USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 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 148:sc= -2.12 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.65! C(o=-16!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 71:sc= -3.49 USER MOD Set 1.4: A 37 CYS SG : rot -38:sc= -3.44! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.323 K(o=-0.32,f=-2.5!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -28.038 4.808 2.062 1.00 0.00 N ATOM 2 CA ALA A 2 -27.818 6.157 1.482 1.00 0.00 C ATOM 3 C ALA A 2 -26.907 6.088 0.261 1.00 0.00 C ATOM 4 O ALA A 2 -26.344 5.036 -0.046 1.00 0.00 O ATOM 5 CB ALA A 2 -27.229 7.092 2.528 1.00 0.00 C ATOM 0 HA ALA A 2 -28.783 6.549 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -27.073 8.077 2.089 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.916 7.175 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.275 6.695 2.876 1.00 0.00 H new ATOM 10 N SER A 3 -26.766 7.213 -0.432 1.00 0.00 N ATOM 11 CA SER A 3 -25.923 7.278 -1.620 1.00 0.00 C ATOM 12 C SER A 3 -24.527 7.786 -1.270 1.00 0.00 C ATOM 13 O SER A 3 -24.029 8.736 -1.873 1.00 0.00 O ATOM 14 CB SER A 3 -26.561 8.184 -2.675 1.00 0.00 C ATOM 15 OG SER A 3 -27.971 8.047 -2.680 1.00 0.00 O ATOM 0 H SER A 3 -27.224 8.092 -0.191 1.00 0.00 H new ATOM 0 HA SER A 3 -25.831 6.271 -2.026 1.00 0.00 H new ATOM 0 HB2 SER A 3 -26.294 9.222 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 -26.165 7.936 -3.660 1.00 0.00 H new ATOM 0 HG SER A 3 -28.355 8.638 -3.362 1.00 0.00 H new ATOM 21 N THR A 4 -23.897 7.139 -0.294 1.00 0.00 N ATOM 22 CA THR A 4 -22.557 7.521 0.135 1.00 0.00 C ATOM 23 C THR A 4 -21.661 6.293 0.261 1.00 0.00 C ATOM 24 O THR A 4 -20.754 6.255 1.092 1.00 0.00 O ATOM 25 CB THR A 4 -22.617 8.265 1.471 1.00 0.00 C ATOM 26 OG1 THR A 4 -23.915 8.787 1.699 1.00 0.00 O ATOM 27 CG2 THR A 4 -21.639 9.418 1.558 1.00 0.00 C ATOM 0 H THR A 4 -24.293 6.348 0.214 1.00 0.00 H new ATOM 0 HA THR A 4 -22.134 8.184 -0.620 1.00 0.00 H new ATOM 0 HB THR A 4 -22.351 7.524 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 4 -23.932 9.257 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 4 -21.733 9.902 2.530 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.623 9.043 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 4 -21.856 10.140 0.770 1.00 0.00 H new ATOM 35 N SER A 5 -21.925 5.290 -0.571 1.00 0.00 N ATOM 36 CA SER A 5 -21.145 4.058 -0.556 1.00 0.00 C ATOM 37 C SER A 5 -20.529 3.787 -1.927 1.00 0.00 C ATOM 38 O SER A 5 -21.082 3.036 -2.730 1.00 0.00 O ATOM 39 CB SER A 5 -22.027 2.878 -0.135 1.00 0.00 C ATOM 40 OG SER A 5 -21.439 2.156 0.932 1.00 0.00 O ATOM 0 H SER A 5 -22.673 5.307 -1.264 1.00 0.00 H new ATOM 0 HA SER A 5 -20.338 4.175 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.009 3.243 0.167 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.182 2.214 -0.986 1.00 0.00 H new ATOM 0 HG SER A 5 -22.022 1.410 1.183 1.00 0.00 H new ATOM 46 N ARG A 6 -19.383 4.405 -2.186 1.00 0.00 N ATOM 47 CA ARG A 6 -18.691 4.231 -3.459 1.00 0.00 C ATOM 48 C ARG A 6 -17.748 3.034 -3.405 1.00 0.00 C ATOM 49 O ARG A 6 -17.699 2.314 -2.408 1.00 0.00 O ATOM 50 CB ARG A 6 -17.912 5.498 -3.814 1.00 0.00 C ATOM 51 CG ARG A 6 -18.763 6.569 -4.479 1.00 0.00 C ATOM 52 CD ARG A 6 -18.938 6.298 -5.965 1.00 0.00 C ATOM 53 NE ARG A 6 -20.212 5.644 -6.256 1.00 0.00 N ATOM 54 CZ ARG A 6 -21.399 6.216 -6.065 1.00 0.00 C ATOM 55 NH1 ARG A 6 -21.480 7.449 -5.582 1.00 0.00 N ATOM 56 NH2 ARG A 6 -22.508 5.551 -6.358 1.00 0.00 N ATOM 0 H ARG A 6 -18.913 5.031 -1.532 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.438 4.045 -4.231 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.469 5.909 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.089 5.235 -4.479 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -19.740 6.610 -3.998 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -18.298 7.545 -4.338 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.879 7.238 -6.514 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -18.119 5.671 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.191 4.694 -6.627 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -20.630 7.965 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.393 7.881 -5.438 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.451 4.603 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -23.418 5.988 -6.212 1.00 0.00 H new ATOM 70 N LEU A 7 -17.002 2.824 -4.486 1.00 0.00 N ATOM 71 CA LEU A 7 -16.060 1.711 -4.565 1.00 0.00 C ATOM 72 C LEU A 7 -15.140 1.681 -3.347 1.00 0.00 C ATOM 73 O LEU A 7 -14.114 2.361 -3.316 1.00 0.00 O ATOM 74 CB LEU A 7 -15.227 1.813 -5.846 1.00 0.00 C ATOM 75 CG LEU A 7 -15.706 0.932 -7.000 1.00 0.00 C ATOM 76 CD1 LEU A 7 -14.914 1.231 -8.264 1.00 0.00 C ATOM 77 CD2 LEU A 7 -15.588 -0.539 -6.632 1.00 0.00 C ATOM 0 H LEU A 7 -17.031 3.410 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.634 0.785 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -15.224 2.851 -6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.195 1.551 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.756 1.156 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.269 0.595 -9.075 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.048 2.277 -8.539 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.857 1.036 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.933 -1.151 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.547 -0.777 -6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -16.199 -0.744 -5.753 1.00 0.00 H new ATOM 89 N ASP A 8 -15.515 0.890 -2.347 1.00 0.00 N ATOM 90 CA ASP A 8 -14.723 0.770 -1.129 1.00 0.00 C ATOM 91 C ASP A 8 -13.422 0.022 -1.398 1.00 0.00 C ATOM 92 O ASP A 8 -12.407 0.268 -0.745 1.00 0.00 O ATOM 93 CB ASP A 8 -15.526 0.051 -0.043 1.00 0.00 C ATOM 94 CG ASP A 8 -16.028 -1.306 -0.497 1.00 0.00 C ATOM 95 OD1 ASP A 8 -15.999 -1.575 -1.717 1.00 0.00 O ATOM 96 OD2 ASP A 8 -16.452 -2.102 0.368 1.00 0.00 O ATOM 0 H ASP A 8 -16.363 0.323 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.477 1.774 -0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.903 -0.073 0.843 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.374 0.670 0.248 1.00 0.00 H new ATOM 101 N ALA A 9 -13.458 -0.891 -2.364 1.00 0.00 N ATOM 102 CA ALA A 9 -12.281 -1.674 -2.719 1.00 0.00 C ATOM 103 C ALA A 9 -11.985 -1.575 -4.211 1.00 0.00 C ATOM 104 O ALA A 9 -12.867 -1.790 -5.045 1.00 0.00 O ATOM 105 CB ALA A 9 -12.471 -3.128 -2.310 1.00 0.00 C ATOM 0 H ALA A 9 -14.289 -1.106 -2.914 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.427 -1.266 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.584 -3.701 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.625 -3.186 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.340 -3.540 -2.823 1.00 0.00 H new ATOM 111 N LEU A 10 -10.741 -1.247 -4.543 1.00 0.00 N ATOM 112 CA LEU A 10 -10.328 -1.116 -5.938 1.00 0.00 C ATOM 113 C LEU A 10 -9.934 -2.473 -6.523 1.00 0.00 C ATOM 114 O LEU A 10 -10.476 -2.894 -7.545 1.00 0.00 O ATOM 115 CB LEU A 10 -9.161 -0.128 -6.079 1.00 0.00 C ATOM 116 CG LEU A 10 -8.897 0.767 -4.864 1.00 0.00 C ATOM 117 CD1 LEU A 10 -7.754 1.728 -5.149 1.00 0.00 C ATOM 118 CD2 LEU A 10 -10.156 1.531 -4.480 1.00 0.00 C ATOM 0 H LEU A 10 -10.000 -1.067 -3.866 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.181 -0.729 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.254 -0.694 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.351 0.510 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.611 0.133 -4.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.580 2.356 -4.275 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.850 1.162 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.011 2.356 -6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.949 2.161 -3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.473 2.154 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.949 0.825 -4.233 1.00 0.00 H new ATOM 130 N PRO A 11 -8.983 -3.177 -5.884 1.00 0.00 N ATOM 131 CA PRO A 11 -8.525 -4.487 -6.354 1.00 0.00 C ATOM 132 C PRO A 11 -9.501 -5.602 -5.988 1.00 0.00 C ATOM 133 O PRO A 11 -10.671 -5.343 -5.705 1.00 0.00 O ATOM 134 CB PRO A 11 -7.195 -4.665 -5.620 1.00 0.00 C ATOM 135 CG PRO A 11 -7.366 -3.912 -4.347 1.00 0.00 C ATOM 136 CD PRO A 11 -8.280 -2.756 -4.655 1.00 0.00 C ATOM 0 HA PRO A 11 -8.439 -4.536 -7.439 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.983 -5.718 -5.433 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.364 -4.272 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.794 -4.550 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.405 -3.558 -3.973 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.978 -2.570 -3.839 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.720 -1.834 -4.811 1.00 0.00 H new ATOM 144 N ARG A 12 -9.016 -6.841 -5.992 1.00 0.00 N ATOM 145 CA ARG A 12 -9.851 -7.991 -5.657 1.00 0.00 C ATOM 146 C ARG A 12 -9.858 -8.247 -4.149 1.00 0.00 C ATOM 147 O ARG A 12 -10.103 -9.367 -3.704 1.00 0.00 O ATOM 148 CB ARG A 12 -9.357 -9.235 -6.396 1.00 0.00 C ATOM 149 CG ARG A 12 -10.455 -9.978 -7.143 1.00 0.00 C ATOM 150 CD ARG A 12 -10.459 -9.636 -8.625 1.00 0.00 C ATOM 151 NE ARG A 12 -10.045 -10.770 -9.449 1.00 0.00 N ATOM 152 CZ ARG A 12 -8.788 -11.002 -9.828 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.811 -10.178 -9.466 1.00 0.00 N ATOM 154 NH2 ARG A 12 -8.507 -12.063 -10.572 1.00 0.00 N ATOM 0 H ARG A 12 -8.050 -7.074 -6.223 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.871 -7.769 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.582 -8.942 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.894 -9.913 -5.679 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.317 -11.052 -7.018 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.423 -9.728 -6.709 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.459 -9.318 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.791 -8.794 -8.805 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.764 -11.426 -9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.020 -9.360 -8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.852 -10.363 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.252 -12.700 -10.854 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.546 -12.242 -10.863 1.00 0.00 H new ATOM 168 N VAL A 13 -9.578 -7.199 -3.372 1.00 0.00 N ATOM 169 CA VAL A 13 -9.544 -7.279 -1.912 1.00 0.00 C ATOM 170 C VAL A 13 -8.665 -8.421 -1.396 1.00 0.00 C ATOM 171 O VAL A 13 -8.668 -8.714 -0.200 1.00 0.00 O ATOM 172 CB VAL A 13 -10.962 -7.412 -1.314 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.850 -6.277 -1.798 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.586 -8.760 -1.651 1.00 0.00 C ATOM 0 H VAL A 13 -9.368 -6.270 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.101 -6.340 -1.581 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.873 -7.351 -0.229 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.846 -6.385 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.423 -5.323 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -11.919 -6.308 -2.885 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.583 -8.819 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.657 -8.868 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.965 -9.560 -1.247 1.00 0.00 H new ATOM 184 N THR A 14 -7.912 -9.070 -2.286 1.00 0.00 N ATOM 185 CA THR A 14 -7.045 -10.173 -1.886 1.00 0.00 C ATOM 186 C THR A 14 -6.355 -10.790 -3.098 1.00 0.00 C ATOM 187 O THR A 14 -6.467 -10.287 -4.216 1.00 0.00 O ATOM 188 CB THR A 14 -7.850 -11.245 -1.144 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.234 -11.109 -1.414 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.669 -11.199 0.358 1.00 0.00 C ATOM 0 H THR A 14 -7.887 -8.851 -3.282 1.00 0.00 H new ATOM 0 HA THR A 14 -6.282 -9.775 -1.217 1.00 0.00 H new ATOM 0 HB THR A 14 -7.467 -12.198 -1.510 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.731 -11.803 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.267 -11.984 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.618 -11.351 0.603 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.992 -10.228 0.734 1.00 0.00 H new ATOM 198 N CYS A 15 -5.641 -11.885 -2.863 1.00 0.00 N ATOM 199 CA CYS A 15 -4.929 -12.585 -3.926 1.00 0.00 C ATOM 200 C CYS A 15 -5.906 -13.281 -4.869 1.00 0.00 C ATOM 201 O CYS A 15 -6.866 -13.910 -4.421 1.00 0.00 O ATOM 202 CB CYS A 15 -3.980 -13.617 -3.319 1.00 0.00 C ATOM 203 SG CYS A 15 -2.877 -14.416 -4.505 1.00 0.00 S ATOM 0 H CYS A 15 -5.540 -12.309 -1.941 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.359 -11.852 -4.497 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.377 -13.130 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.571 -14.384 -2.819 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.753 -14.711 -3.922 1.00 0.00 H new ATOM 209 N PRO A 16 -5.676 -13.193 -6.191 1.00 0.00 N ATOM 210 CA PRO A 16 -6.546 -13.834 -7.182 1.00 0.00 C ATOM 211 C PRO A 16 -6.569 -15.352 -7.025 1.00 0.00 C ATOM 212 O PRO A 16 -7.495 -16.018 -7.488 1.00 0.00 O ATOM 213 CB PRO A 16 -5.914 -13.445 -8.524 1.00 0.00 C ATOM 214 CG PRO A 16 -4.507 -13.086 -8.195 1.00 0.00 C ATOM 215 CD PRO A 16 -4.556 -12.477 -6.825 1.00 0.00 C ATOM 0 HA PRO A 16 -7.584 -13.516 -7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.955 -14.271 -9.234 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.440 -12.606 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.864 -13.966 -8.210 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.102 -12.383 -8.922 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.622 -12.625 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.734 -11.402 -6.866 1.00 0.00 H new ATOM 223 N ASN A 17 -5.547 -15.892 -6.369 1.00 0.00 N ATOM 224 CA ASN A 17 -5.448 -17.329 -6.146 1.00 0.00 C ATOM 225 C ASN A 17 -5.499 -17.662 -4.654 1.00 0.00 C ATOM 226 O ASN A 17 -5.660 -18.820 -4.276 1.00 0.00 O ATOM 227 CB ASN A 17 -4.153 -17.869 -6.760 1.00 0.00 C ATOM 228 CG ASN A 17 -4.400 -18.680 -8.017 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.862 -19.818 -7.954 1.00 0.00 O ATOM 230 ND2 ASN A 17 -4.089 -18.094 -9.168 1.00 0.00 N ATOM 0 H ASN A 17 -4.773 -15.353 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.301 -17.805 -6.629 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.490 -17.036 -6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.638 -18.490 -6.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.231 -18.590 -10.048 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.708 -17.148 -9.172 1.00 0.00 H new ATOM 237 N HIS A 18 -5.374 -16.639 -3.809 1.00 0.00 N ATOM 238 CA HIS A 18 -5.421 -16.838 -2.364 1.00 0.00 C ATOM 239 C HIS A 18 -6.403 -15.865 -1.714 1.00 0.00 C ATOM 240 O HIS A 18 -6.019 -14.774 -1.293 1.00 0.00 O ATOM 241 CB HIS A 18 -4.039 -16.657 -1.739 1.00 0.00 C ATOM 242 CG HIS A 18 -3.044 -17.714 -2.100 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.830 -17.429 -2.688 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.060 -19.055 -1.911 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.141 -18.543 -2.839 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.864 -19.546 -2.378 1.00 0.00 N ATOM 0 H HIS A 18 -5.240 -15.670 -4.099 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.758 -17.859 -2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.643 -15.687 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.146 -16.634 -0.655 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.514 -16.499 -2.964 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.863 -19.631 -1.475 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.153 -18.621 -3.267 1.00 0.00 H new ATOM 255 N PRO A 19 -7.685 -16.246 -1.612 1.00 0.00 N ATOM 256 CA PRO A 19 -8.711 -15.398 -1.002 1.00 0.00 C ATOM 257 C PRO A 19 -8.385 -15.065 0.450 1.00 0.00 C ATOM 258 O PRO A 19 -8.646 -13.957 0.918 1.00 0.00 O ATOM 259 CB PRO A 19 -9.989 -16.243 -1.084 1.00 0.00 C ATOM 260 CG PRO A 19 -9.521 -17.642 -1.307 1.00 0.00 C ATOM 261 CD PRO A 19 -8.234 -17.531 -2.071 1.00 0.00 C ATOM 0 HA PRO A 19 -8.797 -14.437 -1.510 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.572 -16.165 -0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.631 -15.908 -1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.369 -18.158 -0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.259 -18.216 -1.867 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.561 -18.359 -1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.402 -17.536 -3.148 1.00 0.00 H new ATOM 269 N ASP A 20 -7.818 -16.036 1.157 1.00 0.00 N ATOM 270 CA ASP A 20 -7.459 -15.853 2.557 1.00 0.00 C ATOM 271 C ASP A 20 -6.160 -15.062 2.701 1.00 0.00 C ATOM 272 O ASP A 20 -5.985 -14.309 3.658 1.00 0.00 O ATOM 273 CB ASP A 20 -7.319 -17.210 3.249 1.00 0.00 C ATOM 274 CG ASP A 20 -8.604 -18.015 3.207 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.469 -17.795 4.081 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.746 -18.862 2.301 1.00 0.00 O ATOM 0 H ASP A 20 -7.597 -16.959 0.782 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.258 -15.284 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.521 -17.778 2.771 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.023 -17.057 4.287 1.00 0.00 H new ATOM 281 N ALA A 21 -5.253 -15.239 1.746 1.00 0.00 N ATOM 282 CA ALA A 21 -3.970 -14.541 1.768 1.00 0.00 C ATOM 283 C ALA A 21 -4.139 -13.078 1.364 1.00 0.00 C ATOM 284 O ALA A 21 -3.992 -12.717 0.196 1.00 0.00 O ATOM 285 CB ALA A 21 -2.986 -15.247 0.855 1.00 0.00 C ATOM 0 H ALA A 21 -5.381 -15.859 0.947 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.578 -14.558 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.031 -14.723 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.844 -16.272 1.196 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.375 -15.254 -0.163 1.00 0.00 H new ATOM 291 N ILE A 22 -4.489 -12.263 2.349 1.00 0.00 N ATOM 292 CA ILE A 22 -4.731 -10.839 2.138 1.00 0.00 C ATOM 293 C ILE A 22 -3.452 -10.047 1.841 1.00 0.00 C ATOM 294 O ILE A 22 -2.971 -9.302 2.696 1.00 0.00 O ATOM 295 CB ILE A 22 -5.438 -10.204 3.352 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.524 -11.137 3.895 1.00 0.00 C ATOM 297 CG2 ILE A 22 -6.032 -8.860 2.961 1.00 0.00 C ATOM 298 CD1 ILE A 22 -6.219 -11.676 5.277 1.00 0.00 C ATOM 0 H ILE A 22 -4.613 -12.567 3.315 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.375 -10.783 1.260 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.704 -10.047 4.142 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.472 -10.600 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.651 -11.973 3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.530 -8.417 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.237 -8.196 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.755 -9.002 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.030 -12.329 5.600 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.287 -12.240 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.121 -10.847 5.977 1.00 0.00 H new ATOM 310 N LEU A 23 -2.918 -10.217 0.619 1.00 0.00 N ATOM 311 CA LEU A 23 -1.695 -9.515 0.180 1.00 0.00 C ATOM 312 C LEU A 23 -1.385 -8.348 1.112 1.00 0.00 C ATOM 313 O LEU A 23 -2.191 -7.438 1.273 1.00 0.00 O ATOM 314 CB LEU A 23 -1.847 -8.988 -1.253 1.00 0.00 C ATOM 315 CG LEU A 23 -1.359 -9.923 -2.363 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.497 -10.818 -2.826 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.796 -9.119 -3.529 1.00 0.00 C ATOM 0 H LEU A 23 -3.315 -10.837 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.875 -10.232 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.900 -8.765 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.304 -8.046 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.560 -10.551 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.141 -11.480 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.855 -11.414 -1.987 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.312 -10.203 -3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.454 -9.800 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.573 -8.468 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.042 -8.514 -3.183 1.00 0.00 H new ATOM 329 N VAL A 24 -0.237 -8.390 1.753 1.00 0.00 N ATOM 330 CA VAL A 24 0.120 -7.344 2.686 1.00 0.00 C ATOM 331 C VAL A 24 0.796 -6.167 2.007 1.00 0.00 C ATOM 332 O VAL A 24 1.454 -6.307 0.979 1.00 0.00 O ATOM 333 CB VAL A 24 0.990 -7.894 3.815 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.215 -6.839 4.890 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.324 -9.132 4.388 1.00 0.00 C ATOM 0 H VAL A 24 0.458 -9.129 1.647 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.810 -6.971 3.114 1.00 0.00 H new ATOM 0 HB VAL A 24 1.970 -8.164 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.837 -7.254 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.714 -5.974 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.255 -6.532 5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.936 -9.534 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.660 -8.869 4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.217 -9.883 3.605 1.00 0.00 H new ATOM 345 N GLU A 25 0.603 -5.011 2.619 1.00 0.00 N ATOM 346 CA GLU A 25 1.143 -3.765 2.138 1.00 0.00 C ATOM 347 C GLU A 25 2.635 -3.740 2.340 1.00 0.00 C ATOM 348 O GLU A 25 3.131 -4.020 3.430 1.00 0.00 O ATOM 349 CB GLU A 25 0.489 -2.582 2.856 1.00 0.00 C ATOM 350 CG GLU A 25 0.179 -1.411 1.939 1.00 0.00 C ATOM 351 CD GLU A 25 1.430 -0.706 1.452 1.00 0.00 C ATOM 352 OE1 GLU A 25 2.098 -1.242 0.544 1.00 0.00 O ATOM 353 OE2 GLU A 25 1.738 0.385 1.976 1.00 0.00 O ATOM 0 H GLU A 25 0.058 -4.918 3.476 1.00 0.00 H new ATOM 0 HA GLU A 25 0.928 -3.679 1.073 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.435 -2.919 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.148 -2.243 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.391 -1.767 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.453 -0.698 2.467 1.00 0.00 H new ATOM 360 N ASP A 26 3.338 -3.399 1.283 1.00 0.00 N ATOM 361 CA ASP A 26 4.777 -3.324 1.306 1.00 0.00 C ATOM 362 C ASP A 26 5.415 -4.531 1.986 1.00 0.00 C ATOM 363 O ASP A 26 5.318 -4.710 3.200 1.00 0.00 O ATOM 364 CB ASP A 26 5.244 -2.031 1.971 1.00 0.00 C ATOM 365 CG ASP A 26 6.539 -1.513 1.377 1.00 0.00 C ATOM 366 OD1 ASP A 26 7.604 -2.089 1.681 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.487 -0.531 0.608 1.00 0.00 O ATOM 0 H ASP A 26 2.923 -3.165 0.381 1.00 0.00 H new ATOM 0 HA ASP A 26 5.106 -3.328 0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.470 -1.271 1.866 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.380 -2.203 3.039 1.00 0.00 H new ATOM 372 N TYR A 27 6.090 -5.346 1.187 1.00 0.00 N ATOM 373 CA TYR A 27 6.762 -6.528 1.695 1.00 0.00 C ATOM 374 C TYR A 27 7.710 -7.093 0.648 1.00 0.00 C ATOM 375 O TYR A 27 7.667 -6.704 -0.518 1.00 0.00 O ATOM 376 CB TYR A 27 5.750 -7.591 2.109 1.00 0.00 C ATOM 377 CG TYR A 27 6.064 -8.235 3.442 1.00 0.00 C ATOM 378 CD1 TYR A 27 5.846 -7.556 4.633 1.00 0.00 C ATOM 379 CD2 TYR A 27 6.579 -9.524 3.505 1.00 0.00 C ATOM 380 CE1 TYR A 27 6.135 -8.141 5.851 1.00 0.00 C ATOM 381 CE2 TYR A 27 6.871 -10.116 4.719 1.00 0.00 C ATOM 382 CZ TYR A 27 6.646 -9.421 5.889 1.00 0.00 C ATOM 383 OH TYR A 27 6.936 -10.008 7.099 1.00 0.00 O ATOM 0 H TYR A 27 6.185 -5.207 0.181 1.00 0.00 H new ATOM 0 HA TYR A 27 7.339 -6.237 2.573 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.759 -7.139 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.711 -8.364 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.444 -6.554 4.607 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.754 -10.072 2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.962 -7.598 6.769 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.273 -11.118 4.752 1.00 0.00 H new ATOM 0 HH TYR A 27 7.287 -10.911 6.949 1.00 0.00 H new ATOM 393 N ARG A 28 8.577 -8.008 1.081 1.00 0.00 N ATOM 394 CA ARG A 28 9.546 -8.611 0.181 1.00 0.00 C ATOM 395 C ARG A 28 10.271 -7.510 -0.576 1.00 0.00 C ATOM 396 O ARG A 28 10.633 -7.669 -1.742 1.00 0.00 O ATOM 397 CB ARG A 28 8.848 -9.559 -0.798 1.00 0.00 C ATOM 398 CG ARG A 28 9.806 -10.407 -1.620 1.00 0.00 C ATOM 399 CD ARG A 28 9.276 -10.642 -3.025 1.00 0.00 C ATOM 400 NE ARG A 28 9.680 -11.943 -3.555 1.00 0.00 N ATOM 401 CZ ARG A 28 9.064 -13.088 -3.264 1.00 0.00 C ATOM 402 NH1 ARG A 28 8.021 -13.098 -2.445 1.00 0.00 N ATOM 403 NH2 ARG A 28 9.493 -14.225 -3.795 1.00 0.00 N ATOM 0 H ARG A 28 8.625 -8.343 2.043 1.00 0.00 H new ATOM 0 HA ARG A 28 10.266 -9.191 0.759 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.182 -10.217 -0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.224 -8.974 -1.474 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.776 -9.913 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.963 -11.365 -1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.188 -10.576 -3.017 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.638 -9.854 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 28 10.481 -11.976 -4.185 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.687 -12.226 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.553 -13.977 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.294 -14.223 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.022 -15.102 -3.572 1.00 0.00 H new ATOM 417 N ALA A 29 10.446 -6.374 0.096 1.00 0.00 N ATOM 418 CA ALA A 29 11.089 -5.224 -0.512 1.00 0.00 C ATOM 419 C ALA A 29 10.264 -4.759 -1.699 1.00 0.00 C ATOM 420 O ALA A 29 10.804 -4.324 -2.715 1.00 0.00 O ATOM 421 CB ALA A 29 12.507 -5.567 -0.943 1.00 0.00 C ATOM 0 H ALA A 29 10.150 -6.231 1.061 1.00 0.00 H new ATOM 0 HA ALA A 29 11.150 -4.418 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.971 -4.691 -1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.087 -5.876 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.480 -6.380 -1.669 1.00 0.00 H new ATOM 427 N GLY A 30 8.940 -4.882 -1.572 1.00 0.00 N ATOM 428 CA GLY A 30 8.069 -4.496 -2.658 1.00 0.00 C ATOM 429 C GLY A 30 6.723 -3.933 -2.231 1.00 0.00 C ATOM 430 O GLY A 30 6.571 -3.395 -1.138 1.00 0.00 O ATOM 0 H GLY A 30 8.466 -5.239 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.581 -3.751 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.898 -5.365 -3.293 1.00 0.00 H new ATOM 434 N ASP A 31 5.761 -4.051 -3.145 1.00 0.00 N ATOM 435 CA ASP A 31 4.396 -3.561 -2.960 1.00 0.00 C ATOM 436 C ASP A 31 3.562 -4.487 -2.087 1.00 0.00 C ATOM 437 O ASP A 31 3.839 -4.648 -0.900 1.00 0.00 O ATOM 438 CB ASP A 31 3.764 -3.344 -4.334 1.00 0.00 C ATOM 439 CG ASP A 31 4.622 -2.463 -5.218 1.00 0.00 C ATOM 440 OD1 ASP A 31 4.456 -1.226 -5.164 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.460 -3.009 -5.967 1.00 0.00 O ATOM 0 H ASP A 31 5.911 -4.497 -4.050 1.00 0.00 H new ATOM 0 HA ASP A 31 4.429 -2.612 -2.425 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.612 -4.308 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.781 -2.889 -4.214 1.00 0.00 H new ATOM 446 N MET A 32 2.524 -5.067 -2.659 1.00 0.00 N ATOM 447 CA MET A 32 1.635 -5.935 -1.924 1.00 0.00 C ATOM 448 C MET A 32 2.024 -7.395 -2.089 1.00 0.00 C ATOM 449 O MET A 32 1.979 -7.952 -3.176 1.00 0.00 O ATOM 450 CB MET A 32 0.241 -5.681 -2.436 1.00 0.00 C ATOM 451 CG MET A 32 -0.342 -4.373 -1.932 1.00 0.00 C ATOM 452 SD MET A 32 -2.129 -4.452 -1.706 1.00 0.00 S ATOM 453 CE MET A 32 -2.695 -4.186 -3.385 1.00 0.00 C ATOM 0 H MET A 32 2.277 -4.948 -3.642 1.00 0.00 H new ATOM 0 HA MET A 32 1.695 -5.722 -0.857 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.255 -5.671 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.408 -6.503 -2.133 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.129 -4.111 -0.985 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.104 -3.577 -2.638 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.785 -4.207 -3.409 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.343 -3.217 -3.738 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.302 -4.972 -4.030 1.00 0.00 H new ATOM 463 N ILE A 33 2.451 -8.000 -1.008 1.00 0.00 N ATOM 464 CA ILE A 33 2.901 -9.371 -1.035 1.00 0.00 C ATOM 465 C ILE A 33 1.855 -10.323 -0.488 1.00 0.00 C ATOM 466 O ILE A 33 1.352 -10.145 0.616 1.00 0.00 O ATOM 467 CB ILE A 33 4.207 -9.481 -0.233 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.201 -10.413 -0.930 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.926 -9.917 1.195 1.00 0.00 C ATOM 470 CD1 ILE A 33 5.148 -11.844 -0.459 1.00 0.00 C ATOM 0 H ILE A 33 2.497 -7.559 -0.089 1.00 0.00 H new ATOM 0 HA ILE A 33 3.075 -9.659 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 33 4.668 -8.494 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.012 -10.389 -2.003 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.210 -10.030 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.864 -9.989 1.745 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.277 -9.186 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.434 -10.890 1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.884 -12.434 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.369 -11.884 0.608 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.152 -12.250 -0.639 1.00 0.00 H new ATOM 482 N CYS A 34 1.555 -11.354 -1.257 1.00 0.00 N ATOM 483 CA CYS A 34 0.601 -12.350 -0.827 1.00 0.00 C ATOM 484 C CYS A 34 1.326 -13.386 0.010 1.00 0.00 C ATOM 485 O CYS A 34 1.945 -14.282 -0.540 1.00 0.00 O ATOM 486 CB CYS A 34 -0.045 -13.020 -2.033 1.00 0.00 C ATOM 487 SG CYS A 34 -1.199 -14.339 -1.613 1.00 0.00 S ATOM 0 H CYS A 34 1.959 -11.520 -2.179 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.183 -11.874 -0.237 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.571 -12.264 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.739 -13.427 -2.672 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.271 -13.826 -1.086 1.00 0.00 H new ATOM 493 N PRO A 35 1.262 -13.289 1.349 1.00 0.00 N ATOM 494 CA PRO A 35 1.939 -14.223 2.254 1.00 0.00 C ATOM 495 C PRO A 35 1.822 -15.683 1.828 1.00 0.00 C ATOM 496 O PRO A 35 2.560 -16.535 2.318 1.00 0.00 O ATOM 497 CB PRO A 35 1.237 -14.001 3.605 1.00 0.00 C ATOM 498 CG PRO A 35 0.137 -13.023 3.345 1.00 0.00 C ATOM 499 CD PRO A 35 0.521 -12.276 2.101 1.00 0.00 C ATOM 0 HA PRO A 35 3.012 -14.033 2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.841 -14.938 3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.935 -13.614 4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.816 -13.536 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.017 -12.341 4.186 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.352 -11.920 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.135 -11.403 2.323 1.00 0.00 H new ATOM 507 N GLU A 36 0.891 -15.973 0.934 1.00 0.00 N ATOM 508 CA GLU A 36 0.679 -17.333 0.478 1.00 0.00 C ATOM 509 C GLU A 36 1.554 -17.649 -0.728 1.00 0.00 C ATOM 510 O GLU A 36 2.468 -18.461 -0.638 1.00 0.00 O ATOM 511 CB GLU A 36 -0.797 -17.544 0.148 1.00 0.00 C ATOM 512 CG GLU A 36 -1.638 -17.962 1.343 1.00 0.00 C ATOM 513 CD GLU A 36 -1.070 -19.162 2.067 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.206 -19.847 1.486 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.487 -19.417 3.217 1.00 0.00 O ATOM 0 H GLU A 36 0.271 -15.283 0.511 1.00 0.00 H new ATOM 0 HA GLU A 36 0.963 -18.017 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.203 -16.621 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.881 -18.305 -0.628 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.714 -17.126 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.650 -18.191 1.008 1.00 0.00 H new ATOM 522 N CYS A 37 1.329 -16.959 -1.836 1.00 0.00 N ATOM 523 CA CYS A 37 2.163 -17.158 -3.018 1.00 0.00 C ATOM 524 C CYS A 37 3.314 -16.178 -2.942 1.00 0.00 C ATOM 525 O CYS A 37 4.363 -16.360 -3.556 1.00 0.00 O ATOM 526 CB CYS A 37 1.376 -16.940 -4.317 1.00 0.00 C ATOM 527 SG CYS A 37 0.391 -15.426 -4.351 1.00 0.00 S ATOM 0 H CYS A 37 0.589 -16.266 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 37 2.523 -18.187 -3.033 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.076 -16.922 -5.152 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.715 -17.792 -4.474 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.124 -15.217 -3.176 1.00 0.00 H new ATOM 533 N GLY A 38 3.073 -15.139 -2.158 1.00 0.00 N ATOM 534 CA GLY A 38 4.028 -14.095 -1.938 1.00 0.00 C ATOM 535 C GLY A 38 4.233 -13.236 -3.159 1.00 0.00 C ATOM 536 O GLY A 38 5.346 -12.806 -3.461 1.00 0.00 O ATOM 0 H GLY A 38 2.195 -15.007 -1.656 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.694 -13.470 -1.110 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.981 -14.534 -1.642 1.00 0.00 H new ATOM 540 N LEU A 39 3.140 -12.993 -3.852 1.00 0.00 N ATOM 541 CA LEU A 39 3.143 -12.182 -5.055 1.00 0.00 C ATOM 542 C LEU A 39 3.201 -10.705 -4.688 1.00 0.00 C ATOM 543 O LEU A 39 2.659 -10.305 -3.660 1.00 0.00 O ATOM 544 CB LEU A 39 1.885 -12.477 -5.870 1.00 0.00 C ATOM 545 CG LEU A 39 0.668 -11.627 -5.502 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.502 -10.510 -6.502 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.592 -12.466 -5.425 1.00 0.00 C ATOM 0 H LEU A 39 2.220 -13.353 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 39 4.021 -12.425 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.110 -12.327 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.627 -13.529 -5.746 1.00 0.00 H new ATOM 0 HG LEU A 39 0.837 -11.200 -4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.367 -9.908 -6.234 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.393 -9.883 -6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.359 -10.931 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.437 -11.830 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.777 -12.934 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.469 -13.239 -4.666 1.00 0.00 H new ATOM 559 N VAL A 40 3.876 -9.914 -5.515 1.00 0.00 N ATOM 560 CA VAL A 40 4.029 -8.493 -5.263 1.00 0.00 C ATOM 561 C VAL A 40 3.246 -7.656 -6.265 1.00 0.00 C ATOM 562 O VAL A 40 3.526 -7.686 -7.464 1.00 0.00 O ATOM 563 CB VAL A 40 5.513 -8.086 -5.321 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.694 -6.644 -4.884 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.356 -9.018 -4.465 1.00 0.00 C ATOM 0 H VAL A 40 4.327 -10.239 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 40 3.634 -8.304 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 40 5.850 -8.171 -6.354 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.750 -6.379 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.124 -5.990 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.338 -6.526 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.402 -8.715 -4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.016 -8.969 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.255 -10.040 -4.832 1.00 0.00 H new ATOM 575 N VAL A 41 2.280 -6.893 -5.767 1.00 0.00 N ATOM 576 CA VAL A 41 1.477 -6.030 -6.622 1.00 0.00 C ATOM 577 C VAL A 41 1.517 -4.588 -6.129 1.00 0.00 C ATOM 578 O VAL A 41 1.403 -4.328 -4.932 1.00 0.00 O ATOM 579 CB VAL A 41 -0.005 -6.459 -6.683 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.844 -5.413 -7.408 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.159 -7.807 -7.352 1.00 0.00 C ATOM 0 H VAL A 41 2.035 -6.855 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 41 1.914 -6.116 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.364 -6.544 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.884 -5.738 -7.438 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.776 -4.462 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.473 -5.290 -8.425 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.214 -8.081 -7.380 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.229 -7.755 -8.369 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.396 -8.558 -6.790 1.00 0.00 H new ATOM 591 N GLY A 42 1.636 -3.656 -7.062 1.00 0.00 N ATOM 592 CA GLY A 42 1.648 -2.254 -6.707 1.00 0.00 C ATOM 593 C GLY A 42 2.797 -1.504 -7.332 1.00 0.00 C ATOM 594 O GLY A 42 3.791 -2.099 -7.746 1.00 0.00 O ATOM 0 H GLY A 42 1.725 -3.847 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.709 -1.797 -7.019 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.705 -2.159 -5.623 1.00 0.00 H new ATOM 598 N ASP A 43 2.657 -0.190 -7.390 1.00 0.00 N ATOM 599 CA ASP A 43 3.683 0.668 -7.957 1.00 0.00 C ATOM 600 C ASP A 43 3.220 2.117 -7.947 1.00 0.00 C ATOM 601 O ASP A 43 2.461 2.541 -8.818 1.00 0.00 O ATOM 602 CB ASP A 43 4.016 0.237 -9.389 1.00 0.00 C ATOM 603 CG ASP A 43 5.498 0.333 -9.695 1.00 0.00 C ATOM 604 OD1 ASP A 43 6.298 0.416 -8.739 1.00 0.00 O ATOM 605 OD2 ASP A 43 5.858 0.324 -10.890 1.00 0.00 O ATOM 0 H ASP A 43 1.835 0.309 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 43 4.582 0.577 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.682 -0.789 -9.543 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.462 0.861 -10.091 1.00 0.00 H new ATOM 610 N ARG A 44 3.677 2.876 -6.957 1.00 0.00 N ATOM 611 CA ARG A 44 3.306 4.281 -6.839 1.00 0.00 C ATOM 612 C ARG A 44 4.540 5.156 -6.644 1.00 0.00 C ATOM 613 O ARG A 44 5.301 4.969 -5.695 1.00 0.00 O ATOM 614 CB ARG A 44 2.332 4.478 -5.675 1.00 0.00 C ATOM 615 CG ARG A 44 0.910 4.786 -6.117 1.00 0.00 C ATOM 616 CD ARG A 44 -0.054 3.675 -5.728 1.00 0.00 C ATOM 617 NE ARG A 44 -0.932 3.298 -6.834 1.00 0.00 N ATOM 618 CZ ARG A 44 -1.607 2.154 -6.889 1.00 0.00 C ATOM 619 NH1 ARG A 44 -1.512 1.272 -5.902 1.00 0.00 N ATOM 620 NH2 ARG A 44 -2.378 1.888 -7.934 1.00 0.00 N ATOM 0 H ARG A 44 4.304 2.542 -6.225 1.00 0.00 H new ATOM 0 HA ARG A 44 2.816 4.581 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.326 3.577 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.692 5.291 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.584 5.724 -5.667 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.887 4.926 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.512 2.803 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.658 3.999 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.033 3.952 -7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.919 1.470 -5.096 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.032 0.396 -5.949 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.454 2.561 -8.697 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.896 1.010 -7.976 1.00 0.00 H new ATOM 634 N VAL A 45 4.732 6.108 -7.550 1.00 0.00 N ATOM 635 CA VAL A 45 5.874 7.011 -7.478 1.00 0.00 C ATOM 636 C VAL A 45 5.513 8.397 -8.001 1.00 0.00 C ATOM 637 O VAL A 45 5.193 8.565 -9.178 1.00 0.00 O ATOM 638 CB VAL A 45 7.071 6.469 -8.281 1.00 0.00 C ATOM 639 CG1 VAL A 45 7.636 5.221 -7.621 1.00 0.00 C ATOM 640 CG2 VAL A 45 6.662 6.182 -9.718 1.00 0.00 C ATOM 0 H VAL A 45 4.112 6.274 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 45 6.153 7.083 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 45 7.852 7.230 -8.294 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.481 4.853 -8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.968 5.462 -6.611 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.864 4.453 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.520 5.800 -10.271 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.864 5.440 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.309 7.101 -10.186 1.00 0.00 H new ATOM 650 N ILE A 46 5.564 9.388 -7.117 1.00 0.00 N ATOM 651 CA ILE A 46 5.243 10.761 -7.489 1.00 0.00 C ATOM 652 C ILE A 46 6.298 11.733 -6.968 1.00 0.00 C ATOM 653 O ILE A 46 6.753 12.617 -7.693 1.00 0.00 O ATOM 654 CB ILE A 46 3.857 11.177 -6.955 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.495 12.583 -7.437 1.00 0.00 C ATOM 656 CG2 ILE A 46 3.828 11.110 -5.434 1.00 0.00 C ATOM 657 CD1 ILE A 46 2.005 12.806 -7.588 1.00 0.00 C ATOM 0 H ILE A 46 5.824 9.266 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 46 5.228 10.801 -8.578 1.00 0.00 H new ATOM 0 HB ILE A 46 3.116 10.479 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.894 13.313 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.980 12.766 -8.396 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.842 11.407 -5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.040 10.091 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.581 11.784 -5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.823 13.824 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.603 12.099 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.515 12.656 -6.626 1.00 0.00 H new ATOM 669 N ASP A 47 6.683 11.563 -5.707 1.00 0.00 N ATOM 670 CA ASP A 47 7.686 12.425 -5.091 1.00 0.00 C ATOM 671 C ASP A 47 7.991 11.970 -3.667 1.00 0.00 C ATOM 672 O ASP A 47 7.521 12.567 -2.700 1.00 0.00 O ATOM 673 CB ASP A 47 7.205 13.877 -5.083 1.00 0.00 C ATOM 674 CG ASP A 47 8.251 14.830 -4.536 1.00 0.00 C ATOM 675 OD1 ASP A 47 9.348 14.909 -5.127 1.00 0.00 O ATOM 676 OD2 ASP A 47 7.970 15.498 -3.518 1.00 0.00 O ATOM 0 H ASP A 47 6.316 10.837 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 47 8.601 12.356 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.941 14.175 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.299 13.953 -4.483 1.00 0.00 H new ATOM 681 N VAL A 48 8.784 10.909 -3.547 1.00 0.00 N ATOM 682 CA VAL A 48 9.152 10.375 -2.242 1.00 0.00 C ATOM 683 C VAL A 48 10.606 10.700 -1.905 1.00 0.00 C ATOM 684 O VAL A 48 11.417 10.955 -2.795 1.00 0.00 O ATOM 685 CB VAL A 48 8.946 8.848 -2.181 1.00 0.00 C ATOM 686 CG1 VAL A 48 9.831 8.145 -3.199 1.00 0.00 C ATOM 687 CG2 VAL A 48 9.216 8.327 -0.778 1.00 0.00 C ATOM 0 H VAL A 48 9.183 10.403 -4.338 1.00 0.00 H new ATOM 0 HA VAL A 48 8.499 10.849 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 48 7.907 8.632 -2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.670 7.069 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.581 8.494 -4.201 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.877 8.368 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.065 7.248 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.244 8.556 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.533 8.804 -0.075 1.00 0.00 H new ATOM 697 N GLY A 49 10.925 10.685 -0.616 1.00 0.00 N ATOM 698 CA GLY A 49 12.279 10.979 -0.185 1.00 0.00 C ATOM 699 C GLY A 49 12.319 11.655 1.172 1.00 0.00 C ATOM 700 O GLY A 49 12.900 11.127 2.120 1.00 0.00 O ATOM 0 H GLY A 49 10.271 10.475 0.138 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.854 10.054 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.761 11.621 -0.922 1.00 0.00 H new ATOM 704 N SER A 50 11.700 12.829 1.265 1.00 0.00 N ATOM 705 CA SER A 50 11.667 13.578 2.515 1.00 0.00 C ATOM 706 C SER A 50 10.719 12.925 3.514 1.00 0.00 C ATOM 707 O SER A 50 9.531 13.244 3.557 1.00 0.00 O ATOM 708 CB SER A 50 11.240 15.025 2.254 1.00 0.00 C ATOM 709 OG SER A 50 12.149 15.940 2.840 1.00 0.00 O ATOM 0 H SER A 50 11.215 13.281 0.490 1.00 0.00 H new ATOM 0 HA SER A 50 12.670 13.575 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.183 15.202 1.180 1.00 0.00 H new ATOM 0 HB3 SER A 50 10.241 15.191 2.658 1.00 0.00 H new ATOM 0 HG SER A 50 11.854 16.857 2.657 1.00 0.00 H new ATOM 715 N GLU A 51 11.250 12.007 4.316 1.00 0.00 N ATOM 716 CA GLU A 51 10.448 11.308 5.314 1.00 0.00 C ATOM 717 C GLU A 51 10.893 11.663 6.730 1.00 0.00 C ATOM 718 O GLU A 51 10.645 10.912 7.674 1.00 0.00 O ATOM 719 CB GLU A 51 10.540 9.796 5.104 1.00 0.00 C ATOM 720 CG GLU A 51 9.342 9.031 5.641 1.00 0.00 C ATOM 721 CD GLU A 51 9.690 7.614 6.053 1.00 0.00 C ATOM 722 OE1 GLU A 51 10.470 6.959 5.328 1.00 0.00 O ATOM 723 OE2 GLU A 51 9.184 7.157 7.100 1.00 0.00 O ATOM 0 H GLU A 51 12.231 11.730 4.294 1.00 0.00 H new ATOM 0 HA GLU A 51 9.413 11.626 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.642 9.592 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.443 9.425 5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.930 9.564 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.563 9.003 4.879 1.00 0.00 H new ATOM 730 N TRP A 52 11.548 12.813 6.876 1.00 0.00 N ATOM 731 CA TRP A 52 12.019 13.260 8.183 1.00 0.00 C ATOM 732 C TRP A 52 12.951 12.225 8.812 1.00 0.00 C ATOM 733 O TRP A 52 13.393 11.291 8.143 1.00 0.00 O ATOM 734 CB TRP A 52 10.825 13.530 9.107 1.00 0.00 C ATOM 735 CG TRP A 52 10.393 14.967 9.132 1.00 0.00 C ATOM 736 CD1 TRP A 52 11.081 16.048 8.656 1.00 0.00 C ATOM 737 CD2 TRP A 52 9.166 15.479 9.667 1.00 0.00 C ATOM 738 NE1 TRP A 52 10.358 17.197 8.863 1.00 0.00 N ATOM 739 CE2 TRP A 52 9.179 16.874 9.481 1.00 0.00 C ATOM 740 CE3 TRP A 52 8.056 14.893 10.284 1.00 0.00 C ATOM 741 CZ2 TRP A 52 8.127 17.690 9.889 1.00 0.00 C ATOM 742 CZ3 TRP A 52 7.014 15.703 10.690 1.00 0.00 C ATOM 743 CH2 TRP A 52 7.055 17.089 10.491 1.00 0.00 C ATOM 0 H TRP A 52 11.763 13.449 6.108 1.00 0.00 H new ATOM 0 HA TRP A 52 12.581 14.184 8.047 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.985 12.913 8.789 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.083 13.220 10.120 1.00 0.00 H new ATOM 0 HD1 TRP A 52 12.052 16.005 8.185 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.651 18.138 8.599 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.015 13.825 10.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 8.156 18.759 9.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 6.153 15.261 11.169 1.00 0.00 H new ATOM 0 HH2 TRP A 52 6.224 17.695 10.819 1.00 0.00 H new ATOM 754 N ARG A 53 13.246 12.402 10.101 1.00 0.00 N ATOM 755 CA ARG A 53 14.127 11.489 10.832 1.00 0.00 C ATOM 756 C ARG A 53 15.593 11.826 10.579 1.00 0.00 C ATOM 757 O ARG A 53 16.082 11.719 9.456 1.00 0.00 O ATOM 758 CB ARG A 53 13.852 10.031 10.449 1.00 0.00 C ATOM 759 CG ARG A 53 14.151 9.042 11.564 1.00 0.00 C ATOM 760 CD ARG A 53 15.647 8.831 11.741 1.00 0.00 C ATOM 761 NE ARG A 53 16.025 7.431 11.579 1.00 0.00 N ATOM 762 CZ ARG A 53 17.165 6.912 12.030 1.00 0.00 C ATOM 763 NH1 ARG A 53 18.044 7.678 12.668 1.00 0.00 N ATOM 764 NH2 ARG A 53 17.430 5.628 11.841 1.00 0.00 N ATOM 0 H ARG A 53 12.886 13.173 10.663 1.00 0.00 H new ATOM 0 HA ARG A 53 13.918 11.613 11.895 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.806 9.932 10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.452 9.774 9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.721 9.405 12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.672 8.088 11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 53 16.187 9.439 11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.947 9.175 12.731 1.00 0.00 H new ATOM 0 HE ARG A 53 15.377 6.813 11.091 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.846 8.668 12.814 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.916 7.276 13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.760 5.036 11.350 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.304 5.231 12.187 1.00 0.00 H new ATOM 778 N THR A 54 16.288 12.237 11.638 1.00 0.00 N ATOM 779 CA THR A 54 17.698 12.592 11.540 1.00 0.00 C ATOM 780 C THR A 54 18.477 12.036 12.730 1.00 0.00 C ATOM 781 O THR A 54 18.000 11.147 13.434 1.00 0.00 O ATOM 782 CB THR A 54 17.856 14.113 11.469 1.00 0.00 C ATOM 783 OG1 THR A 54 16.646 14.725 11.059 1.00 0.00 O ATOM 784 CG2 THR A 54 18.940 14.557 10.509 1.00 0.00 C ATOM 0 H THR A 54 15.895 12.332 12.574 1.00 0.00 H new ATOM 0 HA THR A 54 18.102 12.152 10.628 1.00 0.00 H new ATOM 0 HB THR A 54 18.134 14.421 12.477 1.00 0.00 H new ATOM 0 HG1 THR A 54 16.767 15.697 11.022 1.00 0.00 H new ATOM 0 HG21 THR A 54 19.000 15.645 10.506 1.00 0.00 H new ATOM 0 HG22 THR A 54 19.897 14.142 10.824 1.00 0.00 H new ATOM 0 HG23 THR A 54 18.704 14.204 9.505 1.00 0.00 H new ATOM 792 N PHE A 55 19.678 12.566 12.952 1.00 0.00 N ATOM 793 CA PHE A 55 20.516 12.119 14.059 1.00 0.00 C ATOM 794 C PHE A 55 20.357 13.036 15.270 1.00 0.00 C ATOM 795 O PHE A 55 21.319 13.295 15.993 1.00 0.00 O ATOM 796 CB PHE A 55 21.984 12.071 13.630 1.00 0.00 C ATOM 797 CG PHE A 55 22.438 13.299 12.893 1.00 0.00 C ATOM 798 CD1 PHE A 55 22.751 14.460 13.583 1.00 0.00 C ATOM 799 CD2 PHE A 55 22.550 13.294 11.512 1.00 0.00 C ATOM 800 CE1 PHE A 55 23.169 15.592 12.909 1.00 0.00 C ATOM 801 CE2 PHE A 55 22.968 14.422 10.833 1.00 0.00 C ATOM 802 CZ PHE A 55 23.277 15.573 11.531 1.00 0.00 C ATOM 0 H PHE A 55 20.091 13.304 12.381 1.00 0.00 H new ATOM 0 HA PHE A 55 20.195 11.116 14.341 1.00 0.00 H new ATOM 0 HB2 PHE A 55 22.608 11.937 14.514 1.00 0.00 H new ATOM 0 HB3 PHE A 55 22.140 11.199 12.995 1.00 0.00 H new ATOM 0 HD1 PHE A 55 22.667 14.480 14.660 1.00 0.00 H new ATOM 0 HD2 PHE A 55 22.308 12.398 10.960 1.00 0.00 H new ATOM 0 HE1 PHE A 55 23.411 16.490 13.458 1.00 0.00 H new ATOM 0 HE2 PHE A 55 23.053 14.404 9.757 1.00 0.00 H new ATOM 0 HZ PHE A 55 23.602 16.456 11.001 1.00 0.00 H new ATOM 812 N SER A 56 19.138 13.522 15.484 1.00 0.00 N ATOM 813 CA SER A 56 18.853 14.408 16.607 1.00 0.00 C ATOM 814 C SER A 56 19.644 15.706 16.490 1.00 0.00 C ATOM 815 O SER A 56 20.764 15.720 15.978 1.00 0.00 O ATOM 816 CB SER A 56 19.182 13.713 17.929 1.00 0.00 C ATOM 817 OG SER A 56 18.812 12.346 17.892 1.00 0.00 O ATOM 0 H SER A 56 18.332 13.317 14.894 1.00 0.00 H new ATOM 0 HA SER A 56 17.790 14.649 16.587 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.249 13.799 18.133 1.00 0.00 H new ATOM 0 HB3 SER A 56 18.660 14.212 18.746 1.00 0.00 H new ATOM 0 HG SER A 56 19.034 11.924 18.748 1.00 0.00 H new ATOM 823 N ASN A 57 19.056 16.798 16.970 1.00 0.00 N ATOM 824 CA ASN A 57 19.707 18.102 16.919 1.00 0.00 C ATOM 825 C ASN A 57 20.786 18.214 17.993 1.00 0.00 C ATOM 826 O ASN A 57 20.781 17.466 18.971 1.00 0.00 O ATOM 827 CB ASN A 57 18.673 19.216 17.098 1.00 0.00 C ATOM 828 CG ASN A 57 18.838 20.325 16.075 1.00 0.00 C ATOM 829 OD1 ASN A 57 19.494 20.146 15.049 1.00 0.00 O ATOM 830 ND2 ASN A 57 18.241 21.479 16.352 1.00 0.00 N ATOM 0 H ASN A 57 18.130 16.805 17.398 1.00 0.00 H new ATOM 0 HA ASN A 57 20.181 18.208 15.943 1.00 0.00 H new ATOM 0 HB2 ASN A 57 17.671 18.795 17.016 1.00 0.00 H new ATOM 0 HB3 ASN A 57 18.762 19.634 18.101 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.317 22.261 15.702 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.707 21.583 17.215 1.00 0.00 H new ATOM 837 N ASP A 58 21.707 19.152 17.803 1.00 0.00 N ATOM 838 CA ASP A 58 22.792 19.360 18.754 1.00 0.00 C ATOM 839 C ASP A 58 22.648 20.707 19.458 1.00 0.00 C ATOM 840 O ASP A 58 22.949 20.834 20.645 1.00 0.00 O ATOM 841 CB ASP A 58 24.144 19.285 18.043 1.00 0.00 C ATOM 842 CG ASP A 58 25.306 19.212 19.015 1.00 0.00 C ATOM 843 OD1 ASP A 58 25.561 20.215 19.712 1.00 0.00 O ATOM 844 OD2 ASP A 58 25.961 18.150 19.078 1.00 0.00 O ATOM 0 H ASP A 58 21.724 19.780 16.999 1.00 0.00 H new ATOM 0 HA ASP A 58 22.740 18.571 19.504 1.00 0.00 H new ATOM 0 HB2 ASP A 58 24.162 18.410 17.394 1.00 0.00 H new ATOM 0 HB3 ASP A 58 24.264 20.159 17.403 1.00 0.00 H new ATOM 849 N LYS A 59 22.184 21.707 18.716 1.00 0.00 N ATOM 850 CA LYS A 59 21.998 23.045 19.269 1.00 0.00 C ATOM 851 C LYS A 59 20.526 23.310 19.567 1.00 0.00 C ATOM 852 O LYS A 59 19.668 22.674 18.920 1.00 0.00 O ATOM 853 CB LYS A 59 22.536 24.100 18.298 1.00 0.00 C ATOM 854 CG LYS A 59 23.862 24.705 18.732 1.00 0.00 C ATOM 855 CD LYS A 59 24.872 24.712 17.595 1.00 0.00 C ATOM 856 CE LYS A 59 25.661 23.415 17.543 1.00 0.00 C ATOM 857 NZ LYS A 59 25.944 22.992 16.143 1.00 0.00 N ATOM 0 H LYS A 59 21.930 21.617 17.732 1.00 0.00 H new ATOM 0 HA LYS A 59 22.555 23.107 20.204 1.00 0.00 H new ATOM 0 HB2 LYS A 59 22.657 23.648 17.314 1.00 0.00 H new ATOM 0 HB3 LYS A 59 21.799 24.896 18.195 1.00 0.00 H new ATOM 0 HG2 LYS A 59 23.700 25.724 19.082 1.00 0.00 H new ATOM 0 HG3 LYS A 59 24.263 24.139 19.573 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.354 24.862 16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.557 25.551 17.720 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.601 23.540 18.081 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.103 22.630 18.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.484 22.103 16.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 25.047 22.848 15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.498 23.729 15.663 1.00 0.00 H new TER 871 LYS A 59