USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 639 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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 23 CYS SG : rot 180:sc= -1.8 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 11 CYS SG : rot -160:sc= -0.259 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 46:sc= -0.229 USER MOD Single : A 20 SER OG : rot 39:sc= 0.805 USER MOD Single : A 25 GLN : amide:sc= -0.0843 K(o=-0.084,f=-3.4!) USER MOD Single : A 27 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.56) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 41 TYR OH : rot 70:sc= -2.59! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 140:sc= -1.92 (180deg=-3.89!) USER MOD Single : A 53 GLN : amide:sc= -0.135 K(o=-0.13,f=-2!) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.9 USER MOD Single : A 62 SER OG : rot 35:sc= 0.0552 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.493 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 110:sc= 0.937 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 76 CYS SG : rot 9:sc= 0.377 USER MOD Single : A 79 GLN :FLIP amide:sc= -5.12! C(o=-5.9!,f=-5.1!) USER MOD Single : A 82 SER OG : rot 12:sc= 1.03 USER MOD Single : A 90 SER OG : rot 100:sc= -0.0187 USER MOD Single : A 95 CYS SG : rot 180:sc= -0.626 USER MOD Single : A 97 THR OG1 : rot -173:sc= 1.86 USER MOD Single : A 100 SER OG : rot 170:sc= -0.054 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.535 -13.045 1.320 1.00 0.00 N ATOM 67 CA PRO A 8 -10.492 -13.444 0.371 1.00 0.00 C ATOM 68 C PRO A 8 -9.199 -13.855 1.068 1.00 0.00 C ATOM 69 O PRO A 8 -9.107 -13.823 2.295 1.00 0.00 O ATOM 70 CB PRO A 8 -10.270 -12.181 -0.465 1.00 0.00 C ATOM 71 CG PRO A 8 -10.690 -11.061 0.423 1.00 0.00 C ATOM 72 CD PRO A 8 -11.811 -11.599 1.268 1.00 0.00 C ATOM 0 HA PRO A 8 -10.787 -14.314 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.226 -12.081 -0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.861 -12.203 -1.381 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.860 -10.724 1.044 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.020 -10.202 -0.162 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.813 -11.154 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.784 -11.391 0.824 1.00 0.00 H new ATOM 80 N ASP A 9 -8.202 -14.238 0.278 1.00 0.00 N ATOM 81 CA ASP A 9 -6.914 -14.653 0.820 1.00 0.00 C ATOM 82 C ASP A 9 -6.032 -13.443 1.113 1.00 0.00 C ATOM 83 O ASP A 9 -6.220 -12.373 0.535 1.00 0.00 O ATOM 84 CB ASP A 9 -6.205 -15.593 -0.157 1.00 0.00 C ATOM 85 CG ASP A 9 -5.046 -16.330 0.486 1.00 0.00 C ATOM 86 OD1 ASP A 9 -5.215 -16.823 1.621 1.00 0.00 O ATOM 87 OD2 ASP A 9 -3.972 -16.413 -0.145 1.00 0.00 O ATOM 0 H ASP A 9 -8.261 -14.270 -0.740 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.095 -15.183 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.922 -16.317 -0.545 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.839 -15.019 -1.008 1.00 0.00 H new ATOM 92 N GLN A 10 -5.072 -13.621 2.013 1.00 0.00 N ATOM 93 CA GLN A 10 -4.162 -12.543 2.384 1.00 0.00 C ATOM 94 C GLN A 10 -3.685 -11.785 1.149 1.00 0.00 C ATOM 95 O GLN A 10 -3.500 -12.371 0.082 1.00 0.00 O ATOM 96 CB GLN A 10 -2.962 -13.101 3.149 1.00 0.00 C ATOM 97 CG GLN A 10 -2.110 -12.028 3.811 1.00 0.00 C ATOM 98 CD GLN A 10 -0.716 -12.516 4.148 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.532 -13.650 4.590 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.278 -11.659 3.941 1.00 0.00 N ATOM 0 H GLN A 10 -4.903 -14.501 2.500 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.703 -11.849 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.318 -13.793 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.340 -13.676 2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.039 -11.166 3.148 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.603 -11.689 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.081 -10.728 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.238 -11.932 4.150 1.00 0.00 H new ATOM 109 N CYS A 11 -3.491 -10.480 1.302 1.00 0.00 N ATOM 110 CA CYS A 11 -3.037 -9.641 0.198 1.00 0.00 C ATOM 111 C CYS A 11 -1.515 -9.647 0.100 1.00 0.00 C ATOM 112 O CYS A 11 -0.817 -9.728 1.111 1.00 0.00 O ATOM 113 CB CYS A 11 -3.542 -8.208 0.378 1.00 0.00 C ATOM 114 SG CYS A 11 -5.210 -7.928 -0.262 1.00 0.00 S ATOM 0 H CYS A 11 -3.641 -9.980 2.178 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.444 -10.049 -0.727 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.525 -7.959 1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.854 -7.526 -0.121 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.392 -6.656 -0.456 1.00 0.00 H new ATOM 120 N LYS A 12 -1.006 -9.565 -1.125 1.00 0.00 N ATOM 121 CA LYS A 12 0.433 -9.562 -1.356 1.00 0.00 C ATOM 122 C LYS A 12 1.002 -8.151 -1.233 1.00 0.00 C ATOM 123 O LYS A 12 0.316 -7.158 -1.473 1.00 0.00 O ATOM 124 CB LYS A 12 0.749 -10.131 -2.741 1.00 0.00 C ATOM 125 CG LYS A 12 0.820 -11.649 -2.774 1.00 0.00 C ATOM 126 CD LYS A 12 2.114 -12.160 -2.165 1.00 0.00 C ATOM 127 CE LYS A 12 2.160 -13.679 -2.147 1.00 0.00 C ATOM 128 NZ LYS A 12 2.516 -14.240 -3.479 1.00 0.00 N ATOM 0 H LYS A 12 -1.569 -9.500 -1.973 1.00 0.00 H new ATOM 0 HA LYS A 12 0.898 -10.190 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.013 -9.796 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.700 -9.724 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.028 -12.066 -2.231 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.740 -11.996 -3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.961 -11.776 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.214 -11.780 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.888 -14.011 -1.407 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.190 -14.068 -1.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.537 -15.278 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.808 -13.944 -4.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.453 -13.890 -3.764 1.00 0.00 H new ATOM 142 N PRO A 13 2.285 -8.060 -0.853 1.00 0.00 N ATOM 143 CA PRO A 13 2.974 -6.777 -0.692 1.00 0.00 C ATOM 144 C PRO A 13 3.217 -6.078 -2.026 1.00 0.00 C ATOM 145 O PRO A 13 3.752 -6.660 -2.970 1.00 0.00 O ATOM 146 CB PRO A 13 4.304 -7.167 -0.042 1.00 0.00 C ATOM 147 CG PRO A 13 4.527 -8.580 -0.455 1.00 0.00 C ATOM 148 CD PRO A 13 3.162 -9.204 -0.552 1.00 0.00 C ATOM 0 HA PRO A 13 2.388 -6.071 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.115 -6.523 -0.382 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.257 -7.074 1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.047 -8.629 -1.411 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.146 -9.106 0.272 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.120 -9.960 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.877 -9.695 0.379 1.00 0.00 H new ATOM 156 N PRO A 14 2.816 -4.801 -2.108 1.00 0.00 N ATOM 157 CA PRO A 14 2.981 -3.996 -3.322 1.00 0.00 C ATOM 158 C PRO A 14 4.442 -3.657 -3.598 1.00 0.00 C ATOM 159 O PRO A 14 5.323 -3.968 -2.796 1.00 0.00 O ATOM 160 CB PRO A 14 2.187 -2.724 -3.014 1.00 0.00 C ATOM 161 CG PRO A 14 2.184 -2.628 -1.528 1.00 0.00 C ATOM 162 CD PRO A 14 2.170 -4.044 -1.022 1.00 0.00 C ATOM 0 HA PRO A 14 2.638 -4.525 -4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.652 -1.848 -3.466 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.173 -2.786 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.064 -2.094 -1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.312 -2.078 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.717 -4.141 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.155 -4.394 -0.837 1.00 0.00 H new ATOM 170 N GLN A 15 4.692 -3.018 -4.736 1.00 0.00 N ATOM 171 CA GLN A 15 6.047 -2.637 -5.117 1.00 0.00 C ATOM 172 C GLN A 15 6.254 -1.134 -4.966 1.00 0.00 C ATOM 173 O GLN A 15 5.599 -0.337 -5.639 1.00 0.00 O ATOM 174 CB GLN A 15 6.332 -3.061 -6.559 1.00 0.00 C ATOM 175 CG GLN A 15 7.658 -2.546 -7.093 1.00 0.00 C ATOM 176 CD GLN A 15 8.851 -3.198 -6.423 1.00 0.00 C ATOM 177 OE1 GLN A 15 8.771 -4.335 -5.957 1.00 0.00 O ATOM 178 NE2 GLN A 15 9.967 -2.481 -6.372 1.00 0.00 N ATOM 0 H GLN A 15 3.974 -2.753 -5.410 1.00 0.00 H new ATOM 0 HA GLN A 15 6.742 -3.149 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.324 -4.149 -6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.527 -2.702 -7.200 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.707 -2.725 -8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.709 -1.467 -6.947 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.989 -1.543 -6.771 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.803 -2.869 -5.934 1.00 0.00 H new ATOM 187 N VAL A 16 7.167 -0.753 -4.078 1.00 0.00 N ATOM 188 CA VAL A 16 7.459 0.655 -3.839 1.00 0.00 C ATOM 189 C VAL A 16 8.612 1.133 -4.717 1.00 0.00 C ATOM 190 O VAL A 16 9.553 0.387 -4.987 1.00 0.00 O ATOM 191 CB VAL A 16 7.813 0.912 -2.362 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.583 0.749 -1.483 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.928 -0.020 -1.912 1.00 0.00 C ATOM 0 H VAL A 16 7.717 -1.400 -3.513 1.00 0.00 H new ATOM 0 HA VAL A 16 6.557 1.213 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 16 8.167 1.938 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.852 0.934 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.818 1.461 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.196 -0.265 -1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.166 0.175 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.604 -1.055 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.814 0.151 -2.523 1.00 0.00 H new ATOM 203 N THR A 17 8.531 2.384 -5.160 1.00 0.00 N ATOM 204 CA THR A 17 9.566 2.962 -6.007 1.00 0.00 C ATOM 205 C THR A 17 9.833 4.417 -5.634 1.00 0.00 C ATOM 206 O THR A 17 8.958 5.272 -5.767 1.00 0.00 O ATOM 207 CB THR A 17 9.178 2.890 -7.497 1.00 0.00 C ATOM 208 OG1 THR A 17 9.019 1.524 -7.895 1.00 0.00 O ATOM 209 CG2 THR A 17 10.235 3.558 -8.364 1.00 0.00 C ATOM 0 H THR A 17 7.759 3.016 -4.946 1.00 0.00 H new ATOM 0 HA THR A 17 10.470 2.376 -5.845 1.00 0.00 H new ATOM 0 HB THR A 17 8.235 3.419 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.771 1.486 -8.842 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.940 3.495 -9.411 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.333 4.605 -8.077 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.191 3.053 -8.226 1.00 0.00 H new ATOM 217 N CYS A 18 11.047 4.689 -5.167 1.00 0.00 N ATOM 218 CA CYS A 18 11.429 6.040 -4.774 1.00 0.00 C ATOM 219 C CYS A 18 11.582 6.938 -5.996 1.00 0.00 C ATOM 220 O CYS A 18 12.694 7.181 -6.465 1.00 0.00 O ATOM 221 CB CYS A 18 12.736 6.012 -3.980 1.00 0.00 C ATOM 222 SG CYS A 18 14.119 5.251 -4.862 1.00 0.00 S ATOM 0 H CYS A 18 11.783 3.992 -5.052 1.00 0.00 H new ATOM 0 HA CYS A 18 10.638 6.446 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 18 13.008 7.033 -3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.571 5.471 -3.048 1.00 0.00 H new ATOM 0 HG CYS A 18 14.162 5.708 -6.078 1.00 0.00 H new ATOM 228 N ARG A 19 10.458 7.429 -6.507 1.00 0.00 N ATOM 229 CA ARG A 19 10.466 8.298 -7.678 1.00 0.00 C ATOM 230 C ARG A 19 11.524 9.389 -7.536 1.00 0.00 C ATOM 231 O ARG A 19 12.235 9.707 -8.491 1.00 0.00 O ATOM 232 CB ARG A 19 9.088 8.934 -7.878 1.00 0.00 C ATOM 233 CG ARG A 19 8.043 7.964 -8.406 1.00 0.00 C ATOM 234 CD ARG A 19 8.023 7.938 -9.926 1.00 0.00 C ATOM 235 NE ARG A 19 9.061 7.068 -10.472 1.00 0.00 N ATOM 236 CZ ARG A 19 9.544 7.184 -11.704 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.087 8.131 -12.513 1.00 0.00 N ATOM 238 NH2 ARG A 19 10.488 6.354 -12.128 1.00 0.00 N ATOM 0 H ARG A 19 9.530 7.240 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 19 10.708 7.690 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.745 9.344 -6.928 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.180 9.770 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.250 6.963 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.059 8.249 -8.033 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.046 7.597 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.160 8.950 -10.308 1.00 0.00 H new ATOM 0 HE ARG A 19 9.436 6.331 -9.875 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.363 8.772 -12.189 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.460 8.218 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.843 5.626 -11.508 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.858 6.444 -13.074 1.00 0.00 H new ATOM 252 N SER A 20 11.623 9.959 -6.340 1.00 0.00 N ATOM 253 CA SER A 20 12.591 11.018 -6.075 1.00 0.00 C ATOM 254 C SER A 20 12.788 11.210 -4.574 1.00 0.00 C ATOM 255 O SER A 20 12.241 10.463 -3.764 1.00 0.00 O ATOM 256 CB SER A 20 12.132 12.329 -6.714 1.00 0.00 C ATOM 257 OG SER A 20 12.627 12.452 -8.036 1.00 0.00 O ATOM 0 H SER A 20 11.045 9.706 -5.539 1.00 0.00 H new ATOM 0 HA SER A 20 13.544 10.724 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.043 12.370 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.477 13.171 -6.113 1.00 0.00 H new ATOM 0 HG SER A 20 12.593 11.579 -8.480 1.00 0.00 H new ATOM 263 N ALA A 21 13.573 12.220 -4.212 1.00 0.00 N ATOM 264 CA ALA A 21 13.840 12.514 -2.809 1.00 0.00 C ATOM 265 C ALA A 21 12.545 12.624 -2.014 1.00 0.00 C ATOM 266 O ALA A 21 12.405 12.026 -0.946 1.00 0.00 O ATOM 267 CB ALA A 21 14.650 13.797 -2.684 1.00 0.00 C ATOM 0 H ALA A 21 14.035 12.848 -4.870 1.00 0.00 H new ATOM 0 HA ALA A 21 14.420 11.689 -2.395 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.842 14.005 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.598 13.682 -3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.091 14.624 -3.121 1.00 0.00 H new ATOM 273 N THR A 22 11.596 13.392 -2.541 1.00 0.00 N ATOM 274 CA THR A 22 10.311 13.582 -1.880 1.00 0.00 C ATOM 275 C THR A 22 9.171 13.019 -2.720 1.00 0.00 C ATOM 276 O THR A 22 8.060 13.551 -2.713 1.00 0.00 O ATOM 277 CB THR A 22 10.039 15.072 -1.598 1.00 0.00 C ATOM 278 OG1 THR A 22 9.903 15.786 -2.831 1.00 0.00 O ATOM 279 CG2 THR A 22 11.163 15.681 -0.774 1.00 0.00 C ATOM 0 H THR A 22 11.694 13.893 -3.424 1.00 0.00 H new ATOM 0 HA THR A 22 10.361 13.044 -0.933 1.00 0.00 H new ATOM 0 HB THR A 22 9.112 15.149 -1.030 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.729 16.732 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.949 16.733 -0.588 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.244 15.153 0.176 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.103 15.593 -1.319 1.00 0.00 H new ATOM 287 N CYS A 23 9.452 11.940 -3.442 1.00 0.00 N ATOM 288 CA CYS A 23 8.449 11.304 -4.289 1.00 0.00 C ATOM 289 C CYS A 23 8.567 9.785 -4.225 1.00 0.00 C ATOM 290 O CYS A 23 9.669 9.239 -4.191 1.00 0.00 O ATOM 291 CB CYS A 23 8.597 11.779 -5.736 1.00 0.00 C ATOM 292 SG CYS A 23 8.894 13.555 -5.903 1.00 0.00 S ATOM 0 H CYS A 23 10.366 11.487 -3.458 1.00 0.00 H new ATOM 0 HA CYS A 23 7.464 11.589 -3.920 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.421 11.238 -6.202 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.693 11.519 -6.287 1.00 0.00 H new ATOM 0 HG CYS A 23 9.007 13.860 -7.162 1.00 0.00 H new ATOM 298 N ALA A 24 7.423 9.107 -4.208 1.00 0.00 N ATOM 299 CA ALA A 24 7.398 7.651 -4.148 1.00 0.00 C ATOM 300 C ALA A 24 6.180 7.093 -4.874 1.00 0.00 C ATOM 301 O ALA A 24 5.189 7.796 -5.073 1.00 0.00 O ATOM 302 CB ALA A 24 7.413 7.183 -2.700 1.00 0.00 C ATOM 0 H ALA A 24 6.502 9.544 -4.235 1.00 0.00 H new ATOM 0 HA ALA A 24 8.290 7.275 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.394 6.094 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.317 7.544 -2.210 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.538 7.576 -2.182 1.00 0.00 H new ATOM 308 N GLN A 25 6.260 5.826 -5.268 1.00 0.00 N ATOM 309 CA GLN A 25 5.163 5.175 -5.974 1.00 0.00 C ATOM 310 C GLN A 25 4.879 3.797 -5.385 1.00 0.00 C ATOM 311 O GLN A 25 5.784 3.123 -4.893 1.00 0.00 O ATOM 312 CB GLN A 25 5.489 5.049 -7.462 1.00 0.00 C ATOM 313 CG GLN A 25 4.417 4.326 -8.263 1.00 0.00 C ATOM 314 CD GLN A 25 3.268 5.236 -8.650 1.00 0.00 C ATOM 315 OE1 GLN A 25 3.457 6.428 -8.892 1.00 0.00 O ATOM 316 NE2 GLN A 25 2.065 4.675 -8.713 1.00 0.00 N ATOM 0 H GLN A 25 7.073 5.230 -5.110 1.00 0.00 H new ATOM 0 HA GLN A 25 4.272 5.792 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.632 6.046 -7.879 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.434 4.518 -7.574 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.863 3.906 -9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.033 3.490 -7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.953 3.683 -8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.253 5.237 -8.970 1.00 0.00 H new ATOM 325 N VAL A 26 3.617 3.383 -5.441 1.00 0.00 N ATOM 326 CA VAL A 26 3.214 2.085 -4.914 1.00 0.00 C ATOM 327 C VAL A 26 2.369 1.319 -5.926 1.00 0.00 C ATOM 328 O VAL A 26 1.661 1.917 -6.736 1.00 0.00 O ATOM 329 CB VAL A 26 2.417 2.234 -3.603 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.162 0.871 -2.977 1.00 0.00 C ATOM 331 CG2 VAL A 26 3.151 3.147 -2.634 1.00 0.00 C ATOM 0 H VAL A 26 2.856 3.928 -5.846 1.00 0.00 H new ATOM 0 HA VAL A 26 4.129 1.527 -4.713 1.00 0.00 H new ATOM 0 HB VAL A 26 1.453 2.688 -3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.598 0.995 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.591 0.253 -3.670 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.114 0.387 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.574 3.241 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.130 2.725 -2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.276 4.131 -3.085 1.00 0.00 H new ATOM 341 N ASN A 27 2.448 -0.005 -5.872 1.00 0.00 N ATOM 342 CA ASN A 27 1.691 -0.854 -6.785 1.00 0.00 C ATOM 343 C ASN A 27 1.326 -2.178 -6.121 1.00 0.00 C ATOM 344 O ASN A 27 2.201 -2.972 -5.776 1.00 0.00 O ATOM 345 CB ASN A 27 2.496 -1.115 -8.059 1.00 0.00 C ATOM 346 CG ASN A 27 3.196 0.132 -8.567 1.00 0.00 C ATOM 347 OD1 ASN A 27 4.292 0.466 -8.120 1.00 0.00 O ATOM 348 ND2 ASN A 27 2.562 0.826 -9.505 1.00 0.00 N ATOM 0 H ASN A 27 3.028 -0.514 -5.206 1.00 0.00 H new ATOM 0 HA ASN A 27 0.770 -0.332 -7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.237 -1.891 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.831 -1.496 -8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.983 1.674 -9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.654 0.511 -9.846 1.00 0.00 H new ATOM 355 N TRP A 28 0.030 -2.409 -5.946 1.00 0.00 N ATOM 356 CA TRP A 28 -0.451 -3.638 -5.325 1.00 0.00 C ATOM 357 C TRP A 28 -1.169 -4.518 -6.341 1.00 0.00 C ATOM 358 O TRP A 28 -1.259 -4.173 -7.518 1.00 0.00 O ATOM 359 CB TRP A 28 -1.388 -3.312 -4.160 1.00 0.00 C ATOM 360 CG TRP A 28 -2.543 -2.442 -4.554 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.756 -2.854 -5.026 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.592 -1.011 -4.511 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.557 -1.767 -5.279 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.867 -0.624 -4.970 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.685 -0.020 -4.126 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.253 0.710 -5.057 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -2.070 1.305 -4.213 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.345 1.660 -4.674 1.00 0.00 C ATOM 0 H TRP A 28 -0.707 -1.761 -6.225 1.00 0.00 H new ATOM 0 HA TRP A 28 0.412 -4.185 -4.946 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.770 -4.242 -3.739 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.820 -2.815 -3.374 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -4.044 -3.884 -5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.511 -1.805 -5.639 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.701 -0.284 -3.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.234 0.986 -5.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.376 2.080 -3.921 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.617 2.704 -4.728 1.00 0.00 H new ATOM 379 N GLU A 29 -1.680 -5.654 -5.877 1.00 0.00 N ATOM 380 CA GLU A 29 -2.391 -6.583 -6.748 1.00 0.00 C ATOM 381 C GLU A 29 -3.459 -7.348 -5.972 1.00 0.00 C ATOM 382 O GLU A 29 -3.387 -7.467 -4.748 1.00 0.00 O ATOM 383 CB GLU A 29 -1.411 -7.565 -7.393 1.00 0.00 C ATOM 384 CG GLU A 29 -0.796 -7.052 -8.684 1.00 0.00 C ATOM 385 CD GLU A 29 -1.756 -7.122 -9.855 1.00 0.00 C ATOM 386 OE1 GLU A 29 -2.378 -8.187 -10.049 1.00 0.00 O ATOM 387 OE2 GLU A 29 -1.887 -6.112 -10.577 1.00 0.00 O ATOM 0 H GLU A 29 -1.615 -5.953 -4.904 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.881 -6.004 -7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.614 -7.788 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.929 -8.502 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.474 -6.020 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.095 -7.635 -8.914 1.00 0.00 H new ATOM 394 N VAL A 30 -4.449 -7.866 -6.692 1.00 0.00 N ATOM 395 CA VAL A 30 -5.531 -8.620 -6.072 1.00 0.00 C ATOM 396 C VAL A 30 -5.135 -10.077 -5.862 1.00 0.00 C ATOM 397 O VAL A 30 -4.520 -10.710 -6.720 1.00 0.00 O ATOM 398 CB VAL A 30 -6.813 -8.566 -6.925 1.00 0.00 C ATOM 399 CG1 VAL A 30 -7.931 -9.355 -6.259 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.235 -7.125 -7.162 1.00 0.00 C ATOM 0 H VAL A 30 -4.524 -7.777 -7.705 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.727 -8.156 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.604 -9.023 -7.892 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.828 -9.306 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.625 -10.395 -6.146 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.141 -8.930 -5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.142 -7.106 -7.766 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.426 -6.640 -6.205 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.440 -6.594 -7.685 1.00 0.00 H new ATOM 410 N PRO A 31 -5.495 -10.624 -4.690 1.00 0.00 N ATOM 411 CA PRO A 31 -5.189 -12.014 -4.340 1.00 0.00 C ATOM 412 C PRO A 31 -5.993 -13.013 -5.165 1.00 0.00 C ATOM 413 O PRO A 31 -6.812 -12.626 -6.000 1.00 0.00 O ATOM 414 CB PRO A 31 -5.583 -12.102 -2.863 1.00 0.00 C ATOM 415 CG PRO A 31 -6.611 -11.041 -2.682 1.00 0.00 C ATOM 416 CD PRO A 31 -6.230 -9.930 -3.621 1.00 0.00 C ATOM 0 HA PRO A 31 -4.145 -12.262 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.982 -13.086 -2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.724 -11.936 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.607 -11.420 -2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.632 -10.690 -1.650 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.108 -9.412 -4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.610 -9.182 -3.127 1.00 0.00 H new ATOM 424 N LEU A 32 -5.755 -14.297 -4.929 1.00 0.00 N ATOM 425 CA LEU A 32 -6.457 -15.352 -5.651 1.00 0.00 C ATOM 426 C LEU A 32 -7.798 -15.661 -4.993 1.00 0.00 C ATOM 427 O LEU A 32 -7.963 -16.702 -4.356 1.00 0.00 O ATOM 428 CB LEU A 32 -5.600 -16.618 -5.707 1.00 0.00 C ATOM 429 CG LEU A 32 -6.238 -17.829 -6.388 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.407 -17.576 -7.878 1.00 0.00 C ATOM 431 CD2 LEU A 32 -5.398 -19.076 -6.151 1.00 0.00 C ATOM 0 H LEU A 32 -5.080 -14.634 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.642 -15.002 -6.666 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.671 -16.382 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.333 -16.898 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.224 -17.989 -5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.863 -18.449 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.048 -16.707 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.432 -17.390 -8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.866 -19.929 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.399 -18.925 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.326 -19.268 -5.081 1.00 0.00 H new ATOM 501 N VAL A 38 -13.396 -7.776 -4.328 1.00 0.00 N ATOM 502 CA VAL A 38 -12.914 -6.704 -3.466 1.00 0.00 C ATOM 503 C VAL A 38 -13.720 -5.426 -3.674 1.00 0.00 C ATOM 504 O VAL A 38 -13.703 -4.837 -4.755 1.00 0.00 O ATOM 505 CB VAL A 38 -11.425 -6.406 -3.720 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.940 -5.289 -2.808 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.590 -7.663 -3.529 1.00 0.00 C ATOM 0 HA VAL A 38 -13.038 -7.045 -2.438 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.310 -6.075 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.886 -5.093 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.519 -4.385 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.068 -5.587 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.540 -7.434 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.709 -8.027 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.922 -8.430 -4.229 1.00 0.00 H new ATOM 517 N THR A 39 -14.426 -5.001 -2.631 1.00 0.00 N ATOM 518 CA THR A 39 -15.239 -3.794 -2.699 1.00 0.00 C ATOM 519 C THR A 39 -14.368 -2.553 -2.858 1.00 0.00 C ATOM 520 O THR A 39 -14.580 -1.747 -3.764 1.00 0.00 O ATOM 521 CB THR A 39 -16.115 -3.634 -1.442 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.333 -3.868 -0.266 1.00 0.00 O ATOM 523 CG2 THR A 39 -17.290 -4.600 -1.475 1.00 0.00 C ATOM 0 H THR A 39 -14.451 -5.476 -1.728 1.00 0.00 H new ATOM 0 HA THR A 39 -15.884 -3.897 -3.572 1.00 0.00 H new ATOM 0 HB THR A 39 -16.502 -2.615 -1.424 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.897 -3.763 0.528 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.894 -4.469 -0.577 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.900 -4.401 -2.356 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.918 -5.624 -1.516 1.00 0.00 H new ATOM 531 N GLU A 40 -13.389 -2.405 -1.972 1.00 0.00 N ATOM 532 CA GLU A 40 -12.486 -1.261 -2.015 1.00 0.00 C ATOM 533 C GLU A 40 -11.121 -1.623 -1.439 1.00 0.00 C ATOM 534 O GLU A 40 -10.985 -2.597 -0.697 1.00 0.00 O ATOM 535 CB GLU A 40 -13.082 -0.083 -1.241 1.00 0.00 C ATOM 536 CG GLU A 40 -12.695 -0.061 0.228 1.00 0.00 C ATOM 537 CD GLU A 40 -13.722 0.644 1.092 1.00 0.00 C ATOM 538 OE1 GLU A 40 -13.823 1.885 0.997 1.00 0.00 O ATOM 539 OE2 GLU A 40 -14.424 -0.044 1.862 1.00 0.00 O ATOM 0 H GLU A 40 -13.201 -3.063 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.356 -0.973 -3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.759 0.848 -1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.168 -0.119 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.569 -1.084 0.582 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.731 0.435 0.338 1.00 0.00 H new ATOM 546 N TYR A 41 -10.110 -0.833 -1.785 1.00 0.00 N ATOM 547 CA TYR A 41 -8.754 -1.071 -1.306 1.00 0.00 C ATOM 548 C TYR A 41 -8.280 0.076 -0.419 1.00 0.00 C ATOM 549 O TYR A 41 -8.220 1.227 -0.853 1.00 0.00 O ATOM 550 CB TYR A 41 -7.796 -1.247 -2.486 1.00 0.00 C ATOM 551 CG TYR A 41 -8.160 -2.400 -3.394 1.00 0.00 C ATOM 552 CD1 TYR A 41 -9.367 -2.413 -4.083 1.00 0.00 C ATOM 553 CD2 TYR A 41 -7.298 -3.476 -3.564 1.00 0.00 C ATOM 554 CE1 TYR A 41 -9.705 -3.464 -4.914 1.00 0.00 C ATOM 555 CE2 TYR A 41 -7.626 -4.530 -4.394 1.00 0.00 C ATOM 556 CZ TYR A 41 -8.831 -4.520 -5.067 1.00 0.00 C ATOM 557 OH TYR A 41 -9.162 -5.569 -5.893 1.00 0.00 O ATOM 0 H TYR A 41 -10.205 -0.022 -2.396 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.762 -1.986 -0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.779 -0.327 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.787 -1.401 -2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.053 -1.587 -3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.355 -3.489 -3.038 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.648 -3.459 -5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.943 -5.358 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.141 -5.270 -6.826 1.00 0.00 H new ATOM 567 N ARG A 42 -7.945 -0.247 0.825 1.00 0.00 N ATOM 568 CA ARG A 42 -7.477 0.755 1.775 1.00 0.00 C ATOM 569 C ARG A 42 -5.969 0.645 1.983 1.00 0.00 C ATOM 570 O ARG A 42 -5.485 -0.302 2.605 1.00 0.00 O ATOM 571 CB ARG A 42 -8.200 0.597 3.114 1.00 0.00 C ATOM 572 CG ARG A 42 -9.600 1.188 3.123 1.00 0.00 C ATOM 573 CD ARG A 42 -10.217 1.139 4.512 1.00 0.00 C ATOM 574 NE ARG A 42 -11.677 1.091 4.462 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.447 1.067 5.543 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.903 1.084 6.751 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.768 1.023 5.416 1.00 0.00 N ATOM 0 H ARG A 42 -7.989 -1.195 1.199 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.699 1.740 1.364 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.260 -0.463 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.608 1.074 3.895 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.562 2.221 2.777 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.232 0.640 2.424 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.844 0.264 5.044 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.902 2.015 5.079 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.128 1.075 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.889 1.116 6.853 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.499 1.065 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.191 1.008 4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.360 1.005 6.247 1.00 0.00 H new ATOM 591 N LEU A 43 -5.233 1.619 1.460 1.00 0.00 N ATOM 592 CA LEU A 43 -3.779 1.631 1.587 1.00 0.00 C ATOM 593 C LEU A 43 -3.330 2.686 2.594 1.00 0.00 C ATOM 594 O LEU A 43 -3.541 3.881 2.389 1.00 0.00 O ATOM 595 CB LEU A 43 -3.130 1.898 0.228 1.00 0.00 C ATOM 596 CG LEU A 43 -1.662 2.324 0.256 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.754 1.106 0.315 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.331 3.181 -0.957 1.00 0.00 C ATOM 0 H LEU A 43 -5.618 2.410 0.944 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.462 0.652 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.214 0.994 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.703 2.674 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.494 2.920 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.287 1.429 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.973 0.532 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.924 0.482 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.282 3.475 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.516 2.610 -1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.958 4.073 -0.954 1.00 0.00 H new ATOM 610 N GLU A 44 -2.709 2.235 3.678 1.00 0.00 N ATOM 611 CA GLU A 44 -2.228 3.141 4.715 1.00 0.00 C ATOM 612 C GLU A 44 -0.726 3.376 4.580 1.00 0.00 C ATOM 613 O GLU A 44 0.054 2.430 4.485 1.00 0.00 O ATOM 614 CB GLU A 44 -2.544 2.577 6.102 1.00 0.00 C ATOM 615 CG GLU A 44 -4.000 2.179 6.280 1.00 0.00 C ATOM 616 CD GLU A 44 -4.309 1.715 7.691 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.460 1.021 8.288 1.00 0.00 O ATOM 618 OE2 GLU A 44 -5.401 2.047 8.198 1.00 0.00 O ATOM 0 H GLU A 44 -2.527 1.248 3.862 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.740 4.096 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.913 1.707 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.285 3.321 6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.638 3.028 6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.244 1.382 5.578 1.00 0.00 H new ATOM 625 N TRP A 45 -0.331 4.644 4.571 1.00 0.00 N ATOM 626 CA TRP A 45 1.076 5.005 4.446 1.00 0.00 C ATOM 627 C TRP A 45 1.523 5.869 5.619 1.00 0.00 C ATOM 628 O TRP A 45 0.990 6.955 5.841 1.00 0.00 O ATOM 629 CB TRP A 45 1.320 5.744 3.129 1.00 0.00 C ATOM 630 CG TRP A 45 2.672 6.386 3.050 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.131 7.427 3.807 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.738 6.031 2.164 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.419 7.740 3.443 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.815 6.898 2.439 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.891 5.065 1.167 1.00 0.00 C ATOM 636 CZ2 TRP A 45 6.023 6.825 1.751 1.00 0.00 C ATOM 637 CZ3 TRP A 45 5.091 4.994 0.484 1.00 0.00 C ATOM 638 CH2 TRP A 45 6.144 5.869 0.780 1.00 0.00 C ATOM 0 H TRP A 45 -0.965 5.439 4.649 1.00 0.00 H new ATOM 0 HA TRP A 45 1.662 4.086 4.452 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.210 5.043 2.302 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.554 6.509 3.003 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.565 7.930 4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.988 8.480 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 45 3.085 4.385 0.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.836 7.499 1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.219 4.252 -0.290 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.070 5.787 0.231 1.00 0.00 H new ATOM 649 N GLY A 46 2.506 5.381 6.370 1.00 0.00 N ATOM 650 CA GLY A 46 3.007 6.123 7.511 1.00 0.00 C ATOM 651 C GLY A 46 4.515 6.028 7.648 1.00 0.00 C ATOM 652 O GLY A 46 5.085 4.943 7.560 1.00 0.00 O ATOM 0 H GLY A 46 2.964 4.484 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.719 7.170 7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.538 5.746 8.420 1.00 0.00 H new ATOM 656 N GLY A 47 5.160 7.171 7.861 1.00 0.00 N ATOM 657 CA GLY A 47 6.604 7.191 8.004 1.00 0.00 C ATOM 658 C GLY A 47 7.121 6.033 8.834 1.00 0.00 C ATOM 659 O GLY A 47 8.148 5.435 8.508 1.00 0.00 O ATOM 0 H GLY A 47 4.709 8.083 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.064 7.160 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.907 8.130 8.467 1.00 0.00 H new ATOM 663 N VAL A 48 6.408 5.712 9.910 1.00 0.00 N ATOM 664 CA VAL A 48 6.801 4.617 10.788 1.00 0.00 C ATOM 665 C VAL A 48 5.724 3.539 10.838 1.00 0.00 C ATOM 666 O VAL A 48 4.574 3.813 11.180 1.00 0.00 O ATOM 667 CB VAL A 48 7.078 5.117 12.219 1.00 0.00 C ATOM 668 CG1 VAL A 48 7.083 3.955 13.199 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.395 5.876 12.272 1.00 0.00 C ATOM 0 H VAL A 48 5.556 6.195 10.194 1.00 0.00 H new ATOM 0 HA VAL A 48 7.716 4.193 10.375 1.00 0.00 H new ATOM 0 HB VAL A 48 6.279 5.800 12.508 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.280 4.328 14.204 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.113 3.459 13.180 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.860 3.244 12.917 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.575 6.222 13.290 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.207 5.218 11.964 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.348 6.733 11.600 1.00 0.00 H new ATOM 679 N GLU A 49 6.106 2.313 10.496 1.00 0.00 N ATOM 680 CA GLU A 49 5.171 1.194 10.501 1.00 0.00 C ATOM 681 C GLU A 49 4.361 1.168 11.794 1.00 0.00 C ATOM 682 O GLU A 49 3.214 0.725 11.812 1.00 0.00 O ATOM 683 CB GLU A 49 5.923 -0.128 10.331 1.00 0.00 C ATOM 684 CG GLU A 49 6.715 -0.542 11.560 1.00 0.00 C ATOM 685 CD GLU A 49 7.001 -2.030 11.597 1.00 0.00 C ATOM 686 OE1 GLU A 49 7.996 -2.458 10.976 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.229 -2.766 12.247 1.00 0.00 O ATOM 0 H GLU A 49 7.055 2.069 10.212 1.00 0.00 H new ATOM 0 HA GLU A 49 4.484 1.324 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.208 -0.914 10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.603 -0.043 9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.657 0.006 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.162 -0.260 12.456 1.00 0.00 H new ATOM 694 N GLY A 50 4.969 1.645 12.876 1.00 0.00 N ATOM 695 CA GLY A 50 4.291 1.667 14.160 1.00 0.00 C ATOM 696 C GLY A 50 2.979 2.424 14.109 1.00 0.00 C ATOM 697 O GLY A 50 2.002 2.028 14.746 1.00 0.00 O ATOM 0 H GLY A 50 5.919 2.017 12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.104 0.644 14.487 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.943 2.125 14.904 1.00 0.00 H new ATOM 701 N SER A 51 2.956 3.514 13.350 1.00 0.00 N ATOM 702 CA SER A 51 1.754 4.332 13.223 1.00 0.00 C ATOM 703 C SER A 51 1.461 4.642 11.759 1.00 0.00 C ATOM 704 O SER A 51 2.266 5.271 11.073 1.00 0.00 O ATOM 705 CB SER A 51 1.912 5.633 14.011 1.00 0.00 C ATOM 706 OG SER A 51 1.464 5.479 15.347 1.00 0.00 O ATOM 0 H SER A 51 3.755 3.852 12.814 1.00 0.00 H new ATOM 0 HA SER A 51 0.915 3.768 13.631 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.958 5.939 14.008 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.347 6.428 13.524 1.00 0.00 H new ATOM 0 HG SER A 51 1.577 6.324 15.830 1.00 0.00 H new ATOM 712 N MET A 52 0.302 4.197 11.287 1.00 0.00 N ATOM 713 CA MET A 52 -0.100 4.428 9.904 1.00 0.00 C ATOM 714 C MET A 52 -1.586 4.761 9.817 1.00 0.00 C ATOM 715 O MET A 52 -2.360 4.424 10.714 1.00 0.00 O ATOM 716 CB MET A 52 0.209 3.198 9.048 1.00 0.00 C ATOM 717 CG MET A 52 1.694 2.886 8.949 1.00 0.00 C ATOM 718 SD MET A 52 2.012 1.177 8.468 1.00 0.00 S ATOM 719 CE MET A 52 2.306 1.369 6.711 1.00 0.00 C ATOM 0 H MET A 52 -0.376 3.674 11.841 1.00 0.00 H new ATOM 0 HA MET A 52 0.467 5.278 9.525 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.309 2.335 9.466 1.00 0.00 H new ATOM 0 HB3 MET A 52 -0.189 3.353 8.045 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.155 3.556 8.223 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.168 3.083 9.910 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.126 0.719 6.406 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.405 1.099 6.160 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.566 2.406 6.497 1.00 0.00 H new ATOM 729 N GLN A 53 -1.978 5.425 8.734 1.00 0.00 N ATOM 730 CA GLN A 53 -3.371 5.804 8.532 1.00 0.00 C ATOM 731 C GLN A 53 -3.754 5.704 7.060 1.00 0.00 C ATOM 732 O GLN A 53 -2.889 5.621 6.187 1.00 0.00 O ATOM 733 CB GLN A 53 -3.613 7.226 9.040 1.00 0.00 C ATOM 734 CG GLN A 53 -2.774 8.276 8.330 1.00 0.00 C ATOM 735 CD GLN A 53 -2.617 9.546 9.145 1.00 0.00 C ATOM 736 OE1 GLN A 53 -2.860 9.557 10.351 1.00 0.00 O ATOM 737 NE2 GLN A 53 -2.209 10.625 8.486 1.00 0.00 N ATOM 0 H GLN A 53 -1.350 5.711 7.983 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.996 5.113 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.668 7.472 8.918 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.399 7.263 10.108 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.789 7.863 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.235 8.518 7.372 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.019 10.570 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.086 11.508 8.981 1.00 0.00 H new ATOM 746 N ILE A 54 -5.056 5.713 6.791 1.00 0.00 N ATOM 747 CA ILE A 54 -5.553 5.624 5.424 1.00 0.00 C ATOM 748 C ILE A 54 -4.998 6.754 4.563 1.00 0.00 C ATOM 749 O ILE A 54 -4.934 7.905 4.996 1.00 0.00 O ATOM 750 CB ILE A 54 -7.092 5.670 5.380 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.681 4.581 6.277 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.586 5.513 3.950 1.00 0.00 C ATOM 753 CD1 ILE A 54 -7.619 3.197 5.668 1.00 0.00 C ATOM 0 H ILE A 54 -5.785 5.781 7.502 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.214 4.667 5.027 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.423 6.639 5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.146 4.575 7.227 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.720 4.826 6.498 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.675 5.548 3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.189 6.322 3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.248 4.557 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.054 2.475 6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.178 3.186 4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.580 2.932 5.473 1.00 0.00 H new ATOM 765 N CYS A 55 -4.598 6.417 3.341 1.00 0.00 N ATOM 766 CA CYS A 55 -4.049 7.404 2.417 1.00 0.00 C ATOM 767 C CYS A 55 -4.789 7.372 1.084 1.00 0.00 C ATOM 768 O CYS A 55 -5.012 8.410 0.461 1.00 0.00 O ATOM 769 CB CYS A 55 -2.558 7.147 2.193 1.00 0.00 C ATOM 770 SG CYS A 55 -1.668 8.550 1.479 1.00 0.00 S ATOM 0 H CYS A 55 -4.644 5.469 2.968 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.178 8.392 2.859 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.098 6.885 3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.443 6.285 1.536 1.00 0.00 H new ATOM 0 HG CYS A 55 -0.415 8.238 1.329 1.00 0.00 H new ATOM 776 N TYR A 56 -5.165 6.173 0.652 1.00 0.00 N ATOM 777 CA TYR A 56 -5.877 6.005 -0.610 1.00 0.00 C ATOM 778 C TYR A 56 -6.974 4.953 -0.481 1.00 0.00 C ATOM 779 O TYR A 56 -6.777 3.907 0.138 1.00 0.00 O ATOM 780 CB TYR A 56 -4.902 5.608 -1.720 1.00 0.00 C ATOM 781 CG TYR A 56 -5.573 5.351 -3.051 1.00 0.00 C ATOM 782 CD1 TYR A 56 -6.329 4.204 -3.260 1.00 0.00 C ATOM 783 CD2 TYR A 56 -5.451 6.255 -4.098 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.942 3.964 -4.474 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.062 6.025 -5.316 1.00 0.00 C ATOM 786 CZ TYR A 56 -6.806 4.877 -5.499 1.00 0.00 C ATOM 787 OH TYR A 56 -7.417 4.643 -6.710 1.00 0.00 O ATOM 0 H TYR A 56 -4.989 5.304 1.156 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.341 6.958 -0.866 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.162 6.399 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -4.363 4.711 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.439 3.488 -2.459 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -4.868 7.154 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.525 3.066 -4.620 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.958 6.739 -6.120 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.223 5.383 -7.323 1.00 0.00 H new ATOM 797 N CYS A 57 -8.130 5.240 -1.068 1.00 0.00 N ATOM 798 CA CYS A 57 -9.261 4.319 -1.019 1.00 0.00 C ATOM 799 C CYS A 57 -9.941 4.220 -2.381 1.00 0.00 C ATOM 800 O CYS A 57 -10.367 5.225 -2.949 1.00 0.00 O ATOM 801 CB CYS A 57 -10.272 4.774 0.035 1.00 0.00 C ATOM 802 SG CYS A 57 -9.537 5.684 1.415 1.00 0.00 S ATOM 0 H CYS A 57 -8.309 6.102 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.882 3.333 -0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -11.022 5.404 -0.444 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -10.792 3.900 0.426 1.00 0.00 H new ATOM 0 HG CYS A 57 -10.469 6.029 2.253 1.00 0.00 H new ATOM 808 N GLY A 58 -10.037 3.001 -2.902 1.00 0.00 N ATOM 809 CA GLY A 58 -10.663 2.793 -4.194 1.00 0.00 C ATOM 810 C GLY A 58 -10.218 1.502 -4.853 1.00 0.00 C ATOM 811 O GLY A 58 -9.277 0.845 -4.408 1.00 0.00 O ATOM 0 H GLY A 58 -9.692 2.153 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.746 2.780 -4.072 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.426 3.632 -4.848 1.00 0.00 H new ATOM 815 N PRO A 59 -10.903 1.121 -5.942 1.00 0.00 N ATOM 816 CA PRO A 59 -10.591 -0.102 -6.686 1.00 0.00 C ATOM 817 C PRO A 59 -9.267 -0.002 -7.436 1.00 0.00 C ATOM 818 O PRO A 59 -8.681 -1.014 -7.819 1.00 0.00 O ATOM 819 CB PRO A 59 -11.755 -0.224 -7.672 1.00 0.00 C ATOM 820 CG PRO A 59 -12.250 1.170 -7.849 1.00 0.00 C ATOM 821 CD PRO A 59 -12.036 1.856 -6.529 1.00 0.00 C ATOM 0 HA PRO A 59 -10.480 -0.963 -6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.428 -0.651 -8.620 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.537 -0.875 -7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.707 1.679 -8.646 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.304 1.178 -8.126 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.805 2.913 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.923 1.798 -5.898 1.00 0.00 H new ATOM 829 N GLY A 60 -8.800 1.226 -7.642 1.00 0.00 N ATOM 830 CA GLY A 60 -7.547 1.434 -8.345 1.00 0.00 C ATOM 831 C GLY A 60 -6.460 0.483 -7.887 1.00 0.00 C ATOM 832 O GLY A 60 -6.547 -0.097 -6.804 1.00 0.00 O ATOM 0 H GLY A 60 -9.266 2.080 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.709 1.307 -9.415 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.215 2.461 -8.193 1.00 0.00 H new ATOM 836 N LEU A 61 -5.433 0.320 -8.714 1.00 0.00 N ATOM 837 CA LEU A 61 -4.324 -0.571 -8.389 1.00 0.00 C ATOM 838 C LEU A 61 -2.987 0.150 -8.535 1.00 0.00 C ATOM 839 O LEU A 61 -1.945 -0.483 -8.709 1.00 0.00 O ATOM 840 CB LEU A 61 -4.353 -1.805 -9.293 1.00 0.00 C ATOM 841 CG LEU A 61 -5.710 -2.489 -9.451 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.728 -3.356 -10.701 1.00 0.00 C ATOM 843 CD2 LEU A 61 -6.036 -3.321 -8.220 1.00 0.00 C ATOM 0 H LEU A 61 -5.345 0.793 -9.614 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.435 -0.886 -7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.998 -1.515 -10.282 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.644 -2.535 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.473 -1.718 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.702 -3.835 -10.797 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.541 -2.735 -11.577 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.954 -4.120 -10.625 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.006 -3.800 -8.351 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.270 -4.084 -8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.066 -2.676 -7.342 1.00 0.00 H new ATOM 855 N SER A 62 -3.024 1.476 -8.459 1.00 0.00 N ATOM 856 CA SER A 62 -1.816 2.283 -8.584 1.00 0.00 C ATOM 857 C SER A 62 -2.033 3.679 -8.008 1.00 0.00 C ATOM 858 O SER A 62 -3.021 4.345 -8.321 1.00 0.00 O ATOM 859 CB SER A 62 -1.394 2.383 -10.051 1.00 0.00 C ATOM 860 OG SER A 62 -2.475 2.807 -10.865 1.00 0.00 O ATOM 0 H SER A 62 -3.878 2.015 -8.311 1.00 0.00 H new ATOM 0 HA SER A 62 -1.022 1.795 -8.018 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.565 3.084 -10.147 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.033 1.414 -10.396 1.00 0.00 H new ATOM 0 HG SER A 62 -3.034 3.437 -10.364 1.00 0.00 H new ATOM 866 N TYR A 63 -1.104 4.116 -7.166 1.00 0.00 N ATOM 867 CA TYR A 63 -1.194 5.431 -6.544 1.00 0.00 C ATOM 868 C TYR A 63 0.188 6.062 -6.403 1.00 0.00 C ATOM 869 O TYR A 63 1.153 5.394 -6.034 1.00 0.00 O ATOM 870 CB TYR A 63 -1.860 5.325 -5.171 1.00 0.00 C ATOM 871 CG TYR A 63 -1.908 6.635 -4.418 1.00 0.00 C ATOM 872 CD1 TYR A 63 -2.602 7.726 -4.927 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.261 6.782 -3.198 1.00 0.00 C ATOM 874 CE1 TYR A 63 -2.647 8.926 -4.244 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.302 7.977 -2.507 1.00 0.00 C ATOM 876 CZ TYR A 63 -1.996 9.047 -3.034 1.00 0.00 C ATOM 877 OH TYR A 63 -2.039 10.239 -2.348 1.00 0.00 O ATOM 0 H TYR A 63 -0.279 3.578 -6.898 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.801 6.068 -7.187 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.876 4.951 -5.297 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.322 4.591 -4.571 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.115 7.634 -5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.716 5.947 -2.782 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.189 9.765 -4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.794 8.074 -1.559 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.531 10.155 -1.514 1.00 0.00 H new ATOM 887 N GLU A 64 0.274 7.356 -6.699 1.00 0.00 N ATOM 888 CA GLU A 64 1.537 8.078 -6.606 1.00 0.00 C ATOM 889 C GLU A 64 1.568 8.960 -5.361 1.00 0.00 C ATOM 890 O GLU A 64 0.726 9.842 -5.190 1.00 0.00 O ATOM 891 CB GLU A 64 1.754 8.933 -7.856 1.00 0.00 C ATOM 892 CG GLU A 64 3.057 9.716 -7.838 1.00 0.00 C ATOM 893 CD GLU A 64 3.457 10.211 -9.215 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.889 11.224 -9.671 1.00 0.00 O ATOM 895 OE2 GLU A 64 4.342 9.584 -9.835 1.00 0.00 O ATOM 0 H GLU A 64 -0.516 7.925 -7.005 1.00 0.00 H new ATOM 0 HA GLU A 64 2.341 7.346 -6.532 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.739 8.288 -8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.922 9.630 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.956 10.567 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.851 9.085 -7.438 1.00 0.00 H new ATOM 902 N ILE A 65 2.545 8.714 -4.494 1.00 0.00 N ATOM 903 CA ILE A 65 2.687 9.486 -3.266 1.00 0.00 C ATOM 904 C ILE A 65 3.743 10.575 -3.419 1.00 0.00 C ATOM 905 O ILE A 65 4.770 10.374 -4.067 1.00 0.00 O ATOM 906 CB ILE A 65 3.065 8.584 -2.075 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.855 7.763 -1.624 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.601 9.423 -0.925 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.212 6.611 -0.712 1.00 0.00 C ATOM 0 H ILE A 65 3.249 7.987 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 65 1.719 9.947 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 65 3.848 7.896 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.153 8.419 -1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.342 7.374 -2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.864 8.772 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.487 9.967 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.837 10.132 -0.605 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.306 6.074 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.890 5.933 -1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.698 6.994 0.185 1.00 0.00 H new ATOM 921 N LYS A 66 3.485 11.731 -2.815 1.00 0.00 N ATOM 922 CA LYS A 66 4.414 12.853 -2.882 1.00 0.00 C ATOM 923 C LYS A 66 4.418 13.635 -1.571 1.00 0.00 C ATOM 924 O LYS A 66 3.633 13.351 -0.667 1.00 0.00 O ATOM 925 CB LYS A 66 4.044 13.781 -4.040 1.00 0.00 C ATOM 926 CG LYS A 66 4.395 13.217 -5.407 1.00 0.00 C ATOM 927 CD LYS A 66 4.249 14.267 -6.497 1.00 0.00 C ATOM 928 CE LYS A 66 4.074 13.628 -7.866 1.00 0.00 C ATOM 929 NZ LYS A 66 3.797 14.643 -8.920 1.00 0.00 N ATOM 0 H LYS A 66 2.640 11.915 -2.274 1.00 0.00 H new ATOM 0 HA LYS A 66 5.414 12.454 -3.050 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.974 13.984 -4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.554 14.735 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.419 12.843 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.748 12.368 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.391 14.903 -6.279 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.129 14.910 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.975 13.072 -8.125 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.255 12.909 -7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.684 14.168 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.924 15.157 -8.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.590 15.314 -8.973 1.00 0.00 H new ATOM 943 N GLY A 67 5.305 14.621 -1.478 1.00 0.00 N ATOM 944 CA GLY A 67 5.391 15.428 -0.276 1.00 0.00 C ATOM 945 C GLY A 67 6.087 14.705 0.860 1.00 0.00 C ATOM 946 O GLY A 67 5.744 14.892 2.028 1.00 0.00 O ATOM 0 H GLY A 67 5.965 14.875 -2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.928 16.350 -0.499 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.387 15.712 0.039 1.00 0.00 H new ATOM 950 N LEU A 68 7.066 13.873 0.519 1.00 0.00 N ATOM 951 CA LEU A 68 7.810 13.116 1.518 1.00 0.00 C ATOM 952 C LEU A 68 9.157 13.773 1.807 1.00 0.00 C ATOM 953 O LEU A 68 9.543 14.736 1.146 1.00 0.00 O ATOM 954 CB LEU A 68 8.023 11.677 1.044 1.00 0.00 C ATOM 955 CG LEU A 68 6.793 10.972 0.471 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.202 9.719 -0.288 1.00 0.00 C ATOM 957 CD2 LEU A 68 5.810 10.628 1.580 1.00 0.00 C ATOM 0 H LEU A 68 7.362 13.706 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 68 7.226 13.105 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.804 11.678 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.396 11.090 1.884 1.00 0.00 H new ATOM 0 HG LEU A 68 6.301 11.651 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.314 9.230 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.868 9.991 -1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.718 9.037 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.941 10.127 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.292 9.968 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.492 11.542 2.081 1.00 0.00 H new ATOM 969 N SER A 69 9.868 13.243 2.797 1.00 0.00 N ATOM 970 CA SER A 69 11.171 13.777 3.173 1.00 0.00 C ATOM 971 C SER A 69 12.293 12.853 2.709 1.00 0.00 C ATOM 972 O SER A 69 12.165 11.629 2.713 1.00 0.00 O ATOM 973 CB SER A 69 11.248 13.969 4.689 1.00 0.00 C ATOM 974 OG SER A 69 10.507 15.107 5.097 1.00 0.00 O ATOM 0 H SER A 69 9.563 12.444 3.353 1.00 0.00 H new ATOM 0 HA SER A 69 11.295 14.743 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.863 13.081 5.191 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.289 14.081 4.992 1.00 0.00 H new ATOM 0 HG SER A 69 10.570 15.207 6.070 1.00 0.00 H new ATOM 980 N PRO A 70 13.419 13.452 2.297 1.00 0.00 N ATOM 981 CA PRO A 70 14.587 12.703 1.822 1.00 0.00 C ATOM 982 C PRO A 70 15.284 11.945 2.946 1.00 0.00 C ATOM 983 O PRO A 70 15.215 12.337 4.110 1.00 0.00 O ATOM 984 CB PRO A 70 15.504 13.793 1.263 1.00 0.00 C ATOM 985 CG PRO A 70 15.117 15.029 1.999 1.00 0.00 C ATOM 986 CD PRO A 70 13.642 14.908 2.264 1.00 0.00 C ATOM 0 HA PRO A 70 14.314 11.941 1.092 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.554 13.548 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.367 13.913 0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.675 15.119 2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.336 15.919 1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.363 15.379 3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.053 15.387 1.482 1.00 0.00 H new ATOM 994 N ALA A 71 15.957 10.855 2.588 1.00 0.00 N ATOM 995 CA ALA A 71 16.670 10.043 3.566 1.00 0.00 C ATOM 996 C ALA A 71 15.791 9.741 4.775 1.00 0.00 C ATOM 997 O ALA A 71 16.182 9.985 5.917 1.00 0.00 O ATOM 998 CB ALA A 71 17.949 10.742 4.002 1.00 0.00 C ATOM 0 H ALA A 71 16.023 10.515 1.629 1.00 0.00 H new ATOM 0 HA ALA A 71 16.930 9.096 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.471 10.124 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.591 10.900 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.703 11.704 4.451 1.00 0.00 H new ATOM 1004 N THR A 72 14.599 9.211 4.518 1.00 0.00 N ATOM 1005 CA THR A 72 13.664 8.878 5.584 1.00 0.00 C ATOM 1006 C THR A 72 12.970 7.548 5.312 1.00 0.00 C ATOM 1007 O THR A 72 12.606 7.246 4.176 1.00 0.00 O ATOM 1008 CB THR A 72 12.596 9.975 5.757 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.227 11.239 5.997 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.660 9.643 6.910 1.00 0.00 C ATOM 0 H THR A 72 14.259 9.003 3.579 1.00 0.00 H new ATOM 0 HA THR A 72 14.247 8.799 6.502 1.00 0.00 H new ATOM 0 HB THR A 72 12.011 10.029 4.839 1.00 0.00 H new ATOM 0 HG1 THR A 72 13.767 11.488 5.218 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.915 10.432 7.012 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.160 8.695 6.711 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.234 9.564 7.833 1.00 0.00 H new ATOM 1018 N THR A 73 12.788 6.756 6.364 1.00 0.00 N ATOM 1019 CA THR A 73 12.138 5.456 6.238 1.00 0.00 C ATOM 1020 C THR A 73 10.626 5.608 6.125 1.00 0.00 C ATOM 1021 O THR A 73 10.038 6.519 6.709 1.00 0.00 O ATOM 1022 CB THR A 73 12.463 4.547 7.438 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.857 4.632 7.754 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.093 3.103 7.139 1.00 0.00 C ATOM 0 H THR A 73 13.081 6.991 7.312 1.00 0.00 H new ATOM 0 HA THR A 73 12.524 4.996 5.328 1.00 0.00 H new ATOM 0 HB THR A 73 11.876 4.886 8.292 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.055 4.052 8.519 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.332 2.480 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.026 3.037 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.656 2.755 6.273 1.00 0.00 H new ATOM 1032 N TYR A 74 10.000 4.710 5.372 1.00 0.00 N ATOM 1033 CA TYR A 74 8.555 4.745 5.181 1.00 0.00 C ATOM 1034 C TYR A 74 7.984 3.333 5.093 1.00 0.00 C ATOM 1035 O TYR A 74 8.704 2.375 4.812 1.00 0.00 O ATOM 1036 CB TYR A 74 8.206 5.529 3.915 1.00 0.00 C ATOM 1037 CG TYR A 74 8.399 7.021 4.054 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.416 7.818 4.627 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.565 7.635 3.612 1.00 0.00 C ATOM 1040 CE1 TYR A 74 7.588 9.184 4.756 1.00 0.00 C ATOM 1041 CE2 TYR A 74 9.746 8.999 3.739 1.00 0.00 C ATOM 1042 CZ TYR A 74 8.755 9.769 4.310 1.00 0.00 C ATOM 1043 OH TYR A 74 8.931 11.128 4.436 1.00 0.00 O ATOM 0 H TYR A 74 10.471 3.948 4.884 1.00 0.00 H new ATOM 0 HA TYR A 74 8.111 5.244 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.822 5.167 3.092 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.168 5.329 3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.502 7.363 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.343 7.036 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.813 9.789 5.203 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.659 9.460 3.393 1.00 0.00 H new ATOM 0 HH TYR A 74 9.615 11.308 5.114 1.00 0.00 H new ATOM 1053 N TYR A 75 6.683 3.213 5.335 1.00 0.00 N ATOM 1054 CA TYR A 75 6.013 1.920 5.285 1.00 0.00 C ATOM 1055 C TYR A 75 4.623 2.049 4.669 1.00 0.00 C ATOM 1056 O TYR A 75 3.959 3.076 4.818 1.00 0.00 O ATOM 1057 CB TYR A 75 5.906 1.322 6.690 1.00 0.00 C ATOM 1058 CG TYR A 75 7.232 1.232 7.411 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.786 2.346 8.028 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.929 0.033 7.475 1.00 0.00 C ATOM 1061 CE1 TYR A 75 8.998 2.269 8.688 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.140 -0.055 8.135 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.670 1.067 8.739 1.00 0.00 C ATOM 1064 OH TYR A 75 10.877 0.984 9.395 1.00 0.00 O ATOM 0 H TYR A 75 6.072 3.996 5.568 1.00 0.00 H new ATOM 0 HA TYR A 75 6.608 1.256 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.220 1.927 7.282 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.472 0.325 6.619 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.261 3.289 7.991 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.518 -0.846 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.416 3.146 9.161 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.668 -0.996 8.178 1.00 0.00 H new ATOM 0 HH TYR A 75 11.218 0.067 9.338 1.00 0.00 H new ATOM 1074 N CYS A 76 4.190 1.002 3.976 1.00 0.00 N ATOM 1075 CA CYS A 76 2.880 0.997 3.335 1.00 0.00 C ATOM 1076 C CYS A 76 2.279 -0.405 3.338 1.00 0.00 C ATOM 1077 O CYS A 76 2.990 -1.397 3.174 1.00 0.00 O ATOM 1078 CB CYS A 76 2.988 1.516 1.902 1.00 0.00 C ATOM 1079 SG CYS A 76 3.553 0.280 0.709 1.00 0.00 S ATOM 0 H CYS A 76 4.727 0.145 3.844 1.00 0.00 H new ATOM 0 HA CYS A 76 2.223 1.656 3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.013 1.889 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.674 2.363 1.884 1.00 0.00 H new ATOM 0 HG CYS A 76 3.583 -0.889 1.277 1.00 0.00 H new ATOM 1085 N ARG A 77 0.966 -0.480 3.526 1.00 0.00 N ATOM 1086 CA ARG A 77 0.269 -1.761 3.554 1.00 0.00 C ATOM 1087 C ARG A 77 -1.068 -1.668 2.823 1.00 0.00 C ATOM 1088 O ARG A 77 -1.775 -0.666 2.926 1.00 0.00 O ATOM 1089 CB ARG A 77 0.044 -2.213 4.997 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.950 -1.351 5.757 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.268 -1.940 7.123 1.00 0.00 C ATOM 1092 NE ARG A 77 -0.347 -1.464 8.151 1.00 0.00 N ATOM 1093 CZ ARG A 77 -0.370 -1.885 9.411 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -1.264 -2.787 9.795 1.00 0.00 N ATOM 1095 NH2 ARG A 77 0.501 -1.406 10.289 1.00 0.00 N ATOM 0 H ARG A 77 0.363 0.331 3.661 1.00 0.00 H new ATOM 0 HA ARG A 77 0.892 -2.496 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.309 -3.244 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.998 -2.204 5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.544 -0.347 5.878 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.868 -1.256 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.289 -1.679 7.402 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.221 -3.028 7.069 1.00 0.00 H new ATOM 0 HE ARG A 77 0.353 -0.770 7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.935 -3.158 9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.280 -3.109 10.763 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.190 -0.713 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.482 -1.731 11.256 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.407 -2.720 2.085 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.660 -2.757 1.338 1.00 0.00 C ATOM 1111 C VAL A 78 -3.455 -4.017 1.662 1.00 0.00 C ATOM 1112 O VAL A 78 -2.882 -5.082 1.891 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.409 -2.699 -0.180 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.776 -3.992 -0.668 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.707 -2.417 -0.922 1.00 0.00 C ATOM 0 H VAL A 78 -0.833 -3.557 1.988 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.234 -1.881 1.638 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.714 -1.885 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.607 -3.931 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.825 -4.146 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.442 -4.827 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.513 -2.379 -1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.426 -3.209 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.114 -1.461 -0.593 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.778 -3.887 1.680 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.651 -5.016 1.977 1.00 0.00 C ATOM 1127 C GLN A 79 -6.892 -4.992 1.090 1.00 0.00 C ATOM 1128 O GLN A 79 -7.202 -3.975 0.468 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.063 -4.997 3.450 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.268 -4.115 3.734 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.514 -3.920 5.217 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.716 -4.256 5.668 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -6.631 -3.472 5.950 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.268 -3.012 1.493 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.098 -5.933 1.774 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.285 -6.015 3.770 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.221 -4.651 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.120 -3.143 3.264 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.153 -4.559 3.278 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.721 -3.227 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.810 -3.347 6.946 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.597 -6.116 1.037 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.805 -6.223 0.228 1.00 0.00 C ATOM 1144 C ALA A 80 -10.051 -6.290 1.105 1.00 0.00 C ATOM 1145 O ALA A 80 -10.176 -7.172 1.956 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.728 -7.445 -0.677 1.00 0.00 C ATOM 0 H ALA A 80 -7.353 -6.966 1.545 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.877 -5.329 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.637 -7.512 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.865 -7.355 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.627 -8.343 -0.068 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.968 -5.353 0.894 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.205 -5.305 1.667 1.00 0.00 C ATOM 1154 C LEU A 81 -13.342 -5.989 0.917 1.00 0.00 C ATOM 1155 O LEU A 81 -13.447 -5.882 -0.305 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.580 -3.855 1.975 1.00 0.00 C ATOM 1157 CG LEU A 81 -11.821 -3.195 3.127 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.519 -2.586 2.630 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.685 -2.138 3.799 1.00 0.00 C ATOM 0 H LEU A 81 -10.879 -4.616 0.194 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.041 -5.838 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.422 -3.261 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.646 -3.816 2.199 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.581 -3.961 3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.993 -2.121 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.894 -3.367 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.735 -1.833 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.129 -1.679 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.957 -1.374 3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.589 -2.603 4.192 1.00 0.00 H new ATOM 1171 N SER A 82 -14.195 -6.690 1.657 1.00 0.00 N ATOM 1172 CA SER A 82 -15.326 -7.393 1.060 1.00 0.00 C ATOM 1173 C SER A 82 -16.626 -7.031 1.772 1.00 0.00 C ATOM 1174 O SER A 82 -16.646 -6.173 2.654 1.00 0.00 O ATOM 1175 CB SER A 82 -15.103 -8.905 1.122 1.00 0.00 C ATOM 1176 OG SER A 82 -14.733 -9.314 2.427 1.00 0.00 O ATOM 0 H SER A 82 -14.125 -6.787 2.670 1.00 0.00 H new ATOM 0 HA SER A 82 -15.404 -7.086 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.014 -9.422 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.325 -9.190 0.414 1.00 0.00 H new ATOM 0 HG SER A 82 -14.885 -8.578 3.056 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.712 -7.690 1.379 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.017 -7.440 1.979 1.00 0.00 C ATOM 1184 C VAL A 83 -19.288 -8.403 3.129 1.00 0.00 C ATOM 1185 O VAL A 83 -20.294 -8.285 3.828 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.146 -7.569 0.939 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.217 -6.323 0.070 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -19.944 -8.812 0.085 1.00 0.00 C ATOM 0 H VAL A 83 -17.713 -8.401 0.648 1.00 0.00 H new ATOM 0 HA VAL A 83 -18.999 -6.419 2.361 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.094 -7.669 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -21.020 -6.433 -0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.412 -5.453 0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.270 -6.189 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.751 -8.887 -0.644 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -18.989 -8.744 -0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -19.948 -9.696 0.723 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.382 -9.357 3.320 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.522 -10.341 4.387 1.00 0.00 C ATOM 1200 C VAL A 84 -17.399 -10.206 5.409 1.00 0.00 C ATOM 1201 O VAL A 84 -17.401 -10.876 6.442 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.526 -11.777 3.830 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.103 -12.268 3.610 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.282 -12.709 4.765 1.00 0.00 C ATOM 0 H VAL A 84 -17.544 -9.469 2.750 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.478 -10.146 4.874 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.037 -11.773 2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.126 -13.284 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.598 -11.614 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.564 -12.258 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.275 -13.719 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -18.802 -12.710 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.312 -12.366 4.866 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.438 -9.336 5.113 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.321 -9.129 6.017 1.00 0.00 C ATOM 1216 C GLY A 85 -14.221 -8.292 5.395 1.00 0.00 C ATOM 1217 O GLY A 85 -14.393 -7.732 4.313 1.00 0.00 O ATOM 0 H GLY A 85 -16.413 -8.771 4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.677 -8.640 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.914 -10.095 6.315 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.086 -8.206 6.082 1.00 0.00 N ATOM 1222 CA ALA A 86 -11.953 -7.432 5.591 1.00 0.00 C ATOM 1223 C ALA A 86 -10.669 -8.255 5.624 1.00 0.00 C ATOM 1224 O ALA A 86 -10.282 -8.776 6.669 1.00 0.00 O ATOM 1225 CB ALA A 86 -11.788 -6.160 6.409 1.00 0.00 C ATOM 0 H ALA A 86 -12.927 -8.663 6.980 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.153 -7.161 4.554 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -10.938 -5.592 6.031 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.692 -5.556 6.329 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.616 -6.419 7.454 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.015 -8.369 4.473 1.00 0.00 N ATOM 1232 CA GLY A 87 -8.782 -9.131 4.393 1.00 0.00 C ATOM 1233 C GLY A 87 -7.656 -8.497 5.185 1.00 0.00 C ATOM 1234 O GLY A 87 -7.621 -7.284 5.393 1.00 0.00 O ATOM 0 H GLY A 87 -10.316 -7.948 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.958 -10.141 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.482 -9.222 3.349 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.709 -9.328 5.644 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.558 -8.864 6.426 1.00 0.00 C ATOM 1240 C PRO A 88 -4.577 -8.051 5.588 1.00 0.00 C ATOM 1241 O PRO A 88 -4.379 -8.327 4.404 1.00 0.00 O ATOM 1242 CB PRO A 88 -4.905 -10.164 6.902 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.311 -11.183 5.893 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.686 -10.785 5.432 1.00 0.00 C ATOM 0 HA PRO A 88 -5.858 -8.200 7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.821 -10.067 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.247 -10.437 7.900 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.611 -11.206 5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.320 -12.182 6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.849 -11.041 4.385 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.464 -11.287 6.008 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.967 -7.047 6.208 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.007 -6.193 5.520 1.00 0.00 C ATOM 1254 C PHE A 89 -1.827 -7.009 5.002 1.00 0.00 C ATOM 1255 O PHE A 89 -1.288 -7.861 5.709 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.508 -5.091 6.457 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.375 -3.864 6.454 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.501 -3.091 5.311 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.063 -3.484 7.594 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.297 -1.961 5.306 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -4.862 -2.355 7.596 1.00 0.00 C ATOM 1262 CZ PHE A 89 -4.980 -1.594 6.450 1.00 0.00 C ATOM 0 H PHE A 89 -4.121 -6.805 7.187 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.511 -5.735 4.669 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.453 -5.485 7.472 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.495 -4.811 6.169 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.971 -3.375 4.414 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.975 -4.076 8.493 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.385 -1.366 4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.393 -2.069 8.492 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.605 -0.713 6.448 1.00 0.00 H new ATOM 1272 N SER A 90 -1.428 -6.742 3.763 1.00 0.00 N ATOM 1273 CA SER A 90 -0.313 -7.454 3.148 1.00 0.00 C ATOM 1274 C SER A 90 0.972 -7.238 3.940 1.00 0.00 C ATOM 1275 O SER A 90 0.998 -6.476 4.905 1.00 0.00 O ATOM 1276 CB SER A 90 -0.120 -6.990 1.703 1.00 0.00 C ATOM 1277 OG SER A 90 0.061 -5.586 1.638 1.00 0.00 O ATOM 0 H SER A 90 -1.860 -6.038 3.165 1.00 0.00 H new ATOM 0 HA SER A 90 -0.546 -8.519 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.745 -7.492 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.987 -7.276 1.107 1.00 0.00 H new ATOM 0 HG SER A 90 1.016 -5.383 1.549 1.00 0.00 H new ATOM 1283 N GLU A 91 2.037 -7.916 3.522 1.00 0.00 N ATOM 1284 CA GLU A 91 3.327 -7.799 4.194 1.00 0.00 C ATOM 1285 C GLU A 91 3.857 -6.371 4.108 1.00 0.00 C ATOM 1286 O GLU A 91 4.190 -5.884 3.029 1.00 0.00 O ATOM 1287 CB GLU A 91 4.337 -8.768 3.576 1.00 0.00 C ATOM 1288 CG GLU A 91 4.124 -10.215 3.988 1.00 0.00 C ATOM 1289 CD GLU A 91 4.989 -11.179 3.200 1.00 0.00 C ATOM 1290 OE1 GLU A 91 6.126 -11.451 3.637 1.00 0.00 O ATOM 1291 OE2 GLU A 91 4.528 -11.662 2.144 1.00 0.00 O ATOM 0 H GLU A 91 2.032 -8.550 2.723 1.00 0.00 H new ATOM 0 HA GLU A 91 3.186 -8.053 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.279 -8.696 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.343 -8.462 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.342 -10.322 5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.075 -10.478 3.850 1.00 0.00 H new ATOM 1298 N VAL A 92 3.932 -5.705 5.257 1.00 0.00 N ATOM 1299 CA VAL A 92 4.422 -4.333 5.314 1.00 0.00 C ATOM 1300 C VAL A 92 5.673 -4.160 4.460 1.00 0.00 C ATOM 1301 O VAL A 92 6.676 -4.845 4.664 1.00 0.00 O ATOM 1302 CB VAL A 92 4.739 -3.910 6.761 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.253 -2.479 6.798 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.510 -4.066 7.642 1.00 0.00 C ATOM 0 H VAL A 92 3.660 -6.094 6.160 1.00 0.00 H new ATOM 0 HA VAL A 92 3.628 -3.697 4.923 1.00 0.00 H new ATOM 0 HB VAL A 92 5.521 -4.562 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.472 -2.197 7.828 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.161 -2.403 6.200 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.495 -1.809 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.752 -3.763 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.705 -3.439 7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.191 -5.108 7.640 1.00 0.00 H new ATOM 1314 N VAL A 93 5.607 -3.240 3.503 1.00 0.00 N ATOM 1315 CA VAL A 93 6.736 -2.975 2.618 1.00 0.00 C ATOM 1316 C VAL A 93 7.490 -1.723 3.050 1.00 0.00 C ATOM 1317 O VAL A 93 7.055 -0.602 2.788 1.00 0.00 O ATOM 1318 CB VAL A 93 6.276 -2.806 1.158 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.460 -2.920 0.209 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.207 -3.833 0.814 1.00 0.00 C ATOM 0 H VAL A 93 4.784 -2.666 3.320 1.00 0.00 H new ATOM 0 HA VAL A 93 7.400 -3.837 2.685 1.00 0.00 H new ATOM 0 HB VAL A 93 5.843 -1.812 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.116 -2.798 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.189 -2.144 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 93 7.924 -3.900 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.893 -3.699 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.612 -4.837 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.349 -3.700 1.473 1.00 0.00 H new ATOM 1330 N ALA A 94 8.625 -1.921 3.713 1.00 0.00 N ATOM 1331 CA ALA A 94 9.442 -0.807 4.179 1.00 0.00 C ATOM 1332 C ALA A 94 10.326 -0.268 3.059 1.00 0.00 C ATOM 1333 O ALA A 94 10.787 -1.023 2.202 1.00 0.00 O ATOM 1334 CB ALA A 94 10.294 -1.237 5.365 1.00 0.00 C ATOM 0 H ALA A 94 8.999 -2.842 3.939 1.00 0.00 H new ATOM 0 HA ALA A 94 8.774 -0.007 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 94 10.899 -0.395 5.703 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.647 -1.568 6.177 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.947 -2.056 5.066 1.00 0.00 H new ATOM 1340 N CYS A 95 10.555 1.040 3.070 1.00 0.00 N ATOM 1341 CA CYS A 95 11.383 1.680 2.054 1.00 0.00 C ATOM 1342 C CYS A 95 12.085 2.910 2.621 1.00 0.00 C ATOM 1343 O CYS A 95 11.651 3.481 3.620 1.00 0.00 O ATOM 1344 CB CYS A 95 10.530 2.075 0.848 1.00 0.00 C ATOM 1345 SG CYS A 95 9.740 3.695 1.000 1.00 0.00 S ATOM 0 H CYS A 95 10.179 1.678 3.771 1.00 0.00 H new ATOM 0 HA CYS A 95 12.142 0.966 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.157 2.071 -0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 95 9.759 1.319 0.699 1.00 0.00 H new ATOM 0 HG CYS A 95 9.043 3.940 -0.070 1.00 0.00 H new ATOM 1351 N VAL A 96 13.176 3.312 1.975 1.00 0.00 N ATOM 1352 CA VAL A 96 13.939 4.474 2.413 1.00 0.00 C ATOM 1353 C VAL A 96 14.240 5.406 1.247 1.00 0.00 C ATOM 1354 O VAL A 96 14.829 4.997 0.245 1.00 0.00 O ATOM 1355 CB VAL A 96 15.265 4.056 3.078 1.00 0.00 C ATOM 1356 CG1 VAL A 96 16.093 5.281 3.434 1.00 0.00 C ATOM 1357 CG2 VAL A 96 14.997 3.207 4.311 1.00 0.00 C ATOM 0 H VAL A 96 13.551 2.849 1.147 1.00 0.00 H new ATOM 0 HA VAL A 96 13.324 4.999 3.144 1.00 0.00 H new ATOM 0 HB VAL A 96 15.835 3.456 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.025 4.966 3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.314 5.846 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.533 5.910 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A 96 15.944 2.920 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.407 3.780 5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.447 2.311 4.023 1.00 0.00 H new ATOM 1367 N THR A 97 13.834 6.665 1.381 1.00 0.00 N ATOM 1368 CA THR A 97 14.058 7.657 0.338 1.00 0.00 C ATOM 1369 C THR A 97 15.524 8.072 0.280 1.00 0.00 C ATOM 1370 O THR A 97 16.233 8.075 1.286 1.00 0.00 O ATOM 1371 CB THR A 97 13.191 8.911 0.557 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.289 9.342 1.919 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.736 8.629 0.212 1.00 0.00 C ATOM 0 H THR A 97 13.347 7.022 2.204 1.00 0.00 H new ATOM 0 HA THR A 97 13.776 7.190 -0.606 1.00 0.00 H new ATOM 0 HB THR A 97 13.558 9.699 -0.100 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.648 10.065 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.143 9.529 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.661 8.329 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.360 7.827 0.847 1.00 0.00 H new ATOM 1381 N PRO A 98 15.992 8.431 -0.925 1.00 0.00 N ATOM 1382 CA PRO A 98 17.378 8.855 -1.141 1.00 0.00 C ATOM 1383 C PRO A 98 17.674 10.213 -0.513 1.00 0.00 C ATOM 1384 O PRO A 98 16.794 11.061 -0.368 1.00 0.00 O ATOM 1385 CB PRO A 98 17.491 8.936 -2.666 1.00 0.00 C ATOM 1386 CG PRO A 98 16.097 9.175 -3.136 1.00 0.00 C ATOM 1387 CD PRO A 98 15.204 8.451 -2.168 1.00 0.00 C ATOM 0 HA PRO A 98 18.090 8.168 -0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.156 9.744 -2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.897 8.014 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.869 10.241 -3.155 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.958 8.801 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.254 8.969 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.972 7.443 -2.512 1.00 0.00 H new ATOM 1395 N PRO A 99 18.942 10.426 -0.131 1.00 0.00 N ATOM 1396 CA PRO A 99 19.383 11.680 0.487 1.00 0.00 C ATOM 1397 C PRO A 99 19.381 12.844 -0.498 1.00 0.00 C ATOM 1398 O PRO A 99 19.783 12.693 -1.652 1.00 0.00 O ATOM 1399 CB PRO A 99 20.809 11.368 0.944 1.00 0.00 C ATOM 1400 CG PRO A 99 21.266 10.275 0.041 1.00 0.00 C ATOM 1401 CD PRO A 99 20.043 9.459 -0.273 1.00 0.00 C ATOM 0 HA PRO A 99 18.721 11.991 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.452 12.244 0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.830 11.054 1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.709 10.680 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 99 22.030 9.664 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.085 9.043 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.932 8.620 0.414 1.00 0.00 H new ATOM 1409 N SER A 100 18.927 14.004 -0.036 1.00 0.00 N ATOM 1410 CA SER A 100 18.870 15.193 -0.878 1.00 0.00 C ATOM 1411 C SER A 100 19.897 16.228 -0.427 1.00 0.00 C ATOM 1412 O SER A 100 20.688 16.724 -1.230 1.00 0.00 O ATOM 1413 CB SER A 100 17.467 15.803 -0.843 1.00 0.00 C ATOM 1414 OG SER A 100 17.350 16.753 0.201 1.00 0.00 O ATOM 0 H SER A 100 18.593 14.146 0.917 1.00 0.00 H new ATOM 0 HA SER A 100 19.104 14.895 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.251 16.280 -1.799 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.727 15.014 -0.706 1.00 0.00 H new ATOM 0 HG SER A 100 16.507 17.243 0.105 1.00 0.00 H new