13.501 4.220 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.703 -13.390 3.037 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.128 -12.201 4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.193 -11.766 1.390 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.304 -11.294 2.169 1.00 0.00 H new ATOM 507 N GLU A 36 1.035 -15.893 0.865 1.00 0.00 N ATOM 508 CA GLU A 36 0.856 -17.260 0.419 1.00 0.00 C ATOM 509 C GLU A 36 1.745 -17.554 -0.781 1.00 0.00 C ATOM 510 O GLU A 36 2.708 -18.307 -0.678 1.00 0.00 O ATOM 511 CB GLU A 36 -0.611 -17.496 0.077 1.00 0.00 C ATOM 512 CG GLU A 36 -1.405 -18.129 1.209 1.00 0.00 C ATOM 513 CD GLU A 36 -0.951 -19.541 1.524 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.154 -19.922 1.085 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.701 -20.264 2.213 1.00 0.00 O ATOM 0 H GLU A 36 0.366 -15.230 0.474 1.00 0.00 H new ATOM 0 HA GLU A 36 1.146 -17.938 1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.071 -16.545 -0.191 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.672 -18.138 -0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.309 -17.513 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.462 -18.142 0.943 1.00 0.00 H new ATOM 522 N CYS A 37 1.469 -16.901 -1.900 1.00 0.00 N ATOM 523 CA CYS A 37 2.301 -17.070 -3.086 1.00 0.00 C ATOM 524 C CYS A 37 3.407 -16.040 -3.028 1.00 0.00 C ATOM 525 O CYS A 37 4.419 -16.140 -3.715 1.00 0.00 O ATOM 526 CB CYS A 37 1.502 -16.893 -4.384 1.00 0.00 C ATOM 527 SG CYS A 37 0.367 -15.487 -4.387 1.00 0.00 S ATOM 0 H CYS A 37 0.686 -16.257 -2.014 1.00 0.00 H new ATOM 0 HA CYS A 37 2.701 -18.084 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.201 -16.780 -5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.932 -17.803 -4.571 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.070 -15.279 -3.180 1.00 0.00 H new ATOM 533 N GLY A 38 3.167 -15.038 -2.194 1.00 0.00 N ATOM 534 CA GLY A 38 4.086 -13.952 -2.009 1.00 0.00 C ATOM 535 C GLY A 38 4.227 -13.130 -3.257 1.00 0.00 C ATOM 536 O GLY A 38 5.277 -12.545 -3.522 1.00 0.00 O ATOM 0 H GLY A 38 2.321 -14.966 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.742 -13.318 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.061 -14.345 -1.719 1.00 0.00 H new ATOM 540 N LEU A 39 3.144 -13.072 -4.012 1.00 0.00 N ATOM 541 CA LEU A 39 3.104 -12.301 -5.233 1.00 0.00 C ATOM 542 C LEU A 39 3.249 -10.837 -4.884 1.00 0.00 C ATOM 543 O LEU A 39 2.658 -10.373 -3.915 1.00 0.00 O ATOM 544 CB LEU A 39 1.783 -12.539 -5.955 1.00 0.00 C ATOM 545 CG LEU A 39 0.622 -11.687 -5.443 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.535 -10.413 -6.238 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.685 -12.443 -5.511 1.00 0.00 C ATOM 0 H LEU A 39 2.274 -13.557 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 39 3.917 -12.606 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.923 -12.340 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.515 -13.591 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 39 0.810 -11.444 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.294 -9.810 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.465 -9.854 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.371 -10.651 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.491 -11.810 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.890 -12.723 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.618 -13.342 -4.898 1.00 0.00 H new ATOM 559 N VAL A 40 4.056 -10.130 -5.646 1.00 0.00 N ATOM 560 CA VAL A 40 4.307 -8.737 -5.389 1.00 0.00 C ATOM 561 C VAL A 40 3.612 -7.861 -6.413 1.00 0.00 C ATOM 562 O VAL A 40 3.960 -7.878 -7.593 1.00 0.00 O ATOM 563 CB VAL A 40 5.820 -8.471 -5.416 1.00 0.00 C ATOM 564 CG1 VAL A 40 6.127 -7.007 -5.168 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.526 -9.359 -4.403 1.00 0.00 C ATOM 0 H VAL A 40 4.551 -10.506 -6.455 1.00 0.00 H new ATOM 0 HA VAL A 40 3.909 -8.491 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 40 6.193 -8.716 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.206 -6.852 -5.193 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.655 -6.400 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.741 -6.715 -4.191 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.598 -9.162 -4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.144 -9.147 -3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.343 -10.406 -4.647 1.00 0.00 H new ATOM 575 N VAL A 41 2.647 -7.070 -5.959 1.00 0.00 N ATOM 576 CA VAL A 41 1.943 -6.170 -6.848 1.00 0.00 C ATOM 577 C VAL A 41 1.941 -4.752 -6.287 1.00 0.00 C ATOM 578 O VAL A 41 1.699 -4.549 -5.099 1.00 0.00 O ATOM 579 CB VAL A 41 0.480 -6.586 -7.096 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.221 -5.582 -8.001 1.00 0.00 C ATOM 581 CG2 VAL A 41 0.411 -7.975 -7.701 1.00 0.00 C ATOM 0 H VAL A 41 2.340 -7.037 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 41 2.479 -6.214 -7.796 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.032 -6.602 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.252 -5.896 -8.162 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.210 -4.599 -7.531 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.297 -5.532 -8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.631 -8.248 -7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.945 -7.985 -8.651 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.869 -8.692 -7.020 1.00 0.00 H new ATOM 591 N GLY A 42 2.210 -3.787 -7.153 1.00 0.00 N ATOM 592 CA GLY A 42 2.226 -2.405 -6.741 1.00 0.00 C ATOM 593 C GLY A 42 3.546 -1.748 -7.056 1.00 0.00 C ATOM 594 O GLY A 42 4.312 -2.251 -7.875 1.00 0.00 O ATOM 0 H GLY A 42 2.418 -3.941 -8.140 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.422 -1.866 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.034 -2.342 -5.670 1.00 0.00 H new ATOM 598 N ASP A 43 3.817 -0.625 -6.406 1.00 0.00 N ATOM 599 CA ASP A 43 5.059 0.104 -6.625 1.00 0.00 C ATOM 600 C ASP A 43 6.253 -0.840 -6.763 1.00 0.00 C ATOM 601 O ASP A 43 6.726 -1.411 -5.781 1.00 0.00 O ATOM 602 CB ASP A 43 5.303 1.082 -5.474 1.00 0.00 C ATOM 603 CG ASP A 43 4.497 2.357 -5.619 1.00 0.00 C ATOM 604 OD1 ASP A 43 3.251 2.276 -5.602 1.00 0.00 O ATOM 605 OD2 ASP A 43 5.112 3.436 -5.752 1.00 0.00 O ATOM 0 H ASP A 43 3.193 -0.198 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 43 4.958 0.655 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.048 0.599 -4.530 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.364 1.329 -5.429 1.00 0.00 H new ATOM 610 N ARG A 44 6.731 -0.997 -7.995 1.00 0.00 N ATOM 611 CA ARG A 44 7.868 -1.869 -8.274 1.00 0.00 C ATOM 612 C ARG A 44 9.075 -1.485 -7.421 1.00 0.00 C ATOM 613 O ARG A 44 9.894 -2.334 -7.071 1.00 0.00 O ATOM 614 CB ARG A 44 8.234 -1.803 -9.758 1.00 0.00 C ATOM 615 CG ARG A 44 8.337 -0.386 -10.302 1.00 0.00 C ATOM 616 CD ARG A 44 7.606 -0.236 -11.625 1.00 0.00 C ATOM 617 NE ARG A 44 8.415 0.467 -12.619 1.00 0.00 N ATOM 618 CZ ARG A 44 7.999 0.746 -13.852 1.00 0.00 C ATOM 619 NH1 ARG A 44 6.782 0.389 -14.246 1.00 0.00 N ATOM 620 NH2 ARG A 44 8.799 1.388 -14.692 1.00 0.00 N ATOM 0 H ARG A 44 6.347 -0.531 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 44 7.581 -2.890 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.186 -2.311 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.485 -2.349 -10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.922 0.313 -9.576 1.00 0.00 H new ATOM 0 HG3 ARG A 44 9.386 -0.123 -10.434 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.339 -1.222 -12.006 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.675 0.307 -11.465 1.00 0.00 H new ATOM 0 HE ARG A 44 9.354 0.761 -12.352 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.161 -0.102 -13.602 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.468 0.605 -15.192 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.733 1.668 -14.393 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.480 1.602 -15.637 1.00 0.00 H new ATOM 634 N VAL A 45 9.177 -0.203 -7.088 1.00 0.00 N ATOM 635 CA VAL A 45 10.281 0.290 -6.274 1.00 0.00 C ATOM 636 C VAL A 45 9.761 1.230 -5.173 1.00 0.00 C ATOM 637 O VAL A 45 8.824 0.878 -4.457 1.00 0.00 O ATOM 638 CB VAL A 45 11.347 0.997 -7.142 1.00 0.00 C ATOM 639 CG1 VAL A 45 12.673 1.079 -6.401 1.00 0.00 C ATOM 640 CG2 VAL A 45 11.525 0.275 -8.471 1.00 0.00 C ATOM 0 H VAL A 45 8.508 0.514 -7.370 1.00 0.00 H new ATOM 0 HA VAL A 45 10.758 -0.568 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 45 11.002 2.011 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.410 1.580 -7.029 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.540 1.643 -5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 45 13.021 0.073 -6.165 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.280 0.789 -9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.844 -0.751 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.579 0.269 -9.012 1.00 0.00 H new ATOM 650 N ILE A 46 10.357 2.416 -5.032 1.00 0.00 N ATOM 651 CA ILE A 46 9.923 3.363 -4.014 1.00 0.00 C ATOM 652 C ILE A 46 10.713 4.666 -4.102 1.00 0.00 C ATOM 653 O ILE A 46 11.927 4.654 -4.311 1.00 0.00 O ATOM 654 CB ILE A 46 10.076 2.772 -2.596 1.00 0.00 C ATOM 655 CG1 ILE A 46 9.494 3.727 -1.552 1.00 0.00 C ATOM 656 CG2 ILE A 46 11.536 2.474 -2.295 1.00 0.00 C ATOM 657 CD1 ILE A 46 7.985 3.660 -1.446 1.00 0.00 C ATOM 0 H ILE A 46 11.135 2.738 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 46 8.869 3.570 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 46 9.521 1.835 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.929 3.498 -0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.788 4.747 -1.800 1.00 0.00 H new ATOM 0 HG21 ILE A 46 11.623 2.058 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.918 1.755 -3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 46 12.116 3.395 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.642 4.363 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.541 3.918 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.684 2.650 -1.167 1.00 0.00 H new ATOM 669 N ASP A 47 10.018 5.786 -3.946 1.00 0.00 N ATOM 670 CA ASP A 47 10.656 7.097 -4.009 1.00 0.00 C ATOM 671 C ASP A 47 9.691 8.194 -3.571 1.00 0.00 C ATOM 672 O ASP A 47 8.924 8.719 -4.379 1.00 0.00 O ATOM 673 CB ASP A 47 11.161 7.378 -5.427 1.00 0.00 C ATOM 674 CG ASP A 47 10.167 6.959 -6.493 1.00 0.00 C ATOM 675 OD1 ASP A 47 8.949 7.107 -6.262 1.00 0.00 O ATOM 676 OD2 ASP A 47 10.608 6.482 -7.561 1.00 0.00 O ATOM 0 H ASP A 47 9.013 5.814 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 47 11.505 7.092 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.371 8.443 -5.530 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.102 6.851 -5.585 1.00 0.00 H new ATOM 681 N VAL A 48 9.738 8.539 -2.288 1.00 0.00 N ATOM 682 CA VAL A 48 8.869 9.574 -1.743 1.00 0.00 C ATOM 683 C VAL A 48 9.683 10.724 -1.161 1.00 0.00 C ATOM 684 O VAL A 48 9.551 11.872 -1.588 1.00 0.00 O ATOM 685 CB VAL A 48 7.941 9.013 -0.648 1.00 0.00 C ATOM 686 CG1 VAL A 48 6.904 10.048 -0.244 1.00 0.00 C ATOM 687 CG2 VAL A 48 7.270 7.732 -1.123 1.00 0.00 C ATOM 0 H VAL A 48 10.369 8.116 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 48 8.261 9.942 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 48 8.544 8.777 0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.258 9.633 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.406 10.936 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.302 10.318 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.618 7.350 -0.337 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.679 7.940 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.031 6.988 -1.357 1.00 0.00 H new ATOM 697 N GLY A 49 10.528 10.409 -0.184 1.00 0.00 N ATOM 698 CA GLY A 49 11.353 11.426 0.440 1.00 0.00 C ATOM 699 C GLY A 49 12.811 11.317 0.041 1.00 0.00 C ATOM 700 O GLY A 49 13.693 11.249 0.896 1.00 0.00 O ATOM 0 H GLY A 49 10.656 9.467 0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.978 12.412 0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.269 11.343 1.524 1.00 0.00 H new ATOM 704 N SER A 50 13.064 11.299 -1.265 1.00 0.00 N ATOM 705 CA SER A 50 14.425 11.197 -1.778 1.00 0.00 C ATOM 706 C SER A 50 15.137 12.546 -1.712 1.00 0.00 C ATOM 707 O SER A 50 16.361 12.606 -1.596 1.00 0.00 O ATOM 708 CB SER A 50 14.411 10.686 -3.220 1.00 0.00 C ATOM 709 OG SER A 50 15.726 10.581 -3.738 1.00 0.00 O ATOM 0 H SER A 50 12.344 11.354 -1.986 1.00 0.00 H new ATOM 0 HA SER A 50 14.969 10.489 -1.153 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.923 9.712 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.825 11.362 -3.843 1.00 0.00 H new ATOM 0 HG SER A 50 15.689 10.251 -4.660 1.00 0.00 H new ATOM 715 N GLU A 51 14.364 13.626 -1.786 1.00 0.00 N ATOM 716 CA GLU A 51 14.923 14.972 -1.734 1.00 0.00 C ATOM 717 C GLU A 51 15.719 15.185 -0.450 1.00 0.00 C ATOM 718 O GLU A 51 15.147 15.378 0.622 1.00 0.00 O ATOM 719 CB GLU A 51 13.806 16.015 -1.834 1.00 0.00 C ATOM 720 CG GLU A 51 14.280 17.366 -2.342 1.00 0.00 C ATOM 721 CD GLU A 51 13.428 18.511 -1.832 1.00 0.00 C ATOM 722 OE1 GLU A 51 12.740 18.328 -0.806 1.00 0.00 O ATOM 723 OE2 GLU A 51 13.448 19.591 -2.460 1.00 0.00 O ATOM 0 H GLU A 51 13.349 13.595 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 51 15.599 15.089 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.028 15.639 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.352 16.144 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.314 17.523 -2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.267 17.365 -3.432 1.00 0.00 H new ATOM 730 N TRP A 52 17.042 15.145 -0.568 1.00 0.00 N ATOM 731 CA TRP A 52 17.921 15.331 0.582 1.00 0.00 C ATOM 732 C TRP A 52 17.695 14.232 1.621 1.00 0.00 C ATOM 733 O TRP A 52 18.425 13.242 1.651 1.00 0.00 O ATOM 734 CB TRP A 52 17.695 16.714 1.205 1.00 0.00 C ATOM 735 CG TRP A 52 18.876 17.632 1.080 1.00 0.00 C ATOM 736 CD1 TRP A 52 19.925 17.515 0.212 1.00 0.00 C ATOM 737 CD2 TRP A 52 19.123 18.813 1.851 1.00 0.00 C ATOM 738 NE1 TRP A 52 20.809 18.548 0.401 1.00 0.00 N ATOM 739 CE2 TRP A 52 20.340 19.359 1.399 1.00 0.00 C ATOM 740 CE3 TRP A 52 18.433 19.461 2.880 1.00 0.00 C ATOM 741 CZ2 TRP A 52 20.881 20.522 1.942 1.00 0.00 C ATOM 742 CZ3 TRP A 52 18.972 20.616 3.418 1.00 0.00 C ATOM 743 CH2 TRP A 52 20.184 21.137 2.948 1.00 0.00 C ATOM 0 H TRP A 52 17.530 14.985 -1.449 1.00 0.00 H new ATOM 0 HA TRP A 52 18.954 15.267 0.239 1.00 0.00 H new ATOM 0 HB2 TRP A 52 16.832 17.180 0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 52 17.451 16.592 2.260 1.00 0.00 H new ATOM 0 HD1 TRP A 52 20.041 16.726 -0.516 1.00 0.00 H new ATOM 0 HE1 TRP A 52 21.676 18.689 -0.118 1.00 0.00 H new ATOM 0 HE3 TRP A 52 17.497 19.067 3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 21.817 20.924 1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 18.449 21.125 4.214 1.00 0.00 H new ATOM 0 HH2 TRP A 52 20.577 22.042 3.388 1.00 0.00 H new ATOM 754 N ARG A 53 16.681 14.412 2.468 1.00 0.00 N ATOM 755 CA ARG A 53 16.357 13.436 3.508 1.00 0.00 C ATOM 756 C ARG A 53 17.619 12.924 4.204 1.00 0.00 C ATOM 757 O ARG A 53 17.980 11.754 4.077 1.00 0.00 O ATOM 758 CB ARG A 53 15.575 12.266 2.909 1.00 0.00 C ATOM 759 CG ARG A 53 14.462 11.754 3.809 1.00 0.00 C ATOM 760 CD ARG A 53 14.948 10.632 4.712 1.00 0.00 C ATOM 761 NE ARG A 53 13.952 10.270 5.719 1.00 0.00 N ATOM 762 CZ ARG A 53 13.748 10.958 6.841 1.00 0.00 C ATOM 763 NH1 ARG A 53 14.468 12.043 7.103 1.00 0.00 N ATOM 764 NH2 ARG A 53 12.822 10.560 7.702 1.00 0.00 N ATOM 0 H ARG A 53 16.068 15.227 2.454 1.00 0.00 H new ATOM 0 HA ARG A 53 15.739 13.935 4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.147 12.576 1.956 1.00 0.00 H new ATOM 0 HB3 ARG A 53 16.265 11.449 2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.079 12.573 4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.633 11.397 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.187 9.757 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.870 10.938 5.207 1.00 0.00 H new ATOM 0 HE ARG A 53 13.380 9.442 5.553 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.181 12.353 6.443 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.307 12.566 7.964 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.267 9.728 7.505 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.665 11.086 8.562 1.00 0.00 H new ATOM 778 N THR A 54 18.287 13.809 4.937 1.00 0.00 N ATOM 779 CA THR A 54 19.507 13.444 5.648 1.00 0.00 C ATOM 780 C THR A 54 19.429 13.856 7.115 1.00 0.00 C ATOM 781 O THR A 54 18.360 14.205 7.617 1.00 0.00 O ATOM 782 CB THR A 54 20.723 14.096 4.985 1.00 0.00 C ATOM 783 OG1 THR A 54 20.403 14.551 3.683 1.00 0.00 O ATOM 784 CG2 THR A 54 21.909 13.164 4.864 1.00 0.00 C ATOM 0 H THR A 54 18.005 14.782 5.054 1.00 0.00 H new ATOM 0 HA THR A 54 19.614 12.360 5.601 1.00 0.00 H new ATOM 0 HB THR A 54 20.995 14.926 5.637 1.00 0.00 H new ATOM 0 HG1 THR A 54 21.193 14.966 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.736 13.688 4.386 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.214 12.833 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 54 21.632 12.298 4.262 1.00 0.00 H new ATOM 792 N PHE A 55 20.569 13.812 7.798 1.00 0.00 N ATOM 793 CA PHE A 55 20.633 14.181 9.208 1.00 0.00 C ATOM 794 C PHE A 55 21.167 15.601 9.376 1.00 0.00 C ATOM 795 O PHE A 55 22.217 15.814 9.981 1.00 0.00 O ATOM 796 CB PHE A 55 21.514 13.193 9.979 1.00 0.00 C ATOM 797 CG PHE A 55 22.798 12.854 9.277 1.00 0.00 C ATOM 798 CD1 PHE A 55 22.852 11.806 8.372 1.00 0.00 C ATOM 799 CD2 PHE A 55 23.951 13.581 9.524 1.00 0.00 C ATOM 800 CE1 PHE A 55 24.032 11.491 7.726 1.00 0.00 C ATOM 801 CE2 PHE A 55 25.134 13.271 8.880 1.00 0.00 C ATOM 802 CZ PHE A 55 25.175 12.225 7.979 1.00 0.00 C ATOM 0 H PHE A 55 21.462 13.524 7.397 1.00 0.00 H new ATOM 0 HA PHE A 55 19.622 14.144 9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 55 21.745 13.613 10.958 1.00 0.00 H new ATOM 0 HB3 PHE A 55 20.951 12.276 10.151 1.00 0.00 H new ATOM 0 HD1 PHE A 55 21.962 11.229 8.169 1.00 0.00 H new ATOM 0 HD2 PHE A 55 23.925 14.400 10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 55 24.061 10.671 7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 55 26.026 13.846 9.081 1.00 0.00 H new ATOM 0 HZ PHE A 55 26.098 11.981 7.474 1.00 0.00 H new ATOM 812 N SER A 56 20.436 16.570 8.835 1.00 0.00 N ATOM 813 CA SER A 56 20.835 17.969 8.923 1.00 0.00 C ATOM 814 C SER A 56 22.177 18.197 8.232 1.00 0.00 C ATOM 815 O SER A 56 22.877 17.246 7.889 1.00 0.00 O ATOM 816 CB SER A 56 20.920 18.407 10.387 1.00 0.00 C ATOM 817 OG SER A 56 19.690 18.189 11.057 1.00 0.00 O ATOM 0 H SER A 56 19.564 16.411 8.331 1.00 0.00 H new ATOM 0 HA SER A 56 20.079 18.569 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.714 17.855 10.889 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.184 19.463 10.439 1.00 0.00 H new ATOM 0 HG SER A 56 19.771 18.475 11.991 1.00 0.00 H new ATOM 823 N ASN A 57 22.527 19.464 8.034 1.00 0.00 N ATOM 824 CA ASN A 57 23.785 19.815 7.385 1.00 0.00 C ATOM 825 C ASN A 57 24.970 19.532 8.303 1.00 0.00 C ATOM 826 O ASN A 57 24.928 19.829 9.497 1.00 0.00 O ATOM 827 CB ASN A 57 23.777 21.291 6.981 1.00 0.00 C ATOM 828 CG ASN A 57 23.346 21.495 5.542 1.00 0.00 C ATOM 829 OD1 ASN A 57 23.635 20.672 4.672 1.00 0.00 O ATOM 830 ND2 ASN A 57 22.649 22.595 5.283 1.00 0.00 N ATOM 0 H ASN A 57 21.958 20.263 8.313 1.00 0.00 H new ATOM 0 HA ASN A 57 23.889 19.200 6.491 1.00 0.00 H new ATOM 0 HB2 ASN A 57 23.105 21.841 7.640 1.00 0.00 H new ATOM 0 HB3 ASN A 57 24.774 21.708 7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 57 22.331 22.785 4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 57 22.432 23.250 6.034 1.00 0.00 H new ATOM 837 N ASP A 58 26.024 18.957 7.736 1.00 0.00 N ATOM 838 CA ASP A 58 27.222 18.634 8.502 1.00 0.00 C ATOM 839 C ASP A 58 28.387 19.529 8.093 1.00 0.00 C ATOM 840 O ASP A 58 28.923 20.281 8.908 1.00 0.00 O ATOM 841 CB ASP A 58 27.599 17.164 8.306 1.00 0.00 C ATOM 842 CG ASP A 58 28.137 16.530 9.573 1.00 0.00 C ATOM 843 OD1 ASP A 58 28.609 17.277 10.456 1.00 0.00 O ATOM 844 OD2 ASP A 58 28.087 15.286 9.682 1.00 0.00 O ATOM 0 H ASP A 58 26.074 18.705 6.749 1.00 0.00 H new ATOM 0 HA ASP A 58 27.006 18.808 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 58 26.723 16.609 7.969 1.00 0.00 H new ATOM 0 HB3 ASP A 58 28.348 17.086 7.518 1.00 0.00 H new ATOM 849 N LYS A 59 28.775 19.441 6.824 1.00 0.00 N ATOM 850 CA LYS A 59 29.878 20.244 6.306 1.00 0.00 C ATOM 851 C LYS A 59 29.353 21.455 5.540 1.00 0.00 C ATOM 852 O LYS A 59 28.223 21.378 5.016 1.00 0.00 O ATOM 853 CB LYS A 59 30.770 19.395 5.398 1.00 0.00 C ATOM 854 CG LYS A 59 32.031 18.893 6.082 1.00 0.00 C ATOM 855 CD LYS A 59 32.395 17.491 5.622 1.00 0.00 C ATOM 856 CE LYS A 59 31.879 16.437 6.586 1.00 0.00 C ATOM 857 NZ LYS A 59 30.513 15.970 6.220 1.00 0.00 N ATOM 0 H LYS A 59 28.343 18.823 6.137 1.00 0.00 H new ATOM 0 HA LYS A 59 30.468 20.600 7.151 1.00 0.00 H new ATOM 0 HB2 LYS A 59 30.198 18.541 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 59 31.050 19.984 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 32.856 19.572 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 59 31.886 18.896 7.162 1.00 0.00 H new ATOM 0 HD2 LYS A 59 31.979 17.313 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 59 33.478 17.406 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 59 32.562 15.588 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 59 31.864 16.845 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 30.143 15.355 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 29.885 16.791 6.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 30.556 15.437 5.328 1.00 0.00 H new TER 871 LYS A 59