USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 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 10 SER OG : rot -115:sc= 0.128 USER MOD Set 1.2: A 13 SER OG : rot -170:sc= 0.125 USER MOD Single : A 1 ARG N :NH3+ 178:sc= 0 (180deg=-0.00534) USER MOD Single : A 20 SER OG : rot 33:sc= 1.09 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 TYR OH : rot 61:sc= 0.585 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 GLN : amide:sc= -3.32! K(o=-3.3!,f=0.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -42:sc= 0.148 USER MOD Single : A 28 ASN : amide:sc=-0.00859 X(o=-0.0086,f=-0.38) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 31 HIS : no HD1:sc= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 35 TYR OH : rot 9:sc= 0.26 USER MOD Single : A 36 SER OG : rot 136:sc= 1.17 USER MOD Single : A 41 ASN : amide:sc= -0.194 K(o=-0.19,f=-1) USER MOD Single : A 43 ASN : amide:sc= -0.332 X(o=-0.33,f=0.15) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.875 X(o=-0.87,f=-1.2) USER MOD Single : A 54 THR OG1 : rot -37:sc= 0.0456 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.137 -5.653 2.257 1.00 0.00 N ATOM 2 CA ARG A 1 10.739 -5.237 2.213 1.00 0.00 C ATOM 3 C ARG A 1 9.893 -6.290 2.935 1.00 0.00 C ATOM 4 O ARG A 1 9.936 -7.457 2.552 1.00 0.00 O ATOM 5 CB ARG A 1 10.281 -4.962 0.780 1.00 0.00 C ATOM 6 CG ARG A 1 10.640 -5.981 -0.319 1.00 0.00 C ATOM 7 CD ARG A 1 11.800 -5.514 -1.220 1.00 0.00 C ATOM 8 NE ARG A 1 13.150 -5.886 -0.749 1.00 0.00 N ATOM 9 CZ ARG A 1 13.812 -6.992 -1.145 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.173 -7.936 -1.842 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.103 -7.145 -0.844 1.00 0.00 N ATOM 0 H1 ARG A 1 12.721 -4.964 1.741 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.454 -5.702 3.246 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.235 -6.589 1.815 1.00 0.00 H new ATOM 0 HA ARG A 1 10.612 -4.288 2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.196 -4.859 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.689 -3.996 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.908 -6.929 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.761 -6.166 -0.936 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.654 -5.928 -2.218 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.752 -4.429 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 1 13.611 -5.267 -0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 1 12.187 -7.819 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.672 -8.773 -2.143 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.592 -6.424 -0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.601 -7.983 -1.145 1.00 0.00 H new ATOM 25 N PRO A 2 9.167 -5.914 4.000 1.00 0.00 N ATOM 26 CA PRO A 2 8.343 -6.831 4.777 1.00 0.00 C ATOM 27 C PRO A 2 7.207 -7.432 3.947 1.00 0.00 C ATOM 28 O PRO A 2 6.639 -6.789 3.063 1.00 0.00 O ATOM 29 CB PRO A 2 7.806 -6.007 5.950 1.00 0.00 C ATOM 30 CG PRO A 2 7.826 -4.581 5.423 1.00 0.00 C ATOM 31 CD PRO A 2 9.061 -4.570 4.529 1.00 0.00 C ATOM 0 HA PRO A 2 8.926 -7.686 5.119 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.799 -6.317 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.431 -6.116 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.920 -4.343 4.865 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.904 -3.852 6.230 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.958 -3.839 3.727 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.953 -4.299 5.095 1.00 0.00 H new ATOM 39 N ARG A 3 6.802 -8.655 4.286 1.00 0.00 N ATOM 40 CA ARG A 3 5.744 -9.377 3.589 1.00 0.00 C ATOM 41 C ARG A 3 4.387 -8.698 3.654 1.00 0.00 C ATOM 42 O ARG A 3 3.555 -8.956 2.797 1.00 0.00 O ATOM 43 CB ARG A 3 5.647 -10.836 4.081 1.00 0.00 C ATOM 44 CG ARG A 3 5.234 -11.020 5.555 1.00 0.00 C ATOM 45 CD ARG A 3 3.730 -10.978 5.860 1.00 0.00 C ATOM 46 NE ARG A 3 3.059 -12.237 5.521 1.00 0.00 N ATOM 47 CZ ARG A 3 2.722 -13.206 6.376 1.00 0.00 C ATOM 48 NH1 ARG A 3 3.143 -13.189 7.636 1.00 0.00 N ATOM 49 NH2 ARG A 3 1.946 -14.188 5.945 1.00 0.00 N ATOM 0 H ARG A 3 7.206 -9.177 5.063 1.00 0.00 H new ATOM 0 HA ARG A 3 6.033 -9.373 2.538 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.929 -11.364 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.615 -11.315 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.625 -11.977 5.901 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.723 -10.244 6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.582 -10.763 6.918 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.271 -10.162 5.302 1.00 0.00 H new ATOM 0 HE ARG A 3 2.828 -12.387 4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.735 -12.426 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.875 -13.939 8.274 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.619 -14.193 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.675 -14.940 6.579 1.00 0.00 H new ATOM 63 N PHE A 4 4.126 -7.845 4.647 1.00 0.00 N ATOM 64 CA PHE A 4 2.821 -7.216 4.743 1.00 0.00 C ATOM 65 C PHE A 4 2.595 -6.146 3.680 1.00 0.00 C ATOM 66 O PHE A 4 1.437 -5.858 3.377 1.00 0.00 O ATOM 67 CB PHE A 4 2.601 -6.642 6.146 1.00 0.00 C ATOM 68 CG PHE A 4 3.236 -5.288 6.383 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.590 -4.124 5.927 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.467 -5.186 7.050 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.177 -2.865 6.114 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.071 -3.928 7.210 1.00 0.00 C ATOM 73 CZ PHE A 4 4.429 -2.769 6.742 1.00 0.00 C ATOM 0 H PHE A 4 4.788 -7.583 5.377 1.00 0.00 H new ATOM 0 HA PHE A 4 2.084 -7.997 4.557 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.529 -6.562 6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.996 -7.346 6.878 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.635 -4.201 5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.948 -6.071 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.669 -1.974 5.777 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.033 -3.851 7.695 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.899 -1.804 6.865 1.00 0.00 H new ATOM 83 N CYS A 5 3.654 -5.533 3.132 1.00 0.00 N ATOM 84 CA CYS A 5 3.449 -4.489 2.140 1.00 0.00 C ATOM 85 C CYS A 5 3.326 -5.014 0.719 1.00 0.00 C ATOM 86 O CYS A 5 2.976 -4.246 -0.163 1.00 0.00 O ATOM 87 CB CYS A 5 4.491 -3.382 2.271 1.00 0.00 C ATOM 88 SG CYS A 5 6.238 -3.810 2.257 1.00 0.00 S ATOM 0 H CYS A 5 4.628 -5.739 3.355 1.00 0.00 H new ATOM 0 HA CYS A 5 2.477 -4.047 2.359 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.321 -2.674 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 5 4.291 -2.853 3.203 1.00 0.00 H new ATOM 93 N GLU A 6 3.569 -6.299 0.490 1.00 0.00 N ATOM 94 CA GLU A 6 3.494 -6.929 -0.835 1.00 0.00 C ATOM 95 C GLU A 6 2.218 -7.779 -0.976 1.00 0.00 C ATOM 96 O GLU A 6 2.164 -8.711 -1.782 1.00 0.00 O ATOM 97 CB GLU A 6 4.781 -7.744 -1.060 1.00 0.00 C ATOM 98 CG GLU A 6 4.978 -8.786 0.049 1.00 0.00 C ATOM 99 CD GLU A 6 6.178 -9.701 -0.145 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.299 -9.322 0.265 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.978 -10.861 -0.579 1.00 0.00 O ATOM 0 H GLU A 6 3.829 -6.950 1.231 1.00 0.00 H new ATOM 0 HA GLU A 6 3.426 -6.167 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.734 -8.243 -2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.639 -7.073 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.084 -8.267 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.079 -9.398 0.118 1.00 0.00 H new ATOM 108 N LEU A 7 1.214 -7.538 -0.128 1.00 0.00 N ATOM 109 CA LEU A 7 -0.045 -8.288 -0.144 1.00 0.00 C ATOM 110 C LEU A 7 -1.003 -7.684 -1.170 1.00 0.00 C ATOM 111 O LEU A 7 -0.638 -6.743 -1.867 1.00 0.00 O ATOM 112 CB LEU A 7 -0.669 -8.309 1.260 1.00 0.00 C ATOM 113 CG LEU A 7 0.249 -8.840 2.376 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.506 -8.870 3.701 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.794 -10.243 2.149 1.00 0.00 C ATOM 0 H LEU A 7 1.252 -6.815 0.591 1.00 0.00 H new ATOM 0 HA LEU A 7 0.156 -9.319 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.979 -7.296 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.570 -8.921 1.231 1.00 0.00 H new ATOM 0 HG LEU A 7 1.095 -8.152 2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.150 -9.247 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.834 -7.862 3.956 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.374 -9.522 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.429 -10.527 2.988 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.035 -10.946 2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.379 -10.262 1.229 1.00 0.00 H new ATOM 127 N ALA A 8 -2.208 -8.231 -1.324 1.00 0.00 N ATOM 128 CA ALA A 8 -3.191 -7.702 -2.262 1.00 0.00 C ATOM 129 C ALA A 8 -4.218 -6.840 -1.508 1.00 0.00 C ATOM 130 O ALA A 8 -5.041 -7.383 -0.761 1.00 0.00 O ATOM 131 CB ALA A 8 -3.826 -8.841 -3.041 1.00 0.00 C ATOM 0 H ALA A 8 -2.527 -9.049 -0.804 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.707 -7.053 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.559 -8.439 -3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.055 -9.378 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.320 -9.524 -2.350 1.00 0.00 H new ATOM 137 N PRO A 9 -4.205 -5.504 -1.636 1.00 0.00 N ATOM 138 CA PRO A 9 -5.157 -4.641 -0.948 1.00 0.00 C ATOM 139 C PRO A 9 -6.543 -4.617 -1.647 1.00 0.00 C ATOM 140 O PRO A 9 -6.957 -3.562 -2.129 1.00 0.00 O ATOM 141 CB PRO A 9 -4.454 -3.280 -0.936 1.00 0.00 C ATOM 142 CG PRO A 9 -3.746 -3.262 -2.288 1.00 0.00 C ATOM 143 CD PRO A 9 -3.300 -4.707 -2.459 1.00 0.00 C ATOM 0 HA PRO A 9 -5.398 -4.984 0.058 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.163 -2.458 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.750 -3.194 -0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.415 -2.948 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.900 -2.575 -2.291 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.352 -5.011 -3.504 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.266 -4.837 -2.141 1.00 0.00 H new ATOM 151 N SER A 10 -7.277 -5.742 -1.670 1.00 0.00 N ATOM 152 CA SER A 10 -8.609 -5.893 -2.276 1.00 0.00 C ATOM 153 C SER A 10 -9.564 -4.809 -1.778 1.00 0.00 C ATOM 154 O SER A 10 -10.118 -4.889 -0.679 1.00 0.00 O ATOM 155 CB SER A 10 -9.205 -7.281 -1.987 1.00 0.00 C ATOM 156 OG SER A 10 -10.462 -7.465 -2.623 1.00 0.00 O ATOM 0 H SER A 10 -6.943 -6.608 -1.248 1.00 0.00 H new ATOM 0 HA SER A 10 -8.484 -5.788 -3.354 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.512 -8.051 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.321 -7.408 -0.911 1.00 0.00 H new ATOM 0 HG SER A 10 -11.161 -7.565 -1.943 1.00 0.00 H new ATOM 162 N ALA A 11 -9.769 -3.782 -2.593 1.00 0.00 N ATOM 163 CA ALA A 11 -10.653 -2.683 -2.267 1.00 0.00 C ATOM 164 C ALA A 11 -12.097 -2.991 -2.689 1.00 0.00 C ATOM 165 O ALA A 11 -12.983 -2.185 -2.431 1.00 0.00 O ATOM 166 CB ALA A 11 -10.119 -1.409 -2.929 1.00 0.00 C ATOM 0 H ALA A 11 -9.320 -3.693 -3.505 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.675 -2.535 -1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.776 -0.573 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.116 -1.199 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.084 -1.548 -4.010 1.00 0.00 H new ATOM 172 N GLY A 12 -12.352 -4.141 -3.321 1.00 0.00 N ATOM 173 CA GLY A 12 -13.678 -4.528 -3.794 1.00 0.00 C ATOM 174 C GLY A 12 -14.476 -5.325 -2.774 1.00 0.00 C ATOM 175 O GLY A 12 -15.649 -5.624 -3.003 1.00 0.00 O ATOM 0 H GLY A 12 -11.632 -4.836 -3.519 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.237 -3.631 -4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.573 -5.119 -4.704 1.00 0.00 H new ATOM 179 N SER A 13 -13.856 -5.682 -1.650 1.00 0.00 N ATOM 180 CA SER A 13 -14.505 -6.448 -0.604 1.00 0.00 C ATOM 181 C SER A 13 -15.603 -5.639 0.093 1.00 0.00 C ATOM 182 O SER A 13 -16.679 -6.169 0.386 1.00 0.00 O ATOM 183 CB SER A 13 -13.437 -6.876 0.394 1.00 0.00 C ATOM 184 OG SER A 13 -12.470 -7.746 -0.180 1.00 0.00 O ATOM 0 H SER A 13 -12.886 -5.444 -1.445 1.00 0.00 H new ATOM 0 HA SER A 13 -14.991 -7.320 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.936 -5.991 0.787 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.913 -7.374 1.239 1.00 0.00 H new ATOM 0 HG SER A 13 -11.902 -8.117 0.528 1.00 0.00 H new ATOM 190 N CYS A 14 -15.349 -4.365 0.379 1.00 0.00 N ATOM 191 CA CYS A 14 -16.268 -3.452 1.048 1.00 0.00 C ATOM 192 C CYS A 14 -16.444 -2.212 0.184 1.00 0.00 C ATOM 193 O CYS A 14 -15.620 -2.004 -0.709 1.00 0.00 O ATOM 194 CB CYS A 14 -15.691 -3.113 2.423 1.00 0.00 C ATOM 195 SG CYS A 14 -15.480 -4.565 3.484 1.00 0.00 S ATOM 0 H CYS A 14 -14.461 -3.924 0.141 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.250 -3.904 1.188 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -14.727 -2.622 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.348 -2.400 2.920 1.00 0.00 H new ATOM 200 N PHE A 15 -17.483 -1.399 0.414 1.00 0.00 N ATOM 201 CA PHE A 15 -17.651 -0.200 -0.397 1.00 0.00 C ATOM 202 C PHE A 15 -17.328 1.024 0.445 1.00 0.00 C ATOM 203 O PHE A 15 -18.117 1.469 1.286 1.00 0.00 O ATOM 204 CB PHE A 15 -19.063 -0.088 -0.985 1.00 0.00 C ATOM 205 CG PHE A 15 -19.310 1.237 -1.700 1.00 0.00 C ATOM 206 CD1 PHE A 15 -18.332 1.788 -2.553 1.00 0.00 C ATOM 207 CD2 PHE A 15 -20.497 1.957 -1.473 1.00 0.00 C ATOM 208 CE1 PHE A 15 -18.547 3.020 -3.192 1.00 0.00 C ATOM 209 CE2 PHE A 15 -20.728 3.174 -2.132 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.759 3.698 -3.005 1.00 0.00 C ATOM 0 H PHE A 15 -18.194 -1.546 1.130 1.00 0.00 H new ATOM 0 HA PHE A 15 -16.963 -0.264 -1.240 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.225 -0.908 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -19.794 -0.204 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -17.406 1.256 -2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.236 1.570 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -17.781 3.443 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -21.652 3.709 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.948 4.622 -3.531 1.00 0.00 H new ATOM 220 N ALA A 16 -16.156 1.569 0.156 1.00 0.00 N ATOM 221 CA ALA A 16 -15.560 2.751 0.726 1.00 0.00 C ATOM 222 C ALA A 16 -14.705 3.342 -0.396 1.00 0.00 C ATOM 223 O ALA A 16 -14.255 2.615 -1.288 1.00 0.00 O ATOM 224 CB ALA A 16 -14.750 2.400 1.975 1.00 0.00 C ATOM 0 H ALA A 16 -15.549 1.151 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.298 3.476 1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.309 3.307 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.405 1.943 2.717 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.958 1.699 1.710 1.00 0.00 H new ATOM 230 N PHE A 17 -14.483 4.651 -0.363 1.00 0.00 N ATOM 231 CA PHE A 17 -13.685 5.341 -1.361 1.00 0.00 C ATOM 232 C PHE A 17 -12.696 6.247 -0.654 1.00 0.00 C ATOM 233 O PHE A 17 -13.079 7.337 -0.221 1.00 0.00 O ATOM 234 CB PHE A 17 -14.651 6.103 -2.280 1.00 0.00 C ATOM 235 CG PHE A 17 -14.013 7.078 -3.250 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.933 6.677 -4.055 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.490 8.399 -3.342 1.00 0.00 C ATOM 238 CE1 PHE A 17 -12.303 7.590 -4.915 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.887 9.305 -4.231 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.795 8.901 -5.013 1.00 0.00 C ATOM 0 H PHE A 17 -14.855 5.264 0.362 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.102 4.656 -1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.227 5.376 -2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.358 6.651 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.584 5.656 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.320 8.717 -2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.446 7.286 -5.497 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.265 10.313 -4.312 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.331 9.601 -5.693 1.00 0.00 H new ATOM 250 N VAL A 18 -11.464 5.776 -0.467 1.00 0.00 N ATOM 251 CA VAL A 18 -10.394 6.524 0.161 1.00 0.00 C ATOM 252 C VAL A 18 -9.104 6.258 -0.617 1.00 0.00 C ATOM 253 O VAL A 18 -8.694 5.096 -0.709 1.00 0.00 O ATOM 254 CB VAL A 18 -10.281 6.178 1.657 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.372 6.900 2.463 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.379 4.675 1.945 1.00 0.00 C ATOM 0 H VAL A 18 -11.183 4.840 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.602 7.593 0.126 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.289 6.512 1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.275 6.643 3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.262 7.977 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.354 6.593 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.292 4.504 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.340 4.299 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.575 4.152 1.427 1.00 0.00 H new ATOM 266 N PRO A 19 -8.429 7.261 -1.198 1.00 0.00 N ATOM 267 CA PRO A 19 -7.196 7.000 -1.903 1.00 0.00 C ATOM 268 C PRO A 19 -6.179 6.534 -0.866 1.00 0.00 C ATOM 269 O PRO A 19 -6.060 7.135 0.209 1.00 0.00 O ATOM 270 CB PRO A 19 -6.795 8.316 -2.566 1.00 0.00 C ATOM 271 CG PRO A 19 -7.449 9.374 -1.683 1.00 0.00 C ATOM 272 CD PRO A 19 -8.729 8.678 -1.219 1.00 0.00 C ATOM 0 HA PRO A 19 -7.275 6.230 -2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.712 8.435 -2.599 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.154 8.373 -3.594 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.812 9.652 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.663 10.288 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.027 9.028 -0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.556 8.892 -1.896 1.00 0.00 H new ATOM 280 N SER A 20 -5.483 5.442 -1.163 1.00 0.00 N ATOM 281 CA SER A 20 -4.449 4.863 -0.319 1.00 0.00 C ATOM 282 C SER A 20 -3.140 4.779 -1.107 1.00 0.00 C ATOM 283 O SER A 20 -3.018 5.383 -2.176 1.00 0.00 O ATOM 284 CB SER A 20 -4.975 3.553 0.234 1.00 0.00 C ATOM 285 OG SER A 20 -4.127 2.952 1.180 1.00 0.00 O ATOM 0 H SER A 20 -5.629 4.920 -2.027 1.00 0.00 H new ATOM 0 HA SER A 20 -4.209 5.481 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.948 3.728 0.693 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.132 2.859 -0.591 1.00 0.00 H new ATOM 0 HG SER A 20 -3.666 3.647 1.695 1.00 0.00 H new ATOM 291 N TYR A 21 -2.107 4.170 -0.530 1.00 0.00 N ATOM 292 CA TYR A 21 -0.809 4.018 -1.181 1.00 0.00 C ATOM 293 C TYR A 21 -0.538 2.547 -1.411 1.00 0.00 C ATOM 294 O TYR A 21 -0.765 1.728 -0.521 1.00 0.00 O ATOM 295 CB TYR A 21 0.300 4.660 -0.357 1.00 0.00 C ATOM 296 CG TYR A 21 0.576 6.094 -0.746 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.475 6.417 -1.786 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.127 7.112 -0.085 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.636 7.758 -2.172 1.00 0.00 C ATOM 300 CE2 TYR A 21 0.058 8.453 -0.445 1.00 0.00 C ATOM 301 CZ TYR A 21 0.940 8.783 -1.496 1.00 0.00 C ATOM 302 OH TYR A 21 1.127 10.076 -1.861 1.00 0.00 O ATOM 0 H TYR A 21 -2.147 3.767 0.406 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.830 4.532 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.028 4.622 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.214 4.077 -0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.035 5.638 -2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.816 6.860 0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.296 8.006 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.473 9.233 0.081 1.00 0.00 H new ATOM 0 HH TYR A 21 0.574 10.658 -1.299 1.00 0.00 H new ATOM 312 N TYR A 22 -0.059 2.252 -2.615 1.00 0.00 N ATOM 313 CA TYR A 22 0.277 0.929 -3.093 1.00 0.00 C ATOM 314 C TYR A 22 1.787 0.787 -3.152 1.00 0.00 C ATOM 315 O TYR A 22 2.461 1.603 -3.785 1.00 0.00 O ATOM 316 CB TYR A 22 -0.310 0.712 -4.492 1.00 0.00 C ATOM 317 CG TYR A 22 -0.496 -0.756 -4.781 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.623 -1.597 -4.875 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.786 -1.304 -4.855 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.465 -2.983 -4.961 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.955 -2.690 -5.000 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.829 -3.544 -5.022 1.00 0.00 C ATOM 323 OH TYR A 22 -0.994 -4.894 -5.062 1.00 0.00 O ATOM 0 H TYR A 22 0.112 2.973 -3.316 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.138 0.185 -2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.268 1.226 -4.571 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.350 1.152 -5.239 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.615 -1.170 -4.881 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.650 -0.658 -4.800 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.333 -3.625 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.948 -3.105 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.256 -5.328 -4.585 1.00 0.00 H new ATOM 333 N TYR A 23 2.326 -0.245 -2.514 1.00 0.00 N ATOM 334 CA TYR A 23 3.770 -0.483 -2.513 1.00 0.00 C ATOM 335 C TYR A 23 4.194 -1.361 -3.701 1.00 0.00 C ATOM 336 O TYR A 23 3.615 -2.429 -3.911 1.00 0.00 O ATOM 337 CB TYR A 23 4.169 -1.114 -1.183 1.00 0.00 C ATOM 338 CG TYR A 23 5.624 -1.522 -1.155 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.639 -0.569 -1.368 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.956 -2.877 -1.012 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.977 -0.978 -1.470 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.293 -3.284 -1.049 1.00 0.00 C ATOM 343 CZ TYR A 23 8.305 -2.341 -1.320 1.00 0.00 C ATOM 344 OH TYR A 23 9.585 -2.765 -1.439 1.00 0.00 O ATOM 0 H TYR A 23 1.786 -0.933 -1.989 1.00 0.00 H new ATOM 0 HA TYR A 23 4.290 0.468 -2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.977 -0.407 -0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.545 -1.988 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.387 0.478 -1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.175 -3.610 -0.873 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.753 -0.252 -1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.550 -4.318 -0.870 1.00 0.00 H new ATOM 0 HH TYR A 23 10.138 -2.332 -0.755 1.00 0.00 H new ATOM 354 N ASN A 24 5.205 -0.937 -4.475 1.00 0.00 N ATOM 355 CA ASN A 24 5.716 -1.661 -5.640 1.00 0.00 C ATOM 356 C ASN A 24 7.202 -1.951 -5.472 1.00 0.00 C ATOM 357 O ASN A 24 8.070 -1.202 -5.930 1.00 0.00 O ATOM 358 CB ASN A 24 5.447 -0.934 -6.974 1.00 0.00 C ATOM 359 CG ASN A 24 4.109 -1.337 -7.580 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.071 -1.184 -6.944 1.00 0.00 O ATOM 361 ND2 ASN A 24 4.092 -1.850 -8.796 1.00 0.00 N ATOM 0 H ASN A 24 5.698 -0.061 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 24 5.168 -2.602 -5.690 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.461 0.143 -6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.247 -1.160 -7.678 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.207 -2.126 -9.221 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.964 -1.970 -9.311 1.00 0.00 H new ATOM 368 N GLN A 25 7.501 -3.083 -4.839 1.00 0.00 N ATOM 369 CA GLN A 25 8.851 -3.575 -4.601 1.00 0.00 C ATOM 370 C GLN A 25 9.590 -3.749 -5.926 1.00 0.00 C ATOM 371 O GLN A 25 10.798 -3.528 -5.971 1.00 0.00 O ATOM 372 CB GLN A 25 8.847 -4.886 -3.790 1.00 0.00 C ATOM 373 CG GLN A 25 8.279 -6.165 -4.430 1.00 0.00 C ATOM 374 CD GLN A 25 6.797 -6.158 -4.806 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.387 -6.886 -5.697 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.933 -5.377 -4.175 1.00 0.00 N ATOM 0 H GLN A 25 6.783 -3.703 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 25 9.379 -2.833 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.877 -5.095 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.288 -4.702 -2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.855 -6.377 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.449 -6.992 -3.741 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.254 -4.761 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.947 -5.392 -4.436 1.00 0.00 H new ATOM 385 N TYR A 26 8.868 -4.078 -7.004 1.00 0.00 N ATOM 386 CA TYR A 26 9.433 -4.258 -8.332 1.00 0.00 C ATOM 387 C TYR A 26 10.172 -3.005 -8.802 1.00 0.00 C ATOM 388 O TYR A 26 11.158 -3.121 -9.528 1.00 0.00 O ATOM 389 CB TYR A 26 8.315 -4.583 -9.325 1.00 0.00 C ATOM 390 CG TYR A 26 7.517 -5.834 -9.023 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.171 -7.076 -8.903 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.117 -5.760 -8.888 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.426 -8.248 -8.688 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.367 -6.928 -8.664 1.00 0.00 C ATOM 395 CZ TYR A 26 6.020 -8.179 -8.570 1.00 0.00 C ATOM 396 OH TYR A 26 5.306 -9.320 -8.383 1.00 0.00 O ATOM 0 H TYR A 26 7.860 -4.227 -6.970 1.00 0.00 H new ATOM 0 HA TYR A 26 10.148 -5.080 -8.283 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.630 -3.736 -9.363 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.753 -4.684 -10.318 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.247 -7.128 -8.976 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.619 -4.804 -8.957 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.928 -9.201 -8.613 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.293 -6.870 -8.564 1.00 0.00 H new ATOM 0 HH TYR A 26 4.352 -9.103 -8.320 1.00 0.00 H new ATOM 406 N SER A 27 9.723 -1.825 -8.367 1.00 0.00 N ATOM 407 CA SER A 27 10.332 -0.552 -8.745 1.00 0.00 C ATOM 408 C SER A 27 10.922 0.178 -7.534 1.00 0.00 C ATOM 409 O SER A 27 11.368 1.320 -7.659 1.00 0.00 O ATOM 410 CB SER A 27 9.309 0.275 -9.530 1.00 0.00 C ATOM 411 OG SER A 27 9.938 1.323 -10.237 1.00 0.00 O ATOM 0 H SER A 27 8.924 -1.728 -7.741 1.00 0.00 H new ATOM 0 HA SER A 27 11.185 -0.729 -9.400 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.775 -0.369 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.568 0.687 -8.845 1.00 0.00 H new ATOM 0 HG SER A 27 10.614 1.743 -9.666 1.00 0.00 H new ATOM 417 N ASN A 28 10.973 -0.477 -6.366 1.00 0.00 N ATOM 418 CA ASN A 28 11.509 0.070 -5.126 1.00 0.00 C ATOM 419 C ASN A 28 10.890 1.447 -4.839 1.00 0.00 C ATOM 420 O ASN A 28 11.590 2.418 -4.564 1.00 0.00 O ATOM 421 CB ASN A 28 13.052 0.068 -5.256 1.00 0.00 C ATOM 422 CG ASN A 28 13.853 0.698 -4.124 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.535 1.703 -4.312 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.866 0.100 -2.954 1.00 0.00 N ATOM 0 H ASN A 28 10.630 -1.432 -6.262 1.00 0.00 H new ATOM 0 HA ASN A 28 11.247 -0.533 -4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.379 -0.966 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.313 0.584 -6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.443 0.470 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.299 -0.734 -2.801 1.00 0.00 H new ATOM 431 N THR A 29 9.563 1.549 -4.948 1.00 0.00 N ATOM 432 CA THR A 29 8.836 2.785 -4.695 1.00 0.00 C ATOM 433 C THR A 29 7.415 2.448 -4.222 1.00 0.00 C ATOM 434 O THR A 29 7.062 1.281 -4.013 1.00 0.00 O ATOM 435 CB THR A 29 8.892 3.702 -5.941 1.00 0.00 C ATOM 436 OG1 THR A 29 8.553 5.031 -5.577 1.00 0.00 O ATOM 437 CG2 THR A 29 7.982 3.231 -7.080 1.00 0.00 C ATOM 0 H THR A 29 8.964 0.769 -5.216 1.00 0.00 H new ATOM 0 HA THR A 29 9.303 3.355 -3.892 1.00 0.00 H new ATOM 0 HB THR A 29 9.915 3.659 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.592 5.607 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.069 3.917 -7.922 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.281 2.231 -7.395 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.948 3.209 -6.735 1.00 0.00 H new ATOM 445 N CYS A 30 6.605 3.479 -4.014 1.00 0.00 N ATOM 446 CA CYS A 30 5.224 3.432 -3.591 1.00 0.00 C ATOM 447 C CYS A 30 4.497 4.440 -4.470 1.00 0.00 C ATOM 448 O CYS A 30 5.082 5.455 -4.859 1.00 0.00 O ATOM 449 CB CYS A 30 5.115 3.803 -2.112 1.00 0.00 C ATOM 450 SG CYS A 30 3.755 2.998 -1.242 1.00 0.00 S ATOM 0 H CYS A 30 6.927 4.437 -4.149 1.00 0.00 H new ATOM 0 HA CYS A 30 4.792 2.437 -3.694 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.051 3.547 -1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.995 4.883 -2.028 1.00 0.00 H new ATOM 455 N HIS A 31 3.217 4.211 -4.740 1.00 0.00 N ATOM 456 CA HIS A 31 2.422 5.079 -5.587 1.00 0.00 C ATOM 457 C HIS A 31 0.996 5.128 -5.068 1.00 0.00 C ATOM 458 O HIS A 31 0.479 4.125 -4.578 1.00 0.00 O ATOM 459 CB HIS A 31 2.478 4.502 -7.006 1.00 0.00 C ATOM 460 CG HIS A 31 2.195 5.479 -8.106 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.465 5.226 -9.243 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.760 6.713 -8.236 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.585 6.286 -10.053 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.351 7.229 -9.472 1.00 0.00 N ATOM 0 H HIS A 31 2.702 3.411 -4.373 1.00 0.00 H new ATOM 0 HA HIS A 31 2.806 6.099 -5.587 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.467 4.074 -7.168 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.762 3.683 -7.076 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.403 7.202 -7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.133 6.372 -11.030 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.588 8.143 -9.858 1.00 0.00 H new ATOM 472 N SER A 32 0.341 6.279 -5.160 1.00 0.00 N ATOM 473 CA SER A 32 -1.026 6.395 -4.683 1.00 0.00 C ATOM 474 C SER A 32 -1.980 5.575 -5.563 1.00 0.00 C ATOM 475 O SER A 32 -1.812 5.532 -6.784 1.00 0.00 O ATOM 476 CB SER A 32 -1.422 7.869 -4.597 1.00 0.00 C ATOM 477 OG SER A 32 -1.399 8.535 -5.852 1.00 0.00 O ATOM 0 H SER A 32 0.731 7.134 -5.556 1.00 0.00 H new ATOM 0 HA SER A 32 -1.098 5.979 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.423 7.944 -4.173 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.746 8.379 -3.911 1.00 0.00 H new ATOM 0 HG SER A 32 -1.663 9.471 -5.731 1.00 0.00 H new ATOM 483 N PHE A 33 -2.954 4.894 -4.959 1.00 0.00 N ATOM 484 CA PHE A 33 -3.977 4.087 -5.632 1.00 0.00 C ATOM 485 C PHE A 33 -5.314 4.296 -4.891 1.00 0.00 C ATOM 486 O PHE A 33 -5.390 5.139 -3.995 1.00 0.00 O ATOM 487 CB PHE A 33 -3.555 2.619 -5.793 1.00 0.00 C ATOM 488 CG PHE A 33 -3.926 1.740 -4.628 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.337 1.967 -3.375 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.865 0.704 -4.792 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.707 1.187 -2.279 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.245 -0.072 -3.686 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.689 0.197 -2.429 1.00 0.00 C ATOM 0 H PHE A 33 -3.058 4.888 -3.944 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.107 4.420 -6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.013 2.218 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.475 2.576 -5.937 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.597 2.745 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.291 0.507 -5.765 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.239 1.345 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.962 -0.871 -3.803 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.020 -0.363 -1.567 1.00 0.00 H new ATOM 503 N THR A 34 -6.404 3.656 -5.305 1.00 0.00 N ATOM 504 CA THR A 34 -7.722 3.800 -4.672 1.00 0.00 C ATOM 505 C THR A 34 -7.989 2.613 -3.744 1.00 0.00 C ATOM 506 O THR A 34 -7.787 1.469 -4.156 1.00 0.00 O ATOM 507 CB THR A 34 -8.803 3.938 -5.762 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.605 3.035 -6.836 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.833 5.352 -6.344 1.00 0.00 C ATOM 0 H THR A 34 -6.402 3.014 -6.098 1.00 0.00 H new ATOM 0 HA THR A 34 -7.746 4.702 -4.061 1.00 0.00 H new ATOM 0 HB THR A 34 -9.747 3.711 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.314 3.157 -7.501 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.606 5.414 -7.110 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.049 6.067 -5.551 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.864 5.584 -6.787 1.00 0.00 H new ATOM 517 N TYR A 35 -8.386 2.849 -2.486 1.00 0.00 N ATOM 518 CA TYR A 35 -8.681 1.784 -1.530 1.00 0.00 C ATOM 519 C TYR A 35 -10.075 1.952 -0.913 1.00 0.00 C ATOM 520 O TYR A 35 -10.736 2.972 -1.109 1.00 0.00 O ATOM 521 CB TYR A 35 -7.583 1.668 -0.480 1.00 0.00 C ATOM 522 CG TYR A 35 -7.649 0.490 0.495 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.215 -0.816 0.181 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.135 0.728 1.784 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.215 -1.833 1.158 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.233 -0.303 2.736 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.735 -1.585 2.448 1.00 0.00 C ATOM 528 OH TYR A 35 -7.731 -2.516 3.443 1.00 0.00 O ATOM 0 H TYR A 35 -8.511 3.787 -2.106 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.698 0.839 -2.072 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.626 1.619 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.581 2.587 0.105 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.879 -1.039 -0.821 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.443 1.727 2.055 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.815 -2.807 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.693 -0.108 3.693 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.199 -3.290 3.164 1.00 0.00 H new ATOM 538 N SER A 36 -10.513 0.941 -0.169 1.00 0.00 N ATOM 539 CA SER A 36 -11.788 0.868 0.520 1.00 0.00 C ATOM 540 C SER A 36 -11.492 0.886 2.030 1.00 0.00 C ATOM 541 O SER A 36 -10.754 1.758 2.493 1.00 0.00 O ATOM 542 CB SER A 36 -12.518 -0.356 -0.054 1.00 0.00 C ATOM 543 OG SER A 36 -13.730 -0.674 0.582 1.00 0.00 O ATOM 0 H SER A 36 -9.950 0.103 -0.025 1.00 0.00 H new ATOM 0 HA SER A 36 -12.468 1.706 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.715 -0.181 -1.112 1.00 0.00 H new ATOM 0 HB3 SER A 36 -11.855 -1.219 0.008 1.00 0.00 H new ATOM 0 HG SER A 36 -14.410 -0.879 -0.093 1.00 0.00 H new ATOM 549 N GLY A 37 -11.999 -0.067 2.809 1.00 0.00 N ATOM 550 CA GLY A 37 -11.779 -0.123 4.246 1.00 0.00 C ATOM 551 C GLY A 37 -11.449 -1.535 4.700 1.00 0.00 C ATOM 552 O GLY A 37 -10.309 -1.816 5.083 1.00 0.00 O ATOM 0 H GLY A 37 -12.579 -0.827 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.964 0.548 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.670 0.230 4.766 1.00 0.00 H new ATOM 556 N CYS A 38 -12.437 -2.424 4.676 1.00 0.00 N ATOM 557 CA CYS A 38 -12.272 -3.813 5.076 1.00 0.00 C ATOM 558 C CYS A 38 -11.940 -4.709 3.878 1.00 0.00 C ATOM 559 O CYS A 38 -12.006 -4.286 2.720 1.00 0.00 O ATOM 560 CB CYS A 38 -13.511 -4.276 5.849 1.00 0.00 C ATOM 561 SG CYS A 38 -15.154 -3.747 5.307 1.00 0.00 S ATOM 0 H CYS A 38 -13.384 -2.195 4.375 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.416 -3.895 5.746 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.504 -5.366 5.852 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.389 -3.953 6.883 1.00 0.00 H new ATOM 566 N GLY A 39 -11.585 -5.967 4.160 1.00 0.00 N ATOM 567 CA GLY A 39 -11.233 -6.964 3.161 1.00 0.00 C ATOM 568 C GLY A 39 -9.769 -6.883 2.768 1.00 0.00 C ATOM 569 O GLY A 39 -8.983 -7.762 3.125 1.00 0.00 O ATOM 0 H GLY A 39 -11.535 -6.322 5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.449 -7.959 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.854 -6.826 2.276 1.00 0.00 H new ATOM 573 N GLY A 40 -9.406 -5.821 2.048 1.00 0.00 N ATOM 574 CA GLY A 40 -8.063 -5.570 1.556 1.00 0.00 C ATOM 575 C GLY A 40 -6.985 -5.771 2.613 1.00 0.00 C ATOM 576 O GLY A 40 -7.105 -5.272 3.730 1.00 0.00 O ATOM 0 H GLY A 40 -10.067 -5.090 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.863 -6.232 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.007 -4.549 1.180 1.00 0.00 H new ATOM 580 N ASN A 41 -5.926 -6.484 2.231 1.00 0.00 N ATOM 581 CA ASN A 41 -4.788 -6.815 3.081 1.00 0.00 C ATOM 582 C ASN A 41 -3.958 -5.600 3.503 1.00 0.00 C ATOM 583 O ASN A 41 -4.124 -4.495 2.980 1.00 0.00 O ATOM 584 CB ASN A 41 -3.890 -7.811 2.339 1.00 0.00 C ATOM 585 CG ASN A 41 -4.527 -9.171 2.043 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.259 -9.777 1.010 1.00 0.00 O ATOM 587 ND2 ASN A 41 -5.370 -9.705 2.915 1.00 0.00 N ATOM 0 H ASN A 41 -5.836 -6.859 1.287 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.191 -7.245 3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.578 -7.361 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.988 -7.971 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.792 -10.614 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.597 -9.207 3.776 1.00 0.00 H new ATOM 594 N ALA A 42 -2.978 -5.865 4.379 1.00 0.00 N ATOM 595 CA ALA A 42 -2.036 -4.923 4.978 1.00 0.00 C ATOM 596 C ALA A 42 -1.190 -4.095 4.006 1.00 0.00 C ATOM 597 O ALA A 42 -0.445 -3.235 4.472 1.00 0.00 O ATOM 598 CB ALA A 42 -1.132 -5.660 5.963 1.00 0.00 C ATOM 0 H ALA A 42 -2.816 -6.817 4.709 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.663 -4.186 5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.430 -4.956 6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.740 -6.112 6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.580 -6.439 5.437 1.00 0.00 H new ATOM 604 N ASN A 43 -1.279 -4.329 2.688 1.00 0.00 N ATOM 605 CA ASN A 43 -0.552 -3.552 1.676 1.00 0.00 C ATOM 606 C ASN A 43 -1.017 -2.081 1.756 1.00 0.00 C ATOM 607 O ASN A 43 -0.342 -1.193 1.238 1.00 0.00 O ATOM 608 CB ASN A 43 -0.742 -4.208 0.293 1.00 0.00 C ATOM 609 CG ASN A 43 -0.070 -3.568 -0.935 1.00 0.00 C ATOM 610 OD1 ASN A 43 0.571 -4.239 -1.728 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.272 -2.308 -1.249 1.00 0.00 N ATOM 0 H ASN A 43 -1.861 -5.068 2.293 1.00 0.00 H new ATOM 0 HA ASN A 43 0.523 -3.549 1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.386 -5.236 0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.813 -4.255 0.095 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.101 -1.934 -2.122 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.802 -1.704 -0.620 1.00 0.00 H new ATOM 618 N ARG A 44 -2.077 -1.787 2.527 1.00 0.00 N ATOM 619 CA ARG A 44 -2.587 -0.440 2.688 1.00 0.00 C ATOM 620 C ARG A 44 -1.626 0.420 3.501 1.00 0.00 C ATOM 621 O ARG A 44 -1.111 0.004 4.537 1.00 0.00 O ATOM 622 CB ARG A 44 -3.927 -0.502 3.474 1.00 0.00 C ATOM 623 CG ARG A 44 -4.692 0.835 3.452 1.00 0.00 C ATOM 624 CD ARG A 44 -5.467 1.282 4.683 1.00 0.00 C ATOM 625 NE ARG A 44 -6.790 1.786 4.270 1.00 0.00 N ATOM 626 CZ ARG A 44 -7.738 2.320 5.063 1.00 0.00 C ATOM 627 NH1 ARG A 44 -7.504 2.533 6.351 1.00 0.00 N ATOM 628 NH2 ARG A 44 -8.947 2.636 4.602 1.00 0.00 N ATOM 0 H ARG A 44 -2.598 -2.489 3.053 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.716 -0.007 1.696 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.557 -1.283 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.725 -0.783 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.971 1.619 3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.397 0.793 2.621 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.583 0.449 5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.917 2.061 5.210 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.011 1.723 3.276 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -6.597 2.292 6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.231 2.938 6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.177 2.475 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -9.643 3.039 5.230 1.00 0.00 H new ATOM 642 N PHE A 45 -1.444 1.652 3.027 1.00 0.00 N ATOM 643 CA PHE A 45 -0.620 2.687 3.622 1.00 0.00 C ATOM 644 C PHE A 45 -1.387 4.005 3.552 1.00 0.00 C ATOM 645 O PHE A 45 -2.369 4.141 2.819 1.00 0.00 O ATOM 646 CB PHE A 45 0.726 2.803 2.899 1.00 0.00 C ATOM 647 CG PHE A 45 1.723 1.740 3.281 1.00 0.00 C ATOM 648 CD1 PHE A 45 2.218 1.681 4.598 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.177 0.827 2.315 1.00 0.00 C ATOM 650 CE1 PHE A 45 3.172 0.713 4.943 1.00 0.00 C ATOM 651 CE2 PHE A 45 3.160 -0.113 2.655 1.00 0.00 C ATOM 652 CZ PHE A 45 3.662 -0.169 3.965 1.00 0.00 C ATOM 0 H PHE A 45 -1.896 1.966 2.168 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.405 2.435 4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.554 2.755 1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.156 3.782 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.863 2.380 5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.771 0.849 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.530 0.645 5.960 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.532 -0.797 1.906 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.425 -0.890 4.221 1.00 0.00 H new ATOM 662 N ARG A 46 -0.911 4.995 4.307 1.00 0.00 N ATOM 663 CA ARG A 46 -1.498 6.333 4.392 1.00 0.00 C ATOM 664 C ARG A 46 -0.620 7.389 3.732 1.00 0.00 C ATOM 665 O ARG A 46 -1.095 8.489 3.466 1.00 0.00 O ATOM 666 CB ARG A 46 -1.889 6.693 5.840 1.00 0.00 C ATOM 667 CG ARG A 46 -1.014 6.130 6.976 1.00 0.00 C ATOM 668 CD ARG A 46 0.480 6.460 6.921 1.00 0.00 C ATOM 669 NE ARG A 46 0.723 7.909 6.988 1.00 0.00 N ATOM 670 CZ ARG A 46 1.012 8.605 8.096 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.154 8.013 9.276 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.169 9.916 8.017 1.00 0.00 N ATOM 0 H ARG A 46 -0.083 4.886 4.893 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.425 6.317 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.894 7.780 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.912 6.356 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.409 6.497 7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.123 5.045 6.984 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.992 5.967 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.906 6.062 6.000 1.00 0.00 H new ATOM 0 HE ARG A 46 0.667 8.431 6.113 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.043 7.002 9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.374 8.569 10.102 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.070 10.388 7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.389 10.455 8.855 1.00 0.00 H new ATOM 686 N THR A 47 0.656 7.100 3.492 1.00 0.00 N ATOM 687 CA THR A 47 1.563 8.022 2.839 1.00 0.00 C ATOM 688 C THR A 47 2.749 7.250 2.290 1.00 0.00 C ATOM 689 O THR A 47 3.098 6.178 2.801 1.00 0.00 O ATOM 690 CB THR A 47 1.993 9.151 3.791 1.00 0.00 C ATOM 691 OG1 THR A 47 2.607 10.190 3.055 1.00 0.00 O ATOM 692 CG2 THR A 47 2.970 8.652 4.859 1.00 0.00 C ATOM 0 H THR A 47 1.087 6.212 3.749 1.00 0.00 H new ATOM 0 HA THR A 47 1.052 8.505 2.007 1.00 0.00 H new ATOM 0 HB THR A 47 1.097 9.518 4.291 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.878 10.907 3.665 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.250 9.479 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.495 7.869 5.450 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.862 8.252 4.377 1.00 0.00 H new ATOM 700 N ILE A 48 3.372 7.824 1.265 1.00 0.00 N ATOM 701 CA ILE A 48 4.549 7.264 0.639 1.00 0.00 C ATOM 702 C ILE A 48 5.705 7.332 1.637 1.00 0.00 C ATOM 703 O ILE A 48 6.579 6.479 1.586 1.00 0.00 O ATOM 704 CB ILE A 48 4.884 8.013 -0.668 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.207 7.476 -1.253 1.00 0.00 C ATOM 706 CG2 ILE A 48 4.897 9.548 -0.514 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.444 7.974 -2.680 1.00 0.00 C ATOM 0 H ILE A 48 3.064 8.702 0.846 1.00 0.00 H new ATOM 0 HA ILE A 48 4.368 6.224 0.368 1.00 0.00 H new ATOM 0 HB ILE A 48 4.078 7.812 -1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.037 7.786 -0.618 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.191 6.386 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.140 10.008 -1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.915 9.889 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.646 9.833 0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.386 7.573 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.628 7.642 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.487 9.063 -2.683 1.00 0.00 H new ATOM 719 N ASP A 49 5.721 8.309 2.546 1.00 0.00 N ATOM 720 CA ASP A 49 6.791 8.459 3.528 1.00 0.00 C ATOM 721 C ASP A 49 6.886 7.249 4.457 1.00 0.00 C ATOM 722 O ASP A 49 7.974 6.818 4.821 1.00 0.00 O ATOM 723 CB ASP A 49 6.605 9.755 4.319 1.00 0.00 C ATOM 724 CG ASP A 49 7.757 9.976 5.294 1.00 0.00 C ATOM 725 OD1 ASP A 49 8.934 9.828 4.893 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.473 10.347 6.459 1.00 0.00 O ATOM 0 H ASP A 49 4.991 9.018 2.620 1.00 0.00 H new ATOM 0 HA ASP A 49 7.736 8.515 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.541 10.598 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.663 9.718 4.867 1.00 0.00 H new ATOM 731 N GLU A 50 5.744 6.672 4.832 1.00 0.00 N ATOM 732 CA GLU A 50 5.685 5.528 5.716 1.00 0.00 C ATOM 733 C GLU A 50 5.913 4.264 4.912 1.00 0.00 C ATOM 734 O GLU A 50 6.584 3.354 5.392 1.00 0.00 O ATOM 735 CB GLU A 50 4.320 5.482 6.411 1.00 0.00 C ATOM 736 CG GLU A 50 4.223 6.510 7.550 1.00 0.00 C ATOM 737 CD GLU A 50 5.212 6.206 8.676 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.086 5.105 9.270 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.148 7.004 8.902 1.00 0.00 O ATOM 0 H GLU A 50 4.828 6.996 4.522 1.00 0.00 H new ATOM 0 HA GLU A 50 6.460 5.609 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.534 5.674 5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.148 4.482 6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.416 7.508 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.209 6.516 7.949 1.00 0.00 H new ATOM 746 N CYS A 51 5.359 4.214 3.701 1.00 0.00 N ATOM 747 CA CYS A 51 5.492 3.080 2.813 1.00 0.00 C ATOM 748 C CYS A 51 6.947 2.879 2.392 1.00 0.00 C ATOM 749 O CYS A 51 7.453 1.756 2.377 1.00 0.00 O ATOM 750 CB CYS A 51 4.606 3.330 1.594 1.00 0.00 C ATOM 751 SG CYS A 51 4.706 2.092 0.299 1.00 0.00 S ATOM 0 H CYS A 51 4.800 4.974 3.313 1.00 0.00 H new ATOM 0 HA CYS A 51 5.180 2.170 3.325 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.571 3.399 1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.869 4.298 1.168 1.00 0.00 H new ATOM 756 N ASN A 52 7.626 3.972 2.040 1.00 0.00 N ATOM 757 CA ASN A 52 9.002 3.917 1.606 1.00 0.00 C ATOM 758 C ASN A 52 9.885 3.579 2.789 1.00 0.00 C ATOM 759 O ASN A 52 10.545 2.547 2.756 1.00 0.00 O ATOM 760 CB ASN A 52 9.429 5.147 0.781 1.00 0.00 C ATOM 761 CG ASN A 52 10.001 6.327 1.546 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.071 6.255 2.135 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.314 7.446 1.501 1.00 0.00 N ATOM 0 H ASN A 52 7.230 4.912 2.051 1.00 0.00 H new ATOM 0 HA ASN A 52 9.125 3.109 0.885 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.172 4.824 0.052 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.562 5.496 0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.670 8.282 1.964 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.424 7.479 1.003 1.00 0.00 H new ATOM 770 N ARG A 53 9.786 4.317 3.893 1.00 0.00 N ATOM 771 CA ARG A 53 10.646 4.020 5.042 1.00 0.00 C ATOM 772 C ARG A 53 10.528 2.584 5.572 1.00 0.00 C ATOM 773 O ARG A 53 11.498 2.053 6.118 1.00 0.00 O ATOM 774 CB ARG A 53 10.437 5.058 6.153 1.00 0.00 C ATOM 775 CG ARG A 53 9.247 4.729 7.057 1.00 0.00 C ATOM 776 CD ARG A 53 8.850 5.883 7.962 1.00 0.00 C ATOM 777 NE ARG A 53 9.944 6.312 8.830 1.00 0.00 N ATOM 778 CZ ARG A 53 9.826 7.232 9.782 1.00 0.00 C ATOM 779 NH1 ARG A 53 8.637 7.761 10.069 1.00 0.00 N ATOM 780 NH2 ARG A 53 10.914 7.606 10.442 1.00 0.00 N ATOM 0 H ARG A 53 9.143 5.099 4.018 1.00 0.00 H new ATOM 0 HA ARG A 53 11.670 4.092 4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.341 5.122 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.285 6.039 5.703 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.394 4.450 6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.493 3.862 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.523 6.724 7.351 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.999 5.585 8.575 1.00 0.00 H new ATOM 0 HE ARG A 53 10.857 5.878 8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.808 7.460 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.556 8.466 10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.817 7.189 10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.848 8.310 11.177 1.00 0.00 H new ATOM 794 N THR A 54 9.367 1.941 5.429 1.00 0.00 N ATOM 795 CA THR A 54 9.162 0.587 5.923 1.00 0.00 C ATOM 796 C THR A 54 9.400 -0.507 4.876 1.00 0.00 C ATOM 797 O THR A 54 9.499 -1.659 5.302 1.00 0.00 O ATOM 798 CB THR A 54 7.779 0.514 6.590 1.00 0.00 C ATOM 799 OG1 THR A 54 7.701 -0.562 7.503 1.00 0.00 O ATOM 800 CG2 THR A 54 6.622 0.394 5.602 1.00 0.00 C ATOM 0 H THR A 54 8.551 2.345 4.970 1.00 0.00 H new ATOM 0 HA THR A 54 9.927 0.373 6.669 1.00 0.00 H new ATOM 0 HB THR A 54 7.675 1.465 7.112 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.203 -1.326 7.151 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.680 0.348 6.149 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.616 1.261 4.942 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.742 -0.513 5.009 1.00 0.00 H new ATOM 808 N CYS A 55 9.496 -0.205 3.569 1.00 0.00 N ATOM 809 CA CYS A 55 9.699 -1.233 2.543 1.00 0.00 C ATOM 810 C CYS A 55 10.664 -0.865 1.412 1.00 0.00 C ATOM 811 O CYS A 55 11.224 -1.763 0.789 1.00 0.00 O ATOM 812 CB CYS A 55 8.351 -1.628 1.922 1.00 0.00 C ATOM 813 SG CYS A 55 7.053 -2.134 3.069 1.00 0.00 S ATOM 0 H CYS A 55 9.436 0.745 3.202 1.00 0.00 H new ATOM 0 HA CYS A 55 10.166 -2.060 3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.982 -0.783 1.341 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.524 -2.445 1.221 1.00 0.00 H new ATOM 818 N VAL A 56 10.813 0.407 1.064 1.00 0.00 N ATOM 819 CA VAL A 56 11.728 0.836 0.006 1.00 0.00 C ATOM 820 C VAL A 56 13.162 0.640 0.503 1.00 0.00 C ATOM 821 O VAL A 56 13.641 1.362 1.378 1.00 0.00 O ATOM 822 CB VAL A 56 11.400 2.259 -0.467 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.466 2.923 -1.342 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.094 2.194 -1.278 1.00 0.00 C ATOM 0 H VAL A 56 10.304 1.173 1.506 1.00 0.00 H new ATOM 0 HA VAL A 56 11.609 0.224 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 56 11.330 2.869 0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.136 3.924 -1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.402 2.991 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.621 2.328 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.834 3.193 -1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.230 1.533 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.292 1.811 -0.647 1.00 0.00 H new ATOM 834 N GLY A 57 13.812 -0.390 -0.038 1.00 0.00 N ATOM 835 CA GLY A 57 15.169 -0.799 0.258 1.00 0.00 C ATOM 836 C GLY A 57 16.185 0.249 -0.150 1.00 0.00 C ATOM 837 O GLY A 57 16.087 0.776 -1.284 1.00 0.00 O ATOM 0 H GLY A 57 13.372 -0.991 -0.735 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.262 -0.997 1.326 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.386 -1.734 -0.259 1.00 0.00 H new