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 51 SER OG : rot 180:sc= 0.00961 USER MOD Set 1.2: A 53 GLN : amide:sc= -3.7! C(o=-3.7!,f=-4.9!) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 CYS SG : rot 180:sc= -0.934 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 11 CYS SG : rot -100:sc= -0.237 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 41:sc= -0.113 USER MOD Single : A 20 SER OG : rot 34:sc= 0.767 USER MOD Single : A 25 GLN : amide:sc= -0.0174 K(o=-0.017,f=-1.4) USER MOD Single : A 27 ASN : amide:sc= -0.023 K(o=-0.023,f=-0.99) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 41 TYR OH : rot 0:sc= -0.682 USER MOD Single : A 52 MET CE :methyl 156:sc= -1.86 (180deg=-3.08) 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 7:sc= 0.745 USER MOD Single : A 62 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -177:sc= 1.77 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 180:sc= -0.123 USER MOD Single : A 79 GLN :FLIP amide:sc= -3.28! C(o=-4.6!,f=-3.3!) USER MOD Single : A 82 SER OG : rot 12:sc= 1.01 USER MOD Single : A 90 SER OG : rot 140:sc= 0.0346 USER MOD Single : A 95 CYS SG : rot 22:sc= 0.351 USER MOD Single : A 97 THR OG1 : rot 161:sc= 1.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -11.533 -13.193 1.036 1.00 0.00 N ATOM 67 CA PRO A 8 -10.512 -13.495 0.029 1.00 0.00 C ATOM 68 C PRO A 8 -9.191 -13.932 0.655 1.00 0.00 C ATOM 69 O PRO A 8 -9.073 -14.022 1.877 1.00 0.00 O ATOM 70 CB PRO A 8 -10.338 -12.166 -0.711 1.00 0.00 C ATOM 71 CG PRO A 8 -10.751 -11.127 0.274 1.00 0.00 C ATOM 72 CD PRO A 8 -11.837 -11.754 1.105 1.00 0.00 C ATOM 0 HA PRO A 8 -10.809 -14.322 -0.616 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.305 -12.022 -1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.956 -12.129 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.910 -10.823 0.896 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.114 -10.232 -0.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.819 -11.388 2.132 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.827 -11.533 0.705 1.00 0.00 H new ATOM 80 N ASP A 9 -8.202 -14.201 -0.189 1.00 0.00 N ATOM 81 CA ASP A 9 -6.889 -14.627 0.282 1.00 0.00 C ATOM 82 C ASP A 9 -6.019 -13.423 0.628 1.00 0.00 C ATOM 83 O ASP A 9 -6.271 -12.310 0.168 1.00 0.00 O ATOM 84 CB ASP A 9 -6.196 -15.484 -0.778 1.00 0.00 C ATOM 85 CG ASP A 9 -5.085 -16.338 -0.198 1.00 0.00 C ATOM 86 OD1 ASP A 9 -3.997 -15.789 0.077 1.00 0.00 O ATOM 87 OD2 ASP A 9 -5.303 -17.553 -0.018 1.00 0.00 O ATOM 0 H ASP A 9 -8.284 -14.132 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.030 -15.222 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.932 -16.128 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.786 -14.837 -1.553 1.00 0.00 H new ATOM 92 N GLN A 10 -4.995 -13.654 1.443 1.00 0.00 N ATOM 93 CA GLN A 10 -4.089 -12.587 1.852 1.00 0.00 C ATOM 94 C GLN A 10 -3.663 -11.745 0.654 1.00 0.00 C ATOM 95 O GLN A 10 -3.722 -12.200 -0.489 1.00 0.00 O ATOM 96 CB GLN A 10 -2.856 -13.173 2.543 1.00 0.00 C ATOM 97 CG GLN A 10 -1.982 -12.127 3.218 1.00 0.00 C ATOM 98 CD GLN A 10 -0.697 -12.711 3.771 1.00 0.00 C ATOM 99 OE1 GLN A 10 -0.633 -13.893 4.111 1.00 0.00 O ATOM 100 NE2 GLN A 10 0.337 -11.882 3.865 1.00 0.00 N ATOM 0 H GLN A 10 -4.772 -14.570 1.833 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.619 -11.944 2.554 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.179 -13.900 3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.260 -13.713 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.741 -11.342 2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.542 -11.658 4.027 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.240 -10.910 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.228 -12.218 4.231 1.00 0.00 H new ATOM 109 N CYS A 11 -3.235 -10.516 0.923 1.00 0.00 N ATOM 110 CA CYS A 11 -2.801 -9.610 -0.133 1.00 0.00 C ATOM 111 C CYS A 11 -1.278 -9.560 -0.215 1.00 0.00 C ATOM 112 O CYS A 11 -0.595 -9.452 0.803 1.00 0.00 O ATOM 113 CB CYS A 11 -3.357 -8.206 0.110 1.00 0.00 C ATOM 114 SG CYS A 11 -5.040 -7.963 -0.505 1.00 0.00 S ATOM 0 H CYS A 11 -3.180 -10.125 1.863 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.186 -9.986 -1.081 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.339 -8.000 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.699 -7.479 -0.366 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.999 -7.343 -1.647 1.00 0.00 H new ATOM 120 N LYS A 12 -0.754 -9.641 -1.433 1.00 0.00 N ATOM 121 CA LYS A 12 0.688 -9.606 -1.649 1.00 0.00 C ATOM 122 C LYS A 12 1.237 -8.200 -1.427 1.00 0.00 C ATOM 123 O LYS A 12 0.538 -7.200 -1.594 1.00 0.00 O ATOM 124 CB LYS A 12 1.023 -10.077 -3.065 1.00 0.00 C ATOM 125 CG LYS A 12 0.896 -11.578 -3.253 1.00 0.00 C ATOM 126 CD LYS A 12 2.129 -12.310 -2.748 1.00 0.00 C ATOM 127 CE LYS A 12 2.254 -13.690 -3.375 1.00 0.00 C ATOM 128 NZ LYS A 12 1.311 -14.666 -2.761 1.00 0.00 N ATOM 0 H LYS A 12 -1.306 -9.731 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 12 1.155 -10.278 -0.929 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.363 -9.574 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.041 -9.774 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.015 -11.939 -2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.746 -11.802 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.020 -11.724 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.078 -12.405 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.060 -13.621 -4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.276 -14.050 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.427 -15.594 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.512 -14.751 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.334 -14.335 -2.894 1.00 0.00 H new ATOM 142 N PRO A 13 2.519 -8.119 -1.042 1.00 0.00 N ATOM 143 CA PRO A 13 3.192 -6.840 -0.791 1.00 0.00 C ATOM 144 C PRO A 13 3.423 -6.046 -2.071 1.00 0.00 C ATOM 145 O PRO A 13 3.938 -6.560 -3.065 1.00 0.00 O ATOM 146 CB PRO A 13 4.527 -7.257 -0.171 1.00 0.00 C ATOM 147 CG PRO A 13 4.769 -8.635 -0.684 1.00 0.00 C ATOM 148 CD PRO A 13 3.412 -9.269 -0.823 1.00 0.00 C ATOM 0 HA PRO A 13 2.598 -6.185 -0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.329 -6.579 -0.464 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.480 -7.243 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.288 -8.609 -1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.397 -9.203 0.003 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.379 -9.968 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.136 -9.828 0.071 1.00 0.00 H new ATOM 156 N PRO A 14 3.036 -4.762 -2.050 1.00 0.00 N ATOM 157 CA PRO A 14 3.193 -3.868 -3.202 1.00 0.00 C ATOM 158 C PRO A 14 4.653 -3.525 -3.474 1.00 0.00 C ATOM 159 O PRO A 14 5.506 -3.663 -2.598 1.00 0.00 O ATOM 160 CB PRO A 14 2.417 -2.615 -2.787 1.00 0.00 C ATOM 161 CG PRO A 14 2.438 -2.633 -1.298 1.00 0.00 C ATOM 162 CD PRO A 14 2.415 -4.083 -0.900 1.00 0.00 C ATOM 0 HA PRO A 14 2.832 -4.324 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.885 -1.712 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.396 -2.637 -3.169 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.330 -2.137 -0.914 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.578 -2.103 -0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.975 -4.256 0.019 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.399 -4.436 -0.726 1.00 0.00 H new ATOM 170 N GLN A 15 4.933 -3.078 -4.694 1.00 0.00 N ATOM 171 CA GLN A 15 6.291 -2.715 -5.081 1.00 0.00 C ATOM 172 C GLN A 15 6.465 -1.200 -5.104 1.00 0.00 C ATOM 173 O GLN A 15 5.900 -0.514 -5.956 1.00 0.00 O ATOM 174 CB GLN A 15 6.627 -3.300 -6.453 1.00 0.00 C ATOM 175 CG GLN A 15 8.107 -3.592 -6.645 1.00 0.00 C ATOM 176 CD GLN A 15 8.364 -4.602 -7.745 1.00 0.00 C ATOM 177 OE1 GLN A 15 8.470 -4.246 -8.920 1.00 0.00 O ATOM 178 NE2 GLN A 15 8.467 -5.872 -7.372 1.00 0.00 N ATOM 0 H GLN A 15 4.238 -2.959 -5.431 1.00 0.00 H new ATOM 0 HA GLN A 15 6.975 -3.129 -4.340 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.062 -4.222 -6.594 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.299 -2.604 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.629 -2.664 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.524 -3.965 -5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.373 -6.124 -6.388 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.640 -6.596 -8.069 1.00 0.00 H new ATOM 187 N VAL A 16 7.249 -0.684 -4.164 1.00 0.00 N ATOM 188 CA VAL A 16 7.498 0.750 -4.077 1.00 0.00 C ATOM 189 C VAL A 16 8.575 1.182 -5.065 1.00 0.00 C ATOM 190 O VAL A 16 9.554 0.467 -5.287 1.00 0.00 O ATOM 191 CB VAL A 16 7.925 1.161 -2.656 1.00 0.00 C ATOM 192 CG1 VAL A 16 6.707 1.325 -1.758 1.00 0.00 C ATOM 193 CG2 VAL A 16 8.892 0.142 -2.074 1.00 0.00 C ATOM 0 H VAL A 16 7.723 -1.238 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 16 6.561 1.249 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 16 8.437 2.122 -2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.029 1.616 -0.758 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.054 2.096 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 16 6.165 0.381 -1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.183 0.449 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.409 -0.834 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.778 0.080 -2.705 1.00 0.00 H new ATOM 203 N THR A 17 8.391 2.358 -5.657 1.00 0.00 N ATOM 204 CA THR A 17 9.348 2.885 -6.622 1.00 0.00 C ATOM 205 C THR A 17 9.671 4.346 -6.333 1.00 0.00 C ATOM 206 O THR A 17 8.973 5.250 -6.795 1.00 0.00 O ATOM 207 CB THR A 17 8.816 2.765 -8.064 1.00 0.00 C ATOM 208 OG1 THR A 17 8.553 1.392 -8.375 1.00 0.00 O ATOM 209 CG2 THR A 17 9.816 3.333 -9.059 1.00 0.00 C ATOM 0 H THR A 17 7.588 2.963 -5.485 1.00 0.00 H new ATOM 0 HA THR A 17 10.255 2.288 -6.526 1.00 0.00 H new ATOM 0 HB THR A 17 7.891 3.338 -8.136 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.214 1.323 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.418 3.237 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.993 4.385 -8.837 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.755 2.784 -8.985 1.00 0.00 H new ATOM 217 N CYS A 18 10.733 4.572 -5.568 1.00 0.00 N ATOM 218 CA CYS A 18 11.149 5.925 -5.217 1.00 0.00 C ATOM 219 C CYS A 18 11.370 6.769 -6.469 1.00 0.00 C ATOM 220 O CYS A 18 12.383 6.627 -7.153 1.00 0.00 O ATOM 221 CB CYS A 18 12.429 5.887 -4.382 1.00 0.00 C ATOM 222 SG CYS A 18 13.801 5.013 -5.172 1.00 0.00 S ATOM 0 H CYS A 18 11.322 3.836 -5.179 1.00 0.00 H new ATOM 0 HA CYS A 18 10.353 6.381 -4.629 1.00 0.00 H new ATOM 0 HB2 CYS A 18 12.740 6.909 -4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 18 12.212 5.411 -3.426 1.00 0.00 H new ATOM 0 HG CYS A 18 13.832 5.308 -6.438 1.00 0.00 H new ATOM 228 N ARG A 19 10.413 7.643 -6.763 1.00 0.00 N ATOM 229 CA ARG A 19 10.503 8.507 -7.933 1.00 0.00 C ATOM 230 C ARG A 19 11.571 9.579 -7.740 1.00 0.00 C ATOM 231 O ARG A 19 12.308 9.910 -8.668 1.00 0.00 O ATOM 232 CB ARG A 19 9.149 9.165 -8.212 1.00 0.00 C ATOM 233 CG ARG A 19 8.107 8.206 -8.764 1.00 0.00 C ATOM 234 CD ARG A 19 8.315 7.952 -10.249 1.00 0.00 C ATOM 235 NE ARG A 19 9.421 7.032 -10.498 1.00 0.00 N ATOM 236 CZ ARG A 19 10.050 6.937 -11.664 1.00 0.00 C ATOM 237 NH1 ARG A 19 9.683 7.702 -12.683 1.00 0.00 N ATOM 238 NH2 ARG A 19 11.048 6.076 -11.813 1.00 0.00 N ATOM 0 H ARG A 19 9.567 7.771 -6.207 1.00 0.00 H new ATOM 0 HA ARG A 19 10.784 7.890 -8.787 1.00 0.00 H new ATOM 0 HB2 ARG A 19 8.772 9.606 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 19 9.291 9.981 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 19 8.157 7.262 -8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.110 8.616 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.400 7.543 -10.678 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.510 8.898 -10.755 1.00 0.00 H new ATOM 0 HE ARG A 19 9.728 6.429 -9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.916 8.365 -12.572 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.168 7.627 -13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 19 11.333 5.486 -11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.530 6.004 -12.709 1.00 0.00 H new ATOM 252 N SER A 20 11.649 10.117 -6.527 1.00 0.00 N ATOM 253 CA SER A 20 12.624 11.154 -6.212 1.00 0.00 C ATOM 254 C SER A 20 12.849 11.249 -4.706 1.00 0.00 C ATOM 255 O SER A 20 12.286 10.474 -3.933 1.00 0.00 O ATOM 256 CB SER A 20 12.156 12.505 -6.756 1.00 0.00 C ATOM 257 OG SER A 20 12.554 12.678 -8.104 1.00 0.00 O ATOM 0 H SER A 20 11.048 9.852 -5.746 1.00 0.00 H new ATOM 0 HA SER A 20 13.568 10.887 -6.686 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.071 12.574 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.568 13.309 -6.146 1.00 0.00 H new ATOM 0 HG SER A 20 12.540 11.812 -8.563 1.00 0.00 H new ATOM 263 N ALA A 21 13.675 12.207 -4.296 1.00 0.00 N ATOM 264 CA ALA A 21 13.973 12.405 -2.883 1.00 0.00 C ATOM 265 C ALA A 21 12.693 12.541 -2.065 1.00 0.00 C ATOM 266 O ALA A 21 12.570 11.965 -0.985 1.00 0.00 O ATOM 267 CB ALA A 21 14.853 13.633 -2.698 1.00 0.00 C ATOM 0 H ALA A 21 14.149 12.857 -4.922 1.00 0.00 H new ATOM 0 HA ALA A 21 14.510 11.528 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.068 13.770 -1.638 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.787 13.497 -3.243 1.00 0.00 H new ATOM 0 HB3 ALA A 21 14.335 14.513 -3.080 1.00 0.00 H new ATOM 273 N THR A 22 11.740 13.308 -2.589 1.00 0.00 N ATOM 274 CA THR A 22 10.470 13.521 -1.906 1.00 0.00 C ATOM 275 C THR A 22 9.308 12.976 -2.727 1.00 0.00 C ATOM 276 O THR A 22 8.218 13.552 -2.736 1.00 0.00 O ATOM 277 CB THR A 22 10.229 15.016 -1.624 1.00 0.00 C ATOM 278 OG1 THR A 22 10.133 15.739 -2.856 1.00 0.00 O ATOM 279 CG2 THR A 22 11.351 15.595 -0.776 1.00 0.00 C ATOM 0 H THR A 22 11.824 13.791 -3.483 1.00 0.00 H new ATOM 0 HA THR A 22 10.525 12.985 -0.959 1.00 0.00 H new ATOM 0 HB THR A 22 9.293 15.112 -1.074 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.978 16.688 -2.667 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.158 16.652 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.401 15.063 0.174 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.299 15.486 -1.303 1.00 0.00 H new ATOM 287 N CYS A 23 9.544 11.865 -3.415 1.00 0.00 N ATOM 288 CA CYS A 23 8.515 11.242 -4.240 1.00 0.00 C ATOM 289 C CYS A 23 8.548 9.724 -4.097 1.00 0.00 C ATOM 290 O CYS A 23 9.601 9.137 -3.847 1.00 0.00 O ATOM 291 CB CYS A 23 8.702 11.633 -5.707 1.00 0.00 C ATOM 292 SG CYS A 23 8.613 13.413 -6.014 1.00 0.00 S ATOM 0 H CYS A 23 10.439 11.377 -3.418 1.00 0.00 H new ATOM 0 HA CYS A 23 7.544 11.599 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 23 9.669 11.264 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.940 11.133 -6.305 1.00 0.00 H new ATOM 0 HG CYS A 23 8.785 13.644 -7.282 1.00 0.00 H new ATOM 298 N ALA A 24 7.389 9.094 -4.255 1.00 0.00 N ATOM 299 CA ALA A 24 7.286 7.645 -4.144 1.00 0.00 C ATOM 300 C ALA A 24 6.047 7.125 -4.867 1.00 0.00 C ATOM 301 O ALA A 24 5.070 7.854 -5.045 1.00 0.00 O ATOM 302 CB ALA A 24 7.258 7.228 -2.681 1.00 0.00 C ATOM 0 H ALA A 24 6.508 9.565 -4.460 1.00 0.00 H new ATOM 0 HA ALA A 24 8.163 7.206 -4.619 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.181 6.143 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.174 7.558 -2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.399 7.684 -2.189 1.00 0.00 H new ATOM 308 N GLN A 25 6.095 5.864 -5.282 1.00 0.00 N ATOM 309 CA GLN A 25 4.977 5.249 -5.987 1.00 0.00 C ATOM 310 C GLN A 25 4.716 3.838 -5.470 1.00 0.00 C ATOM 311 O GLN A 25 5.648 3.061 -5.260 1.00 0.00 O ATOM 312 CB GLN A 25 5.255 5.210 -7.492 1.00 0.00 C ATOM 313 CG GLN A 25 4.054 4.783 -8.320 1.00 0.00 C ATOM 314 CD GLN A 25 4.177 5.187 -9.777 1.00 0.00 C ATOM 315 OE1 GLN A 25 5.177 5.775 -10.188 1.00 0.00 O ATOM 316 NE2 GLN A 25 3.156 4.873 -10.566 1.00 0.00 N ATOM 0 H GLN A 25 6.896 5.248 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 25 4.089 5.853 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.579 6.198 -7.819 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.080 4.524 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.939 3.701 -8.255 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.151 5.225 -7.899 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.347 4.385 -10.183 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.181 5.120 -11.555 1.00 0.00 H new ATOM 325 N VAL A 26 3.444 3.514 -5.265 1.00 0.00 N ATOM 326 CA VAL A 26 3.061 2.196 -4.773 1.00 0.00 C ATOM 327 C VAL A 26 2.255 1.432 -5.818 1.00 0.00 C ATOM 328 O VAL A 26 1.460 2.016 -6.552 1.00 0.00 O ATOM 329 CB VAL A 26 2.233 2.300 -3.478 1.00 0.00 C ATOM 330 CG1 VAL A 26 2.161 0.950 -2.780 1.00 0.00 C ATOM 331 CG2 VAL A 26 2.822 3.354 -2.553 1.00 0.00 C ATOM 0 H VAL A 26 2.661 4.146 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 26 3.984 1.655 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 26 1.219 2.603 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.572 1.043 -1.867 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.691 0.223 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.168 0.616 -2.530 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.225 3.414 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.846 3.082 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.818 4.322 -3.055 1.00 0.00 H new ATOM 341 N ASN A 27 2.466 0.121 -5.878 1.00 0.00 N ATOM 342 CA ASN A 27 1.759 -0.724 -6.833 1.00 0.00 C ATOM 343 C ASN A 27 1.379 -2.060 -6.200 1.00 0.00 C ATOM 344 O ASN A 27 2.159 -2.647 -5.452 1.00 0.00 O ATOM 345 CB ASN A 27 2.625 -0.962 -8.073 1.00 0.00 C ATOM 346 CG ASN A 27 2.619 0.224 -9.018 1.00 0.00 C ATOM 347 OD1 ASN A 27 1.573 0.817 -9.280 1.00 0.00 O ATOM 348 ND2 ASN A 27 3.791 0.573 -9.535 1.00 0.00 N ATOM 0 H ASN A 27 3.121 -0.379 -5.277 1.00 0.00 H new ATOM 0 HA ASN A 27 0.845 -0.210 -7.129 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.649 -1.171 -7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.265 -1.845 -8.600 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.850 1.362 -10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.633 0.052 -9.289 1.00 0.00 H new ATOM 355 N TRP A 28 0.177 -2.531 -6.507 1.00 0.00 N ATOM 356 CA TRP A 28 -0.307 -3.797 -5.969 1.00 0.00 C ATOM 357 C TRP A 28 -1.204 -4.509 -6.976 1.00 0.00 C ATOM 358 O TRP A 28 -1.416 -4.021 -8.085 1.00 0.00 O ATOM 359 CB TRP A 28 -1.070 -3.563 -4.665 1.00 0.00 C ATOM 360 CG TRP A 28 -2.313 -2.745 -4.843 1.00 0.00 C ATOM 361 CD1 TRP A 28 -3.560 -3.206 -5.160 1.00 0.00 C ATOM 362 CD2 TRP A 28 -2.431 -1.324 -4.714 1.00 0.00 C ATOM 363 NE1 TRP A 28 -4.444 -2.157 -5.238 1.00 0.00 N ATOM 364 CE2 TRP A 28 -3.776 -0.992 -4.967 1.00 0.00 C ATOM 365 CE3 TRP A 28 -1.530 -0.300 -4.408 1.00 0.00 C ATOM 366 CZ2 TRP A 28 -4.239 0.320 -4.924 1.00 0.00 C ATOM 367 CZ3 TRP A 28 -1.992 1.002 -4.365 1.00 0.00 C ATOM 368 CH2 TRP A 28 -3.336 1.303 -4.622 1.00 0.00 C ATOM 0 H TRP A 28 -0.481 -2.056 -7.125 1.00 0.00 H new ATOM 0 HA TRP A 28 0.557 -4.431 -5.767 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.337 -4.526 -4.231 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.413 -3.063 -3.953 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.813 -4.243 -5.325 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.436 -2.233 -5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.492 -0.522 -4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.275 0.554 -5.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.305 1.801 -4.129 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.666 2.331 -4.581 1.00 0.00 H new ATOM 379 N GLU A 29 -1.729 -5.666 -6.581 1.00 0.00 N ATOM 380 CA GLU A 29 -2.603 -6.444 -7.450 1.00 0.00 C ATOM 381 C GLU A 29 -3.682 -7.157 -6.641 1.00 0.00 C ATOM 382 O GLU A 29 -3.655 -7.152 -5.410 1.00 0.00 O ATOM 383 CB GLU A 29 -1.789 -7.466 -8.247 1.00 0.00 C ATOM 384 CG GLU A 29 -1.198 -6.907 -9.531 1.00 0.00 C ATOM 385 CD GLU A 29 -2.248 -6.660 -10.597 1.00 0.00 C ATOM 386 OE1 GLU A 29 -3.015 -5.683 -10.461 1.00 0.00 O ATOM 387 OE2 GLU A 29 -2.303 -7.445 -11.567 1.00 0.00 O ATOM 0 H GLU A 29 -1.564 -6.084 -5.665 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.088 -5.756 -8.143 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.981 -7.843 -7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.427 -8.316 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.681 -5.973 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.451 -7.602 -9.916 1.00 0.00 H new ATOM 394 N VAL A 30 -4.631 -7.770 -7.341 1.00 0.00 N ATOM 395 CA VAL A 30 -5.719 -8.488 -6.689 1.00 0.00 C ATOM 396 C VAL A 30 -5.432 -9.984 -6.627 1.00 0.00 C ATOM 397 O VAL A 30 -4.960 -10.591 -7.590 1.00 0.00 O ATOM 398 CB VAL A 30 -7.057 -8.263 -7.419 1.00 0.00 C ATOM 399 CG1 VAL A 30 -8.202 -8.893 -6.641 1.00 0.00 C ATOM 400 CG2 VAL A 30 -7.302 -6.778 -7.636 1.00 0.00 C ATOM 0 H VAL A 30 -4.668 -7.784 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.795 -8.094 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.004 -8.745 -8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.139 -8.724 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.029 -9.965 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.260 -8.442 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.251 -6.638 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.335 -6.270 -6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.496 -6.360 -8.239 1.00 0.00 H new ATOM 410 N PRO A 31 -5.720 -10.595 -5.469 1.00 0.00 N ATOM 411 CA PRO A 31 -5.501 -12.028 -5.253 1.00 0.00 C ATOM 412 C PRO A 31 -6.466 -12.890 -6.062 1.00 0.00 C ATOM 413 O PRO A 31 -7.187 -12.389 -6.925 1.00 0.00 O ATOM 414 CB PRO A 31 -5.754 -12.205 -3.754 1.00 0.00 C ATOM 415 CG PRO A 31 -6.664 -11.084 -3.389 1.00 0.00 C ATOM 416 CD PRO A 31 -6.283 -9.934 -4.280 1.00 0.00 C ATOM 0 HA PRO A 31 -4.506 -12.340 -5.570 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.211 -13.171 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.824 -12.160 -3.187 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.707 -11.364 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.552 -10.817 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -7.146 -9.319 -4.533 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.555 -9.279 -3.802 1.00 0.00 H new ATOM 424 N LEU A 32 -6.475 -14.187 -5.775 1.00 0.00 N ATOM 425 CA LEU A 32 -7.352 -15.119 -6.475 1.00 0.00 C ATOM 426 C LEU A 32 -8.641 -15.346 -5.690 1.00 0.00 C ATOM 427 O LEU A 32 -8.754 -16.309 -4.930 1.00 0.00 O ATOM 428 CB LEU A 32 -6.637 -16.452 -6.701 1.00 0.00 C ATOM 429 CG LEU A 32 -7.162 -17.308 -7.855 1.00 0.00 C ATOM 430 CD1 LEU A 32 -6.073 -18.240 -8.365 1.00 0.00 C ATOM 431 CD2 LEU A 32 -8.385 -18.100 -7.417 1.00 0.00 C ATOM 0 H LEU A 32 -5.885 -14.617 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.608 -14.684 -7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.580 -16.250 -6.877 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.701 -17.036 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.456 -16.647 -8.670 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.464 -18.841 -9.186 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.226 -17.651 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.748 -18.896 -7.557 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.745 -18.703 -8.250 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.118 -18.752 -6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.170 -17.413 -7.101 1.00 0.00 H new ATOM 501 N VAL A 38 -13.168 -7.847 -4.985 1.00 0.00 N ATOM 502 CA VAL A 38 -12.751 -6.813 -4.047 1.00 0.00 C ATOM 503 C VAL A 38 -13.514 -5.515 -4.284 1.00 0.00 C ATOM 504 O VAL A 38 -13.427 -4.917 -5.357 1.00 0.00 O ATOM 505 CB VAL A 38 -11.240 -6.534 -4.153 1.00 0.00 C ATOM 506 CG1 VAL A 38 -10.809 -5.520 -3.105 1.00 0.00 C ATOM 507 CG2 VAL A 38 -10.449 -7.827 -4.014 1.00 0.00 C ATOM 0 HA VAL A 38 -12.975 -7.185 -3.047 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.034 -6.113 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.739 -5.336 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.352 -4.587 -3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.027 -5.909 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.383 -7.612 -4.091 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.658 -8.279 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.738 -8.517 -4.806 1.00 0.00 H new ATOM 517 N THR A 39 -14.264 -5.082 -3.275 1.00 0.00 N ATOM 518 CA THR A 39 -15.044 -3.855 -3.374 1.00 0.00 C ATOM 519 C THR A 39 -14.137 -2.637 -3.514 1.00 0.00 C ATOM 520 O THR A 39 -14.274 -1.856 -4.455 1.00 0.00 O ATOM 521 CB THR A 39 -15.951 -3.665 -2.144 1.00 0.00 C ATOM 522 OG1 THR A 39 -15.153 -3.522 -0.964 1.00 0.00 O ATOM 523 CG2 THR A 39 -16.897 -4.845 -1.983 1.00 0.00 C ATOM 0 H THR A 39 -14.347 -5.563 -2.380 1.00 0.00 H new ATOM 0 HA THR A 39 -15.666 -3.947 -4.265 1.00 0.00 H new ATOM 0 HB THR A 39 -16.543 -2.762 -2.292 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.737 -3.400 -0.187 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.528 -4.689 -1.108 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.523 -4.933 -2.871 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.319 -5.760 -1.855 1.00 0.00 H new ATOM 531 N GLU A 40 -13.211 -2.482 -2.573 1.00 0.00 N ATOM 532 CA GLU A 40 -12.282 -1.359 -2.593 1.00 0.00 C ATOM 533 C GLU A 40 -10.934 -1.757 -2.001 1.00 0.00 C ATOM 534 O GLU A 40 -10.732 -2.905 -1.605 1.00 0.00 O ATOM 535 CB GLU A 40 -12.863 -0.174 -1.818 1.00 0.00 C ATOM 536 CG GLU A 40 -12.678 -0.282 -0.313 1.00 0.00 C ATOM 537 CD GLU A 40 -13.742 0.471 0.461 1.00 0.00 C ATOM 538 OE1 GLU A 40 -14.899 0.002 0.488 1.00 0.00 O ATOM 539 OE2 GLU A 40 -13.417 1.528 1.039 1.00 0.00 O ATOM 0 H GLU A 40 -13.084 -3.120 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.130 -1.065 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.392 0.745 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.927 -0.092 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.698 -1.332 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.695 0.105 -0.043 1.00 0.00 H new ATOM 546 N TYR A 41 -10.014 -0.801 -1.944 1.00 0.00 N ATOM 547 CA TYR A 41 -8.682 -1.051 -1.404 1.00 0.00 C ATOM 548 C TYR A 41 -8.219 0.116 -0.536 1.00 0.00 C ATOM 549 O TYR A 41 -8.119 1.250 -1.005 1.00 0.00 O ATOM 550 CB TYR A 41 -7.685 -1.287 -2.538 1.00 0.00 C ATOM 551 CG TYR A 41 -7.572 -2.737 -2.954 1.00 0.00 C ATOM 552 CD1 TYR A 41 -6.705 -3.602 -2.300 1.00 0.00 C ATOM 553 CD2 TYR A 41 -8.335 -3.241 -4.000 1.00 0.00 C ATOM 554 CE1 TYR A 41 -6.599 -4.927 -2.678 1.00 0.00 C ATOM 555 CE2 TYR A 41 -8.237 -4.564 -4.383 1.00 0.00 C ATOM 556 CZ TYR A 41 -7.367 -5.403 -3.719 1.00 0.00 C ATOM 557 OH TYR A 41 -7.265 -6.723 -4.098 1.00 0.00 O ATOM 0 H TYR A 41 -10.166 0.155 -2.265 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.731 -1.945 -0.782 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.983 -0.692 -3.402 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.703 -0.929 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.103 -3.233 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.017 -2.586 -4.523 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -5.918 -5.586 -2.160 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.838 -4.940 -5.198 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.608 -7.177 -3.530 1.00 0.00 H new ATOM 567 N ARG A 42 -7.936 -0.173 0.730 1.00 0.00 N ATOM 568 CA ARG A 42 -7.482 0.852 1.663 1.00 0.00 C ATOM 569 C ARG A 42 -5.980 0.742 1.903 1.00 0.00 C ATOM 570 O ARG A 42 -5.505 -0.220 2.510 1.00 0.00 O ATOM 571 CB ARG A 42 -8.231 0.729 2.991 1.00 0.00 C ATOM 572 CG ARG A 42 -9.567 1.454 3.006 1.00 0.00 C ATOM 573 CD ARG A 42 -9.918 1.948 4.401 1.00 0.00 C ATOM 574 NE ARG A 42 -11.353 2.163 4.560 1.00 0.00 N ATOM 575 CZ ARG A 42 -12.208 1.201 4.891 1.00 0.00 C ATOM 576 NH1 ARG A 42 -11.773 -0.035 5.097 1.00 0.00 N ATOM 577 NH2 ARG A 42 -13.500 1.473 5.017 1.00 0.00 N ATOM 0 H ARG A 42 -8.013 -1.107 1.133 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.692 1.827 1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.397 -0.326 3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.604 1.124 3.790 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.531 2.299 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.349 0.785 2.648 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.576 1.223 5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.388 2.879 4.600 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.719 3.103 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.780 -0.249 5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.431 -0.772 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.839 2.422 4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.155 0.733 5.271 1.00 0.00 H new ATOM 591 N LEU A 43 -5.235 1.731 1.423 1.00 0.00 N ATOM 592 CA LEU A 43 -3.785 1.747 1.585 1.00 0.00 C ATOM 593 C LEU A 43 -3.375 2.647 2.745 1.00 0.00 C ATOM 594 O LEU A 43 -3.686 3.837 2.758 1.00 0.00 O ATOM 595 CB LEU A 43 -3.113 2.220 0.295 1.00 0.00 C ATOM 596 CG LEU A 43 -1.593 2.377 0.348 1.00 0.00 C ATOM 597 CD1 LEU A 43 -0.917 1.017 0.420 1.00 0.00 C ATOM 598 CD2 LEU A 43 -1.095 3.159 -0.858 1.00 0.00 C ATOM 0 H LEU A 43 -5.611 2.533 0.918 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.459 0.731 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.358 1.514 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.548 3.179 0.013 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.337 2.935 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.164 1.150 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.249 0.493 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.181 0.432 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.011 3.261 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.364 2.629 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.553 4.148 -0.864 1.00 0.00 H new ATOM 610 N GLU A 44 -2.676 2.069 3.717 1.00 0.00 N ATOM 611 CA GLU A 44 -2.223 2.822 4.881 1.00 0.00 C ATOM 612 C GLU A 44 -0.742 3.171 4.762 1.00 0.00 C ATOM 613 O GLU A 44 0.113 2.285 4.720 1.00 0.00 O ATOM 614 CB GLU A 44 -2.468 2.020 6.161 1.00 0.00 C ATOM 615 CG GLU A 44 -3.919 2.019 6.610 1.00 0.00 C ATOM 616 CD GLU A 44 -4.083 1.587 8.055 1.00 0.00 C ATOM 617 OE1 GLU A 44 -3.662 2.349 8.951 1.00 0.00 O ATOM 618 OE2 GLU A 44 -4.631 0.491 8.289 1.00 0.00 O ATOM 0 H GLU A 44 -2.412 1.084 3.722 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.794 3.749 4.926 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.145 0.991 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.850 2.429 6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.335 3.019 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.494 1.352 5.968 1.00 0.00 H new ATOM 625 N TRP A 45 -0.447 4.464 4.708 1.00 0.00 N ATOM 626 CA TRP A 45 0.930 4.930 4.593 1.00 0.00 C ATOM 627 C TRP A 45 1.184 6.113 5.520 1.00 0.00 C ATOM 628 O TRP A 45 0.386 7.048 5.581 1.00 0.00 O ATOM 629 CB TRP A 45 1.238 5.323 3.147 1.00 0.00 C ATOM 630 CG TRP A 45 2.610 5.900 2.967 1.00 0.00 C ATOM 631 CD1 TRP A 45 3.132 6.986 3.608 1.00 0.00 C ATOM 632 CD2 TRP A 45 3.632 5.421 2.088 1.00 0.00 C ATOM 633 NE1 TRP A 45 4.417 7.213 3.179 1.00 0.00 N ATOM 634 CE2 TRP A 45 4.749 6.265 2.248 1.00 0.00 C ATOM 635 CE3 TRP A 45 3.715 4.360 1.182 1.00 0.00 C ATOM 636 CZ2 TRP A 45 5.929 6.080 1.533 1.00 0.00 C ATOM 637 CZ3 TRP A 45 4.887 4.178 0.474 1.00 0.00 C ATOM 638 CH2 TRP A 45 5.982 5.033 0.654 1.00 0.00 C ATOM 0 H TRP A 45 -1.143 5.209 4.742 1.00 0.00 H new ATOM 0 HA TRP A 45 1.589 4.114 4.888 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.135 4.445 2.510 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.499 6.050 2.810 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.611 7.580 4.345 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.025 7.966 3.502 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.877 3.694 1.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 6.773 6.740 1.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.960 3.363 -0.230 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.886 4.862 0.088 1.00 0.00 H new ATOM 649 N GLY A 46 2.300 6.067 6.240 1.00 0.00 N ATOM 650 CA GLY A 46 2.638 7.142 7.154 1.00 0.00 C ATOM 651 C GLY A 46 4.132 7.385 7.235 1.00 0.00 C ATOM 652 O GLY A 46 4.628 8.409 6.766 1.00 0.00 O ATOM 0 H GLY A 46 2.976 5.304 6.207 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.141 8.057 6.833 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.257 6.904 8.147 1.00 0.00 H new ATOM 656 N GLY A 47 4.853 6.443 7.835 1.00 0.00 N ATOM 657 CA GLY A 47 6.292 6.580 7.967 1.00 0.00 C ATOM 658 C GLY A 47 6.893 5.528 8.879 1.00 0.00 C ATOM 659 O GLY A 47 7.955 4.978 8.589 1.00 0.00 O ATOM 0 H GLY A 47 4.466 5.587 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.753 6.508 6.982 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.525 7.571 8.357 1.00 0.00 H new ATOM 663 N VAL A 48 6.213 5.249 9.987 1.00 0.00 N ATOM 664 CA VAL A 48 6.687 4.257 10.944 1.00 0.00 C ATOM 665 C VAL A 48 5.690 3.113 11.090 1.00 0.00 C ATOM 666 O VAL A 48 4.535 3.327 11.456 1.00 0.00 O ATOM 667 CB VAL A 48 6.934 4.887 12.329 1.00 0.00 C ATOM 668 CG1 VAL A 48 6.999 3.810 13.401 1.00 0.00 C ATOM 669 CG2 VAL A 48 8.210 5.716 12.316 1.00 0.00 C ATOM 0 H VAL A 48 5.333 5.696 10.243 1.00 0.00 H new ATOM 0 HA VAL A 48 7.628 3.868 10.556 1.00 0.00 H new ATOM 0 HB VAL A 48 6.100 5.549 12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.174 4.273 14.372 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.057 3.263 13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.813 3.121 13.176 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.370 6.154 13.301 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.056 5.078 12.061 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.120 6.511 11.576 1.00 0.00 H new ATOM 679 N GLU A 49 6.144 1.898 10.801 1.00 0.00 N ATOM 680 CA GLU A 49 5.290 0.720 10.900 1.00 0.00 C ATOM 681 C GLU A 49 4.474 0.746 12.188 1.00 0.00 C ATOM 682 O GLU A 49 3.375 0.197 12.251 1.00 0.00 O ATOM 683 CB GLU A 49 6.135 -0.555 10.844 1.00 0.00 C ATOM 684 CG GLU A 49 7.248 -0.594 11.877 1.00 0.00 C ATOM 685 CD GLU A 49 6.785 -1.135 13.215 1.00 0.00 C ATOM 686 OE1 GLU A 49 6.279 -2.276 13.251 1.00 0.00 O ATOM 687 OE2 GLU A 49 6.929 -0.417 14.227 1.00 0.00 O ATOM 0 H GLU A 49 7.098 1.703 10.497 1.00 0.00 H new ATOM 0 HA GLU A 49 4.602 0.729 10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.485 -1.418 10.990 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.571 -0.648 9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.064 -1.212 11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.646 0.411 12.014 1.00 0.00 H new ATOM 694 N GLY A 50 5.021 1.390 13.216 1.00 0.00 N ATOM 695 CA GLY A 50 4.330 1.476 14.489 1.00 0.00 C ATOM 696 C GLY A 50 3.057 2.293 14.404 1.00 0.00 C ATOM 697 O GLY A 50 2.052 1.957 15.032 1.00 0.00 O ATOM 0 H GLY A 50 5.929 1.853 13.189 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.091 0.471 14.837 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.994 1.920 15.230 1.00 0.00 H new ATOM 701 N SER A 51 3.098 3.371 13.628 1.00 0.00 N ATOM 702 CA SER A 51 1.940 4.244 13.469 1.00 0.00 C ATOM 703 C SER A 51 1.718 4.587 11.999 1.00 0.00 C ATOM 704 O SER A 51 2.611 5.106 11.330 1.00 0.00 O ATOM 705 CB SER A 51 2.126 5.527 14.282 1.00 0.00 C ATOM 706 OG SER A 51 1.180 6.512 13.902 1.00 0.00 O ATOM 0 H SER A 51 3.921 3.661 13.099 1.00 0.00 H new ATOM 0 HA SER A 51 1.062 3.714 13.838 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.020 5.307 15.344 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.135 5.911 14.135 1.00 0.00 H new ATOM 0 HG SER A 51 1.318 7.322 14.436 1.00 0.00 H new ATOM 712 N MET A 52 0.520 4.291 11.504 1.00 0.00 N ATOM 713 CA MET A 52 0.179 4.569 10.114 1.00 0.00 C ATOM 714 C MET A 52 -1.280 4.996 9.988 1.00 0.00 C ATOM 715 O MET A 52 -2.049 4.901 10.944 1.00 0.00 O ATOM 716 CB MET A 52 0.439 3.337 9.246 1.00 0.00 C ATOM 717 CG MET A 52 1.909 2.959 9.152 1.00 0.00 C ATOM 718 SD MET A 52 2.156 1.246 8.646 1.00 0.00 S ATOM 719 CE MET A 52 1.702 1.337 6.916 1.00 0.00 C ATOM 0 H MET A 52 -0.230 3.859 12.044 1.00 0.00 H new ATOM 0 HA MET A 52 0.810 5.387 9.768 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.120 2.493 9.651 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.055 3.522 8.243 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.405 3.619 8.440 1.00 0.00 H new ATOM 0 HG3 MET A 52 2.384 3.120 10.120 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.183 0.525 6.370 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.620 1.249 6.819 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.027 2.293 6.504 1.00 0.00 H new ATOM 729 N GLN A 53 -1.655 5.464 8.801 1.00 0.00 N ATOM 730 CA GLN A 53 -3.022 5.905 8.551 1.00 0.00 C ATOM 731 C GLN A 53 -3.405 5.692 7.091 1.00 0.00 C ATOM 732 O GLN A 53 -2.541 5.491 6.236 1.00 0.00 O ATOM 733 CB GLN A 53 -3.180 7.381 8.922 1.00 0.00 C ATOM 734 CG GLN A 53 -2.879 7.677 10.382 1.00 0.00 C ATOM 735 CD GLN A 53 -1.393 7.777 10.664 1.00 0.00 C ATOM 736 OE1 GLN A 53 -0.608 8.147 9.791 1.00 0.00 O ATOM 737 NE2 GLN A 53 -0.998 7.448 11.888 1.00 0.00 N ATOM 0 H GLN A 53 -1.031 5.547 7.998 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.689 5.308 9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.517 7.978 8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.199 7.696 8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.362 8.612 10.666 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.311 6.893 11.004 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.683 7.146 12.581 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.010 7.497 12.135 1.00 0.00 H new ATOM 746 N ILE A 54 -4.703 5.735 6.811 1.00 0.00 N ATOM 747 CA ILE A 54 -5.199 5.547 5.454 1.00 0.00 C ATOM 748 C ILE A 54 -4.787 6.707 4.553 1.00 0.00 C ATOM 749 O ILE A 54 -5.319 7.812 4.664 1.00 0.00 O ATOM 750 CB ILE A 54 -6.733 5.412 5.429 1.00 0.00 C ATOM 751 CG1 ILE A 54 -7.190 4.360 6.440 1.00 0.00 C ATOM 752 CG2 ILE A 54 -7.210 5.052 4.030 1.00 0.00 C ATOM 753 CD1 ILE A 54 -6.822 2.945 6.050 1.00 0.00 C ATOM 0 H ILE A 54 -5.431 5.899 7.507 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.755 4.624 5.080 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.172 6.370 5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.750 4.586 7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.272 4.426 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.296 4.960 4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.911 5.833 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.765 4.104 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.178 2.253 6.813 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.284 2.699 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.739 2.862 5.962 1.00 0.00 H new ATOM 765 N CYS A 55 -3.839 6.447 3.660 1.00 0.00 N ATOM 766 CA CYS A 55 -3.356 7.468 2.738 1.00 0.00 C ATOM 767 C CYS A 55 -4.284 7.596 1.534 1.00 0.00 C ATOM 768 O CYS A 55 -4.623 8.703 1.114 1.00 0.00 O ATOM 769 CB CYS A 55 -1.938 7.134 2.271 1.00 0.00 C ATOM 770 SG CYS A 55 -0.957 8.577 1.798 1.00 0.00 S ATOM 0 H CYS A 55 -3.389 5.537 3.555 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.342 8.422 3.266 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.420 6.602 3.069 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.998 6.454 1.421 1.00 0.00 H new ATOM 0 HG CYS A 55 0.226 8.193 1.420 1.00 0.00 H new ATOM 776 N TYR A 56 -4.689 6.458 0.983 1.00 0.00 N ATOM 777 CA TYR A 56 -5.574 6.442 -0.175 1.00 0.00 C ATOM 778 C TYR A 56 -6.576 5.296 -0.080 1.00 0.00 C ATOM 779 O TYR A 56 -6.264 4.226 0.442 1.00 0.00 O ATOM 780 CB TYR A 56 -4.761 6.317 -1.465 1.00 0.00 C ATOM 781 CG TYR A 56 -5.589 5.932 -2.669 1.00 0.00 C ATOM 782 CD1 TYR A 56 -5.834 4.599 -2.972 1.00 0.00 C ATOM 783 CD2 TYR A 56 -6.129 6.904 -3.505 1.00 0.00 C ATOM 784 CE1 TYR A 56 -6.589 4.242 -4.072 1.00 0.00 C ATOM 785 CE2 TYR A 56 -6.887 6.557 -4.607 1.00 0.00 C ATOM 786 CZ TYR A 56 -7.114 5.225 -4.886 1.00 0.00 C ATOM 787 OH TYR A 56 -7.869 4.874 -5.982 1.00 0.00 O ATOM 0 H TYR A 56 -4.418 5.534 1.320 1.00 0.00 H new ATOM 0 HA TYR A 56 -6.125 7.382 -0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.265 7.267 -1.665 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.978 5.572 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.427 3.827 -2.336 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.953 7.947 -3.289 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.767 3.200 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.299 7.324 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.164 5.684 -6.449 1.00 0.00 H new ATOM 797 N CYS A 57 -7.781 5.527 -0.591 1.00 0.00 N ATOM 798 CA CYS A 57 -8.830 4.515 -0.564 1.00 0.00 C ATOM 799 C CYS A 57 -9.567 4.461 -1.898 1.00 0.00 C ATOM 800 O CYS A 57 -9.893 5.494 -2.482 1.00 0.00 O ATOM 801 CB CYS A 57 -9.818 4.805 0.566 1.00 0.00 C ATOM 802 SG CYS A 57 -11.181 5.896 0.095 1.00 0.00 S ATOM 0 H CYS A 57 -8.055 6.407 -1.029 1.00 0.00 H new ATOM 0 HA CYS A 57 -8.362 3.546 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.230 3.862 0.925 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -9.278 5.255 1.399 1.00 0.00 H new ATOM 0 HG CYS A 57 -11.142 6.110 -1.187 1.00 0.00 H new ATOM 808 N GLY A 58 -9.825 3.247 -2.377 1.00 0.00 N ATOM 809 CA GLY A 58 -10.520 3.080 -3.641 1.00 0.00 C ATOM 810 C GLY A 58 -10.181 1.768 -4.320 1.00 0.00 C ATOM 811 O GLY A 58 -9.239 1.072 -3.938 1.00 0.00 O ATOM 0 H GLY A 58 -9.565 2.377 -1.913 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -11.595 3.130 -3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.264 3.906 -4.305 1.00 0.00 H new ATOM 815 N PRO A 59 -10.961 1.413 -5.351 1.00 0.00 N ATOM 816 CA PRO A 59 -10.759 0.172 -6.106 1.00 0.00 C ATOM 817 C PRO A 59 -9.490 0.208 -6.951 1.00 0.00 C ATOM 818 O PRO A 59 -9.091 -0.800 -7.534 1.00 0.00 O ATOM 819 CB PRO A 59 -11.997 0.096 -7.003 1.00 0.00 C ATOM 820 CG PRO A 59 -12.440 1.510 -7.156 1.00 0.00 C ATOM 821 CD PRO A 59 -12.101 2.193 -5.860 1.00 0.00 C ATOM 0 HA PRO A 59 -10.639 -0.690 -5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.760 -0.351 -7.968 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.777 -0.517 -6.551 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -11.933 1.989 -7.994 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.510 1.564 -7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.835 3.239 -6.014 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -12.941 2.177 -5.166 1.00 0.00 H new ATOM 829 N GLY A 60 -8.859 1.377 -7.013 1.00 0.00 N ATOM 830 CA GLY A 60 -7.641 1.522 -7.789 1.00 0.00 C ATOM 831 C GLY A 60 -6.634 0.429 -7.498 1.00 0.00 C ATOM 832 O GLY A 60 -6.773 -0.310 -6.522 1.00 0.00 O ATOM 0 H GLY A 60 -9.169 2.226 -6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.887 1.511 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.191 2.492 -7.576 1.00 0.00 H new ATOM 836 N LEU A 61 -5.617 0.323 -8.346 1.00 0.00 N ATOM 837 CA LEU A 61 -4.581 -0.691 -8.175 1.00 0.00 C ATOM 838 C LEU A 61 -3.200 -0.049 -8.082 1.00 0.00 C ATOM 839 O LEU A 61 -2.234 -0.690 -7.669 1.00 0.00 O ATOM 840 CB LEU A 61 -4.616 -1.686 -9.337 1.00 0.00 C ATOM 841 CG LEU A 61 -5.874 -2.547 -9.445 1.00 0.00 C ATOM 842 CD1 LEU A 61 -5.883 -3.317 -10.757 1.00 0.00 C ATOM 843 CD2 LEU A 61 -5.970 -3.502 -8.265 1.00 0.00 C ATOM 0 H LEU A 61 -5.487 0.926 -9.158 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.778 -1.222 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.499 -1.131 -10.268 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.754 -2.347 -9.249 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.743 -1.889 -9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.786 -3.924 -10.816 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.862 -2.615 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.007 -3.964 -10.805 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.872 -4.107 -8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.096 -4.153 -8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.011 -2.931 -7.337 1.00 0.00 H new ATOM 855 N SER A 62 -3.116 1.220 -8.467 1.00 0.00 N ATOM 856 CA SER A 62 -1.854 1.949 -8.428 1.00 0.00 C ATOM 857 C SER A 62 -2.059 3.363 -7.894 1.00 0.00 C ATOM 858 O SER A 62 -3.000 4.056 -8.283 1.00 0.00 O ATOM 859 CB SER A 62 -1.230 2.005 -9.825 1.00 0.00 C ATOM 860 OG SER A 62 -2.129 2.572 -10.761 1.00 0.00 O ATOM 0 H SER A 62 -3.907 1.765 -8.810 1.00 0.00 H new ATOM 0 HA SER A 62 -1.178 1.420 -7.756 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.313 2.593 -9.794 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.953 1.000 -10.144 1.00 0.00 H new ATOM 0 HG SER A 62 -1.707 2.599 -11.645 1.00 0.00 H new ATOM 866 N TYR A 63 -1.173 3.785 -6.999 1.00 0.00 N ATOM 867 CA TYR A 63 -1.257 5.115 -6.408 1.00 0.00 C ATOM 868 C TYR A 63 0.123 5.760 -6.320 1.00 0.00 C ATOM 869 O TYR A 63 1.133 5.072 -6.184 1.00 0.00 O ATOM 870 CB TYR A 63 -1.886 5.038 -5.016 1.00 0.00 C ATOM 871 CG TYR A 63 -2.094 6.390 -4.370 1.00 0.00 C ATOM 872 CD1 TYR A 63 -3.145 7.212 -4.757 1.00 0.00 C ATOM 873 CD2 TYR A 63 -1.239 6.845 -3.374 1.00 0.00 C ATOM 874 CE1 TYR A 63 -3.338 8.449 -4.171 1.00 0.00 C ATOM 875 CE2 TYR A 63 -1.425 8.078 -2.781 1.00 0.00 C ATOM 876 CZ TYR A 63 -2.476 8.877 -3.183 1.00 0.00 C ATOM 877 OH TYR A 63 -2.665 10.107 -2.595 1.00 0.00 O ATOM 0 H TYR A 63 -0.388 3.225 -6.667 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.886 5.732 -7.050 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.846 4.527 -5.088 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -1.250 4.431 -4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.823 6.879 -5.529 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.414 6.223 -3.058 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -4.159 9.077 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.752 8.415 -2.007 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.972 10.256 -1.918 1.00 0.00 H new ATOM 887 N GLU A 64 0.155 7.086 -6.398 1.00 0.00 N ATOM 888 CA GLU A 64 1.410 7.826 -6.327 1.00 0.00 C ATOM 889 C GLU A 64 1.450 8.712 -5.086 1.00 0.00 C ATOM 890 O GLU A 64 0.502 9.445 -4.802 1.00 0.00 O ATOM 891 CB GLU A 64 1.597 8.678 -7.583 1.00 0.00 C ATOM 892 CG GLU A 64 2.977 9.303 -7.695 1.00 0.00 C ATOM 893 CD GLU A 64 3.376 9.586 -9.131 1.00 0.00 C ATOM 894 OE1 GLU A 64 2.473 9.711 -9.983 1.00 0.00 O ATOM 895 OE2 GLU A 64 4.591 9.683 -9.400 1.00 0.00 O ATOM 0 H GLU A 64 -0.673 7.670 -6.510 1.00 0.00 H new ATOM 0 HA GLU A 64 2.224 7.104 -6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.415 8.059 -8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.847 9.469 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.998 10.233 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.711 8.636 -7.243 1.00 0.00 H new ATOM 902 N ILE A 65 2.555 8.641 -4.350 1.00 0.00 N ATOM 903 CA ILE A 65 2.718 9.437 -3.140 1.00 0.00 C ATOM 904 C ILE A 65 3.814 10.483 -3.315 1.00 0.00 C ATOM 905 O ILE A 65 4.871 10.202 -3.879 1.00 0.00 O ATOM 906 CB ILE A 65 3.057 8.553 -1.925 1.00 0.00 C ATOM 907 CG1 ILE A 65 1.817 7.782 -1.466 1.00 0.00 C ATOM 908 CG2 ILE A 65 3.611 9.401 -0.791 1.00 0.00 C ATOM 909 CD1 ILE A 65 2.133 6.620 -0.551 1.00 0.00 C ATOM 0 H ILE A 65 3.350 8.041 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 65 1.766 9.937 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 65 3.821 7.833 -2.220 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.143 8.467 -0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.285 7.410 -2.342 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.846 8.762 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.516 9.908 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.869 10.142 -0.495 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.208 6.120 -0.265 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.782 5.914 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.638 6.987 0.343 1.00 0.00 H new ATOM 921 N LYS A 66 3.556 11.690 -2.824 1.00 0.00 N ATOM 922 CA LYS A 66 4.520 12.779 -2.923 1.00 0.00 C ATOM 923 C LYS A 66 4.575 13.576 -1.624 1.00 0.00 C ATOM 924 O LYS A 66 3.819 13.312 -0.690 1.00 0.00 O ATOM 925 CB LYS A 66 4.158 13.706 -4.086 1.00 0.00 C ATOM 926 CG LYS A 66 4.476 13.120 -5.451 1.00 0.00 C ATOM 927 CD LYS A 66 4.373 14.169 -6.546 1.00 0.00 C ATOM 928 CE LYS A 66 2.949 14.300 -7.061 1.00 0.00 C ATOM 929 NZ LYS A 66 2.873 15.169 -8.268 1.00 0.00 N ATOM 0 H LYS A 66 2.686 11.939 -2.353 1.00 0.00 H new ATOM 0 HA LYS A 66 5.503 12.344 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.094 13.937 -4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.695 14.648 -3.970 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.482 12.700 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.790 12.301 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.712 15.131 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.036 13.903 -7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.557 13.311 -7.300 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.315 14.713 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.886 15.233 -8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.223 16.120 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.457 14.762 -9.026 1.00 0.00 H new ATOM 943 N GLY A 67 5.476 14.553 -1.570 1.00 0.00 N ATOM 944 CA GLY A 67 5.612 15.374 -0.382 1.00 0.00 C ATOM 945 C GLY A 67 6.277 14.633 0.761 1.00 0.00 C ATOM 946 O GLY A 67 5.853 14.745 1.912 1.00 0.00 O ATOM 0 H GLY A 67 6.115 14.790 -2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.195 16.263 -0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.627 15.716 -0.065 1.00 0.00 H new ATOM 950 N LEU A 68 7.319 13.873 0.445 1.00 0.00 N ATOM 951 CA LEU A 68 8.043 13.109 1.454 1.00 0.00 C ATOM 952 C LEU A 68 9.382 13.764 1.776 1.00 0.00 C ATOM 953 O LEU A 68 9.743 14.785 1.189 1.00 0.00 O ATOM 954 CB LEU A 68 8.267 11.675 0.973 1.00 0.00 C ATOM 955 CG LEU A 68 7.057 10.980 0.348 1.00 0.00 C ATOM 956 CD1 LEU A 68 7.493 9.755 -0.441 1.00 0.00 C ATOM 957 CD2 LEU A 68 6.050 10.594 1.421 1.00 0.00 C ATOM 0 H LEU A 68 7.682 13.769 -0.503 1.00 0.00 H new ATOM 0 HA LEU A 68 7.440 13.091 2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.075 11.680 0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.607 11.078 1.819 1.00 0.00 H new ATOM 0 HG LEU A 68 6.577 11.677 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.618 9.274 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.176 10.058 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.998 9.055 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.196 10.101 0.958 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.519 9.915 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.713 11.490 1.943 1.00 0.00 H new ATOM 969 N SER A 69 10.117 13.170 2.711 1.00 0.00 N ATOM 970 CA SER A 69 11.416 13.696 3.113 1.00 0.00 C ATOM 971 C SER A 69 12.530 12.712 2.771 1.00 0.00 C ATOM 972 O SER A 69 12.373 11.495 2.879 1.00 0.00 O ATOM 973 CB SER A 69 11.428 13.996 4.613 1.00 0.00 C ATOM 974 OG SER A 69 10.780 15.226 4.891 1.00 0.00 O ATOM 0 H SER A 69 9.834 12.323 3.205 1.00 0.00 H new ATOM 0 HA SER A 69 11.590 14.621 2.564 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.932 13.189 5.153 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.457 14.034 4.972 1.00 0.00 H new ATOM 0 HG SER A 69 10.799 15.395 5.856 1.00 0.00 H new ATOM 980 N PRO A 70 13.685 13.249 2.350 1.00 0.00 N ATOM 981 CA PRO A 70 14.849 12.436 1.984 1.00 0.00 C ATOM 982 C PRO A 70 15.490 11.766 3.194 1.00 0.00 C ATOM 983 O PRO A 70 15.376 12.251 4.318 1.00 0.00 O ATOM 984 CB PRO A 70 15.811 13.455 1.365 1.00 0.00 C ATOM 985 CG PRO A 70 15.428 14.758 1.975 1.00 0.00 C ATOM 986 CD PRO A 70 13.943 14.691 2.197 1.00 0.00 C ATOM 0 HA PRO A 70 14.582 11.619 1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 70 16.849 13.204 1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 70 15.714 13.482 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 70 15.956 14.919 2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 70 15.687 15.588 1.317 1.00 0.00 H new ATOM 0 HD2 PRO A 70 13.644 15.249 3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 70 13.392 15.111 1.356 1.00 0.00 H new ATOM 994 N ALA A 71 16.165 10.645 2.955 1.00 0.00 N ATOM 995 CA ALA A 71 16.826 9.909 4.024 1.00 0.00 C ATOM 996 C ALA A 71 15.861 9.618 5.169 1.00 0.00 C ATOM 997 O ALA A 71 16.139 9.936 6.325 1.00 0.00 O ATOM 998 CB ALA A 71 18.031 10.685 4.532 1.00 0.00 C ATOM 0 H ALA A 71 16.268 10.228 2.030 1.00 0.00 H new ATOM 0 HA ALA A 71 17.166 8.956 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 71 18.515 10.123 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 71 18.737 10.837 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 71 17.706 11.652 4.915 1.00 0.00 H new ATOM 1004 N THR A 72 14.724 9.013 4.839 1.00 0.00 N ATOM 1005 CA THR A 72 13.717 8.680 5.839 1.00 0.00 C ATOM 1006 C THR A 72 13.047 7.348 5.524 1.00 0.00 C ATOM 1007 O THR A 72 12.824 7.012 4.360 1.00 0.00 O ATOM 1008 CB THR A 72 12.636 9.775 5.932 1.00 0.00 C ATOM 1009 OG1 THR A 72 13.251 11.054 6.120 1.00 0.00 O ATOM 1010 CG2 THR A 72 11.679 9.492 7.080 1.00 0.00 C ATOM 0 H THR A 72 14.478 8.744 3.887 1.00 0.00 H new ATOM 0 HA THR A 72 14.234 8.606 6.796 1.00 0.00 H new ATOM 0 HB THR A 72 12.070 9.778 5.000 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.558 11.745 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.925 10.277 7.127 1.00 0.00 H new ATOM 0 HG22 THR A 72 11.192 8.530 6.919 1.00 0.00 H new ATOM 0 HG23 THR A 72 12.234 9.465 8.018 1.00 0.00 H new ATOM 1018 N THR A 73 12.730 6.589 6.568 1.00 0.00 N ATOM 1019 CA THR A 73 12.086 5.292 6.403 1.00 0.00 C ATOM 1020 C THR A 73 10.571 5.436 6.317 1.00 0.00 C ATOM 1021 O THR A 73 9.991 6.351 6.902 1.00 0.00 O ATOM 1022 CB THR A 73 12.435 4.340 7.563 1.00 0.00 C ATOM 1023 OG1 THR A 73 13.806 4.510 7.941 1.00 0.00 O ATOM 1024 CG2 THR A 73 12.188 2.892 7.168 1.00 0.00 C ATOM 0 H THR A 73 12.909 6.850 7.538 1.00 0.00 H new ATOM 0 HA THR A 73 12.461 4.870 5.471 1.00 0.00 H new ATOM 0 HB THR A 73 11.793 4.583 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.019 3.903 8.680 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.442 2.239 8.003 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.137 2.759 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.808 2.639 6.308 1.00 0.00 H new ATOM 1032 N TYR A 74 9.935 4.528 5.587 1.00 0.00 N ATOM 1033 CA TYR A 74 8.487 4.554 5.423 1.00 0.00 C ATOM 1034 C TYR A 74 7.914 3.141 5.403 1.00 0.00 C ATOM 1035 O TYR A 74 8.650 2.162 5.282 1.00 0.00 O ATOM 1036 CB TYR A 74 8.112 5.288 4.134 1.00 0.00 C ATOM 1037 CG TYR A 74 8.595 6.720 4.090 1.00 0.00 C ATOM 1038 CD1 TYR A 74 7.811 7.754 4.586 1.00 0.00 C ATOM 1039 CD2 TYR A 74 9.834 7.040 3.550 1.00 0.00 C ATOM 1040 CE1 TYR A 74 8.248 9.064 4.548 1.00 0.00 C ATOM 1041 CE2 TYR A 74 10.280 8.346 3.508 1.00 0.00 C ATOM 1042 CZ TYR A 74 9.483 9.356 4.008 1.00 0.00 C ATOM 1043 OH TYR A 74 9.923 10.658 3.966 1.00 0.00 O ATOM 0 H TYR A 74 10.400 3.763 5.098 1.00 0.00 H new ATOM 0 HA TYR A 74 8.061 5.086 6.273 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.527 4.747 3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 74 7.028 5.275 4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.843 7.530 5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.460 6.253 3.156 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.626 9.855 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.247 8.576 3.086 1.00 0.00 H new ATOM 0 HH TYR A 74 10.791 10.695 3.513 1.00 0.00 H new ATOM 1053 N TYR A 75 6.594 3.043 5.521 1.00 0.00 N ATOM 1054 CA TYR A 75 5.921 1.750 5.518 1.00 0.00 C ATOM 1055 C TYR A 75 4.515 1.870 4.937 1.00 0.00 C ATOM 1056 O TYR A 75 3.863 2.906 5.068 1.00 0.00 O ATOM 1057 CB TYR A 75 5.852 1.184 6.937 1.00 0.00 C ATOM 1058 CG TYR A 75 7.208 0.985 7.577 1.00 0.00 C ATOM 1059 CD1 TYR A 75 7.921 -0.192 7.387 1.00 0.00 C ATOM 1060 CD2 TYR A 75 7.775 1.975 8.370 1.00 0.00 C ATOM 1061 CE1 TYR A 75 9.160 -0.378 7.970 1.00 0.00 C ATOM 1062 CE2 TYR A 75 9.013 1.798 8.955 1.00 0.00 C ATOM 1063 CZ TYR A 75 9.702 0.620 8.752 1.00 0.00 C ATOM 1064 OH TYR A 75 10.936 0.439 9.334 1.00 0.00 O ATOM 0 H TYR A 75 5.970 3.843 5.620 1.00 0.00 H new ATOM 0 HA TYR A 75 6.497 1.070 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.261 1.857 7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.327 0.229 6.913 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.500 -0.975 6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.238 2.898 8.531 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.701 -1.300 7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 75 9.440 2.578 9.568 1.00 0.00 H new ATOM 0 HH TYR A 75 11.174 1.237 9.851 1.00 0.00 H new ATOM 1074 N CYS A 76 4.054 0.801 4.296 1.00 0.00 N ATOM 1075 CA CYS A 76 2.726 0.783 3.694 1.00 0.00 C ATOM 1076 C CYS A 76 2.112 -0.610 3.770 1.00 0.00 C ATOM 1077 O CYS A 76 2.823 -1.606 3.910 1.00 0.00 O ATOM 1078 CB CYS A 76 2.798 1.244 2.237 1.00 0.00 C ATOM 1079 SG CYS A 76 3.197 -0.075 1.066 1.00 0.00 S ATOM 0 H CYS A 76 4.581 -0.065 4.180 1.00 0.00 H new ATOM 0 HA CYS A 76 2.091 1.470 4.254 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.841 1.685 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 76 3.548 2.030 2.152 1.00 0.00 H new ATOM 0 HG CYS A 76 3.233 0.411 -0.139 1.00 0.00 H new ATOM 1085 N ARG A 77 0.788 -0.674 3.680 1.00 0.00 N ATOM 1086 CA ARG A 77 0.078 -1.946 3.742 1.00 0.00 C ATOM 1087 C ARG A 77 -1.241 -1.870 2.979 1.00 0.00 C ATOM 1088 O ARG A 77 -2.052 -0.971 3.206 1.00 0.00 O ATOM 1089 CB ARG A 77 -0.185 -2.337 5.197 1.00 0.00 C ATOM 1090 CG ARG A 77 -0.987 -1.303 5.971 1.00 0.00 C ATOM 1091 CD ARG A 77 -1.221 -1.741 7.408 1.00 0.00 C ATOM 1092 NE ARG A 77 -1.332 -0.602 8.315 1.00 0.00 N ATOM 1093 CZ ARG A 77 -1.734 -0.705 9.578 1.00 0.00 C ATOM 1094 NH1 ARG A 77 -2.060 -1.888 10.079 1.00 0.00 N ATOM 1095 NH2 ARG A 77 -1.809 0.378 10.341 1.00 0.00 N ATOM 0 H ARG A 77 0.185 0.140 3.564 1.00 0.00 H new ATOM 0 HA ARG A 77 0.705 -2.706 3.276 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -0.718 -3.288 5.218 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.769 -2.495 5.700 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.459 -0.350 5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -1.946 -1.141 5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.132 -2.337 7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.401 -2.382 7.730 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.088 0.323 7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.003 -2.722 9.495 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.368 -1.964 11.048 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.558 1.290 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -2.117 0.299 11.310 1.00 0.00 H new ATOM 1109 N VAL A 78 -1.449 -2.819 2.071 1.00 0.00 N ATOM 1110 CA VAL A 78 -2.669 -2.860 1.274 1.00 0.00 C ATOM 1111 C VAL A 78 -3.462 -4.132 1.549 1.00 0.00 C ATOM 1112 O VAL A 78 -2.888 -5.200 1.762 1.00 0.00 O ATOM 1113 CB VAL A 78 -2.358 -2.778 -0.233 1.00 0.00 C ATOM 1114 CG1 VAL A 78 -1.473 -3.938 -0.660 1.00 0.00 C ATOM 1115 CG2 VAL A 78 -3.646 -2.754 -1.042 1.00 0.00 C ATOM 0 H VAL A 78 -0.788 -3.569 1.869 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.265 -1.994 1.562 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.818 -1.851 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.264 -3.863 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.536 -3.905 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.983 -4.879 -0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.408 -2.696 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.215 -3.663 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.240 -1.886 -0.755 1.00 0.00 H new ATOM 1125 N GLN A 79 -4.786 -4.010 1.543 1.00 0.00 N ATOM 1126 CA GLN A 79 -5.659 -5.151 1.793 1.00 0.00 C ATOM 1127 C GLN A 79 -6.862 -5.131 0.856 1.00 0.00 C ATOM 1128 O GLN A 79 -7.159 -4.112 0.233 1.00 0.00 O ATOM 1129 CB GLN A 79 -6.130 -5.150 3.248 1.00 0.00 C ATOM 1130 CG GLN A 79 -7.265 -4.176 3.519 1.00 0.00 C ATOM 1131 CD GLN A 79 -7.758 -4.238 4.952 1.00 0.00 C ATOM 1132 OE1 GLN A 79 -8.895 -4.891 5.158 1.00 0.00 O flip ATOM 1133 NE2 GLN A 79 -7.123 -3.704 5.862 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.277 -3.133 1.368 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.090 -6.061 1.604 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.453 -6.156 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.288 -4.902 3.894 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.930 -3.163 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.093 -4.392 2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.253 -3.212 5.657 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.467 -3.753 6.821 1.00 0.00 H new ATOM 1142 N ALA A 80 -7.550 -6.265 0.760 1.00 0.00 N ATOM 1143 CA ALA A 80 -8.722 -6.377 -0.100 1.00 0.00 C ATOM 1144 C ALA A 80 -10.005 -6.414 0.724 1.00 0.00 C ATOM 1145 O ALA A 80 -10.133 -7.207 1.658 1.00 0.00 O ATOM 1146 CB ALA A 80 -8.618 -7.617 -0.974 1.00 0.00 C ATOM 0 H ALA A 80 -7.316 -7.118 1.267 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.758 -5.496 -0.741 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.500 -7.688 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.725 -7.550 -1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.554 -8.503 -0.342 1.00 0.00 H new ATOM 1152 N LEU A 81 -10.952 -5.551 0.373 1.00 0.00 N ATOM 1153 CA LEU A 81 -12.227 -5.485 1.080 1.00 0.00 C ATOM 1154 C LEU A 81 -13.320 -6.209 0.301 1.00 0.00 C ATOM 1155 O LEU A 81 -13.267 -6.300 -0.925 1.00 0.00 O ATOM 1156 CB LEU A 81 -12.629 -4.027 1.309 1.00 0.00 C ATOM 1157 CG LEU A 81 -12.010 -3.344 2.530 1.00 0.00 C ATOM 1158 CD1 LEU A 81 -10.695 -2.676 2.159 1.00 0.00 C ATOM 1159 CD2 LEU A 81 -12.979 -2.329 3.121 1.00 0.00 C ATOM 0 H LEU A 81 -10.862 -4.887 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.106 -5.979 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.361 -3.453 0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.714 -3.981 1.403 1.00 0.00 H new ATOM 0 HG LEU A 81 -11.807 -4.104 3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.270 -2.196 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.999 -3.426 1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.872 -1.927 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -12.523 -1.853 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.214 -1.572 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -13.895 -2.835 3.425 1.00 0.00 H new ATOM 1171 N SER A 82 -14.311 -6.723 1.022 1.00 0.00 N ATOM 1172 CA SER A 82 -15.417 -7.440 0.399 1.00 0.00 C ATOM 1173 C SER A 82 -16.744 -7.073 1.057 1.00 0.00 C ATOM 1174 O SER A 82 -16.786 -6.263 1.983 1.00 0.00 O ATOM 1175 CB SER A 82 -15.190 -8.951 0.492 1.00 0.00 C ATOM 1176 OG SER A 82 -14.814 -9.329 1.805 1.00 0.00 O ATOM 0 H SER A 82 -14.371 -6.656 2.038 1.00 0.00 H new ATOM 0 HA SER A 82 -15.460 -7.149 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 82 -16.100 -9.477 0.205 1.00 0.00 H new ATOM 0 HB3 SER A 82 -14.414 -9.250 -0.212 1.00 0.00 H new ATOM 0 HG SER A 82 -14.957 -8.576 2.416 1.00 0.00 H new ATOM 1182 N VAL A 83 -17.825 -7.675 0.572 1.00 0.00 N ATOM 1183 CA VAL A 83 -19.153 -7.413 1.113 1.00 0.00 C ATOM 1184 C VAL A 83 -19.506 -8.410 2.212 1.00 0.00 C ATOM 1185 O VAL A 83 -20.604 -8.376 2.766 1.00 0.00 O ATOM 1186 CB VAL A 83 -20.230 -7.475 0.013 1.00 0.00 C ATOM 1187 CG1 VAL A 83 -20.169 -6.233 -0.863 1.00 0.00 C ATOM 1188 CG2 VAL A 83 -20.065 -8.736 -0.822 1.00 0.00 C ATOM 0 H VAL A 83 -17.807 -8.348 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.131 -6.407 1.533 1.00 0.00 H new ATOM 0 HB VAL A 83 -21.210 -7.507 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -20.937 -6.294 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -20.339 -5.347 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -19.187 -6.167 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -20.834 -8.764 -1.594 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -19.080 -8.736 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -20.163 -9.612 -0.181 1.00 0.00 H new ATOM 1198 N VAL A 84 -18.567 -9.298 2.521 1.00 0.00 N ATOM 1199 CA VAL A 84 -18.777 -10.305 3.554 1.00 0.00 C ATOM 1200 C VAL A 84 -17.716 -10.205 4.644 1.00 0.00 C ATOM 1201 O VAL A 84 -17.732 -10.963 5.612 1.00 0.00 O ATOM 1202 CB VAL A 84 -18.758 -11.727 2.964 1.00 0.00 C ATOM 1203 CG1 VAL A 84 -17.329 -12.225 2.815 1.00 0.00 C ATOM 1204 CG2 VAL A 84 -19.574 -12.675 3.831 1.00 0.00 C ATOM 0 H VAL A 84 -17.653 -9.341 2.070 1.00 0.00 H new ATOM 0 HA VAL A 84 -19.758 -10.112 3.988 1.00 0.00 H new ATOM 0 HB VAL A 84 -19.211 -11.696 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.336 -13.231 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.779 -11.559 2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.846 -12.242 3.792 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -19.549 -13.675 3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -19.152 -12.703 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -20.606 -12.326 3.880 1.00 0.00 H new ATOM 1214 N GLY A 85 -16.794 -9.261 4.479 1.00 0.00 N ATOM 1215 CA GLY A 85 -15.736 -9.078 5.456 1.00 0.00 C ATOM 1216 C GLY A 85 -14.586 -8.251 4.918 1.00 0.00 C ATOM 1217 O GLY A 85 -14.728 -7.562 3.908 1.00 0.00 O ATOM 0 H GLY A 85 -16.761 -8.620 3.686 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.144 -8.593 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -15.363 -10.053 5.769 1.00 0.00 H new ATOM 1221 N ALA A 86 -13.444 -8.317 5.595 1.00 0.00 N ATOM 1222 CA ALA A 86 -12.265 -7.567 5.179 1.00 0.00 C ATOM 1223 C ALA A 86 -11.007 -8.424 5.281 1.00 0.00 C ATOM 1224 O ALA A 86 -10.672 -8.925 6.353 1.00 0.00 O ATOM 1225 CB ALA A 86 -12.117 -6.307 6.017 1.00 0.00 C ATOM 0 H ALA A 86 -13.310 -8.882 6.434 1.00 0.00 H new ATOM 0 HA ALA A 86 -12.396 -7.281 4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.232 -5.758 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -13.000 -5.680 5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -12.013 -6.579 7.067 1.00 0.00 H new ATOM 1231 N GLY A 87 -10.314 -8.586 4.158 1.00 0.00 N ATOM 1232 CA GLY A 87 -9.101 -9.383 4.142 1.00 0.00 C ATOM 1233 C GLY A 87 -8.011 -8.796 5.018 1.00 0.00 C ATOM 1234 O GLY A 87 -8.069 -7.635 5.422 1.00 0.00 O ATOM 0 H GLY A 87 -10.571 -8.179 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.329 -10.394 4.480 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -8.736 -9.464 3.118 1.00 0.00 H new ATOM 1238 N PRO A 88 -6.991 -9.611 5.325 1.00 0.00 N ATOM 1239 CA PRO A 88 -5.865 -9.188 6.162 1.00 0.00 C ATOM 1240 C PRO A 88 -4.971 -8.172 5.461 1.00 0.00 C ATOM 1241 O PRO A 88 -5.205 -7.818 4.304 1.00 0.00 O ATOM 1242 CB PRO A 88 -5.100 -10.490 6.412 1.00 0.00 C ATOM 1243 CG PRO A 88 -5.446 -11.360 5.254 1.00 0.00 C ATOM 1244 CD PRO A 88 -6.858 -11.007 4.877 1.00 0.00 C ATOM 0 HA PRO A 88 -6.199 -8.692 7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.026 -10.314 6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -5.397 -10.949 7.355 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.765 -11.189 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.365 -12.414 5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.023 -11.102 3.804 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.580 -11.658 5.370 1.00 0.00 H new ATOM 1252 N PHE A 89 -3.947 -7.705 6.167 1.00 0.00 N ATOM 1253 CA PHE A 89 -3.017 -6.728 5.611 1.00 0.00 C ATOM 1254 C PHE A 89 -1.773 -7.414 5.057 1.00 0.00 C ATOM 1255 O PHE A 89 -1.149 -8.233 5.733 1.00 0.00 O ATOM 1256 CB PHE A 89 -2.618 -5.708 6.680 1.00 0.00 C ATOM 1257 CG PHE A 89 -3.533 -4.519 6.746 1.00 0.00 C ATOM 1258 CD1 PHE A 89 -3.635 -3.645 5.676 1.00 0.00 C ATOM 1259 CD2 PHE A 89 -4.292 -4.276 7.880 1.00 0.00 C ATOM 1260 CE1 PHE A 89 -4.476 -2.551 5.735 1.00 0.00 C ATOM 1261 CE2 PHE A 89 -5.135 -3.182 7.945 1.00 0.00 C ATOM 1262 CZ PHE A 89 -5.228 -2.319 6.871 1.00 0.00 C ATOM 0 H PHE A 89 -3.740 -7.987 7.125 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.518 -6.211 4.793 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.604 -6.200 7.653 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.603 -5.364 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.050 -3.821 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.224 -4.949 8.722 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.546 -1.877 4.894 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.720 -3.003 8.835 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.887 -1.465 6.919 1.00 0.00 H new ATOM 1272 N SER A 90 -1.417 -7.076 3.822 1.00 0.00 N ATOM 1273 CA SER A 90 -0.251 -7.662 3.174 1.00 0.00 C ATOM 1274 C SER A 90 1.007 -7.426 4.003 1.00 0.00 C ATOM 1275 O SER A 90 0.960 -6.786 5.053 1.00 0.00 O ATOM 1276 CB SER A 90 -0.070 -7.075 1.772 1.00 0.00 C ATOM 1277 OG SER A 90 0.133 -5.674 1.830 1.00 0.00 O ATOM 0 H SER A 90 -1.921 -6.398 3.250 1.00 0.00 H new ATOM 0 HA SER A 90 -0.414 -8.737 3.091 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.781 -7.549 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.949 -7.294 1.166 1.00 0.00 H new ATOM 0 HG SER A 90 0.818 -5.415 1.178 1.00 0.00 H new ATOM 1283 N GLU A 91 2.133 -7.947 3.522 1.00 0.00 N ATOM 1284 CA GLU A 91 3.404 -7.793 4.220 1.00 0.00 C ATOM 1285 C GLU A 91 3.906 -6.355 4.126 1.00 0.00 C ATOM 1286 O GLU A 91 4.163 -5.846 3.035 1.00 0.00 O ATOM 1287 CB GLU A 91 4.448 -8.749 3.639 1.00 0.00 C ATOM 1288 CG GLU A 91 4.444 -10.123 4.287 1.00 0.00 C ATOM 1289 CD GLU A 91 4.948 -10.093 5.718 1.00 0.00 C ATOM 1290 OE1 GLU A 91 4.251 -9.520 6.582 1.00 0.00 O ATOM 1291 OE2 GLU A 91 6.039 -10.645 5.973 1.00 0.00 O ATOM 0 H GLU A 91 2.190 -8.478 2.653 1.00 0.00 H new ATOM 0 HA GLU A 91 3.245 -8.035 5.271 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.270 -8.861 2.569 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.437 -8.306 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.431 -10.526 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.066 -10.799 3.700 1.00 0.00 H new ATOM 1298 N VAL A 92 4.042 -5.705 5.278 1.00 0.00 N ATOM 1299 CA VAL A 92 4.514 -4.327 5.326 1.00 0.00 C ATOM 1300 C VAL A 92 5.769 -4.145 4.480 1.00 0.00 C ATOM 1301 O VAL A 92 6.806 -4.752 4.750 1.00 0.00 O ATOM 1302 CB VAL A 92 4.814 -3.887 6.771 1.00 0.00 C ATOM 1303 CG1 VAL A 92 5.377 -2.475 6.794 1.00 0.00 C ATOM 1304 CG2 VAL A 92 3.560 -3.984 7.628 1.00 0.00 C ATOM 0 H VAL A 92 3.832 -6.111 6.190 1.00 0.00 H new ATOM 0 HA VAL A 92 3.715 -3.705 4.923 1.00 0.00 H new ATOM 0 HB VAL A 92 5.565 -4.558 7.188 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.583 -2.182 7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.301 -2.442 6.216 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.652 -1.787 6.359 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.790 -3.669 8.646 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.786 -3.338 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.205 -5.015 7.638 1.00 0.00 H new ATOM 1314 N VAL A 93 5.668 -3.303 3.456 1.00 0.00 N ATOM 1315 CA VAL A 93 6.797 -3.039 2.570 1.00 0.00 C ATOM 1316 C VAL A 93 7.563 -1.798 3.013 1.00 0.00 C ATOM 1317 O VAL A 93 7.128 -0.671 2.780 1.00 0.00 O ATOM 1318 CB VAL A 93 6.335 -2.852 1.114 1.00 0.00 C ATOM 1319 CG1 VAL A 93 7.529 -2.626 0.199 1.00 0.00 C ATOM 1320 CG2 VAL A 93 5.520 -4.053 0.654 1.00 0.00 C ATOM 0 H VAL A 93 4.817 -2.792 3.219 1.00 0.00 H new ATOM 0 HA VAL A 93 7.454 -3.907 2.626 1.00 0.00 H new ATOM 0 HB VAL A 93 5.698 -1.969 1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.182 -2.496 -0.826 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.067 -1.733 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.195 -3.487 0.250 1.00 0.00 H new ATOM 0 HG21 VAL A 93 5.202 -3.903 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.131 -4.953 0.718 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.643 -4.163 1.292 1.00 0.00 H new ATOM 1330 N ALA A 94 8.709 -2.013 3.652 1.00 0.00 N ATOM 1331 CA ALA A 94 9.538 -0.912 4.125 1.00 0.00 C ATOM 1332 C ALA A 94 10.413 -0.363 3.003 1.00 0.00 C ATOM 1333 O ALA A 94 10.805 -1.096 2.094 1.00 0.00 O ATOM 1334 CB ALA A 94 10.399 -1.364 5.295 1.00 0.00 C ATOM 0 H ALA A 94 9.084 -2.940 3.854 1.00 0.00 H new ATOM 0 HA ALA A 94 8.879 -0.112 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.013 -0.531 5.638 1.00 0.00 H new ATOM 0 HB2 ALA A 94 9.758 -1.702 6.109 1.00 0.00 H new ATOM 0 HB3 ALA A 94 11.044 -2.183 4.977 1.00 0.00 H new ATOM 1340 N CYS A 95 10.715 0.929 3.073 1.00 0.00 N ATOM 1341 CA CYS A 95 11.543 1.577 2.061 1.00 0.00 C ATOM 1342 C CYS A 95 12.112 2.892 2.585 1.00 0.00 C ATOM 1343 O CYS A 95 11.421 3.652 3.264 1.00 0.00 O ATOM 1344 CB CYS A 95 10.729 1.828 0.791 1.00 0.00 C ATOM 1345 SG CYS A 95 9.563 3.203 0.922 1.00 0.00 S ATOM 0 H CYS A 95 10.399 1.548 3.819 1.00 0.00 H new ATOM 0 HA CYS A 95 12.374 0.912 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 95 11.414 2.024 -0.034 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.178 0.921 0.540 1.00 0.00 H new ATOM 0 HG CYS A 95 9.944 4.006 1.871 1.00 0.00 H new ATOM 1351 N VAL A 96 13.375 3.152 2.265 1.00 0.00 N ATOM 1352 CA VAL A 96 14.037 4.375 2.703 1.00 0.00 C ATOM 1353 C VAL A 96 14.323 5.298 1.524 1.00 0.00 C ATOM 1354 O VAL A 96 14.916 4.886 0.527 1.00 0.00 O ATOM 1355 CB VAL A 96 15.359 4.068 3.432 1.00 0.00 C ATOM 1356 CG1 VAL A 96 16.103 5.355 3.756 1.00 0.00 C ATOM 1357 CG2 VAL A 96 15.095 3.263 4.696 1.00 0.00 C ATOM 0 H VAL A 96 13.960 2.533 1.704 1.00 0.00 H new ATOM 0 HA VAL A 96 13.356 4.873 3.394 1.00 0.00 H new ATOM 0 HB VAL A 96 15.987 3.470 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.034 5.117 4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 96 16.325 5.889 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 96 15.484 5.982 4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.039 3.055 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.447 3.833 5.362 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.609 2.323 4.434 1.00 0.00 H new ATOM 1367 N THR A 97 13.898 6.553 1.644 1.00 0.00 N ATOM 1368 CA THR A 97 14.108 7.534 0.588 1.00 0.00 C ATOM 1369 C THR A 97 15.573 7.947 0.503 1.00 0.00 C ATOM 1370 O THR A 97 16.300 7.950 1.495 1.00 0.00 O ATOM 1371 CB THR A 97 13.244 8.792 0.811 1.00 0.00 C ATOM 1372 OG1 THR A 97 13.240 9.143 2.199 1.00 0.00 O ATOM 1373 CG2 THR A 97 11.819 8.559 0.336 1.00 0.00 C ATOM 0 H THR A 97 13.407 6.913 2.462 1.00 0.00 H new ATOM 0 HA THR A 97 13.813 7.059 -0.348 1.00 0.00 H new ATOM 0 HB THR A 97 13.673 9.610 0.232 1.00 0.00 H new ATOM 0 HG1 THR A 97 12.967 10.079 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 97 11.228 9.459 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.824 8.321 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.381 7.729 0.891 1.00 0.00 H new ATOM 1381 N PRO A 98 16.018 8.305 -0.711 1.00 0.00 N ATOM 1382 CA PRO A 98 17.401 8.727 -0.953 1.00 0.00 C ATOM 1383 C PRO A 98 17.710 10.085 -0.331 1.00 0.00 C ATOM 1384 O PRO A 98 16.852 10.963 -0.241 1.00 0.00 O ATOM 1385 CB PRO A 98 17.485 8.807 -2.479 1.00 0.00 C ATOM 1386 CG PRO A 98 16.083 9.049 -2.924 1.00 0.00 C ATOM 1387 CD PRO A 98 15.206 8.326 -1.939 1.00 0.00 C ATOM 0 HA PRO A 98 18.121 8.040 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 98 18.146 9.613 -2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 98 17.881 7.884 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 98 15.857 10.115 -2.939 1.00 0.00 H new ATOM 0 HG3 PRO A 98 15.924 8.675 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 98 14.260 8.845 -1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 98 14.965 7.319 -2.279 1.00 0.00 H new ATOM 1395 N PRO A 99 18.965 10.263 0.108 1.00 0.00 N ATOM 1396 CA PRO A 99 19.416 11.512 0.728 1.00 0.00 C ATOM 1397 C PRO A 99 19.499 12.660 -0.273 1.00 0.00 C ATOM 1398 O PRO A 99 19.979 12.485 -1.393 1.00 0.00 O ATOM 1399 CB PRO A 99 20.809 11.162 1.257 1.00 0.00 C ATOM 1400 CG PRO A 99 21.272 10.041 0.392 1.00 0.00 C ATOM 1401 CD PRO A 99 20.040 9.260 0.032 1.00 0.00 C ATOM 0 HA PRO A 99 18.726 11.857 1.498 1.00 0.00 H new ATOM 0 HB2 PRO A 99 21.483 12.016 1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 99 20.771 10.864 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 99 21.770 10.418 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 99 21.992 9.414 0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 99 20.116 8.827 -0.966 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.870 8.436 0.725 1.00 0.00 H new ATOM 1409 N SER A 100 19.030 13.833 0.139 1.00 0.00 N ATOM 1410 CA SER A 100 19.048 15.008 -0.723 1.00 0.00 C ATOM 1411 C SER A 100 20.215 15.925 -0.368 1.00 0.00 C ATOM 1412 O SER A 100 20.444 16.234 0.801 1.00 0.00 O ATOM 1413 CB SER A 100 17.730 15.775 -0.604 1.00 0.00 C ATOM 1414 OG SER A 100 17.530 16.622 -1.723 1.00 0.00 O ATOM 0 H SER A 100 18.633 13.995 1.064 1.00 0.00 H new ATOM 0 HA SER A 100 19.173 14.670 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.902 15.071 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.732 16.369 0.310 1.00 0.00 H new ATOM 0 HG SER A 100 16.680 17.100 -1.624 1.00 0.00 H new