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 145:sc= -1.67 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -3.82! C(o=-12!,f=-16!) USER MOD Set 1.3: A 34 CYS SG : rot -126:sc= -1.2 USER MOD Set 1.4: A 37 CYS SG : rot -82:sc= -5.57! 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= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -165:sc= -0.0121 (180deg=-0.294) 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= -0.153 K(o=-0.15,f=-2.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -30.326 3.908 -16.130 1.00 0.00 N ATOM 2 CA ALA A 2 -29.008 4.326 -15.587 1.00 0.00 C ATOM 3 C ALA A 2 -27.884 3.474 -16.166 1.00 0.00 C ATOM 4 O ALA A 2 -28.095 2.321 -16.543 1.00 0.00 O ATOM 5 CB ALA A 2 -29.010 4.237 -14.068 1.00 0.00 C ATOM 0 HA ALA A 2 -28.834 5.362 -15.879 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -28.038 4.546 -13.684 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -29.784 4.891 -13.666 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -29.210 3.210 -13.764 1.00 0.00 H new ATOM 10 N SER A 3 -26.688 4.048 -16.234 1.00 0.00 N ATOM 11 CA SER A 3 -25.529 3.342 -16.767 1.00 0.00 C ATOM 12 C SER A 3 -24.313 3.533 -15.865 1.00 0.00 C ATOM 13 O SER A 3 -23.186 3.659 -16.345 1.00 0.00 O ATOM 14 CB SER A 3 -25.212 3.831 -18.182 1.00 0.00 C ATOM 15 OG SER A 3 -26.393 3.951 -18.956 1.00 0.00 O ATOM 0 H SER A 3 -26.496 5.001 -15.926 1.00 0.00 H new ATOM 0 HA SER A 3 -25.768 2.279 -16.804 1.00 0.00 H new ATOM 0 HB2 SER A 3 -24.706 4.795 -18.132 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.526 3.136 -18.665 1.00 0.00 H new ATOM 0 HG SER A 3 -26.164 4.266 -19.855 1.00 0.00 H new ATOM 21 N THR A 4 -24.549 3.554 -14.558 1.00 0.00 N ATOM 22 CA THR A 4 -23.474 3.729 -13.589 1.00 0.00 C ATOM 23 C THR A 4 -22.798 2.398 -13.278 1.00 0.00 C ATOM 24 O THR A 4 -23.280 1.625 -12.450 1.00 0.00 O ATOM 25 CB THR A 4 -24.016 4.352 -12.301 1.00 0.00 C ATOM 26 OG1 THR A 4 -25.113 5.205 -12.579 1.00 0.00 O ATOM 27 CG2 THR A 4 -22.983 5.162 -11.547 1.00 0.00 C ATOM 0 H THR A 4 -25.476 3.452 -14.145 1.00 0.00 H new ATOM 0 HA THR A 4 -22.733 4.399 -14.025 1.00 0.00 H new ATOM 0 HB THR A 4 -24.319 3.510 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 4 -25.446 5.592 -11.743 1.00 0.00 H new ATOM 0 HG21 THR A 4 -23.433 5.576 -10.644 1.00 0.00 H new ATOM 0 HG22 THR A 4 -22.146 4.520 -11.274 1.00 0.00 H new ATOM 0 HG23 THR A 4 -22.626 5.975 -12.179 1.00 0.00 H new ATOM 35 N SER A 5 -21.680 2.136 -13.948 1.00 0.00 N ATOM 36 CA SER A 5 -20.938 0.897 -13.743 1.00 0.00 C ATOM 37 C SER A 5 -19.446 1.175 -13.599 1.00 0.00 C ATOM 38 O SER A 5 -18.862 0.955 -12.538 1.00 0.00 O ATOM 39 CB SER A 5 -21.181 -0.065 -14.906 1.00 0.00 C ATOM 40 OG SER A 5 -22.247 -0.954 -14.620 1.00 0.00 O ATOM 0 H SER A 5 -21.268 2.765 -14.637 1.00 0.00 H new ATOM 0 HA SER A 5 -21.293 0.437 -12.821 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.409 0.502 -15.809 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.273 -0.634 -15.107 1.00 0.00 H new ATOM 0 HG SER A 5 -22.383 -1.557 -15.380 1.00 0.00 H new ATOM 46 N ARG A 6 -18.833 1.658 -14.677 1.00 0.00 N ATOM 47 CA ARG A 6 -17.408 1.965 -14.676 1.00 0.00 C ATOM 48 C ARG A 6 -16.577 0.710 -14.413 1.00 0.00 C ATOM 49 O ARG A 6 -16.091 0.071 -15.345 1.00 0.00 O ATOM 50 CB ARG A 6 -17.095 3.036 -13.626 1.00 0.00 C ATOM 51 CG ARG A 6 -17.385 4.451 -14.095 1.00 0.00 C ATOM 52 CD ARG A 6 -16.308 4.957 -15.040 1.00 0.00 C ATOM 53 NE ARG A 6 -16.655 4.727 -16.440 1.00 0.00 N ATOM 54 CZ ARG A 6 -17.506 5.483 -17.126 1.00 0.00 C ATOM 55 NH1 ARG A 6 -18.098 6.520 -16.548 1.00 0.00 N ATOM 56 NH2 ARG A 6 -17.767 5.204 -18.396 1.00 0.00 N ATOM 0 H ARG A 6 -19.303 1.845 -15.563 1.00 0.00 H new ATOM 0 HA ARG A 6 -17.144 2.348 -15.662 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -17.678 2.833 -12.728 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -16.044 2.963 -13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.352 4.478 -14.597 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.454 5.114 -13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.153 6.023 -14.875 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -15.365 4.460 -14.814 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.218 3.940 -16.920 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.901 6.741 -15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.750 7.096 -17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -17.315 4.409 -18.847 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.420 5.785 -18.922 1.00 0.00 H new ATOM 70 N LEU A 7 -16.418 0.361 -13.137 1.00 0.00 N ATOM 71 CA LEU A 7 -15.647 -0.818 -12.754 1.00 0.00 C ATOM 72 C LEU A 7 -15.517 -0.909 -11.237 1.00 0.00 C ATOM 73 O LEU A 7 -15.864 0.027 -10.517 1.00 0.00 O ATOM 74 CB LEU A 7 -14.257 -0.781 -13.397 1.00 0.00 C ATOM 75 CG LEU A 7 -13.903 -2.006 -14.243 1.00 0.00 C ATOM 76 CD1 LEU A 7 -13.060 -1.601 -15.443 1.00 0.00 C ATOM 77 CD2 LEU A 7 -13.171 -3.041 -13.401 1.00 0.00 C ATOM 0 H LEU A 7 -16.813 0.879 -12.352 1.00 0.00 H new ATOM 0 HA LEU A 7 -16.178 -1.700 -13.111 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -14.187 0.108 -14.024 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.511 -0.675 -12.609 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.828 -2.451 -14.608 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.818 -2.485 -16.033 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.618 -0.896 -16.059 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.139 -1.131 -15.099 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.927 -3.906 -14.018 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.253 -2.606 -13.007 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.808 -3.354 -12.574 1.00 0.00 H new ATOM 89 N ASP A 8 -15.012 -2.039 -10.757 1.00 0.00 N ATOM 90 CA ASP A 8 -14.834 -2.251 -9.326 1.00 0.00 C ATOM 91 C ASP A 8 -14.142 -3.582 -9.052 1.00 0.00 C ATOM 92 O ASP A 8 -14.456 -4.267 -8.078 1.00 0.00 O ATOM 93 CB ASP A 8 -16.186 -2.208 -8.610 1.00 0.00 C ATOM 94 CG ASP A 8 -17.139 -3.276 -9.110 1.00 0.00 C ATOM 95 OD1 ASP A 8 -16.923 -3.789 -10.228 1.00 0.00 O ATOM 96 OD2 ASP A 8 -18.102 -3.600 -8.384 1.00 0.00 O ATOM 0 H ASP A 8 -14.718 -2.824 -11.339 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.202 -1.450 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.031 -2.336 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.638 -1.226 -8.752 1.00 0.00 H new ATOM 101 N ALA A 9 -13.197 -3.943 -9.916 1.00 0.00 N ATOM 102 CA ALA A 9 -12.462 -5.193 -9.763 1.00 0.00 C ATOM 103 C ALA A 9 -11.074 -5.100 -10.393 1.00 0.00 C ATOM 104 O ALA A 9 -10.470 -6.117 -10.734 1.00 0.00 O ATOM 105 CB ALA A 9 -13.247 -6.342 -10.377 1.00 0.00 C ATOM 0 H ALA A 9 -12.923 -3.388 -10.727 1.00 0.00 H new ATOM 0 HA ALA A 9 -12.333 -5.381 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.688 -7.270 -10.257 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.211 -6.432 -9.877 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.405 -6.149 -11.438 1.00 0.00 H new ATOM 111 N LEU A 10 -10.571 -3.878 -10.545 1.00 0.00 N ATOM 112 CA LEU A 10 -9.253 -3.662 -11.135 1.00 0.00 C ATOM 113 C LEU A 10 -8.149 -3.737 -10.080 1.00 0.00 C ATOM 114 O LEU A 10 -7.140 -4.412 -10.282 1.00 0.00 O ATOM 115 CB LEU A 10 -9.202 -2.311 -11.851 1.00 0.00 C ATOM 116 CG LEU A 10 -8.186 -2.222 -12.991 1.00 0.00 C ATOM 117 CD1 LEU A 10 -8.746 -2.856 -14.255 1.00 0.00 C ATOM 118 CD2 LEU A 10 -7.798 -0.774 -13.247 1.00 0.00 C ATOM 0 H LEU A 10 -11.055 -3.024 -10.268 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.082 -4.457 -11.861 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.192 -2.090 -12.249 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -8.973 -1.537 -11.119 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.291 -2.771 -12.698 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.010 -2.783 -15.055 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.974 -3.905 -14.066 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.656 -2.335 -14.551 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.075 -0.730 -14.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.685 -0.202 -13.518 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.356 -0.351 -12.345 1.00 0.00 H new ATOM 130 N PRO A 11 -8.315 -3.042 -8.939 1.00 0.00 N ATOM 131 CA PRO A 11 -7.318 -3.043 -7.869 1.00 0.00 C ATOM 132 C PRO A 11 -7.442 -4.259 -6.959 1.00 0.00 C ATOM 133 O PRO A 11 -6.447 -4.753 -6.428 1.00 0.00 O ATOM 134 CB PRO A 11 -7.644 -1.764 -7.103 1.00 0.00 C ATOM 135 CG PRO A 11 -9.116 -1.597 -7.261 1.00 0.00 C ATOM 136 CD PRO A 11 -9.481 -2.200 -8.596 1.00 0.00 C ATOM 0 HA PRO A 11 -6.299 -3.086 -8.253 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.365 -1.849 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -7.102 -0.910 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.651 -2.095 -6.452 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -9.392 -0.543 -7.224 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.395 -2.791 -8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.652 -1.430 -9.348 1.00 0.00 H new ATOM 144 N ARG A 12 -8.669 -4.735 -6.780 1.00 0.00 N ATOM 145 CA ARG A 12 -8.923 -5.893 -5.930 1.00 0.00 C ATOM 146 C ARG A 12 -8.452 -5.630 -4.504 1.00 0.00 C ATOM 147 O ARG A 12 -7.821 -4.610 -4.227 1.00 0.00 O ATOM 148 CB ARG A 12 -8.219 -7.128 -6.494 1.00 0.00 C ATOM 149 CG ARG A 12 -9.027 -7.856 -7.556 1.00 0.00 C ATOM 150 CD ARG A 12 -8.143 -8.738 -8.425 1.00 0.00 C ATOM 151 NE ARG A 12 -8.113 -8.283 -9.813 1.00 0.00 N ATOM 152 CZ ARG A 12 -9.078 -8.530 -10.696 1.00 0.00 C ATOM 153 NH1 ARG A 12 -10.151 -9.225 -10.339 1.00 0.00 N ATOM 154 NH2 ARG A 12 -8.970 -8.081 -11.939 1.00 0.00 N ATOM 0 H ARG A 12 -9.503 -4.337 -7.212 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.998 -6.074 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.262 -6.828 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.003 -7.817 -5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.792 -8.467 -7.077 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.545 -7.129 -8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.130 -8.744 -8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.507 -9.765 -8.388 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.305 -7.744 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.239 -9.573 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.888 -9.411 -11.020 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.148 -7.546 -12.218 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.709 -8.270 -12.616 1.00 0.00 H new ATOM 168 N VAL A 13 -8.764 -6.553 -3.601 1.00 0.00 N ATOM 169 CA VAL A 13 -8.373 -6.414 -2.203 1.00 0.00 C ATOM 170 C VAL A 13 -7.716 -7.687 -1.668 1.00 0.00 C ATOM 171 O VAL A 13 -7.426 -7.788 -0.477 1.00 0.00 O ATOM 172 CB VAL A 13 -9.583 -6.067 -1.313 1.00 0.00 C ATOM 173 CG1 VAL A 13 -9.122 -5.606 0.062 1.00 0.00 C ATOM 174 CG2 VAL A 13 -10.449 -5.005 -1.975 1.00 0.00 C ATOM 0 H VAL A 13 -9.286 -7.404 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.650 -5.599 -2.166 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.185 -6.967 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.990 -5.366 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.549 -6.401 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.495 -4.720 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.298 -4.774 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.859 -4.103 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.811 -5.377 -2.933 1.00 0.00 H new ATOM 184 N THR A 14 -7.484 -8.657 -2.550 1.00 0.00 N ATOM 185 CA THR A 14 -6.861 -9.914 -2.149 1.00 0.00 C ATOM 186 C THR A 14 -6.355 -10.686 -3.364 1.00 0.00 C ATOM 187 O THR A 14 -6.645 -10.334 -4.505 1.00 0.00 O ATOM 188 CB THR A 14 -7.858 -10.772 -1.366 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.191 -10.394 -1.665 1.00 0.00 O ATOM 190 CG2 THR A 14 -7.681 -10.679 0.134 1.00 0.00 C ATOM 0 H THR A 14 -7.717 -8.597 -3.541 1.00 0.00 H new ATOM 0 HA THR A 14 -6.009 -9.680 -1.511 1.00 0.00 H new ATOM 0 HB THR A 14 -7.659 -11.798 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.812 -10.955 -1.156 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.419 -11.311 0.627 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.679 -11.013 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.817 -9.646 0.453 1.00 0.00 H new ATOM 198 N CYS A 15 -5.590 -11.741 -3.105 1.00 0.00 N ATOM 199 CA CYS A 15 -5.034 -12.567 -4.172 1.00 0.00 C ATOM 200 C CYS A 15 -6.129 -13.373 -4.870 1.00 0.00 C ATOM 201 O CYS A 15 -6.973 -13.982 -4.211 1.00 0.00 O ATOM 202 CB CYS A 15 -3.980 -13.516 -3.604 1.00 0.00 C ATOM 203 SG CYS A 15 -3.127 -14.508 -4.851 1.00 0.00 S ATOM 0 H CYS A 15 -5.340 -12.045 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.572 -11.906 -4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.242 -12.933 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.458 -14.185 -2.888 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.887 -14.677 -4.498 1.00 0.00 H new ATOM 209 N PRO A 16 -6.126 -13.402 -6.214 1.00 0.00 N ATOM 210 CA PRO A 16 -7.119 -14.156 -6.984 1.00 0.00 C ATOM 211 C PRO A 16 -6.983 -15.653 -6.743 1.00 0.00 C ATOM 212 O PRO A 16 -7.957 -16.402 -6.825 1.00 0.00 O ATOM 213 CB PRO A 16 -6.787 -13.809 -8.439 1.00 0.00 C ATOM 214 CG PRO A 16 -5.357 -13.396 -8.414 1.00 0.00 C ATOM 215 CD PRO A 16 -5.150 -12.723 -7.087 1.00 0.00 C ATOM 0 HA PRO A 16 -8.143 -13.904 -6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.940 -14.666 -9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.424 -13.006 -8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.699 -14.258 -8.522 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.131 -12.717 -9.236 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.129 -12.849 -6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.338 -11.651 -7.145 1.00 0.00 H new ATOM 223 N ASN A 17 -5.763 -16.074 -6.429 1.00 0.00 N ATOM 224 CA ASN A 17 -5.481 -17.472 -6.159 1.00 0.00 C ATOM 225 C ASN A 17 -5.636 -17.766 -4.671 1.00 0.00 C ATOM 226 O ASN A 17 -5.816 -18.915 -4.268 1.00 0.00 O ATOM 227 CB ASN A 17 -4.067 -17.834 -6.625 1.00 0.00 C ATOM 228 CG ASN A 17 -4.073 -18.709 -7.862 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.586 -19.830 -7.842 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.503 -18.203 -8.948 1.00 0.00 N ATOM 0 H ASN A 17 -4.952 -15.460 -6.356 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.196 -18.081 -6.713 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.511 -16.920 -6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.543 -18.350 -5.821 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.477 -18.746 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.090 -17.271 -8.920 1.00 0.00 H new ATOM 237 N HIS A 18 -5.569 -16.714 -3.856 1.00 0.00 N ATOM 238 CA HIS A 18 -5.705 -16.859 -2.414 1.00 0.00 C ATOM 239 C HIS A 18 -6.712 -15.868 -1.851 1.00 0.00 C ATOM 240 O HIS A 18 -6.340 -14.788 -1.386 1.00 0.00 O ATOM 241 CB HIS A 18 -4.363 -16.645 -1.725 1.00 0.00 C ATOM 242 CG HIS A 18 -3.309 -17.608 -2.144 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.146 -17.226 -2.771 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.233 -18.944 -1.984 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.391 -18.290 -2.980 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.030 -19.350 -2.513 1.00 0.00 N ATOM 0 H HIS A 18 -5.422 -15.756 -4.172 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.060 -17.872 -2.223 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.018 -15.632 -1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.503 -16.721 -0.647 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.978 -19.578 -1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.419 -18.294 -3.451 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.687 -20.310 -2.541 1.00 0.00 H new ATOM 255 N PRO A 19 -8.006 -16.221 -1.859 1.00 0.00 N ATOM 256 CA PRO A 19 -9.046 -15.353 -1.320 1.00 0.00 C ATOM 257 C PRO A 19 -8.817 -15.082 0.161 1.00 0.00 C ATOM 258 O PRO A 19 -9.008 -13.964 0.638 1.00 0.00 O ATOM 259 CB PRO A 19 -10.341 -16.146 -1.536 1.00 0.00 C ATOM 260 CG PRO A 19 -9.904 -17.560 -1.723 1.00 0.00 C ATOM 261 CD PRO A 19 -8.549 -17.493 -2.366 1.00 0.00 C ATOM 0 HA PRO A 19 -9.066 -14.376 -1.803 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.010 -16.050 -0.680 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.885 -15.783 -2.408 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.857 -18.083 -0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.608 -18.106 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.925 -18.340 -2.082 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.617 -17.498 -3.454 1.00 0.00 H new ATOM 269 N ASP A 20 -8.409 -16.124 0.886 1.00 0.00 N ATOM 270 CA ASP A 20 -8.156 -16.012 2.316 1.00 0.00 C ATOM 271 C ASP A 20 -6.809 -15.346 2.609 1.00 0.00 C ATOM 272 O ASP A 20 -6.563 -14.918 3.738 1.00 0.00 O ATOM 273 CB ASP A 20 -8.205 -17.394 2.970 1.00 0.00 C ATOM 274 CG ASP A 20 -9.576 -18.031 2.874 1.00 0.00 C ATOM 275 OD1 ASP A 20 -10.059 -18.233 1.739 1.00 0.00 O ATOM 276 OD2 ASP A 20 -10.170 -18.327 3.932 1.00 0.00 O ATOM 0 H ASP A 20 -8.247 -17.055 0.502 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.938 -15.380 2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.471 -18.044 2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.921 -17.307 4.019 1.00 0.00 H new ATOM 281 N ALA A 21 -5.946 -15.226 1.600 1.00 0.00 N ATOM 282 CA ALA A 21 -4.658 -14.573 1.811 1.00 0.00 C ATOM 283 C ALA A 21 -4.704 -13.127 1.366 1.00 0.00 C ATOM 284 O ALA A 21 -5.207 -12.797 0.291 1.00 0.00 O ATOM 285 CB ALA A 21 -3.525 -15.301 1.104 1.00 0.00 C ATOM 0 H ALA A 21 -6.110 -15.564 0.652 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.459 -14.608 2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.586 -14.779 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.455 -16.320 1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.721 -15.326 0.032 1.00 0.00 H new ATOM 291 N ILE A 22 -4.181 -12.280 2.215 1.00 0.00 N ATOM 292 CA ILE A 22 -4.156 -10.870 1.940 1.00 0.00 C ATOM 293 C ILE A 22 -2.741 -10.407 1.621 1.00 0.00 C ATOM 294 O ILE A 22 -1.823 -10.594 2.419 1.00 0.00 O ATOM 295 CB ILE A 22 -4.721 -10.061 3.118 1.00 0.00 C ATOM 296 CG1 ILE A 22 -5.433 -10.965 4.131 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.675 -9.012 2.595 1.00 0.00 C ATOM 298 CD1 ILE A 22 -4.506 -11.562 5.167 1.00 0.00 C ATOM 0 H ILE A 22 -3.765 -12.546 3.107 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.789 -10.695 1.070 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.890 -9.579 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.208 -10.389 4.638 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.934 -11.772 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.077 -8.437 3.429 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.145 -8.344 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.492 -9.497 2.062 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.079 -12.190 5.850 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.746 -12.166 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.024 -10.762 5.728 1.00 0.00 H new ATOM 310 N LEU A 23 -2.572 -9.786 0.448 1.00 0.00 N ATOM 311 CA LEU A 23 -1.274 -9.290 0.043 1.00 0.00 C ATOM 312 C LEU A 23 -0.881 -8.140 0.940 1.00 0.00 C ATOM 313 O LEU A 23 -1.254 -6.997 0.709 1.00 0.00 O ATOM 314 CB LEU A 23 -1.303 -8.821 -1.412 1.00 0.00 C ATOM 315 CG LEU A 23 -1.031 -9.898 -2.462 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.303 -10.660 -2.781 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.447 -9.272 -3.719 1.00 0.00 C ATOM 0 H LEU A 23 -3.319 -9.621 -0.226 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.545 -10.096 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.280 -8.382 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.566 -8.027 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.304 -10.603 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.092 -11.423 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.679 -11.135 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.053 -9.970 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.258 -10.050 -4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.152 -8.548 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.489 -8.769 -3.474 1.00 0.00 H new ATOM 329 N VAL A 24 -0.147 -8.452 1.976 1.00 0.00 N ATOM 330 CA VAL A 24 0.278 -7.448 2.931 1.00 0.00 C ATOM 331 C VAL A 24 0.899 -6.252 2.231 1.00 0.00 C ATOM 332 O VAL A 24 1.245 -6.321 1.056 1.00 0.00 O ATOM 333 CB VAL A 24 1.239 -8.047 3.953 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.305 -7.179 5.200 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.785 -9.464 4.272 1.00 0.00 C ATOM 0 H VAL A 24 0.173 -9.398 2.185 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.605 -7.095 3.464 1.00 0.00 H new ATOM 0 HB VAL A 24 2.248 -8.084 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.996 -7.623 5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.653 -6.182 4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.314 -7.109 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.462 -9.907 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.225 -9.439 4.682 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.792 -10.062 3.361 1.00 0.00 H new ATOM 345 N GLU A 25 0.979 -5.141 2.942 1.00 0.00 N ATOM 346 CA GLU A 25 1.487 -3.915 2.377 1.00 0.00 C ATOM 347 C GLU A 25 2.982 -3.789 2.543 1.00 0.00 C ATOM 348 O GLU A 25 3.526 -3.796 3.646 1.00 0.00 O ATOM 349 CB GLU A 25 0.782 -2.710 2.996 1.00 0.00 C ATOM 350 CG GLU A 25 -0.529 -2.359 2.313 1.00 0.00 C ATOM 351 CD GLU A 25 -1.571 -1.839 3.284 1.00 0.00 C ATOM 352 OE1 GLU A 25 -1.622 -2.340 4.426 1.00 0.00 O ATOM 353 OE2 GLU A 25 -2.338 -0.930 2.899 1.00 0.00 O ATOM 0 H GLU A 25 0.695 -5.069 3.919 1.00 0.00 H new ATOM 0 HA GLU A 25 1.279 -3.942 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.591 -2.913 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.447 -1.848 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.345 -1.607 1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.918 -3.242 1.806 1.00 0.00 H new ATOM 360 N ASP A 26 3.616 -3.659 1.406 1.00 0.00 N ATOM 361 CA ASP A 26 5.044 -3.504 1.305 1.00 0.00 C ATOM 362 C ASP A 26 5.818 -4.640 1.963 1.00 0.00 C ATOM 363 O ASP A 26 5.925 -4.710 3.188 1.00 0.00 O ATOM 364 CB ASP A 26 5.481 -2.160 1.883 1.00 0.00 C ATOM 365 CG ASP A 26 6.643 -1.553 1.122 1.00 0.00 C ATOM 366 OD1 ASP A 26 6.406 -0.963 0.046 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.791 -1.668 1.600 1.00 0.00 O ATOM 0 H ASP A 26 3.142 -3.658 0.503 1.00 0.00 H new ATOM 0 HA ASP A 26 5.283 -3.537 0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.638 -1.469 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.764 -2.292 2.927 1.00 0.00 H new ATOM 372 N TYR A 27 6.379 -5.515 1.131 1.00 0.00 N ATOM 373 CA TYR A 27 7.172 -6.638 1.609 1.00 0.00 C ATOM 374 C TYR A 27 8.385 -6.846 0.710 1.00 0.00 C ATOM 375 O TYR A 27 8.343 -6.549 -0.481 1.00 0.00 O ATOM 376 CB TYR A 27 6.338 -7.911 1.660 1.00 0.00 C ATOM 377 CG TYR A 27 6.730 -8.840 2.790 1.00 0.00 C ATOM 378 CD1 TYR A 27 6.458 -8.508 4.111 1.00 0.00 C ATOM 379 CD2 TYR A 27 7.373 -10.045 2.535 1.00 0.00 C ATOM 380 CE1 TYR A 27 6.814 -9.350 5.147 1.00 0.00 C ATOM 381 CE2 TYR A 27 7.733 -10.893 3.564 1.00 0.00 C ATOM 382 CZ TYR A 27 7.452 -10.542 4.868 1.00 0.00 C ATOM 383 OH TYR A 27 7.809 -11.384 5.896 1.00 0.00 O ATOM 0 H TYR A 27 6.296 -5.464 0.116 1.00 0.00 H new ATOM 0 HA TYR A 27 7.511 -6.409 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.287 -7.644 1.767 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.438 -8.441 0.713 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.960 -7.576 4.332 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.595 -10.323 1.515 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.595 -9.077 6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 27 8.232 -11.826 3.349 1.00 0.00 H new ATOM 0 HH TYR A 27 8.248 -12.180 5.529 1.00 0.00 H new ATOM 393 N ARG A 28 9.476 -7.336 1.307 1.00 0.00 N ATOM 394 CA ARG A 28 10.729 -7.564 0.583 1.00 0.00 C ATOM 395 C ARG A 28 11.007 -6.409 -0.372 1.00 0.00 C ATOM 396 O ARG A 28 11.325 -6.613 -1.544 1.00 0.00 O ATOM 397 CB ARG A 28 10.724 -8.903 -0.180 1.00 0.00 C ATOM 398 CG ARG A 28 9.344 -9.509 -0.434 1.00 0.00 C ATOM 399 CD ARG A 28 8.800 -9.156 -1.816 1.00 0.00 C ATOM 400 NE ARG A 28 9.850 -9.092 -2.832 1.00 0.00 N ATOM 401 CZ ARG A 28 10.439 -10.163 -3.359 1.00 0.00 C ATOM 402 NH1 ARG A 28 10.083 -11.381 -2.971 1.00 0.00 N ATOM 403 NH2 ARG A 28 11.385 -10.014 -4.276 1.00 0.00 N ATOM 0 H ARG A 28 9.515 -7.583 2.296 1.00 0.00 H new ATOM 0 HA ARG A 28 11.527 -7.617 1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.220 -8.756 -1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.321 -9.623 0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.402 -10.593 -0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.649 -9.156 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.058 -9.898 -2.111 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.288 -8.195 -1.767 1.00 0.00 H new ATOM 0 HE ARG A 28 10.149 -8.172 -3.156 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.355 -11.499 -2.266 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.537 -12.199 -3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.661 -9.079 -4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.837 -10.834 -4.680 1.00 0.00 H new ATOM 417 N ALA A 29 10.865 -5.187 0.140 1.00 0.00 N ATOM 418 CA ALA A 29 11.079 -3.992 -0.665 1.00 0.00 C ATOM 419 C ALA A 29 10.141 -4.000 -1.862 1.00 0.00 C ATOM 420 O ALA A 29 10.534 -3.657 -2.979 1.00 0.00 O ATOM 421 CB ALA A 29 12.529 -3.909 -1.119 1.00 0.00 C ATOM 0 H ALA A 29 10.603 -5.002 1.108 1.00 0.00 H new ATOM 0 HA ALA A 29 10.863 -3.113 -0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.671 -3.010 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.182 -3.870 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.774 -4.787 -1.717 1.00 0.00 H new ATOM 427 N GLY A 30 8.901 -4.416 -1.624 1.00 0.00 N ATOM 428 CA GLY A 30 7.928 -4.488 -2.693 1.00 0.00 C ATOM 429 C GLY A 30 6.603 -3.826 -2.359 1.00 0.00 C ATOM 430 O GLY A 30 6.500 -3.059 -1.403 1.00 0.00 O ATOM 0 H GLY A 30 8.555 -4.704 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.345 -4.018 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.749 -5.535 -2.939 1.00 0.00 H new ATOM 434 N ASP A 31 5.592 -4.133 -3.167 1.00 0.00 N ATOM 435 CA ASP A 31 4.247 -3.587 -2.991 1.00 0.00 C ATOM 436 C ASP A 31 3.408 -4.470 -2.071 1.00 0.00 C ATOM 437 O ASP A 31 3.602 -4.451 -0.864 1.00 0.00 O ATOM 438 CB ASP A 31 3.577 -3.329 -4.353 1.00 0.00 C ATOM 439 CG ASP A 31 4.222 -4.091 -5.498 1.00 0.00 C ATOM 440 OD1 ASP A 31 3.828 -5.246 -5.742 1.00 0.00 O ATOM 441 OD2 ASP A 31 5.132 -3.530 -6.145 1.00 0.00 O ATOM 0 H ASP A 31 5.680 -4.766 -3.962 1.00 0.00 H new ATOM 0 HA ASP A 31 4.327 -2.620 -2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 31 2.525 -3.606 -4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.613 -2.262 -4.571 1.00 0.00 H new ATOM 446 N MET A 32 2.472 -5.220 -2.615 1.00 0.00 N ATOM 447 CA MET A 32 1.607 -6.058 -1.809 1.00 0.00 C ATOM 448 C MET A 32 1.973 -7.533 -1.948 1.00 0.00 C ATOM 449 O MET A 32 1.916 -8.102 -3.027 1.00 0.00 O ATOM 450 CB MET A 32 0.200 -5.802 -2.268 1.00 0.00 C ATOM 451 CG MET A 32 -0.344 -4.458 -1.812 1.00 0.00 C ATOM 452 SD MET A 32 -2.146 -4.385 -1.861 1.00 0.00 S ATOM 453 CE MET A 32 -2.464 -4.955 -3.530 1.00 0.00 C ATOM 0 H MET A 32 2.290 -5.267 -3.618 1.00 0.00 H new ATOM 0 HA MET A 32 1.718 -5.816 -0.752 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.165 -5.850 -3.356 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.447 -6.595 -1.893 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.004 -4.258 -0.796 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.065 -3.671 -2.446 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.492 -4.718 -3.806 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.780 -4.461 -4.220 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.314 -6.033 -3.581 1.00 0.00 H new ATOM 463 N ILE A 33 2.420 -8.112 -0.861 1.00 0.00 N ATOM 464 CA ILE A 33 2.888 -9.482 -0.839 1.00 0.00 C ATOM 465 C ILE A 33 1.835 -10.471 -0.320 1.00 0.00 C ATOM 466 O ILE A 33 1.380 -10.361 0.818 1.00 0.00 O ATOM 467 CB ILE A 33 4.125 -9.485 0.084 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.107 -10.592 -0.257 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.684 -9.580 1.531 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.530 -11.958 -0.058 1.00 0.00 C ATOM 0 H ILE A 33 2.471 -7.644 0.044 1.00 0.00 H new ATOM 0 HA ILE A 33 3.117 -9.812 -1.852 1.00 0.00 H new ATOM 0 HB ILE A 33 4.655 -8.546 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.424 -10.484 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.998 -10.485 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.560 -9.582 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.053 -8.725 1.776 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.121 -10.501 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.276 -12.709 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.238 -12.081 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.655 -12.080 -0.697 1.00 0.00 H new ATOM 482 N CYS A 34 1.476 -11.465 -1.135 1.00 0.00 N ATOM 483 CA CYS A 34 0.521 -12.473 -0.695 1.00 0.00 C ATOM 484 C CYS A 34 1.271 -13.550 0.083 1.00 0.00 C ATOM 485 O CYS A 34 1.873 -14.427 -0.517 1.00 0.00 O ATOM 486 CB CYS A 34 -0.197 -13.110 -1.881 1.00 0.00 C ATOM 487 SG CYS A 34 -1.551 -14.215 -1.418 1.00 0.00 S ATOM 0 H CYS A 34 1.827 -11.590 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.229 -11.995 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.590 -12.320 -2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.528 -13.669 -2.473 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.374 -15.375 -1.977 1.00 0.00 H new ATOM 493 N PRO A 35 1.231 -13.514 1.425 1.00 0.00 N ATOM 494 CA PRO A 35 1.925 -14.477 2.289 1.00 0.00 C ATOM 495 C PRO A 35 1.938 -15.904 1.746 1.00 0.00 C ATOM 496 O PRO A 35 2.804 -16.705 2.095 1.00 0.00 O ATOM 497 CB PRO A 35 1.138 -14.408 3.610 1.00 0.00 C ATOM 498 CG PRO A 35 0.060 -13.388 3.400 1.00 0.00 C ATOM 499 CD PRO A 35 0.485 -12.552 2.226 1.00 0.00 C ATOM 0 HA PRO A 35 2.981 -14.224 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.712 -15.379 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.789 -14.123 4.437 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.898 -13.871 3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.068 -12.771 4.289 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.369 -12.145 1.684 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.103 -11.707 2.529 1.00 0.00 H new ATOM 507 N GLU A 36 0.949 -16.221 0.939 1.00 0.00 N ATOM 508 CA GLU A 36 0.796 -17.557 0.386 1.00 0.00 C ATOM 509 C GLU A 36 1.671 -17.756 -0.844 1.00 0.00 C ATOM 510 O GLU A 36 2.642 -18.512 -0.812 1.00 0.00 O ATOM 511 CB GLU A 36 -0.673 -17.777 0.040 1.00 0.00 C ATOM 512 CG GLU A 36 -1.503 -18.287 1.208 1.00 0.00 C ATOM 513 CD GLU A 36 -1.251 -19.750 1.505 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.349 -20.572 0.571 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.956 -20.076 2.675 1.00 0.00 O ATOM 0 H GLU A 36 0.227 -15.563 0.645 1.00 0.00 H new ATOM 0 HA GLU A 36 1.117 -18.288 1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.099 -16.838 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.741 -18.489 -0.782 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.277 -17.696 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.561 -18.141 0.989 1.00 0.00 H new ATOM 522 N CYS A 37 1.346 -17.047 -1.912 1.00 0.00 N ATOM 523 CA CYS A 37 2.140 -17.131 -3.135 1.00 0.00 C ATOM 524 C CYS A 37 3.251 -16.117 -3.040 1.00 0.00 C ATOM 525 O CYS A 37 4.213 -16.148 -3.798 1.00 0.00 O ATOM 526 CB CYS A 37 1.306 -16.873 -4.396 1.00 0.00 C ATOM 527 SG CYS A 37 0.155 -15.488 -4.270 1.00 0.00 S ATOM 0 H CYS A 37 0.549 -16.413 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 37 2.535 -18.143 -3.223 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.982 -16.691 -5.231 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.743 -17.775 -4.633 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.926 -15.876 -3.662 1.00 0.00 H new ATOM 533 N GLY A 38 3.077 -15.212 -2.089 1.00 0.00 N ATOM 534 CA GLY A 38 4.019 -14.160 -1.846 1.00 0.00 C ATOM 535 C GLY A 38 4.174 -13.243 -3.036 1.00 0.00 C ATOM 536 O GLY A 38 5.207 -12.600 -3.225 1.00 0.00 O ATOM 0 H GLY A 38 2.269 -15.197 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.696 -13.579 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.987 -14.593 -1.595 1.00 0.00 H new ATOM 540 N LEU A 39 3.120 -13.203 -3.835 1.00 0.00 N ATOM 541 CA LEU A 39 3.077 -12.386 -5.029 1.00 0.00 C ATOM 542 C LEU A 39 3.129 -10.914 -4.657 1.00 0.00 C ATOM 543 O LEU A 39 2.690 -10.531 -3.574 1.00 0.00 O ATOM 544 CB LEU A 39 1.803 -12.687 -5.813 1.00 0.00 C ATOM 545 CG LEU A 39 0.607 -11.813 -5.445 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.460 -10.699 -6.452 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.666 -12.631 -5.361 1.00 0.00 C ATOM 0 H LEU A 39 2.269 -13.740 -3.670 1.00 0.00 H new ATOM 0 HA LEU A 39 3.941 -12.618 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.010 -12.567 -6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.534 -13.732 -5.656 1.00 0.00 H new ATOM 0 HG LEU A 39 0.785 -11.381 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.395 -10.078 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.364 -10.090 -6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.305 -11.123 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.500 -11.980 -5.097 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.862 -13.099 -6.326 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.553 -13.403 -4.600 1.00 0.00 H new ATOM 559 N VAL A 40 3.688 -10.100 -5.538 1.00 0.00 N ATOM 560 CA VAL A 40 3.816 -8.683 -5.269 1.00 0.00 C ATOM 561 C VAL A 40 3.048 -7.841 -6.276 1.00 0.00 C ATOM 562 O VAL A 40 3.332 -7.876 -7.475 1.00 0.00 O ATOM 563 CB VAL A 40 5.297 -8.249 -5.270 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.466 -6.929 -4.541 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.186 -9.321 -4.648 1.00 0.00 C ATOM 0 H VAL A 40 4.058 -10.398 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 40 3.389 -8.516 -4.280 1.00 0.00 H new ATOM 0 HB VAL A 40 5.607 -8.116 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.517 -6.639 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.872 -6.161 -5.037 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.130 -7.037 -3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.223 -8.987 -4.663 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.876 -9.498 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.094 -10.245 -5.218 1.00 0.00 H new ATOM 575 N VAL A 41 2.096 -7.056 -5.780 1.00 0.00 N ATOM 576 CA VAL A 41 1.314 -6.171 -6.634 1.00 0.00 C ATOM 577 C VAL A 41 1.293 -4.763 -6.052 1.00 0.00 C ATOM 578 O VAL A 41 1.038 -4.581 -4.866 1.00 0.00 O ATOM 579 CB VAL A 41 -0.149 -6.630 -6.802 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.931 -5.639 -7.652 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.223 -8.018 -7.408 1.00 0.00 C ATOM 0 H VAL A 41 1.848 -7.015 -4.791 1.00 0.00 H new ATOM 0 HA VAL A 41 1.798 -6.193 -7.610 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.600 -6.669 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.960 -5.983 -7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.923 -4.661 -7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.471 -5.563 -8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.267 -8.314 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.254 -8.013 -8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.291 -8.727 -6.758 1.00 0.00 H new ATOM 591 N GLY A 42 1.545 -3.775 -6.898 1.00 0.00 N ATOM 592 CA GLY A 42 1.539 -2.404 -6.450 1.00 0.00 C ATOM 593 C GLY A 42 2.811 -1.692 -6.836 1.00 0.00 C ATOM 594 O GLY A 42 3.622 -2.228 -7.590 1.00 0.00 O ATOM 0 H GLY A 42 1.754 -3.902 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.684 -1.883 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.418 -2.374 -5.367 1.00 0.00 H new ATOM 598 N ASP A 43 2.996 -0.488 -6.319 1.00 0.00 N ATOM 599 CA ASP A 43 4.191 0.290 -6.614 1.00 0.00 C ATOM 600 C ASP A 43 4.498 0.298 -8.113 1.00 0.00 C ATOM 601 O ASP A 43 3.627 0.014 -8.936 1.00 0.00 O ATOM 602 CB ASP A 43 5.383 -0.275 -5.835 1.00 0.00 C ATOM 603 CG ASP A 43 6.267 0.815 -5.262 1.00 0.00 C ATOM 604 OD1 ASP A 43 5.802 1.544 -4.360 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.425 0.940 -5.714 1.00 0.00 O ATOM 0 H ASP A 43 2.335 -0.027 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 43 4.010 1.320 -6.306 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.018 -0.906 -5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.975 -0.911 -6.493 1.00 0.00 H new ATOM 610 N ARG A 44 5.743 0.622 -8.459 1.00 0.00 N ATOM 611 CA ARG A 44 6.174 0.666 -9.854 1.00 0.00 C ATOM 612 C ARG A 44 5.616 1.893 -10.570 1.00 0.00 C ATOM 613 O ARG A 44 6.332 2.872 -10.781 1.00 0.00 O ATOM 614 CB ARG A 44 5.763 -0.614 -10.592 1.00 0.00 C ATOM 615 CG ARG A 44 5.990 -1.886 -9.788 1.00 0.00 C ATOM 616 CD ARG A 44 7.419 -1.983 -9.276 1.00 0.00 C ATOM 617 NE ARG A 44 8.352 -2.385 -10.326 1.00 0.00 N ATOM 618 CZ ARG A 44 8.482 -3.638 -10.760 1.00 0.00 C ATOM 619 NH1 ARG A 44 7.743 -4.609 -10.238 1.00 0.00 N ATOM 620 NH2 ARG A 44 9.355 -3.920 -11.717 1.00 0.00 N ATOM 0 H ARG A 44 6.474 0.859 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 44 7.262 0.737 -9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.708 -0.546 -10.857 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.323 -0.680 -11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.299 -1.911 -8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.767 -2.753 -10.409 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.724 -1.019 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.463 -2.702 -8.458 1.00 0.00 H new ATOM 0 HE ARG A 44 8.937 -1.666 -10.751 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.071 -4.398 -9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.847 -5.566 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.927 -3.178 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.455 -4.879 -12.050 1.00 0.00 H new ATOM 634 N VAL A 45 4.339 1.841 -10.942 1.00 0.00 N ATOM 635 CA VAL A 45 3.700 2.955 -11.636 1.00 0.00 C ATOM 636 C VAL A 45 2.194 2.741 -11.760 1.00 0.00 C ATOM 637 O VAL A 45 1.742 1.807 -12.424 1.00 0.00 O ATOM 638 CB VAL A 45 4.287 3.164 -13.049 1.00 0.00 C ATOM 639 CG1 VAL A 45 5.472 4.115 -13.004 1.00 0.00 C ATOM 640 CG2 VAL A 45 4.685 1.834 -13.673 1.00 0.00 C ATOM 0 H VAL A 45 3.728 1.041 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 45 3.895 3.843 -11.034 1.00 0.00 H new ATOM 0 HB VAL A 45 3.515 3.612 -13.674 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.870 4.248 -14.010 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.150 5.079 -12.611 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.247 3.701 -12.359 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.096 2.007 -14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.437 1.350 -13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.808 1.191 -13.749 1.00 0.00 H new ATOM 650 N ILE A 46 1.420 3.618 -11.127 1.00 0.00 N ATOM 651 CA ILE A 46 -0.034 3.531 -11.175 1.00 0.00 C ATOM 652 C ILE A 46 -0.668 4.881 -10.809 1.00 0.00 C ATOM 653 O ILE A 46 -0.808 5.747 -11.673 1.00 0.00 O ATOM 654 CB ILE A 46 -0.562 2.391 -10.264 1.00 0.00 C ATOM 655 CG1 ILE A 46 -2.074 2.516 -10.039 1.00 0.00 C ATOM 656 CG2 ILE A 46 0.185 2.364 -8.937 1.00 0.00 C ATOM 657 CD1 ILE A 46 -2.811 1.199 -10.137 1.00 0.00 C ATOM 0 H ILE A 46 1.777 4.397 -10.574 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.325 3.288 -12.197 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.378 1.446 -10.774 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.252 2.950 -9.055 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.486 3.209 -10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.204 1.556 -8.317 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.247 2.201 -9.121 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.047 3.315 -8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.875 1.364 -9.967 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.664 0.773 -11.129 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.426 0.510 -9.385 1.00 0.00 H new ATOM 669 N ASP A 47 -1.038 5.064 -9.534 1.00 0.00 N ATOM 670 CA ASP A 47 -1.646 6.314 -9.060 1.00 0.00 C ATOM 671 C ASP A 47 -2.434 7.027 -10.162 1.00 0.00 C ATOM 672 O ASP A 47 -2.222 8.213 -10.421 1.00 0.00 O ATOM 673 CB ASP A 47 -0.565 7.246 -8.508 1.00 0.00 C ATOM 674 CG ASP A 47 0.643 7.340 -9.421 1.00 0.00 C ATOM 675 OD1 ASP A 47 1.440 6.378 -9.451 1.00 0.00 O ATOM 676 OD2 ASP A 47 0.789 8.372 -10.106 1.00 0.00 O ATOM 0 H ASP A 47 -0.925 4.356 -8.808 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.349 6.054 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.986 8.241 -8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.249 6.890 -7.528 1.00 0.00 H new ATOM 681 N VAL A 48 -3.338 6.299 -10.807 1.00 0.00 N ATOM 682 CA VAL A 48 -4.149 6.869 -11.878 1.00 0.00 C ATOM 683 C VAL A 48 -5.553 7.210 -11.389 1.00 0.00 C ATOM 684 O VAL A 48 -6.043 6.628 -10.421 1.00 0.00 O ATOM 685 CB VAL A 48 -4.249 5.906 -13.080 1.00 0.00 C ATOM 686 CG1 VAL A 48 -4.953 4.616 -12.682 1.00 0.00 C ATOM 687 CG2 VAL A 48 -4.964 6.577 -14.243 1.00 0.00 C ATOM 0 H VAL A 48 -3.528 5.317 -10.609 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.652 7.785 -12.197 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.239 5.652 -13.401 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.012 3.953 -13.545 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.393 4.126 -11.886 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.959 4.844 -12.330 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.025 5.883 -15.081 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.970 6.864 -13.935 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.410 7.465 -14.547 1.00 0.00 H new ATOM 697 N GLY A 49 -6.196 8.156 -12.068 1.00 0.00 N ATOM 698 CA GLY A 49 -7.538 8.560 -11.690 1.00 0.00 C ATOM 699 C GLY A 49 -7.600 10.001 -11.223 1.00 0.00 C ATOM 700 O GLY A 49 -6.863 10.401 -10.323 1.00 0.00 O ATOM 0 H GLY A 49 -5.811 8.650 -12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.207 8.428 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.900 7.908 -10.895 1.00 0.00 H new ATOM 704 N SER A 50 -8.485 10.783 -11.835 1.00 0.00 N ATOM 705 CA SER A 50 -8.642 12.188 -11.475 1.00 0.00 C ATOM 706 C SER A 50 -10.078 12.484 -11.050 1.00 0.00 C ATOM 707 O SER A 50 -10.953 12.693 -11.889 1.00 0.00 O ATOM 708 CB SER A 50 -8.248 13.085 -12.652 1.00 0.00 C ATOM 709 OG SER A 50 -7.360 14.109 -12.237 1.00 0.00 O ATOM 0 H SER A 50 -9.104 10.467 -12.582 1.00 0.00 H new ATOM 0 HA SER A 50 -7.983 12.398 -10.632 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.777 12.484 -13.430 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.142 13.530 -13.090 1.00 0.00 H new ATOM 0 HG SER A 50 -7.122 14.667 -13.007 1.00 0.00 H new ATOM 715 N GLU A 51 -10.311 12.498 -9.741 1.00 0.00 N ATOM 716 CA GLU A 51 -11.639 12.768 -9.204 1.00 0.00 C ATOM 717 C GLU A 51 -11.548 13.307 -7.779 1.00 0.00 C ATOM 718 O GLU A 51 -12.301 12.895 -6.896 1.00 0.00 O ATOM 719 CB GLU A 51 -12.491 11.496 -9.233 1.00 0.00 C ATOM 720 CG GLU A 51 -13.359 11.373 -10.474 1.00 0.00 C ATOM 721 CD GLU A 51 -14.838 11.512 -10.168 1.00 0.00 C ATOM 722 OE1 GLU A 51 -15.267 11.045 -9.093 1.00 0.00 O ATOM 723 OE2 GLU A 51 -15.566 12.085 -11.005 1.00 0.00 O ATOM 0 H GLU A 51 -9.597 12.325 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.113 13.526 -9.828 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.835 10.628 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -13.130 11.476 -8.350 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.067 12.138 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.178 10.407 -10.945 1.00 0.00 H new ATOM 730 N TRP A 52 -10.619 14.234 -7.562 1.00 0.00 N ATOM 731 CA TRP A 52 -10.423 14.834 -6.247 1.00 0.00 C ATOM 732 C TRP A 52 -10.001 13.780 -5.225 1.00 0.00 C ATOM 733 O TRP A 52 -8.816 13.633 -4.929 1.00 0.00 O ATOM 734 CB TRP A 52 -11.704 15.537 -5.787 1.00 0.00 C ATOM 735 CG TRP A 52 -12.070 16.719 -6.633 1.00 0.00 C ATOM 736 CD1 TRP A 52 -11.223 17.671 -7.122 1.00 0.00 C ATOM 737 CD2 TRP A 52 -13.380 17.074 -7.089 1.00 0.00 C ATOM 738 NE1 TRP A 52 -11.925 18.597 -7.854 1.00 0.00 N ATOM 739 CE2 TRP A 52 -13.253 18.252 -7.849 1.00 0.00 C ATOM 740 CE3 TRP A 52 -14.648 16.509 -6.929 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -14.344 18.875 -8.447 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -15.733 17.129 -7.525 1.00 0.00 C ATOM 743 CH2 TRP A 52 -15.575 18.301 -8.274 1.00 0.00 C ATOM 0 H TRP A 52 -9.989 14.586 -8.283 1.00 0.00 H new ATOM 0 HA TRP A 52 -9.625 15.572 -6.325 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -12.527 14.822 -5.799 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -11.580 15.863 -4.754 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.156 17.693 -6.957 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -11.525 19.409 -8.324 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -14.779 15.606 -6.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -14.224 19.778 -9.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -16.718 16.701 -7.410 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -16.442 18.762 -8.725 1.00 0.00 H new ATOM 754 N ARG A 53 -10.976 13.050 -4.687 1.00 0.00 N ATOM 755 CA ARG A 53 -10.702 12.008 -3.699 1.00 0.00 C ATOM 756 C ARG A 53 -9.824 12.540 -2.568 1.00 0.00 C ATOM 757 O ARG A 53 -8.822 11.922 -2.202 1.00 0.00 O ATOM 758 CB ARG A 53 -10.029 10.808 -4.367 1.00 0.00 C ATOM 759 CG ARG A 53 -10.511 9.469 -3.837 1.00 0.00 C ATOM 760 CD ARG A 53 -9.751 9.057 -2.585 1.00 0.00 C ATOM 761 NE ARG A 53 -10.165 7.742 -2.101 1.00 0.00 N ATOM 762 CZ ARG A 53 -11.248 7.533 -1.354 1.00 0.00 C ATOM 763 NH1 ARG A 53 -12.032 8.546 -1.008 1.00 0.00 N ATOM 764 NH2 ARG A 53 -11.550 6.304 -0.956 1.00 0.00 N ATOM 0 H ARG A 53 -11.963 13.161 -4.919 1.00 0.00 H new ATOM 0 HA ARG A 53 -11.653 11.690 -3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.211 10.851 -5.441 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.951 10.880 -4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.576 9.527 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.387 8.707 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.682 9.045 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.912 9.799 -1.803 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.591 6.936 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.807 9.493 -1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.860 8.378 -0.436 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.953 5.521 -1.222 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.379 6.142 -0.384 1.00 0.00 H new ATOM 778 N THR A 54 -10.205 13.687 -2.017 1.00 0.00 N ATOM 779 CA THR A 54 -9.452 14.299 -0.928 1.00 0.00 C ATOM 780 C THR A 54 -10.262 14.286 0.365 1.00 0.00 C ATOM 781 O THR A 54 -11.319 13.662 0.441 1.00 0.00 O ATOM 782 CB THR A 54 -9.068 15.736 -1.290 1.00 0.00 C ATOM 783 OG1 THR A 54 -9.097 15.924 -2.694 1.00 0.00 O ATOM 784 CG2 THR A 54 -7.690 16.127 -0.802 1.00 0.00 C ATOM 0 H THR A 54 -11.030 14.212 -2.306 1.00 0.00 H new ATOM 0 HA THR A 54 -8.544 13.717 -0.773 1.00 0.00 H new ATOM 0 HB THR A 54 -9.805 16.367 -0.792 1.00 0.00 H new ATOM 0 HG1 THR A 54 -8.850 16.849 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.480 17.157 -1.091 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.650 16.040 0.284 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.946 15.466 -1.246 1.00 0.00 H new ATOM 792 N PHE A 55 -9.757 14.982 1.381 1.00 0.00 N ATOM 793 CA PHE A 55 -10.436 15.049 2.670 1.00 0.00 C ATOM 794 C PHE A 55 -11.446 16.193 2.692 1.00 0.00 C ATOM 795 O PHE A 55 -11.383 17.077 3.546 1.00 0.00 O ATOM 796 CB PHE A 55 -9.419 15.217 3.806 1.00 0.00 C ATOM 797 CG PHE A 55 -8.431 16.329 3.583 1.00 0.00 C ATOM 798 CD1 PHE A 55 -7.246 16.095 2.903 1.00 0.00 C ATOM 799 CD2 PHE A 55 -8.685 17.606 4.059 1.00 0.00 C ATOM 800 CE1 PHE A 55 -6.335 17.114 2.700 1.00 0.00 C ATOM 801 CE2 PHE A 55 -7.777 18.628 3.859 1.00 0.00 C ATOM 802 CZ PHE A 55 -6.601 18.382 3.179 1.00 0.00 C ATOM 0 H PHE A 55 -8.883 15.506 1.336 1.00 0.00 H new ATOM 0 HA PHE A 55 -10.974 14.112 2.818 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.956 15.403 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -8.875 14.281 3.934 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.032 15.105 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.603 17.804 4.592 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.416 16.919 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.987 19.619 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.890 19.180 3.022 1.00 0.00 H new ATOM 812 N SER A 56 -12.376 16.169 1.744 1.00 0.00 N ATOM 813 CA SER A 56 -13.402 17.202 1.649 1.00 0.00 C ATOM 814 C SER A 56 -12.780 18.558 1.330 1.00 0.00 C ATOM 815 O SER A 56 -11.593 18.780 1.570 1.00 0.00 O ATOM 816 CB SER A 56 -14.195 17.288 2.956 1.00 0.00 C ATOM 817 OG SER A 56 -14.457 15.997 3.480 1.00 0.00 O ATOM 0 H SER A 56 -12.441 15.444 1.029 1.00 0.00 H new ATOM 0 HA SER A 56 -14.079 16.931 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.636 17.874 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.135 17.810 2.781 1.00 0.00 H new ATOM 0 HG SER A 56 -14.963 16.079 4.315 1.00 0.00 H new ATOM 823 N ASN A 57 -13.588 19.461 0.784 1.00 0.00 N ATOM 824 CA ASN A 57 -13.117 20.794 0.430 1.00 0.00 C ATOM 825 C ASN A 57 -12.874 21.635 1.679 1.00 0.00 C ATOM 826 O ASN A 57 -13.570 21.486 2.684 1.00 0.00 O ATOM 827 CB ASN A 57 -14.128 21.490 -0.483 1.00 0.00 C ATOM 828 CG ASN A 57 -13.751 21.387 -1.947 1.00 0.00 C ATOM 829 OD1 ASN A 57 -12.700 20.849 -2.294 1.00 0.00 O ATOM 830 ND2 ASN A 57 -14.611 21.904 -2.818 1.00 0.00 N ATOM 0 H ASN A 57 -14.573 19.293 0.577 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.172 20.689 -0.103 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.113 21.049 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.203 22.541 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.411 21.864 -3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.471 22.341 -2.487 1.00 0.00 H new ATOM 837 N ASP A 58 -11.883 22.517 1.609 1.00 0.00 N ATOM 838 CA ASP A 58 -11.549 23.384 2.734 1.00 0.00 C ATOM 839 C ASP A 58 -11.394 24.831 2.279 1.00 0.00 C ATOM 840 O ASP A 58 -12.163 25.705 2.682 1.00 0.00 O ATOM 841 CB ASP A 58 -10.259 22.904 3.408 1.00 0.00 C ATOM 842 CG ASP A 58 -10.496 22.404 4.820 1.00 0.00 C ATOM 843 OD1 ASP A 58 -11.066 23.165 5.630 1.00 0.00 O ATOM 844 OD2 ASP A 58 -10.110 21.254 5.116 1.00 0.00 O ATOM 0 H ASP A 58 -11.297 22.651 0.785 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.366 23.336 3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.816 22.106 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.538 23.722 3.431 1.00 0.00 H new ATOM 849 N LYS A 59 -10.396 25.079 1.437 1.00 0.00 N ATOM 850 CA LYS A 59 -10.141 26.421 0.927 1.00 0.00 C ATOM 851 C LYS A 59 -10.924 26.671 -0.358 1.00 0.00 C ATOM 852 O LYS A 59 -10.835 25.831 -1.278 1.00 0.00 O ATOM 853 CB LYS A 59 -8.643 26.617 0.677 1.00 0.00 C ATOM 854 CG LYS A 59 -8.079 27.871 1.324 1.00 0.00 C ATOM 855 CD LYS A 59 -6.561 27.905 1.243 1.00 0.00 C ATOM 856 CE LYS A 59 -5.932 26.780 2.052 1.00 0.00 C ATOM 857 NZ LYS A 59 -5.052 25.920 1.214 1.00 0.00 N ATOM 0 H LYS A 59 -9.751 24.368 1.093 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.473 27.139 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.103 25.749 1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.465 26.661 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.491 28.752 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.390 27.914 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.250 27.823 0.202 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.198 28.865 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.352 27.203 2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.718 26.170 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.643 25.166 1.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.610 25.496 0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.287 26.497 0.809 1.00 0.00 H new TER 871 LYS A 59