USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 666 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 76 ASN : amide:sc= -5.46! C(o=-6.4!,f=-13!) USER MOD Set 1.2: A 77 SER OG : rot -60:sc= -0.899! USER MOD Set 2.1: A 16 SER OG : rot 17:sc= 0.368 USER MOD Set 2.2: A 60 SER OG : rot 103:sc= -0.945 USER MOD Set 3.1: A 10 THR OG1 : rot -17:sc= 0.287 USER MOD Set 3.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -5.61! USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000534) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0272 USER MOD Single : A 9 MET CE :methyl -104:sc= -2.73 (180deg=-8.09!) USER MOD Single : A -1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -124:sc= 0.659 USER MOD Single : A 23 THR OG1 : rot 14:sc= 0.407! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00373 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= 0.222 (180deg=0.0855) USER MOD Single : A 38 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.15) USER MOD Single : A 41 SER OG : rot 46:sc= 0.714 USER MOD Single : A 42 THR OG1 : rot 67:sc= 0.625 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 46 HIS : no HE2:sc= -7.13! C(o=-7.1!,f=-11!) USER MOD Single : A 47 GLN : amide:sc= -6.27! C(o=-6.3!,f=-6.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 97:sc= 1.23 USER MOD Single : A 52 LYS NZ :NH3+ -125:sc= -0.0315 (180deg=-0.318) USER MOD Single : A 53 TYR OH : rot -158:sc= 0.251 USER MOD Single : A 54 LYS NZ :NH3+ 156:sc= -0.0854 (180deg=-0.868) USER MOD Single : A 55 SER OG : rot -58:sc= -3.25! USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.93! USER MOD Single : A 61 SER OG : rot 20:sc= 0.0895! USER MOD Single : A 69 ASN : amide:sc= -4.23! C(o=-4.2!,f=-13!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 81:sc= -1.64 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.69 K(o=-1.7,f=-2.7) USER MOD Single : A 86 THR OG1 : rot 35:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 81 N ALA A -1 18.878 0.807 6.711 1.00 0.00 N ATOM 82 CA ALA A -1 18.334 -0.457 6.160 1.00 0.00 C ATOM 83 C ALA A -1 16.943 -0.182 5.576 1.00 0.00 C ATOM 84 O ALA A -1 16.800 0.123 4.410 1.00 0.00 O ATOM 85 CB ALA A -1 18.261 -1.412 7.354 1.00 0.00 C ATOM 0 H1 ALA A -1 19.822 0.633 7.111 1.00 0.00 H new ATOM 0 H2 ALA A -1 18.948 1.515 5.952 1.00 0.00 H new ATOM 0 H3 ALA A -1 18.246 1.161 7.457 1.00 0.00 H new ATOM 0 HA ALA A -1 18.943 -0.880 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A -1 17.866 -2.374 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A -1 19.259 -1.552 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A -1 17.606 -0.991 8.117 1.00 0.00 H new ATOM 91 N ALA A 0 15.923 -0.263 6.380 1.00 0.00 N ATOM 92 CA ALA A 0 14.542 0.011 5.886 1.00 0.00 C ATOM 93 C ALA A 0 13.666 0.531 7.029 1.00 0.00 C ATOM 94 O ALA A 0 13.516 -0.114 8.048 1.00 0.00 O ATOM 95 CB ALA A 0 14.016 -1.333 5.381 1.00 0.00 C ATOM 0 H ALA A 0 15.985 -0.509 7.368 1.00 0.00 H new ATOM 0 HA ALA A 0 14.532 0.769 5.103 1.00 0.00 H new ATOM 0 HB1 ALA A 0 13.002 -1.208 5.002 1.00 0.00 H new ATOM 0 HB2 ALA A 0 14.660 -1.698 4.581 1.00 0.00 H new ATOM 0 HB3 ALA A 0 14.011 -2.053 6.200 1.00 0.00 H new ATOM 101 N ARG A 1 13.085 1.685 6.870 1.00 0.00 N ATOM 102 CA ARG A 1 12.216 2.236 7.950 1.00 0.00 C ATOM 103 C ARG A 1 11.123 3.113 7.339 1.00 0.00 C ATOM 104 O ARG A 1 11.372 3.902 6.449 1.00 0.00 O ATOM 105 CB ARG A 1 13.150 3.070 8.828 1.00 0.00 C ATOM 106 CG ARG A 1 13.850 4.129 7.974 1.00 0.00 C ATOM 107 CD ARG A 1 13.180 5.487 8.194 1.00 0.00 C ATOM 108 NE ARG A 1 14.301 6.426 8.480 1.00 0.00 N ATOM 109 CZ ARG A 1 14.056 7.692 8.681 1.00 0.00 C ATOM 110 NH1 ARG A 1 13.673 8.103 9.859 1.00 0.00 N ATOM 111 NH2 ARG A 1 14.196 8.547 7.705 1.00 0.00 N ATOM 0 H ARG A 1 13.173 2.272 6.040 1.00 0.00 H new ATOM 0 HA ARG A 1 11.717 1.454 8.523 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.583 3.549 9.626 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.889 2.426 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 1 14.906 4.185 8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.800 3.853 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 1 12.619 5.798 7.313 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.474 5.450 9.024 1.00 0.00 H new ATOM 0 HE ARG A 1 15.260 6.079 8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.565 7.435 10.622 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.481 9.092 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.497 8.226 6.785 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.004 9.536 7.862 1.00 0.00 H new ATOM 125 N ILE A 2 9.911 2.986 7.806 1.00 0.00 N ATOM 126 CA ILE A 2 8.817 3.818 7.239 1.00 0.00 C ATOM 127 C ILE A 2 8.710 5.139 8.000 1.00 0.00 C ATOM 128 O ILE A 2 8.603 5.179 9.209 1.00 0.00 O ATOM 129 CB ILE A 2 7.544 2.979 7.390 1.00 0.00 C ATOM 130 CG1 ILE A 2 7.646 1.764 6.459 1.00 0.00 C ATOM 131 CG2 ILE A 2 6.321 3.827 7.007 1.00 0.00 C ATOM 132 CD1 ILE A 2 6.307 1.019 6.399 1.00 0.00 C ATOM 0 H ILE A 2 9.634 2.346 8.551 1.00 0.00 H new ATOM 0 HA ILE A 2 8.993 4.077 6.195 1.00 0.00 H new ATOM 0 HB ILE A 2 7.434 2.647 8.422 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.934 2.088 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.427 1.092 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.416 3.229 7.115 1.00 0.00 H new ATOM 0 HG22 ILE A 2 6.262 4.697 7.662 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.417 4.157 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.398 0.160 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.036 0.677 7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.534 1.689 6.022 1.00 0.00 H new ATOM 144 N LEU A 3 8.744 6.218 7.277 1.00 0.00 N ATOM 145 CA LEU A 3 8.654 7.568 7.896 1.00 0.00 C ATOM 146 C LEU A 3 7.189 7.990 8.002 1.00 0.00 C ATOM 147 O LEU A 3 6.712 8.389 9.045 1.00 0.00 O ATOM 148 CB LEU A 3 9.409 8.457 6.912 1.00 0.00 C ATOM 149 CG LEU A 3 9.480 9.887 7.436 1.00 0.00 C ATOM 150 CD1 LEU A 3 10.882 10.437 7.178 1.00 0.00 C ATOM 151 CD2 LEU A 3 8.449 10.745 6.698 1.00 0.00 C ATOM 0 H LEU A 3 8.832 6.223 6.261 1.00 0.00 H new ATOM 0 HA LEU A 3 9.064 7.617 8.905 1.00 0.00 H new ATOM 0 HB2 LEU A 3 10.416 8.068 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.911 8.442 5.942 1.00 0.00 H new ATOM 0 HG LEU A 3 9.268 9.906 8.505 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.945 11.460 7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.616 9.818 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.086 10.426 6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.495 11.769 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.666 10.736 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.451 10.342 6.869 1.00 0.00 H new ATOM 163 N THR A 4 6.477 7.887 6.921 1.00 0.00 N ATOM 164 CA THR A 4 5.034 8.255 6.918 1.00 0.00 C ATOM 165 C THR A 4 4.236 7.146 6.237 1.00 0.00 C ATOM 166 O THR A 4 4.663 6.582 5.248 1.00 0.00 O ATOM 167 CB THR A 4 4.947 9.550 6.110 1.00 0.00 C ATOM 168 OG1 THR A 4 5.787 10.533 6.696 1.00 0.00 O ATOM 169 CG2 THR A 4 3.502 10.051 6.103 1.00 0.00 C ATOM 0 H THR A 4 6.836 7.559 6.025 1.00 0.00 H new ATOM 0 HA THR A 4 4.632 8.386 7.923 1.00 0.00 H new ATOM 0 HB THR A 4 5.271 9.361 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 4 5.732 11.362 6.177 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.440 10.974 5.527 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.858 9.297 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.177 10.239 7.126 1.00 0.00 H new ATOM 177 N LYS A 5 3.089 6.815 6.754 1.00 0.00 N ATOM 178 CA LYS A 5 2.286 5.736 6.130 1.00 0.00 C ATOM 179 C LYS A 5 1.074 6.333 5.398 1.00 0.00 C ATOM 180 O LYS A 5 0.878 7.532 5.407 1.00 0.00 O ATOM 181 CB LYS A 5 1.856 4.854 7.309 1.00 0.00 C ATOM 182 CG LYS A 5 0.890 5.624 8.214 1.00 0.00 C ATOM 183 CD LYS A 5 1.527 5.823 9.591 1.00 0.00 C ATOM 184 CE LYS A 5 0.641 6.744 10.433 1.00 0.00 C ATOM 185 NZ LYS A 5 -0.392 5.848 11.024 1.00 0.00 N ATOM 0 H LYS A 5 2.675 7.245 7.581 1.00 0.00 H new ATOM 0 HA LYS A 5 2.839 5.168 5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.377 3.947 6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.731 4.542 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.651 6.590 7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -0.048 5.077 8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.649 4.862 10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.522 6.255 9.485 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.219 7.247 11.209 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.185 7.522 9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.029 6.404 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.941 5.402 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.072 5.112 11.593 1.00 0.00 H new ATOM 199 N PRO A 6 0.305 5.475 4.780 1.00 0.00 N ATOM 200 CA PRO A 6 -0.885 5.916 4.031 1.00 0.00 C ATOM 201 C PRO A 6 -2.117 5.943 4.939 1.00 0.00 C ATOM 202 O PRO A 6 -2.205 5.210 5.905 1.00 0.00 O ATOM 203 CB PRO A 6 -1.028 4.845 2.955 1.00 0.00 C ATOM 204 CG PRO A 6 -0.340 3.620 3.499 1.00 0.00 C ATOM 205 CD PRO A 6 0.462 4.024 4.714 1.00 0.00 C ATOM 0 HA PRO A 6 -0.792 6.924 3.626 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.078 4.642 2.743 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.570 5.167 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.074 2.859 3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.312 3.183 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.088 3.541 5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.510 3.741 4.612 1.00 0.00 H new ATOM 213 N ARG A 7 -3.072 6.776 4.631 1.00 0.00 N ATOM 214 CA ARG A 7 -4.300 6.841 5.470 1.00 0.00 C ATOM 215 C ARG A 7 -5.338 5.845 4.945 1.00 0.00 C ATOM 216 O ARG A 7 -5.269 5.403 3.816 1.00 0.00 O ATOM 217 CB ARG A 7 -4.802 8.284 5.339 1.00 0.00 C ATOM 218 CG ARG A 7 -5.264 8.550 3.902 1.00 0.00 C ATOM 219 CD ARG A 7 -5.914 9.934 3.821 1.00 0.00 C ATOM 220 NE ARG A 7 -4.954 10.763 3.040 1.00 0.00 N ATOM 221 CZ ARG A 7 -5.184 11.024 1.780 1.00 0.00 C ATOM 222 NH1 ARG A 7 -5.917 10.215 1.065 1.00 0.00 N ATOM 223 NH2 ARG A 7 -4.676 12.096 1.235 1.00 0.00 N ATOM 0 H ARG A 7 -3.055 7.414 3.835 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.111 6.582 6.512 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.626 8.456 6.032 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.008 8.980 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -4.415 8.495 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.974 7.784 3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.886 9.886 3.329 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -6.080 10.351 4.814 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.115 11.128 3.490 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.313 9.376 1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -6.094 10.422 0.082 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -4.101 12.728 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.854 12.302 0.252 1.00 0.00 H new ATOM 237 N SER A 8 -6.291 5.480 5.754 1.00 0.00 N ATOM 238 CA SER A 8 -7.320 4.504 5.296 1.00 0.00 C ATOM 239 C SER A 8 -8.420 5.214 4.502 1.00 0.00 C ATOM 240 O SER A 8 -8.312 6.378 4.173 1.00 0.00 O ATOM 241 CB SER A 8 -7.888 3.900 6.579 1.00 0.00 C ATOM 242 OG SER A 8 -6.835 3.709 7.511 1.00 0.00 O ATOM 0 H SER A 8 -6.403 5.814 6.711 1.00 0.00 H new ATOM 0 HA SER A 8 -6.900 3.745 4.636 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.647 4.559 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.375 2.949 6.363 1.00 0.00 H new ATOM 0 HG SER A 8 -7.195 3.323 8.337 1.00 0.00 H new ATOM 248 N MET A 9 -9.475 4.513 4.193 1.00 0.00 N ATOM 249 CA MET A 9 -10.589 5.123 3.420 1.00 0.00 C ATOM 250 C MET A 9 -11.754 4.144 3.324 1.00 0.00 C ATOM 251 O MET A 9 -11.655 2.997 3.712 1.00 0.00 O ATOM 252 CB MET A 9 -10.016 5.388 2.038 1.00 0.00 C ATOM 253 CG MET A 9 -10.617 6.671 1.467 1.00 0.00 C ATOM 254 SD MET A 9 -10.100 8.087 2.470 1.00 0.00 S ATOM 255 CE MET A 9 -8.454 8.290 1.747 1.00 0.00 C ATOM 0 H MET A 9 -9.613 3.535 4.446 1.00 0.00 H new ATOM 0 HA MET A 9 -10.964 6.033 3.889 1.00 0.00 H new ATOM 0 HB2 MET A 9 -8.931 5.477 2.095 1.00 0.00 H new ATOM 0 HB3 MET A 9 -10.232 4.549 1.377 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.294 6.807 0.435 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.705 6.600 1.454 1.00 0.00 H new ATOM 0 HE1 MET A 9 -7.704 7.902 2.436 1.00 0.00 H new ATOM 0 HE2 MET A 9 -8.400 7.743 0.806 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.265 9.348 1.563 1.00 0.00 H new ATOM 265 N THR A 10 -12.855 4.589 2.808 1.00 0.00 N ATOM 266 CA THR A 10 -14.033 3.684 2.683 1.00 0.00 C ATOM 267 C THR A 10 -14.926 4.107 1.514 1.00 0.00 C ATOM 268 O THR A 10 -15.336 5.247 1.417 1.00 0.00 O ATOM 269 CB THR A 10 -14.779 3.830 4.009 1.00 0.00 C ATOM 270 OG1 THR A 10 -13.910 3.485 5.077 1.00 0.00 O ATOM 271 CG2 THR A 10 -15.995 2.903 4.017 1.00 0.00 C ATOM 0 H THR A 10 -12.997 5.539 2.465 1.00 0.00 H new ATOM 0 HA THR A 10 -13.737 2.654 2.485 1.00 0.00 H new ATOM 0 HB THR A 10 -15.112 4.861 4.129 1.00 0.00 H new ATOM 0 HG1 THR A 10 -13.147 2.978 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 10 -16.526 3.008 4.963 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.661 3.169 3.196 1.00 0.00 H new ATOM 0 HG23 THR A 10 -15.666 1.871 3.898 1.00 0.00 H new ATOM 279 N VAL A 11 -15.246 3.199 0.634 1.00 0.00 N ATOM 280 CA VAL A 11 -16.124 3.548 -0.507 1.00 0.00 C ATOM 281 C VAL A 11 -17.062 2.379 -0.795 1.00 0.00 C ATOM 282 O VAL A 11 -17.016 1.369 -0.128 1.00 0.00 O ATOM 283 CB VAL A 11 -15.176 3.785 -1.677 1.00 0.00 C ATOM 284 CG1 VAL A 11 -14.190 4.899 -1.321 1.00 0.00 C ATOM 285 CG2 VAL A 11 -14.406 2.503 -1.982 1.00 0.00 C ATOM 0 H VAL A 11 -14.934 2.228 0.660 1.00 0.00 H new ATOM 0 HA VAL A 11 -16.745 4.423 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 11 -15.754 4.078 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -13.513 5.067 -2.159 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -14.739 5.816 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -13.615 4.608 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -13.729 2.675 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -13.831 2.207 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.108 1.710 -2.240 1.00 0.00 H new ATOM 295 N TYR A 12 -17.900 2.493 -1.784 1.00 0.00 N ATOM 296 CA TYR A 12 -18.817 1.363 -2.107 1.00 0.00 C ATOM 297 C TYR A 12 -18.145 0.431 -3.110 1.00 0.00 C ATOM 298 O TYR A 12 -18.532 -0.708 -3.274 1.00 0.00 O ATOM 299 CB TYR A 12 -20.050 2.011 -2.727 1.00 0.00 C ATOM 300 CG TYR A 12 -21.274 1.557 -1.977 1.00 0.00 C ATOM 301 CD1 TYR A 12 -21.492 1.996 -0.668 1.00 0.00 C ATOM 302 CD2 TYR A 12 -22.186 0.689 -2.588 1.00 0.00 C ATOM 303 CE1 TYR A 12 -22.626 1.571 0.034 1.00 0.00 C ATOM 304 CE2 TYR A 12 -23.321 0.263 -1.887 1.00 0.00 C ATOM 305 CZ TYR A 12 -23.540 0.703 -0.576 1.00 0.00 C ATOM 306 OH TYR A 12 -24.659 0.282 0.115 1.00 0.00 O ATOM 0 H TYR A 12 -17.991 3.315 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 12 -19.073 0.770 -1.229 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -19.965 3.097 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -20.130 1.737 -3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -20.785 2.664 -0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -22.015 0.348 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -22.796 1.912 1.045 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -24.027 -0.405 -2.358 1.00 0.00 H new ATOM 0 HH TYR A 12 -25.189 -0.315 -0.453 1.00 0.00 H new ATOM 316 N GLU A 13 -17.140 0.912 -3.779 1.00 0.00 N ATOM 317 CA GLU A 13 -16.426 0.070 -4.769 1.00 0.00 C ATOM 318 C GLU A 13 -15.097 0.748 -5.139 1.00 0.00 C ATOM 319 O GLU A 13 -14.342 1.147 -4.276 1.00 0.00 O ATOM 320 CB GLU A 13 -17.377 -0.019 -5.965 1.00 0.00 C ATOM 321 CG GLU A 13 -17.675 1.388 -6.480 1.00 0.00 C ATOM 322 CD GLU A 13 -18.223 1.308 -7.906 1.00 0.00 C ATOM 323 OE1 GLU A 13 -17.588 0.670 -8.730 1.00 0.00 O ATOM 324 OE2 GLU A 13 -19.269 1.887 -8.152 1.00 0.00 O ATOM 0 H GLU A 13 -16.780 1.861 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.177 -0.924 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.929 -0.621 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.302 -0.515 -5.672 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.398 1.879 -5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.768 1.992 -6.462 1.00 0.00 H new ATOM 331 N GLY A 14 -14.792 0.874 -6.400 1.00 0.00 N ATOM 332 CA GLY A 14 -13.509 1.515 -6.795 1.00 0.00 C ATOM 333 C GLY A 14 -13.717 3.018 -6.969 1.00 0.00 C ATOM 334 O GLY A 14 -13.453 3.574 -8.016 1.00 0.00 O ATOM 0 H GLY A 14 -15.377 0.560 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.749 1.329 -6.036 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.144 1.078 -7.725 1.00 0.00 H new ATOM 338 N GLU A 15 -14.183 3.683 -5.950 1.00 0.00 N ATOM 339 CA GLU A 15 -14.395 5.152 -6.066 1.00 0.00 C ATOM 340 C GLU A 15 -13.085 5.828 -6.484 1.00 0.00 C ATOM 341 O GLU A 15 -12.811 5.992 -7.657 1.00 0.00 O ATOM 342 CB GLU A 15 -14.836 5.607 -4.673 1.00 0.00 C ATOM 343 CG GLU A 15 -16.353 5.817 -4.663 1.00 0.00 C ATOM 344 CD GLU A 15 -16.707 7.037 -5.516 1.00 0.00 C ATOM 345 OE1 GLU A 15 -15.812 7.813 -5.810 1.00 0.00 O ATOM 346 OE2 GLU A 15 -17.869 7.175 -5.861 1.00 0.00 O ATOM 0 H GLU A 15 -14.425 3.276 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.140 5.413 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.556 4.861 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.328 6.533 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -16.856 4.931 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.704 5.961 -3.641 1.00 0.00 H new ATOM 353 N SER A 16 -12.263 6.210 -5.542 1.00 0.00 N ATOM 354 CA SER A 16 -10.966 6.860 -5.902 1.00 0.00 C ATOM 355 C SER A 16 -10.200 7.268 -4.644 1.00 0.00 C ATOM 356 O SER A 16 -9.914 8.429 -4.428 1.00 0.00 O ATOM 357 CB SER A 16 -11.332 8.086 -6.735 1.00 0.00 C ATOM 358 OG SER A 16 -10.734 7.966 -8.018 1.00 0.00 O ATOM 0 H SER A 16 -12.432 6.101 -4.542 1.00 0.00 H new ATOM 0 HA SER A 16 -10.318 6.181 -6.456 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.415 8.168 -6.830 1.00 0.00 H new ATOM 0 HB3 SER A 16 -10.986 8.994 -6.241 1.00 0.00 H new ATOM 0 HG SER A 16 -10.470 7.035 -8.170 1.00 0.00 H new ATOM 364 N ALA A 17 -9.855 6.320 -3.818 1.00 0.00 N ATOM 365 CA ALA A 17 -9.094 6.653 -2.581 1.00 0.00 C ATOM 366 C ALA A 17 -7.591 6.603 -2.870 1.00 0.00 C ATOM 367 O ALA A 17 -7.065 5.586 -3.274 1.00 0.00 O ATOM 368 CB ALA A 17 -9.482 5.574 -1.572 1.00 0.00 C ATOM 0 H ALA A 17 -10.067 5.330 -3.945 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.319 7.653 -2.209 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.960 5.751 -0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.558 5.605 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -9.205 4.595 -1.962 1.00 0.00 H new ATOM 374 N ARG A 18 -6.900 7.693 -2.674 1.00 0.00 N ATOM 375 CA ARG A 18 -5.432 7.701 -2.944 1.00 0.00 C ATOM 376 C ARG A 18 -4.653 7.552 -1.633 1.00 0.00 C ATOM 377 O ARG A 18 -5.079 8.013 -0.593 1.00 0.00 O ATOM 378 CB ARG A 18 -5.151 9.061 -3.590 1.00 0.00 C ATOM 379 CG ARG A 18 -5.457 10.182 -2.592 1.00 0.00 C ATOM 380 CD ARG A 18 -6.290 11.266 -3.280 1.00 0.00 C ATOM 381 NE ARG A 18 -7.585 11.279 -2.547 1.00 0.00 N ATOM 382 CZ ARG A 18 -8.683 11.616 -3.167 1.00 0.00 C ATOM 383 NH1 ARG A 18 -8.683 12.625 -3.995 1.00 0.00 N ATOM 384 NH2 ARG A 18 -9.783 10.945 -2.959 1.00 0.00 N ATOM 0 H ARG A 18 -7.286 8.576 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.126 6.877 -3.589 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.109 9.116 -3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.761 9.182 -4.485 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.998 9.782 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.529 10.608 -2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.796 12.236 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.436 11.040 -4.336 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.615 11.024 -1.560 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.824 13.151 -4.158 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.542 12.888 -4.479 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.785 10.157 -2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.641 11.209 -3.444 1.00 0.00 H new ATOM 398 N PHE A 19 -3.518 6.908 -1.674 1.00 0.00 N ATOM 399 CA PHE A 19 -2.717 6.724 -0.423 1.00 0.00 C ATOM 400 C PHE A 19 -1.229 6.957 -0.691 1.00 0.00 C ATOM 401 O PHE A 19 -0.754 6.786 -1.795 1.00 0.00 O ATOM 402 CB PHE A 19 -2.939 5.264 -0.013 1.00 0.00 C ATOM 403 CG PHE A 19 -4.415 4.979 0.078 1.00 0.00 C ATOM 404 CD1 PHE A 19 -5.233 5.795 0.863 1.00 0.00 C ATOM 405 CD2 PHE A 19 -4.966 3.906 -0.629 1.00 0.00 C ATOM 406 CE1 PHE A 19 -6.604 5.540 0.941 1.00 0.00 C ATOM 407 CE2 PHE A 19 -6.337 3.649 -0.550 1.00 0.00 C ATOM 408 CZ PHE A 19 -7.158 4.466 0.234 1.00 0.00 C ATOM 0 H PHE A 19 -3.109 6.501 -2.515 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.022 7.429 0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.475 4.598 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.462 5.070 0.948 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.806 6.623 1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.332 3.276 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.237 6.171 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.763 2.819 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.218 4.269 0.294 1.00 0.00 H new ATOM 418 N SER A 20 -0.485 7.333 0.312 1.00 0.00 N ATOM 419 CA SER A 20 0.973 7.548 0.103 1.00 0.00 C ATOM 420 C SER A 20 1.753 7.310 1.391 1.00 0.00 C ATOM 421 O SER A 20 1.483 7.897 2.419 1.00 0.00 O ATOM 422 CB SER A 20 1.124 8.993 -0.342 1.00 0.00 C ATOM 423 OG SER A 20 2.440 9.441 -0.037 1.00 0.00 O ATOM 0 H SER A 20 -0.821 7.500 1.261 1.00 0.00 H new ATOM 0 HA SER A 20 1.367 6.852 -0.638 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.937 9.078 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.388 9.620 0.161 1.00 0.00 H new ATOM 0 HG SER A 20 2.543 10.373 -0.323 1.00 0.00 H new ATOM 429 N CYS A 21 2.740 6.477 1.322 1.00 0.00 N ATOM 430 CA CYS A 21 3.587 6.205 2.510 1.00 0.00 C ATOM 431 C CYS A 21 5.040 6.498 2.145 1.00 0.00 C ATOM 432 O CYS A 21 5.577 5.925 1.223 1.00 0.00 O ATOM 433 CB CYS A 21 3.392 4.723 2.815 1.00 0.00 C ATOM 434 SG CYS A 21 3.790 3.733 1.351 1.00 0.00 S ATOM 0 H CYS A 21 3.003 5.963 0.481 1.00 0.00 H new ATOM 0 HA CYS A 21 3.327 6.818 3.373 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.029 4.428 3.648 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.362 4.538 3.120 1.00 0.00 H new ATOM 0 HG CYS A 21 2.769 2.991 1.039 1.00 0.00 H new ATOM 440 N ASP A 22 5.680 7.393 2.834 1.00 0.00 N ATOM 441 CA ASP A 22 7.092 7.715 2.479 1.00 0.00 C ATOM 442 C ASP A 22 8.047 6.841 3.280 1.00 0.00 C ATOM 443 O ASP A 22 8.139 6.950 4.477 1.00 0.00 O ATOM 444 CB ASP A 22 7.273 9.185 2.839 1.00 0.00 C ATOM 445 CG ASP A 22 6.170 10.026 2.184 1.00 0.00 C ATOM 446 OD1 ASP A 22 5.396 9.469 1.420 1.00 0.00 O ATOM 447 OD2 ASP A 22 6.119 11.214 2.457 1.00 0.00 O ATOM 0 H ASP A 22 5.295 7.914 3.622 1.00 0.00 H new ATOM 0 HA ASP A 22 7.303 7.531 1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.242 9.309 3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.252 9.531 2.506 1.00 0.00 H new ATOM 452 N THR A 23 8.747 5.965 2.626 1.00 0.00 N ATOM 453 CA THR A 23 9.686 5.071 3.357 1.00 0.00 C ATOM 454 C THR A 23 11.133 5.346 2.947 1.00 0.00 C ATOM 455 O THR A 23 11.453 5.450 1.781 1.00 0.00 O ATOM 456 CB THR A 23 9.283 3.655 2.952 1.00 0.00 C ATOM 457 OG1 THR A 23 9.602 3.450 1.583 1.00 0.00 O ATOM 458 CG2 THR A 23 7.778 3.465 3.161 1.00 0.00 C ATOM 0 H THR A 23 8.712 5.827 1.616 1.00 0.00 H new ATOM 0 HA THR A 23 9.632 5.225 4.435 1.00 0.00 H new ATOM 0 HB THR A 23 9.823 2.935 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.197 4.165 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.495 2.453 2.871 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.534 3.623 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.232 4.184 2.550 1.00 0.00 H new ATOM 466 N ASP A 24 12.012 5.444 3.901 1.00 0.00 N ATOM 467 CA ASP A 24 13.444 5.695 3.573 1.00 0.00 C ATOM 468 C ASP A 24 14.255 4.420 3.797 1.00 0.00 C ATOM 469 O ASP A 24 13.795 3.489 4.423 1.00 0.00 O ATOM 470 CB ASP A 24 13.888 6.793 4.535 1.00 0.00 C ATOM 471 CG ASP A 24 13.621 8.163 3.908 1.00 0.00 C ATOM 472 OD1 ASP A 24 13.503 8.223 2.696 1.00 0.00 O ATOM 473 OD2 ASP A 24 13.541 9.127 4.650 1.00 0.00 O ATOM 0 H ASP A 24 11.803 5.361 4.896 1.00 0.00 H new ATOM 0 HA ASP A 24 13.589 5.990 2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.350 6.703 5.479 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.949 6.686 4.761 1.00 0.00 H new ATOM 478 N GLY A 25 15.456 4.365 3.296 1.00 0.00 N ATOM 479 CA GLY A 25 16.280 3.141 3.492 1.00 0.00 C ATOM 480 C GLY A 25 17.393 3.091 2.449 1.00 0.00 C ATOM 481 O GLY A 25 17.194 3.419 1.295 1.00 0.00 O ATOM 0 H GLY A 25 15.902 5.111 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.709 3.137 4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 25 15.653 2.253 3.410 1.00 0.00 H new ATOM 485 N GLU A 26 18.563 2.679 2.845 1.00 0.00 N ATOM 486 CA GLU A 26 19.695 2.601 1.874 1.00 0.00 C ATOM 487 C GLU A 26 19.916 1.138 1.441 1.00 0.00 C ATOM 488 O GLU A 26 19.819 0.248 2.263 1.00 0.00 O ATOM 489 CB GLU A 26 20.912 3.124 2.638 1.00 0.00 C ATOM 490 CG GLU A 26 22.129 3.144 1.711 1.00 0.00 C ATOM 491 CD GLU A 26 22.113 4.425 0.873 1.00 0.00 C ATOM 492 OE1 GLU A 26 21.468 5.373 1.289 1.00 0.00 O ATOM 493 OE2 GLU A 26 22.746 4.437 -0.170 1.00 0.00 O ATOM 0 H GLU A 26 18.788 2.392 3.798 1.00 0.00 H new ATOM 0 HA GLU A 26 19.506 3.179 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 26 20.713 4.127 3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 26 21.111 2.491 3.503 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.047 3.092 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.117 2.270 1.059 1.00 0.00 H new ATOM 500 N PRO A 27 20.205 0.911 0.168 1.00 0.00 N ATOM 501 CA PRO A 27 20.326 2.002 -0.843 1.00 0.00 C ATOM 502 C PRO A 27 18.956 2.574 -1.202 1.00 0.00 C ATOM 503 O PRO A 27 18.768 3.771 -1.269 1.00 0.00 O ATOM 504 CB PRO A 27 20.956 1.311 -2.049 1.00 0.00 C ATOM 505 CG PRO A 27 20.588 -0.129 -1.905 1.00 0.00 C ATOM 506 CD PRO A 27 20.453 -0.408 -0.430 1.00 0.00 C ATOM 0 HA PRO A 27 20.915 2.845 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 27 20.576 1.724 -2.983 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.038 1.443 -2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 27 19.653 -0.341 -2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 27 21.351 -0.768 -2.349 1.00 0.00 H new ATOM 0 HD2 PRO A 27 19.632 -1.097 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 27 21.357 -0.864 -0.027 1.00 0.00 H new ATOM 514 N VAL A 28 18.003 1.728 -1.432 1.00 0.00 N ATOM 515 CA VAL A 28 16.641 2.208 -1.785 1.00 0.00 C ATOM 516 C VAL A 28 15.587 1.236 -1.219 1.00 0.00 C ATOM 517 O VAL A 28 15.749 0.036 -1.310 1.00 0.00 O ATOM 518 CB VAL A 28 16.628 2.233 -3.318 1.00 0.00 C ATOM 519 CG1 VAL A 28 15.190 2.287 -3.834 1.00 0.00 C ATOM 520 CG2 VAL A 28 17.380 3.475 -3.802 1.00 0.00 C ATOM 0 H VAL A 28 18.106 0.714 -1.391 1.00 0.00 H new ATOM 0 HA VAL A 28 16.407 3.189 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 28 17.108 1.329 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 28 15.195 2.304 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 28 14.646 1.408 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.702 3.187 -3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 28 17.376 3.501 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.892 4.370 -3.416 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.409 3.440 -3.444 1.00 0.00 H new ATOM 530 N PRO A 29 14.547 1.791 -0.643 1.00 0.00 N ATOM 531 CA PRO A 29 13.476 0.956 -0.049 1.00 0.00 C ATOM 532 C PRO A 29 12.505 0.457 -1.124 1.00 0.00 C ATOM 533 O PRO A 29 12.500 0.930 -2.243 1.00 0.00 O ATOM 534 CB PRO A 29 12.759 1.917 0.891 1.00 0.00 C ATOM 535 CG PRO A 29 13.005 3.281 0.331 1.00 0.00 C ATOM 536 CD PRO A 29 14.272 3.226 -0.485 1.00 0.00 C ATOM 0 HA PRO A 29 13.867 0.068 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.692 1.698 0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.146 1.834 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.166 3.596 -0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 29 13.100 4.012 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.143 3.714 -1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.093 3.734 0.022 1.00 0.00 H new ATOM 544 N THR A 30 11.664 -0.481 -0.776 1.00 0.00 N ATOM 545 CA THR A 30 10.666 -1.000 -1.759 1.00 0.00 C ATOM 546 C THR A 30 9.271 -0.954 -1.126 1.00 0.00 C ATOM 547 O THR A 30 9.093 -0.395 -0.064 1.00 0.00 O ATOM 548 CB THR A 30 11.095 -2.442 -2.059 1.00 0.00 C ATOM 549 OG1 THR A 30 10.309 -2.956 -3.125 1.00 0.00 O ATOM 550 CG2 THR A 30 10.906 -3.319 -0.818 1.00 0.00 C ATOM 0 H THR A 30 11.625 -0.911 0.148 1.00 0.00 H new ATOM 0 HA THR A 30 10.627 -0.411 -2.675 1.00 0.00 H new ATOM 0 HB THR A 30 12.148 -2.448 -2.340 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.583 -3.877 -3.319 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.214 -4.340 -1.044 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.513 -2.929 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 30 9.856 -3.313 -0.525 1.00 0.00 H new ATOM 558 N VAL A 31 8.278 -1.528 -1.756 1.00 0.00 N ATOM 559 CA VAL A 31 6.916 -1.491 -1.148 1.00 0.00 C ATOM 560 C VAL A 31 6.082 -2.711 -1.546 1.00 0.00 C ATOM 561 O VAL A 31 6.124 -3.170 -2.670 1.00 0.00 O ATOM 562 CB VAL A 31 6.281 -0.175 -1.658 1.00 0.00 C ATOM 563 CG1 VAL A 31 5.434 -0.397 -2.920 1.00 0.00 C ATOM 564 CG2 VAL A 31 5.380 0.397 -0.569 1.00 0.00 C ATOM 0 H VAL A 31 8.349 -2.013 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 31 6.962 -1.522 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 31 7.091 0.511 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.007 0.552 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.062 -0.802 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.630 -1.100 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.928 1.325 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.595 -0.321 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.971 0.597 0.325 1.00 0.00 H new ATOM 574 N THR A 32 5.282 -3.197 -0.642 1.00 0.00 N ATOM 575 CA THR A 32 4.395 -4.336 -0.973 1.00 0.00 C ATOM 576 C THR A 32 3.092 -4.160 -0.211 1.00 0.00 C ATOM 577 O THR A 32 3.028 -4.343 0.977 1.00 0.00 O ATOM 578 CB THR A 32 5.116 -5.600 -0.523 1.00 0.00 C ATOM 579 OG1 THR A 32 6.498 -5.497 -0.835 1.00 0.00 O ATOM 580 CG2 THR A 32 4.504 -6.807 -1.243 1.00 0.00 C ATOM 0 H THR A 32 5.206 -2.851 0.315 1.00 0.00 H new ATOM 0 HA THR A 32 4.171 -4.393 -2.038 1.00 0.00 H new ATOM 0 HB THR A 32 5.006 -5.726 0.554 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.961 -6.310 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.014 -7.717 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.445 -6.880 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.617 -6.684 -2.320 1.00 0.00 H new ATOM 588 N TRP A 33 2.058 -3.791 -0.886 1.00 0.00 N ATOM 589 CA TRP A 33 0.758 -3.575 -0.199 1.00 0.00 C ATOM 590 C TRP A 33 -0.010 -4.889 -0.124 1.00 0.00 C ATOM 591 O TRP A 33 -0.447 -5.401 -1.123 1.00 0.00 O ATOM 592 CB TRP A 33 0.028 -2.593 -1.102 1.00 0.00 C ATOM 593 CG TRP A 33 0.822 -1.341 -1.238 1.00 0.00 C ATOM 594 CD1 TRP A 33 1.848 -1.188 -2.091 1.00 0.00 C ATOM 595 CD2 TRP A 33 0.682 -0.083 -0.536 1.00 0.00 C ATOM 596 NE1 TRP A 33 2.360 0.090 -1.957 1.00 0.00 N ATOM 597 CE2 TRP A 33 1.671 0.813 -1.006 1.00 0.00 C ATOM 598 CE3 TRP A 33 -0.198 0.356 0.450 1.00 0.00 C ATOM 599 CZ2 TRP A 33 1.782 2.110 -0.505 1.00 0.00 C ATOM 600 CZ3 TRP A 33 -0.098 1.659 0.963 1.00 0.00 C ATOM 601 CH2 TRP A 33 0.892 2.536 0.486 1.00 0.00 C ATOM 0 H TRP A 33 2.049 -3.626 -1.893 1.00 0.00 H new ATOM 0 HA TRP A 33 0.869 -3.208 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.134 -3.039 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.955 -2.367 -0.688 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.214 -1.942 -2.772 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.148 0.452 -2.494 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.962 -0.310 0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.546 2.777 -0.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.785 1.989 1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 33 0.965 3.537 0.884 1.00 0.00 H new ATOM 612 N LEU A 34 -0.172 -5.451 1.043 1.00 0.00 N ATOM 613 CA LEU A 34 -0.930 -6.740 1.128 1.00 0.00 C ATOM 614 C LEU A 34 -1.546 -6.942 2.518 1.00 0.00 C ATOM 615 O LEU A 34 -1.025 -6.481 3.515 1.00 0.00 O ATOM 616 CB LEU A 34 0.078 -7.844 0.776 1.00 0.00 C ATOM 617 CG LEU A 34 1.045 -8.108 1.933 1.00 0.00 C ATOM 618 CD1 LEU A 34 1.641 -9.506 1.764 1.00 0.00 C ATOM 619 CD2 LEU A 34 2.168 -7.069 1.910 1.00 0.00 C ATOM 0 H LEU A 34 0.179 -5.085 1.928 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.775 -6.751 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.456 -8.762 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.641 -7.555 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 34 0.515 -8.040 2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.333 -9.708 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.841 -10.246 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.175 -9.562 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.856 -7.258 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.707 -7.137 0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.742 -6.071 2.014 1.00 0.00 H new ATOM 631 N ARG A 35 -2.648 -7.638 2.589 1.00 0.00 N ATOM 632 CA ARG A 35 -3.296 -7.885 3.905 1.00 0.00 C ATOM 633 C ARG A 35 -4.265 -9.064 3.798 1.00 0.00 C ATOM 634 O ARG A 35 -5.447 -8.881 3.586 1.00 0.00 O ATOM 635 CB ARG A 35 -4.060 -6.605 4.193 1.00 0.00 C ATOM 636 CG ARG A 35 -4.912 -6.775 5.453 1.00 0.00 C ATOM 637 CD ARG A 35 -4.023 -7.187 6.631 1.00 0.00 C ATOM 638 NE ARG A 35 -4.858 -6.952 7.841 1.00 0.00 N ATOM 639 CZ ARG A 35 -4.288 -6.722 8.991 1.00 0.00 C ATOM 640 NH1 ARG A 35 -3.269 -5.910 9.064 1.00 0.00 N ATOM 641 NH2 ARG A 35 -4.733 -7.308 10.070 1.00 0.00 N ATOM 0 H ARG A 35 -3.128 -8.047 1.787 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.578 -8.129 4.688 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.363 -5.778 4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.697 -6.353 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.427 -5.842 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.680 -7.530 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.724 -8.232 6.554 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.108 -6.595 6.661 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.875 -6.971 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.918 -5.455 8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.823 -5.730 9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.527 -7.946 10.013 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.287 -7.128 10.969 1.00 0.00 H new ATOM 655 N LYS A 36 -3.788 -10.271 3.923 1.00 0.00 N ATOM 656 CA LYS A 36 -4.710 -11.441 3.805 1.00 0.00 C ATOM 657 C LYS A 36 -5.510 -11.341 2.501 1.00 0.00 C ATOM 658 O LYS A 36 -6.564 -11.922 2.360 1.00 0.00 O ATOM 659 CB LYS A 36 -5.639 -11.333 5.013 1.00 0.00 C ATOM 660 CG LYS A 36 -6.114 -12.730 5.426 1.00 0.00 C ATOM 661 CD LYS A 36 -7.616 -12.693 5.722 1.00 0.00 C ATOM 662 CE LYS A 36 -8.263 -14.000 5.256 1.00 0.00 C ATOM 663 NZ LYS A 36 -8.704 -13.739 3.856 1.00 0.00 N ATOM 0 H LYS A 36 -2.810 -10.500 4.100 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.179 -12.393 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.118 -10.855 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.496 -10.704 4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.907 -13.446 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.567 -13.066 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.783 -12.553 6.790 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.076 -11.846 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.555 -14.827 5.298 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.107 -14.270 5.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.807 -14.642 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.618 -13.242 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.996 -13.150 3.373 1.00 0.00 H new ATOM 677 N GLY A 37 -5.005 -10.607 1.550 1.00 0.00 N ATOM 678 CA GLY A 37 -5.709 -10.456 0.252 1.00 0.00 C ATOM 679 C GLY A 37 -4.706 -10.701 -0.874 1.00 0.00 C ATOM 680 O GLY A 37 -4.835 -10.177 -1.960 1.00 0.00 O ATOM 0 H GLY A 37 -4.123 -10.100 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.535 -11.164 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.137 -9.457 0.167 1.00 0.00 H new ATOM 684 N GLN A 38 -3.689 -11.489 -0.599 1.00 0.00 N ATOM 685 CA GLN A 38 -2.621 -11.790 -1.601 1.00 0.00 C ATOM 686 C GLN A 38 -1.735 -10.560 -1.762 1.00 0.00 C ATOM 687 O GLN A 38 -0.689 -10.451 -1.155 1.00 0.00 O ATOM 688 CB GLN A 38 -3.330 -12.159 -2.916 1.00 0.00 C ATOM 689 CG GLN A 38 -2.819 -13.517 -3.402 1.00 0.00 C ATOM 690 CD GLN A 38 -1.865 -13.306 -4.580 1.00 0.00 C ATOM 691 OE1 GLN A 38 -2.215 -12.666 -5.553 1.00 0.00 O ATOM 692 NE2 GLN A 38 -0.666 -13.819 -4.533 1.00 0.00 N ATOM 0 H GLN A 38 -3.555 -11.946 0.303 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.982 -12.616 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.409 -12.197 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.142 -11.395 -3.671 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.306 -14.037 -2.592 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.656 -14.146 -3.705 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.373 -14.356 -3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.022 -13.683 -5.312 1.00 0.00 H new ATOM 701 N VAL A 39 -2.170 -9.627 -2.544 1.00 0.00 N ATOM 702 CA VAL A 39 -1.398 -8.369 -2.750 1.00 0.00 C ATOM 703 C VAL A 39 -2.343 -7.264 -3.241 1.00 0.00 C ATOM 704 O VAL A 39 -3.495 -7.499 -3.544 1.00 0.00 O ATOM 705 CB VAL A 39 -0.338 -8.671 -3.827 1.00 0.00 C ATOM 706 CG1 VAL A 39 0.562 -9.830 -3.394 1.00 0.00 C ATOM 707 CG2 VAL A 39 -1.031 -9.035 -5.142 1.00 0.00 C ATOM 0 H VAL A 39 -3.046 -9.677 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.930 -8.033 -1.825 1.00 0.00 H new ATOM 0 HB VAL A 39 0.277 -7.781 -3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.302 -10.025 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.070 -9.569 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.044 -10.723 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.280 -9.248 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.656 -9.915 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.652 -8.201 -5.469 1.00 0.00 H new ATOM 717 N LEU A 40 -1.846 -6.069 -3.330 1.00 0.00 N ATOM 718 CA LEU A 40 -2.671 -4.918 -3.807 1.00 0.00 C ATOM 719 C LEU A 40 -2.037 -4.358 -5.082 1.00 0.00 C ATOM 720 O LEU A 40 -2.685 -3.758 -5.912 1.00 0.00 O ATOM 721 CB LEU A 40 -2.573 -3.879 -2.687 1.00 0.00 C ATOM 722 CG LEU A 40 -3.638 -4.111 -1.612 1.00 0.00 C ATOM 723 CD1 LEU A 40 -3.473 -5.499 -1.008 1.00 0.00 C ATOM 724 CD2 LEU A 40 -3.454 -3.081 -0.500 1.00 0.00 C ATOM 0 H LEU A 40 -0.884 -5.830 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.703 -5.193 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.582 -3.922 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.689 -2.879 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.626 -4.020 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.234 -5.656 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.582 -6.251 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.484 -5.585 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.209 -3.239 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.461 -3.190 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.561 -2.078 -0.912 1.00 0.00 H new ATOM 736 N SER A 41 -0.755 -4.540 -5.221 1.00 0.00 N ATOM 737 CA SER A 41 -0.039 -4.020 -6.413 1.00 0.00 C ATOM 738 C SER A 41 -0.703 -4.466 -7.714 1.00 0.00 C ATOM 739 O SER A 41 -0.434 -5.537 -8.222 1.00 0.00 O ATOM 740 CB SER A 41 1.367 -4.600 -6.311 1.00 0.00 C ATOM 741 OG SER A 41 1.280 -6.016 -6.204 1.00 0.00 O ATOM 0 H SER A 41 -0.167 -5.034 -4.550 1.00 0.00 H new ATOM 0 HA SER A 41 -0.045 -2.930 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.952 -4.324 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.882 -4.188 -5.443 1.00 0.00 H new ATOM 0 HG SER A 41 0.648 -6.356 -6.871 1.00 0.00 H new ATOM 747 N THR A 42 -1.535 -3.617 -8.264 1.00 0.00 N ATOM 748 CA THR A 42 -2.226 -3.898 -9.563 1.00 0.00 C ATOM 749 C THR A 42 -2.511 -5.392 -9.761 1.00 0.00 C ATOM 750 O THR A 42 -2.333 -5.932 -10.834 1.00 0.00 O ATOM 751 CB THR A 42 -1.266 -3.382 -10.643 1.00 0.00 C ATOM 752 OG1 THR A 42 -0.259 -4.354 -10.885 1.00 0.00 O ATOM 753 CG2 THR A 42 -0.608 -2.058 -10.212 1.00 0.00 C ATOM 0 H THR A 42 -1.771 -2.713 -7.854 1.00 0.00 H new ATOM 0 HA THR A 42 -3.201 -3.411 -9.600 1.00 0.00 H new ATOM 0 HB THR A 42 -1.838 -3.202 -11.553 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.664 -5.151 -11.286 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.067 -1.715 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.379 -1.306 -10.043 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.046 -2.214 -9.291 1.00 0.00 H new ATOM 761 N SER A 43 -2.955 -6.059 -8.735 1.00 0.00 N ATOM 762 CA SER A 43 -3.255 -7.512 -8.863 1.00 0.00 C ATOM 763 C SER A 43 -4.267 -7.741 -9.987 1.00 0.00 C ATOM 764 O SER A 43 -4.000 -8.435 -10.947 1.00 0.00 O ATOM 765 CB SER A 43 -3.848 -7.908 -7.515 1.00 0.00 C ATOM 766 OG SER A 43 -3.350 -9.184 -7.138 1.00 0.00 O ATOM 0 H SER A 43 -3.124 -5.661 -7.811 1.00 0.00 H new ATOM 0 HA SER A 43 -2.371 -8.101 -9.108 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.589 -7.166 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.936 -7.934 -7.577 1.00 0.00 H new ATOM 0 HG SER A 43 -3.729 -9.440 -6.271 1.00 0.00 H new ATOM 772 N ALA A 44 -5.427 -7.155 -9.873 1.00 0.00 N ATOM 773 CA ALA A 44 -6.469 -7.324 -10.929 1.00 0.00 C ATOM 774 C ALA A 44 -7.713 -6.509 -10.565 1.00 0.00 C ATOM 775 O ALA A 44 -8.829 -6.907 -10.834 1.00 0.00 O ATOM 776 CB ALA A 44 -6.794 -8.819 -10.942 1.00 0.00 C ATOM 0 H ALA A 44 -5.701 -6.562 -9.089 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.128 -6.978 -11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.555 -9.019 -11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.893 -9.385 -11.177 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.166 -9.119 -9.962 1.00 0.00 H new ATOM 782 N ARG A 45 -7.523 -5.370 -9.954 1.00 0.00 N ATOM 783 CA ARG A 45 -8.690 -4.516 -9.563 1.00 0.00 C ATOM 784 C ARG A 45 -8.218 -3.203 -8.918 1.00 0.00 C ATOM 785 O ARG A 45 -8.889 -2.194 -8.985 1.00 0.00 O ATOM 786 CB ARG A 45 -9.481 -5.351 -8.554 1.00 0.00 C ATOM 787 CG ARG A 45 -8.604 -5.661 -7.339 1.00 0.00 C ATOM 788 CD ARG A 45 -8.953 -7.050 -6.801 1.00 0.00 C ATOM 789 NE ARG A 45 -8.077 -7.985 -7.560 1.00 0.00 N ATOM 790 CZ ARG A 45 -8.311 -9.268 -7.532 1.00 0.00 C ATOM 791 NH1 ARG A 45 -9.536 -9.709 -7.631 1.00 0.00 N ATOM 792 NH2 ARG A 45 -7.322 -10.110 -7.405 1.00 0.00 N ATOM 0 H ARG A 45 -6.609 -4.991 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 45 -9.292 -4.239 -10.428 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.374 -4.810 -8.241 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.816 -6.278 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.551 -5.621 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.758 -4.910 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.767 -7.117 -5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.007 -7.281 -6.957 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.293 -7.622 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.309 -9.051 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.720 -10.712 -7.609 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.365 -9.765 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.506 -11.113 -7.383 1.00 0.00 H new ATOM 806 N HIS A 46 -7.067 -3.206 -8.303 1.00 0.00 N ATOM 807 CA HIS A 46 -6.546 -1.955 -7.664 1.00 0.00 C ATOM 808 C HIS A 46 -5.284 -1.503 -8.403 1.00 0.00 C ATOM 809 O HIS A 46 -4.892 -2.104 -9.382 1.00 0.00 O ATOM 810 CB HIS A 46 -6.231 -2.285 -6.181 1.00 0.00 C ATOM 811 CG HIS A 46 -6.007 -3.762 -5.953 1.00 0.00 C ATOM 812 ND1 HIS A 46 -6.788 -4.499 -5.078 1.00 0.00 N ATOM 813 CD2 HIS A 46 -5.099 -4.643 -6.475 1.00 0.00 C ATOM 814 CE1 HIS A 46 -6.338 -5.766 -5.101 1.00 0.00 C ATOM 815 NE2 HIS A 46 -5.309 -5.910 -5.938 1.00 0.00 N ATOM 0 H HIS A 46 -6.460 -4.021 -8.213 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.276 -1.147 -7.714 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.344 -1.734 -5.870 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -7.054 -1.944 -5.553 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -7.564 -4.145 -4.518 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.334 -4.393 -7.195 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -6.758 -6.569 -4.514 1.00 0.00 H new ATOM 823 N GLN A 47 -4.648 -0.445 -7.968 1.00 0.00 N ATOM 824 CA GLN A 47 -3.421 0.018 -8.684 1.00 0.00 C ATOM 825 C GLN A 47 -2.418 0.642 -7.709 1.00 0.00 C ATOM 826 O GLN A 47 -2.769 1.455 -6.879 1.00 0.00 O ATOM 827 CB GLN A 47 -3.912 1.073 -9.677 1.00 0.00 C ATOM 828 CG GLN A 47 -2.958 1.139 -10.875 1.00 0.00 C ATOM 829 CD GLN A 47 -1.527 1.410 -10.392 1.00 0.00 C ATOM 830 OE1 GLN A 47 -0.610 0.698 -10.750 1.00 0.00 O ATOM 831 NE2 GLN A 47 -1.296 2.414 -9.589 1.00 0.00 N ATOM 0 H GLN A 47 -4.921 0.112 -7.158 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.909 -0.810 -9.175 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -4.919 0.828 -10.015 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.968 2.047 -9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.992 0.201 -11.430 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.275 1.926 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.064 3.013 -9.287 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.347 2.599 -9.264 1.00 0.00 H new ATOM 840 N VAL A 48 -1.168 0.277 -7.811 1.00 0.00 N ATOM 841 CA VAL A 48 -0.151 0.861 -6.897 1.00 0.00 C ATOM 842 C VAL A 48 1.039 1.400 -7.701 1.00 0.00 C ATOM 843 O VAL A 48 1.215 1.091 -8.863 1.00 0.00 O ATOM 844 CB VAL A 48 0.265 -0.304 -5.968 1.00 0.00 C ATOM 845 CG1 VAL A 48 1.690 -0.812 -6.270 1.00 0.00 C ATOM 846 CG2 VAL A 48 0.216 0.178 -4.524 1.00 0.00 C ATOM 0 H VAL A 48 -0.810 -0.398 -8.486 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.534 1.706 -6.325 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.428 -1.128 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.936 -1.629 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.739 -1.167 -7.299 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.403 0.001 -6.132 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.507 -0.635 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.902 1.015 -4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.797 0.499 -4.282 1.00 0.00 H new ATOM 856 N THR A 49 1.870 2.175 -7.071 1.00 0.00 N ATOM 857 CA THR A 49 3.072 2.707 -7.772 1.00 0.00 C ATOM 858 C THR A 49 4.184 2.936 -6.749 1.00 0.00 C ATOM 859 O THR A 49 3.925 3.087 -5.573 1.00 0.00 O ATOM 860 CB THR A 49 2.630 4.025 -8.402 1.00 0.00 C ATOM 861 OG1 THR A 49 3.754 4.670 -8.983 1.00 0.00 O ATOM 862 CG2 THR A 49 2.026 4.914 -7.326 1.00 0.00 C ATOM 0 H THR A 49 1.771 2.466 -6.098 1.00 0.00 H new ATOM 0 HA THR A 49 3.456 2.024 -8.529 1.00 0.00 H new ATOM 0 HB THR A 49 1.886 3.834 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.472 5.516 -9.390 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.708 5.858 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.166 4.414 -6.882 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.771 5.109 -6.554 1.00 0.00 H new ATOM 870 N THR A 50 5.415 2.955 -7.172 1.00 0.00 N ATOM 871 CA THR A 50 6.518 3.167 -6.192 1.00 0.00 C ATOM 872 C THR A 50 7.504 4.215 -6.709 1.00 0.00 C ATOM 873 O THR A 50 7.676 4.391 -7.898 1.00 0.00 O ATOM 874 CB THR A 50 7.209 1.807 -6.062 1.00 0.00 C ATOM 875 OG1 THR A 50 7.866 1.494 -7.283 1.00 0.00 O ATOM 876 CG2 THR A 50 6.174 0.725 -5.746 1.00 0.00 C ATOM 0 H THR A 50 5.705 2.835 -8.142 1.00 0.00 H new ATOM 0 HA THR A 50 6.144 3.530 -5.235 1.00 0.00 H new ATOM 0 HB THR A 50 7.939 1.850 -5.253 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.311 0.624 -7.202 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.673 -0.240 -5.655 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.672 0.964 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.439 0.679 -6.549 1.00 0.00 H new ATOM 884 N THR A 51 8.157 4.906 -5.818 1.00 0.00 N ATOM 885 CA THR A 51 9.141 5.940 -6.245 1.00 0.00 C ATOM 886 C THR A 51 10.480 5.697 -5.542 1.00 0.00 C ATOM 887 O THR A 51 10.731 4.628 -5.023 1.00 0.00 O ATOM 888 CB THR A 51 8.535 7.276 -5.806 1.00 0.00 C ATOM 889 OG1 THR A 51 7.116 7.193 -5.845 1.00 0.00 O ATOM 890 CG2 THR A 51 9.007 8.387 -6.746 1.00 0.00 C ATOM 0 H THR A 51 8.052 4.799 -4.809 1.00 0.00 H new ATOM 0 HA THR A 51 9.330 5.919 -7.318 1.00 0.00 H new ATOM 0 HB THR A 51 8.857 7.500 -4.789 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.775 6.994 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 51 8.575 9.337 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.094 8.454 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.689 8.162 -7.764 1.00 0.00 H new ATOM 898 N LYS A 52 11.342 6.676 -5.519 1.00 0.00 N ATOM 899 CA LYS A 52 12.660 6.491 -4.848 1.00 0.00 C ATOM 900 C LYS A 52 12.461 5.978 -3.417 1.00 0.00 C ATOM 901 O LYS A 52 12.709 4.826 -3.122 1.00 0.00 O ATOM 902 CB LYS A 52 13.299 7.881 -4.839 1.00 0.00 C ATOM 903 CG LYS A 52 13.511 8.354 -6.278 1.00 0.00 C ATOM 904 CD LYS A 52 15.010 8.421 -6.578 1.00 0.00 C ATOM 905 CE LYS A 52 15.268 9.481 -7.651 1.00 0.00 C ATOM 906 NZ LYS A 52 15.196 10.783 -6.931 1.00 0.00 N ATOM 0 H LYS A 52 11.191 7.595 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 52 13.285 5.760 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.660 8.583 -4.304 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.252 7.852 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.021 7.672 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.057 9.335 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.563 8.664 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 52 15.368 7.449 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.243 9.341 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.524 9.428 -8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.497 11.398 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.912 10.619 -5.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.129 11.243 -6.951 1.00 0.00 H new ATOM 920 N TYR A 53 12.014 6.822 -2.526 1.00 0.00 N ATOM 921 CA TYR A 53 11.801 6.380 -1.119 1.00 0.00 C ATOM 922 C TYR A 53 10.375 6.688 -0.681 1.00 0.00 C ATOM 923 O TYR A 53 10.106 6.935 0.475 1.00 0.00 O ATOM 924 CB TYR A 53 12.775 7.200 -0.295 1.00 0.00 C ATOM 925 CG TYR A 53 14.177 7.027 -0.827 1.00 0.00 C ATOM 926 CD1 TYR A 53 14.594 7.780 -1.927 1.00 0.00 C ATOM 927 CD2 TYR A 53 15.056 6.124 -0.218 1.00 0.00 C ATOM 928 CE1 TYR A 53 15.892 7.635 -2.423 1.00 0.00 C ATOM 929 CE2 TYR A 53 16.357 5.977 -0.715 1.00 0.00 C ATOM 930 CZ TYR A 53 16.776 6.734 -1.819 1.00 0.00 C ATOM 931 OH TYR A 53 18.059 6.596 -2.306 1.00 0.00 O ATOM 0 H TYR A 53 11.787 7.799 -2.713 1.00 0.00 H new ATOM 0 HA TYR A 53 11.957 5.308 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 53 12.493 8.253 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.733 6.889 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.912 8.475 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.732 5.542 0.632 1.00 0.00 H new ATOM 0 HE1 TYR A 53 16.213 8.219 -3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 53 17.038 5.281 -0.248 1.00 0.00 H new ATOM 0 HH TYR A 53 18.422 5.729 -2.030 1.00 0.00 H new ATOM 941 N LYS A 54 9.468 6.694 -1.598 1.00 0.00 N ATOM 942 CA LYS A 54 8.049 6.998 -1.247 1.00 0.00 C ATOM 943 C LYS A 54 7.108 6.280 -2.217 1.00 0.00 C ATOM 944 O LYS A 54 7.222 6.409 -3.419 1.00 0.00 O ATOM 945 CB LYS A 54 7.882 8.531 -1.347 1.00 0.00 C ATOM 946 CG LYS A 54 8.924 9.156 -2.292 1.00 0.00 C ATOM 947 CD LYS A 54 8.510 10.588 -2.638 1.00 0.00 C ATOM 948 CE LYS A 54 7.162 10.573 -3.363 1.00 0.00 C ATOM 949 NZ LYS A 54 7.432 11.183 -4.696 1.00 0.00 N ATOM 0 H LYS A 54 9.638 6.502 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 54 7.804 6.654 -0.242 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.879 8.765 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.978 8.973 -0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.906 9.155 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.008 8.561 -3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.439 11.186 -1.730 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.268 11.054 -3.268 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.780 9.557 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.412 11.142 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.718 10.857 -5.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.389 12.219 -4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.378 10.899 -5.022 1.00 0.00 H new ATOM 963 N SER A 55 6.177 5.521 -1.703 1.00 0.00 N ATOM 964 CA SER A 55 5.234 4.797 -2.590 1.00 0.00 C ATOM 965 C SER A 55 3.827 5.355 -2.429 1.00 0.00 C ATOM 966 O SER A 55 3.552 6.111 -1.526 1.00 0.00 O ATOM 967 CB SER A 55 5.262 3.348 -2.116 1.00 0.00 C ATOM 968 OG SER A 55 5.554 2.520 -3.224 1.00 0.00 O ATOM 0 H SER A 55 6.032 5.374 -0.704 1.00 0.00 H new ATOM 0 HA SER A 55 5.513 4.896 -3.639 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.014 3.218 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.301 3.073 -1.680 1.00 0.00 H new ATOM 0 HG SER A 55 4.882 2.661 -3.924 1.00 0.00 H new ATOM 974 N THR A 56 2.923 4.966 -3.279 1.00 0.00 N ATOM 975 CA THR A 56 1.523 5.452 -3.144 1.00 0.00 C ATOM 976 C THR A 56 0.570 4.403 -3.697 1.00 0.00 C ATOM 977 O THR A 56 0.825 3.781 -4.719 1.00 0.00 O ATOM 978 CB THR A 56 1.414 6.758 -3.939 1.00 0.00 C ATOM 979 OG1 THR A 56 1.450 6.479 -5.324 1.00 0.00 O ATOM 980 CG2 THR A 56 2.565 7.690 -3.576 1.00 0.00 C ATOM 0 H THR A 56 3.091 4.333 -4.061 1.00 0.00 H new ATOM 0 HA THR A 56 1.262 5.628 -2.100 1.00 0.00 H new ATOM 0 HB THR A 56 0.470 7.244 -3.691 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.378 7.316 -5.828 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.478 8.615 -4.146 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.528 7.916 -2.510 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.513 7.206 -3.811 1.00 0.00 H new ATOM 988 N PHE A 57 -0.517 4.189 -3.021 1.00 0.00 N ATOM 989 CA PHE A 57 -1.486 3.175 -3.486 1.00 0.00 C ATOM 990 C PHE A 57 -2.869 3.801 -3.648 1.00 0.00 C ATOM 991 O PHE A 57 -3.379 4.440 -2.755 1.00 0.00 O ATOM 992 CB PHE A 57 -1.491 2.116 -2.381 1.00 0.00 C ATOM 993 CG PHE A 57 -2.571 1.099 -2.647 1.00 0.00 C ATOM 994 CD1 PHE A 57 -2.736 0.581 -3.933 1.00 0.00 C ATOM 995 CD2 PHE A 57 -3.403 0.670 -1.605 1.00 0.00 C ATOM 996 CE1 PHE A 57 -3.730 -0.366 -4.185 1.00 0.00 C ATOM 997 CE2 PHE A 57 -4.399 -0.280 -1.855 1.00 0.00 C ATOM 998 CZ PHE A 57 -4.563 -0.799 -3.145 1.00 0.00 C ATOM 0 H PHE A 57 -0.775 4.676 -2.163 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.222 2.754 -4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.520 1.623 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -1.656 2.589 -1.413 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.093 0.914 -4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.276 1.072 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.857 -0.765 -5.181 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.041 -0.613 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.331 -1.533 -3.338 1.00 0.00 H new ATOM 1008 N GLU A 58 -3.486 3.607 -4.776 1.00 0.00 N ATOM 1009 CA GLU A 58 -4.842 4.178 -4.987 1.00 0.00 C ATOM 1010 C GLU A 58 -5.770 3.089 -5.534 1.00 0.00 C ATOM 1011 O GLU A 58 -5.356 2.242 -6.302 1.00 0.00 O ATOM 1012 CB GLU A 58 -4.652 5.314 -6.004 1.00 0.00 C ATOM 1013 CG GLU A 58 -4.372 4.741 -7.400 1.00 0.00 C ATOM 1014 CD GLU A 58 -5.667 4.716 -8.222 1.00 0.00 C ATOM 1015 OE1 GLU A 58 -6.701 5.089 -7.687 1.00 0.00 O ATOM 1016 OE2 GLU A 58 -5.604 4.324 -9.376 1.00 0.00 O ATOM 0 H GLU A 58 -3.110 3.077 -5.562 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.293 4.551 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.545 5.938 -6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.826 5.954 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.620 5.346 -7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.965 3.733 -7.314 1.00 0.00 H new ATOM 1023 N ILE A 59 -7.013 3.095 -5.152 1.00 0.00 N ATOM 1024 CA ILE A 59 -7.941 2.045 -5.671 1.00 0.00 C ATOM 1025 C ILE A 59 -9.150 2.695 -6.342 1.00 0.00 C ATOM 1026 O ILE A 59 -9.762 3.600 -5.810 1.00 0.00 O ATOM 1027 CB ILE A 59 -8.379 1.221 -4.458 1.00 0.00 C ATOM 1028 CG1 ILE A 59 -7.160 0.873 -3.588 1.00 0.00 C ATOM 1029 CG2 ILE A 59 -9.045 -0.069 -4.941 1.00 0.00 C ATOM 1030 CD1 ILE A 59 -7.584 -0.014 -2.413 1.00 0.00 C ATOM 0 H ILE A 59 -7.428 3.771 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.455 1.417 -6.417 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.084 1.803 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.410 0.359 -4.189 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.698 1.787 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -9.359 -0.660 -4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -9.915 0.177 -5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.336 -0.644 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.712 -0.253 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.317 0.515 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.025 -0.935 -2.793 1.00 0.00 H new ATOM 1042 N SER A 60 -9.485 2.241 -7.513 1.00 0.00 N ATOM 1043 CA SER A 60 -10.650 2.827 -8.243 1.00 0.00 C ATOM 1044 C SER A 60 -11.318 1.791 -9.161 1.00 0.00 C ATOM 1045 O SER A 60 -12.153 2.129 -9.975 1.00 0.00 O ATOM 1046 CB SER A 60 -10.054 3.957 -9.081 1.00 0.00 C ATOM 1047 OG SER A 60 -9.859 5.100 -8.263 1.00 0.00 O ATOM 0 H SER A 60 -9.004 1.487 -8.002 1.00 0.00 H new ATOM 0 HA SER A 60 -11.421 3.170 -7.553 1.00 0.00 H new ATOM 0 HB2 SER A 60 -9.105 3.641 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 60 -10.719 4.199 -9.910 1.00 0.00 H new ATOM 0 HG SER A 60 -8.910 5.179 -8.032 1.00 0.00 H new ATOM 1053 N SER A 61 -10.952 0.542 -9.057 1.00 0.00 N ATOM 1054 CA SER A 61 -11.566 -0.490 -9.947 1.00 0.00 C ATOM 1055 C SER A 61 -12.040 -1.710 -9.142 1.00 0.00 C ATOM 1056 O SER A 61 -12.658 -2.608 -9.680 1.00 0.00 O ATOM 1057 CB SER A 61 -10.438 -0.874 -10.899 1.00 0.00 C ATOM 1058 OG SER A 61 -10.535 -2.251 -11.241 1.00 0.00 O ATOM 0 H SER A 61 -10.257 0.191 -8.398 1.00 0.00 H new ATOM 0 HA SER A 61 -12.449 -0.117 -10.466 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.488 -0.263 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.474 -0.674 -10.432 1.00 0.00 H new ATOM 0 HG SER A 61 -11.447 -2.567 -11.071 1.00 0.00 H new ATOM 1064 N VAL A 62 -11.749 -1.751 -7.867 1.00 0.00 N ATOM 1065 CA VAL A 62 -12.168 -2.910 -7.018 1.00 0.00 C ATOM 1066 C VAL A 62 -13.609 -3.343 -7.331 1.00 0.00 C ATOM 1067 O VAL A 62 -14.483 -2.527 -7.540 1.00 0.00 O ATOM 1068 CB VAL A 62 -12.057 -2.389 -5.584 1.00 0.00 C ATOM 1069 CG1 VAL A 62 -13.107 -1.312 -5.342 1.00 0.00 C ATOM 1070 CG2 VAL A 62 -12.267 -3.537 -4.598 1.00 0.00 C ATOM 0 H VAL A 62 -11.233 -1.024 -7.372 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.550 -3.790 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.064 -1.964 -5.437 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -13.023 -0.945 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -12.950 -0.488 -6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -14.101 -1.732 -5.496 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -12.187 -3.160 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -13.256 -3.969 -4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.508 -4.302 -4.763 1.00 0.00 H new ATOM 1130 N GLU A 67 -12.341 -6.528 0.938 1.00 0.00 N ATOM 1131 CA GLU A 67 -12.297 -6.316 2.411 1.00 0.00 C ATOM 1132 C GLU A 67 -12.086 -4.846 2.762 1.00 0.00 C ATOM 1133 O GLU A 67 -12.129 -3.970 1.925 1.00 0.00 O ATOM 1134 CB GLU A 67 -11.120 -7.149 2.908 1.00 0.00 C ATOM 1135 CG GLU A 67 -11.638 -8.480 3.445 1.00 0.00 C ATOM 1136 CD GLU A 67 -10.966 -9.633 2.696 1.00 0.00 C ATOM 1137 OE1 GLU A 67 -11.449 -9.985 1.633 1.00 0.00 O ATOM 1138 OE2 GLU A 67 -9.980 -10.146 3.201 1.00 0.00 O ATOM 0 HA GLU A 67 -13.239 -6.610 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.413 -7.321 2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.583 -6.612 3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.432 -8.558 4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.720 -8.536 3.324 1.00 0.00 H new ATOM 1145 N GLY A 68 -11.865 -4.586 4.013 1.00 0.00 N ATOM 1146 CA GLY A 68 -11.662 -3.196 4.473 1.00 0.00 C ATOM 1147 C GLY A 68 -10.246 -3.012 4.998 1.00 0.00 C ATOM 1148 O GLY A 68 -9.735 -1.941 4.970 1.00 0.00 O ATOM 0 H GLY A 68 -11.816 -5.292 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.845 -2.504 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.381 -2.957 5.257 1.00 0.00 H new ATOM 1152 N ASN A 69 -9.614 -4.031 5.492 1.00 0.00 N ATOM 1153 CA ASN A 69 -8.229 -3.851 6.024 1.00 0.00 C ATOM 1154 C ASN A 69 -7.158 -4.209 4.982 1.00 0.00 C ATOM 1155 O ASN A 69 -7.132 -5.292 4.433 1.00 0.00 O ATOM 1156 CB ASN A 69 -8.139 -4.790 7.220 1.00 0.00 C ATOM 1157 CG ASN A 69 -6.787 -4.607 7.913 1.00 0.00 C ATOM 1158 OD1 ASN A 69 -5.780 -4.400 7.264 1.00 0.00 O ATOM 1159 ND2 ASN A 69 -6.721 -4.672 9.214 1.00 0.00 N ATOM 0 H ASN A 69 -9.987 -4.978 5.554 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.046 -2.810 6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -8.949 -4.583 7.920 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -8.255 -5.824 6.894 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.825 -4.549 9.686 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.565 -4.846 9.759 1.00 0.00 H new ATOM 1166 N TYR A 70 -6.258 -3.294 4.743 1.00 0.00 N ATOM 1167 CA TYR A 70 -5.143 -3.523 3.783 1.00 0.00 C ATOM 1168 C TYR A 70 -3.864 -2.929 4.384 1.00 0.00 C ATOM 1169 O TYR A 70 -3.930 -1.977 5.136 1.00 0.00 O ATOM 1170 CB TYR A 70 -5.538 -2.774 2.515 1.00 0.00 C ATOM 1171 CG TYR A 70 -6.236 -3.713 1.562 1.00 0.00 C ATOM 1172 CD1 TYR A 70 -5.687 -4.969 1.273 1.00 0.00 C ATOM 1173 CD2 TYR A 70 -7.431 -3.316 0.957 1.00 0.00 C ATOM 1174 CE1 TYR A 70 -6.339 -5.824 0.375 1.00 0.00 C ATOM 1175 CE2 TYR A 70 -8.083 -4.169 0.064 1.00 0.00 C ATOM 1176 CZ TYR A 70 -7.538 -5.424 -0.229 1.00 0.00 C ATOM 1177 OH TYR A 70 -8.181 -6.266 -1.112 1.00 0.00 O ATOM 0 H TYR A 70 -6.250 -2.375 5.185 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.966 -4.578 3.573 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.194 -1.940 2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.652 -2.352 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.764 -5.277 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.852 -2.347 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.917 -6.792 0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.008 -3.860 -0.400 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.998 -5.835 -1.439 1.00 0.00 H new ATOM 1187 N SER A 71 -2.703 -3.459 4.090 1.00 0.00 N ATOM 1188 CA SER A 71 -1.476 -2.861 4.700 1.00 0.00 C ATOM 1189 C SER A 71 -0.332 -2.781 3.693 1.00 0.00 C ATOM 1190 O SER A 71 -0.492 -3.063 2.524 1.00 0.00 O ATOM 1191 CB SER A 71 -1.092 -3.760 5.878 1.00 0.00 C ATOM 1192 OG SER A 71 -1.941 -4.901 5.927 1.00 0.00 O ATOM 0 H SER A 71 -2.552 -4.257 3.472 1.00 0.00 H new ATOM 0 HA SER A 71 -1.672 -1.840 5.026 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.053 -4.075 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.169 -3.201 6.811 1.00 0.00 H new ATOM 0 HG SER A 71 -1.630 -5.568 5.279 1.00 0.00 H new ATOM 1198 N VAL A 72 0.823 -2.370 4.147 1.00 0.00 N ATOM 1199 CA VAL A 72 1.989 -2.238 3.218 1.00 0.00 C ATOM 1200 C VAL A 72 3.304 -2.587 3.918 1.00 0.00 C ATOM 1201 O VAL A 72 3.810 -1.835 4.720 1.00 0.00 O ATOM 1202 CB VAL A 72 1.989 -0.764 2.816 1.00 0.00 C ATOM 1203 CG1 VAL A 72 2.062 0.092 4.076 1.00 0.00 C ATOM 1204 CG2 VAL A 72 3.201 -0.453 1.931 1.00 0.00 C ATOM 0 H VAL A 72 1.011 -2.120 5.118 1.00 0.00 H new ATOM 0 HA VAL A 72 1.905 -2.915 2.368 1.00 0.00 H new ATOM 0 HB VAL A 72 1.077 -0.546 2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.063 1.146 3.800 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.199 -0.117 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.977 -0.141 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.187 0.601 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.117 -0.672 2.479 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.161 -1.067 1.031 1.00 0.00 H new ATOM 1214 N VAL A 73 3.874 -3.708 3.595 1.00 0.00 N ATOM 1215 CA VAL A 73 5.165 -4.089 4.222 1.00 0.00 C ATOM 1216 C VAL A 73 6.323 -3.541 3.388 1.00 0.00 C ATOM 1217 O VAL A 73 6.680 -4.074 2.356 1.00 0.00 O ATOM 1218 CB VAL A 73 5.182 -5.625 4.272 1.00 0.00 C ATOM 1219 CG1 VAL A 73 4.011 -6.115 5.122 1.00 0.00 C ATOM 1220 CG2 VAL A 73 5.071 -6.232 2.869 1.00 0.00 C ATOM 0 H VAL A 73 3.502 -4.379 2.923 1.00 0.00 H new ATOM 0 HA VAL A 73 5.273 -3.677 5.225 1.00 0.00 H new ATOM 0 HB VAL A 73 6.130 -5.940 4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.020 -7.204 5.160 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.103 -5.716 6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.074 -5.775 4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.086 -7.320 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.137 -5.912 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.911 -5.897 2.260 1.00 0.00 H new ATOM 1230 N VAL A 74 6.907 -2.466 3.835 1.00 0.00 N ATOM 1231 CA VAL A 74 8.040 -1.860 3.087 1.00 0.00 C ATOM 1232 C VAL A 74 9.352 -2.496 3.571 1.00 0.00 C ATOM 1233 O VAL A 74 9.713 -2.389 4.724 1.00 0.00 O ATOM 1234 CB VAL A 74 7.932 -0.347 3.405 1.00 0.00 C ATOM 1235 CG1 VAL A 74 9.171 0.186 4.141 1.00 0.00 C ATOM 1236 CG2 VAL A 74 7.763 0.422 2.095 1.00 0.00 C ATOM 0 H VAL A 74 6.646 -1.978 4.692 1.00 0.00 H new ATOM 0 HA VAL A 74 8.017 -2.023 2.009 1.00 0.00 H new ATOM 0 HB VAL A 74 7.072 -0.205 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.046 1.250 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.292 -0.348 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 74 10.055 0.035 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.686 1.488 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.625 0.241 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.857 0.086 1.590 1.00 0.00 H new ATOM 1246 N GLU A 75 10.059 -3.164 2.706 1.00 0.00 N ATOM 1247 CA GLU A 75 11.332 -3.811 3.133 1.00 0.00 C ATOM 1248 C GLU A 75 12.483 -3.319 2.260 1.00 0.00 C ATOM 1249 O GLU A 75 12.285 -2.569 1.328 1.00 0.00 O ATOM 1250 CB GLU A 75 11.100 -5.307 2.919 1.00 0.00 C ATOM 1251 CG GLU A 75 9.979 -5.786 3.841 1.00 0.00 C ATOM 1252 CD GLU A 75 8.997 -6.650 3.047 1.00 0.00 C ATOM 1253 OE1 GLU A 75 9.422 -7.257 2.078 1.00 0.00 O ATOM 1254 OE2 GLU A 75 7.836 -6.688 3.422 1.00 0.00 O ATOM 0 H GLU A 75 9.813 -3.291 1.724 1.00 0.00 H new ATOM 0 HA GLU A 75 11.592 -3.581 4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.837 -5.500 1.879 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.016 -5.861 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.395 -6.359 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.460 -4.931 4.274 1.00 0.00 H new ATOM 1261 N ASN A 76 13.689 -3.726 2.553 1.00 0.00 N ATOM 1262 CA ASN A 76 14.830 -3.262 1.718 1.00 0.00 C ATOM 1263 C ASN A 76 16.074 -4.123 1.971 1.00 0.00 C ATOM 1264 O ASN A 76 16.038 -5.102 2.690 1.00 0.00 O ATOM 1265 CB ASN A 76 14.994 -1.777 2.104 1.00 0.00 C ATOM 1266 CG ASN A 76 16.451 -1.319 2.218 1.00 0.00 C ATOM 1267 OD1 ASN A 76 17.195 -1.829 3.026 1.00 0.00 O ATOM 1268 ND2 ASN A 76 16.883 -0.368 1.439 1.00 0.00 N ATOM 0 H ASN A 76 13.930 -4.350 3.323 1.00 0.00 H new ATOM 0 HA ASN A 76 14.665 -3.360 0.645 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.488 -1.161 1.361 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.494 -1.603 3.057 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.850 -0.051 1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.254 0.060 0.759 1.00 0.00 H new ATOM 1275 N SER A 77 17.144 -3.760 1.331 1.00 0.00 N ATOM 1276 CA SER A 77 18.440 -4.513 1.425 1.00 0.00 C ATOM 1277 C SER A 77 18.673 -5.171 2.790 1.00 0.00 C ATOM 1278 O SER A 77 19.316 -6.198 2.876 1.00 0.00 O ATOM 1279 CB SER A 77 19.516 -3.463 1.158 1.00 0.00 C ATOM 1280 OG SER A 77 19.584 -2.570 2.262 1.00 0.00 O ATOM 0 H SER A 77 17.184 -2.943 0.722 1.00 0.00 H new ATOM 0 HA SER A 77 18.447 -5.340 0.715 1.00 0.00 H new ATOM 0 HB2 SER A 77 20.481 -3.945 1.006 1.00 0.00 H new ATOM 0 HB3 SER A 77 19.286 -2.914 0.245 1.00 0.00 H new ATOM 0 HG SER A 77 18.719 -2.124 2.376 1.00 0.00 H new ATOM 1286 N GLU A 78 18.186 -4.600 3.850 1.00 0.00 N ATOM 1287 CA GLU A 78 18.429 -5.233 5.187 1.00 0.00 C ATOM 1288 C GLU A 78 17.422 -4.787 6.263 1.00 0.00 C ATOM 1289 O GLU A 78 17.471 -5.262 7.379 1.00 0.00 O ATOM 1290 CB GLU A 78 19.843 -4.794 5.570 1.00 0.00 C ATOM 1291 CG GLU A 78 19.899 -3.265 5.669 1.00 0.00 C ATOM 1292 CD GLU A 78 20.855 -2.696 4.612 1.00 0.00 C ATOM 1293 OE1 GLU A 78 21.611 -3.465 4.041 1.00 0.00 O ATOM 1294 OE2 GLU A 78 20.815 -1.496 4.397 1.00 0.00 O ATOM 0 H GLU A 78 17.639 -3.739 3.860 1.00 0.00 H new ATOM 0 HA GLU A 78 18.312 -6.315 5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 78 20.128 -5.241 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 78 20.558 -5.147 4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.902 -2.848 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 78 20.230 -2.970 6.665 1.00 0.00 H new ATOM 1301 N GLY A 79 16.515 -3.897 5.961 1.00 0.00 N ATOM 1302 CA GLY A 79 15.536 -3.470 7.002 1.00 0.00 C ATOM 1303 C GLY A 79 14.178 -4.103 6.703 1.00 0.00 C ATOM 1304 O GLY A 79 13.928 -4.564 5.607 1.00 0.00 O ATOM 0 H GLY A 79 16.410 -3.452 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 79 15.882 -3.773 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.450 -2.383 7.014 1.00 0.00 H new ATOM 1308 N LYS A 80 13.301 -4.138 7.668 1.00 0.00 N ATOM 1309 CA LYS A 80 11.965 -4.756 7.431 1.00 0.00 C ATOM 1310 C LYS A 80 10.889 -4.063 8.280 1.00 0.00 C ATOM 1311 O LYS A 80 10.816 -4.253 9.477 1.00 0.00 O ATOM 1312 CB LYS A 80 12.129 -6.212 7.871 1.00 0.00 C ATOM 1313 CG LYS A 80 11.727 -7.148 6.731 1.00 0.00 C ATOM 1314 CD LYS A 80 12.632 -6.900 5.523 1.00 0.00 C ATOM 1315 CE LYS A 80 12.482 -8.051 4.526 1.00 0.00 C ATOM 1316 NZ LYS A 80 13.859 -8.299 4.016 1.00 0.00 N ATOM 0 H LYS A 80 13.450 -3.767 8.607 1.00 0.00 H new ATOM 0 HA LYS A 80 11.650 -4.667 6.391 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.163 -6.400 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.513 -6.408 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.809 -8.186 7.053 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.685 -6.980 6.459 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.369 -5.956 5.046 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.670 -6.817 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.073 -8.939 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.803 -7.786 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.839 -9.076 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.220 -7.438 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.482 -8.556 4.808 1.00 0.00 H new ATOM 1330 N GLN A 81 10.048 -3.270 7.669 1.00 0.00 N ATOM 1331 CA GLN A 81 8.973 -2.579 8.442 1.00 0.00 C ATOM 1332 C GLN A 81 7.708 -2.449 7.584 1.00 0.00 C ATOM 1333 O GLN A 81 7.720 -2.732 6.403 1.00 0.00 O ATOM 1334 CB GLN A 81 9.540 -1.200 8.778 1.00 0.00 C ATOM 1335 CG GLN A 81 8.591 -0.486 9.743 1.00 0.00 C ATOM 1336 CD GLN A 81 9.267 0.767 10.297 1.00 0.00 C ATOM 1337 OE1 GLN A 81 10.459 0.780 10.525 1.00 0.00 O ATOM 1338 NE2 GLN A 81 8.547 1.830 10.523 1.00 0.00 N ATOM 0 H GLN A 81 10.059 -3.071 6.669 1.00 0.00 H new ATOM 0 HA GLN A 81 8.694 -3.129 9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.528 -1.300 9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.662 -0.612 7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 81 7.669 -0.216 9.228 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.317 -1.154 10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.545 1.818 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.985 2.674 10.892 1.00 0.00 H new ATOM 1347 N GLU A 82 6.616 -2.032 8.168 1.00 0.00 N ATOM 1348 CA GLU A 82 5.350 -1.897 7.382 1.00 0.00 C ATOM 1349 C GLU A 82 4.461 -0.795 7.953 1.00 0.00 C ATOM 1350 O GLU A 82 4.786 -0.144 8.926 1.00 0.00 O ATOM 1351 CB GLU A 82 4.660 -3.255 7.524 1.00 0.00 C ATOM 1352 CG GLU A 82 4.334 -3.521 8.997 1.00 0.00 C ATOM 1353 CD GLU A 82 3.327 -4.668 9.097 1.00 0.00 C ATOM 1354 OE1 GLU A 82 2.307 -4.595 8.431 1.00 0.00 O ATOM 1355 OE2 GLU A 82 3.594 -5.601 9.837 1.00 0.00 O ATOM 0 H GLU A 82 6.544 -1.779 9.153 1.00 0.00 H new ATOM 0 HA GLU A 82 5.546 -1.629 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.746 -3.272 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.306 -4.043 7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.244 -3.773 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.925 -2.622 9.458 1.00 0.00 H new ATOM 1362 N ALA A 83 3.330 -0.608 7.345 1.00 0.00 N ATOM 1363 CA ALA A 83 2.360 0.414 7.803 1.00 0.00 C ATOM 1364 C ALA A 83 0.979 -0.223 7.751 1.00 0.00 C ATOM 1365 O ALA A 83 0.776 -1.181 7.032 1.00 0.00 O ATOM 1366 CB ALA A 83 2.475 1.555 6.790 1.00 0.00 C ATOM 0 H ALA A 83 3.030 -1.137 6.526 1.00 0.00 H new ATOM 0 HA ALA A 83 2.539 0.779 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.785 2.354 7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.494 1.941 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.228 1.185 5.795 1.00 0.00 H new ATOM 1372 N GLU A 84 0.032 0.259 8.500 1.00 0.00 N ATOM 1373 CA GLU A 84 -1.304 -0.393 8.453 1.00 0.00 C ATOM 1374 C GLU A 84 -2.420 0.623 8.198 1.00 0.00 C ATOM 1375 O GLU A 84 -2.339 1.778 8.566 1.00 0.00 O ATOM 1376 CB GLU A 84 -1.475 -1.047 9.824 1.00 0.00 C ATOM 1377 CG GLU A 84 -0.598 -2.299 9.906 1.00 0.00 C ATOM 1378 CD GLU A 84 -1.305 -3.461 9.207 1.00 0.00 C ATOM 1379 OE1 GLU A 84 -2.521 -3.517 9.280 1.00 0.00 O ATOM 1380 OE2 GLU A 84 -0.620 -4.274 8.608 1.00 0.00 O ATOM 0 H GLU A 84 0.119 1.057 9.129 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.365 -1.114 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.199 -0.345 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.520 -1.311 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.368 -2.111 9.437 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.402 -2.552 10.948 1.00 0.00 H new ATOM 1387 N PHE A 85 -3.464 0.169 7.569 1.00 0.00 N ATOM 1388 CA PHE A 85 -4.632 1.038 7.258 1.00 0.00 C ATOM 1389 C PHE A 85 -5.749 0.137 6.744 1.00 0.00 C ATOM 1390 O PHE A 85 -5.571 -1.056 6.640 1.00 0.00 O ATOM 1391 CB PHE A 85 -4.148 1.996 6.167 1.00 0.00 C ATOM 1392 CG PHE A 85 -3.686 1.211 4.963 1.00 0.00 C ATOM 1393 CD1 PHE A 85 -4.626 0.673 4.077 1.00 0.00 C ATOM 1394 CD2 PHE A 85 -2.318 1.024 4.730 1.00 0.00 C ATOM 1395 CE1 PHE A 85 -4.196 -0.050 2.959 1.00 0.00 C ATOM 1396 CE2 PHE A 85 -1.892 0.300 3.608 1.00 0.00 C ATOM 1397 CZ PHE A 85 -2.832 -0.236 2.725 1.00 0.00 C ATOM 0 H PHE A 85 -3.560 -0.795 7.248 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.007 1.597 8.115 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.953 2.674 5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.332 2.611 6.546 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.682 0.816 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.592 1.437 5.414 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.921 -0.465 2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.837 0.157 3.426 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.504 -0.795 1.861 1.00 0.00 H new ATOM 1407 N THR A 86 -6.891 0.670 6.437 1.00 0.00 N ATOM 1408 CA THR A 86 -7.985 -0.206 5.944 1.00 0.00 C ATOM 1409 C THR A 86 -8.812 0.489 4.858 1.00 0.00 C ATOM 1410 O THR A 86 -9.394 1.531 5.069 1.00 0.00 O ATOM 1411 CB THR A 86 -8.836 -0.516 7.178 1.00 0.00 C ATOM 1412 OG1 THR A 86 -9.422 0.684 7.664 1.00 0.00 O ATOM 1413 CG2 THR A 86 -7.952 -1.133 8.263 1.00 0.00 C ATOM 0 H THR A 86 -7.116 1.663 6.504 1.00 0.00 H new ATOM 0 HA THR A 86 -7.597 -1.113 5.481 1.00 0.00 H new ATOM 0 HB THR A 86 -9.625 -1.219 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.645 1.268 6.909 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.557 -1.354 9.143 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.506 -2.054 7.888 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.163 -0.431 8.532 1.00 0.00 H new ATOM 1421 N LEU A 87 -8.889 -0.122 3.702 1.00 0.00 N ATOM 1422 CA LEU A 87 -9.699 0.439 2.589 1.00 0.00 C ATOM 1423 C LEU A 87 -10.887 -0.483 2.361 1.00 0.00 C ATOM 1424 O LEU A 87 -10.730 -1.626 1.974 1.00 0.00 O ATOM 1425 CB LEU A 87 -8.776 0.418 1.365 1.00 0.00 C ATOM 1426 CG LEU A 87 -7.847 1.657 1.276 1.00 0.00 C ATOM 1427 CD1 LEU A 87 -7.928 2.567 2.514 1.00 0.00 C ATOM 1428 CD2 LEU A 87 -6.405 1.167 1.117 1.00 0.00 C ATOM 0 H LEU A 87 -8.416 -0.999 3.484 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.068 1.445 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.165 -0.484 1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.383 0.362 0.462 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.174 2.251 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.254 3.414 2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.949 2.930 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.638 2.002 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.735 2.024 1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.131 0.556 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.321 0.572 0.208 1.00 0.00 H new ATOM 1440 N THR A 88 -12.069 -0.016 2.615 1.00 0.00 N ATOM 1441 CA THR A 88 -13.255 -0.902 2.429 1.00 0.00 C ATOM 1442 C THR A 88 -14.035 -0.527 1.178 1.00 0.00 C ATOM 1443 O THR A 88 -13.833 0.513 0.579 1.00 0.00 O ATOM 1444 CB THR A 88 -14.117 -0.738 3.684 1.00 0.00 C ATOM 1445 OG1 THR A 88 -13.332 -0.209 4.746 1.00 0.00 O ATOM 1446 CG2 THR A 88 -14.669 -2.106 4.091 1.00 0.00 C ATOM 0 H THR A 88 -12.271 0.929 2.940 1.00 0.00 H new ATOM 0 HA THR A 88 -12.948 -1.939 2.296 1.00 0.00 H new ATOM 0 HB THR A 88 -14.938 -0.053 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 88 -13.890 -0.105 5.545 1.00 0.00 H new ATOM 0 HG21 THR A 88 -15.284 -1.999 4.984 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.274 -2.510 3.280 1.00 0.00 H new ATOM 0 HG23 THR A 88 -13.842 -2.785 4.299 1.00 0.00 H new ATOM 1454 N ILE A 89 -14.917 -1.391 0.779 1.00 0.00 N ATOM 1455 CA ILE A 89 -15.717 -1.144 -0.443 1.00 0.00 C ATOM 1456 C ILE A 89 -17.218 -1.249 -0.119 1.00 0.00 C ATOM 1457 O ILE A 89 -17.648 -0.824 0.935 1.00 0.00 O ATOM 1458 CB ILE A 89 -15.255 -2.227 -1.438 1.00 0.00 C ATOM 1459 CG1 ILE A 89 -15.230 -3.612 -0.739 1.00 0.00 C ATOM 1460 CG2 ILE A 89 -13.867 -1.854 -1.979 1.00 0.00 C ATOM 1461 CD1 ILE A 89 -13.892 -3.854 -0.039 1.00 0.00 C ATOM 0 H ILE A 89 -15.120 -2.270 1.255 1.00 0.00 H new ATOM 0 HA ILE A 89 -15.573 -0.146 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.952 -2.286 -2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -16.040 -3.670 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.406 -4.397 -1.475 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.534 -2.616 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.921 -0.890 -2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -13.159 -1.790 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.905 -4.832 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.086 -3.820 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.730 -3.082 0.713 1.00 0.00 H new