USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 554 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 65 SER OG : rot 180:sc= -0.123 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= -0.0103 USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 70 THR OG1 : rot 0:sc= 0.895 USER MOD Set 3.1: A 10 GLN : amide:sc= -6.71! C(o=-5.6!,f=-8.7!) USER MOD Set 3.2: A 26 TYR OH : rot 93:sc= 1.15 USER MOD Single : A 12 SER OG : rot 177:sc= 0.745 USER MOD Single : A 14 ASN :FLIP amide:sc= -2.2 F(o=-5.1!,f=-2.2) USER MOD Single : A 15 SER OG : rot -70:sc= -7.2! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0331 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -35:sc= 0.127! USER MOD Single : A 24 ASN : amide:sc= -0.0345 X(o=-0.035,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 70:sc= -5.78! USER MOD Single : A 33 TYR OH : rot -40:sc= 0.0246 USER MOD Single : A 35 THR OG1 : rot 32:sc= 0.444 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0702 USER MOD Single : A 46 THR OG1 : rot -19:sc= 0.129! USER MOD Single : A 48 THR OG1 : rot -130:sc= -1.71! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 52:sc= 1.48 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.281 USER MOD Single : A 55 SER OG : rot 24:sc= 0.269 USER MOD Single : A 58 SER OG : rot 80:sc= -2.4! USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.114) USER MOD Single : A 77 SER OG : rot -71:sc= -1 USER MOD Single : A 81 LYS NZ :NH3+ 153:sc= -7.23! (180deg=-8.59!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.238 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.016 USER MOD Single : A 88 SER OG : rot -51:sc= 0.249 USER MOD Single : A 90 ASN : amide:sc= -6.27 K(o=-6.3,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 110 N GLN A 10 51.710 -4.406 -4.801 1.00 0.00 N ATOM 111 CA GLN A 10 50.994 -4.473 -3.494 1.00 0.00 C ATOM 112 C GLN A 10 51.365 -3.271 -2.619 1.00 0.00 C ATOM 113 O GLN A 10 52.264 -2.517 -2.931 1.00 0.00 O ATOM 114 CB GLN A 10 51.474 -5.770 -2.842 1.00 0.00 C ATOM 115 CG GLN A 10 50.364 -6.821 -2.905 1.00 0.00 C ATOM 116 CD GLN A 10 50.893 -8.076 -3.601 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.587 -9.181 -3.201 1.00 0.00 O ATOM 118 NE2 GLN A 10 51.682 -7.950 -4.632 1.00 0.00 N ATOM 0 HA GLN A 10 49.912 -4.453 -3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 10 52.365 -6.137 -3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.754 -5.585 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 10 50.022 -7.066 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 10 49.504 -6.426 -3.446 1.00 0.00 H new ATOM 0 HE21 GLN A 10 51.939 -7.022 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 10 52.042 -8.780 -5.103 1.00 0.00 H new ATOM 127 N LEU A 11 50.679 -3.099 -1.522 1.00 0.00 N ATOM 128 CA LEU A 11 50.984 -1.958 -0.613 1.00 0.00 C ATOM 129 C LEU A 11 50.062 -2.006 0.609 1.00 0.00 C ATOM 130 O LEU A 11 48.963 -1.489 0.590 1.00 0.00 O ATOM 131 CB LEU A 11 50.720 -0.698 -1.441 1.00 0.00 C ATOM 132 CG LEU A 11 51.303 0.523 -0.725 1.00 0.00 C ATOM 133 CD1 LEU A 11 52.718 0.207 -0.237 1.00 0.00 C ATOM 134 CD2 LEU A 11 51.358 1.705 -1.695 1.00 0.00 C ATOM 0 H LEU A 11 49.917 -3.703 -1.215 1.00 0.00 H new ATOM 0 HA LEU A 11 52.009 -1.985 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 11 51.168 -0.800 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 11 49.648 -0.567 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 11 50.672 0.775 0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 11 53.130 1.078 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 11 52.685 -0.635 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 11 53.348 -0.047 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 11 51.773 2.575 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 11 51.988 1.448 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 11 50.352 1.936 -2.045 1.00 0.00 H new ATOM 146 N SER A 12 50.504 -2.632 1.666 1.00 0.00 N ATOM 147 CA SER A 12 49.657 -2.725 2.892 1.00 0.00 C ATOM 148 C SER A 12 48.937 -1.398 3.151 1.00 0.00 C ATOM 149 O SER A 12 49.454 -0.335 2.872 1.00 0.00 O ATOM 150 CB SER A 12 50.639 -3.040 4.022 1.00 0.00 C ATOM 151 OG SER A 12 50.446 -2.118 5.089 1.00 0.00 O ATOM 0 H SER A 12 51.416 -3.084 1.735 1.00 0.00 H new ATOM 0 HA SER A 12 48.880 -3.484 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 12 50.487 -4.060 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 12 51.664 -2.979 3.655 1.00 0.00 H new ATOM 0 HG SER A 12 51.042 -2.348 5.832 1.00 0.00 H new ATOM 157 N ALA A 13 47.745 -1.454 3.682 1.00 0.00 N ATOM 158 CA ALA A 13 46.993 -0.197 3.958 1.00 0.00 C ATOM 159 C ALA A 13 47.776 0.681 4.937 1.00 0.00 C ATOM 160 O ALA A 13 47.482 1.846 5.113 1.00 0.00 O ATOM 161 CB ALA A 13 45.674 -0.652 4.583 1.00 0.00 C ATOM 0 H ALA A 13 47.260 -2.315 3.936 1.00 0.00 H new ATOM 0 HA ALA A 13 46.833 0.395 3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 13 45.062 0.219 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 13 45.141 -1.293 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 13 45.878 -1.207 5.499 1.00 0.00 H new ATOM 167 N ASN A 14 48.770 0.127 5.575 1.00 0.00 N ATOM 168 CA ASN A 14 49.574 0.928 6.541 1.00 0.00 C ATOM 169 C ASN A 14 50.789 1.537 5.833 1.00 0.00 C ATOM 170 O ASN A 14 51.532 2.308 6.408 1.00 0.00 O ATOM 171 CB ASN A 14 50.003 -0.082 7.613 1.00 0.00 C ATOM 172 CG ASN A 14 51.298 0.382 8.290 1.00 0.00 C ATOM 173 OD1 ASN A 14 52.425 0.298 7.635 1.00 0.00 O flip ATOM 174 ND2 ASN A 14 51.283 0.823 9.421 1.00 0.00 N flip ATOM 0 H ASN A 14 49.060 -0.845 5.469 1.00 0.00 H new ATOM 0 HA ASN A 14 49.018 1.761 6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.214 -0.191 8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 14 50.152 -1.062 7.161 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.402 0.888 9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 14 52.151 1.128 9.861 1.00 0.00 H new ATOM 181 N SER A 15 50.998 1.198 4.591 1.00 0.00 N ATOM 182 CA SER A 15 52.162 1.758 3.852 1.00 0.00 C ATOM 183 C SER A 15 51.963 3.257 3.607 1.00 0.00 C ATOM 184 O SER A 15 51.056 3.868 4.134 1.00 0.00 O ATOM 185 CB SER A 15 52.187 0.997 2.529 1.00 0.00 C ATOM 186 OG SER A 15 51.829 1.879 1.472 1.00 0.00 O ATOM 0 H SER A 15 50.412 0.557 4.056 1.00 0.00 H new ATOM 0 HA SER A 15 53.095 1.650 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 15 53.180 0.584 2.353 1.00 0.00 H new ATOM 0 HB3 SER A 15 51.494 0.156 2.567 1.00 0.00 H new ATOM 0 HG SER A 15 50.878 2.104 1.542 1.00 0.00 H new ATOM 192 N LYS A 16 52.804 3.850 2.802 1.00 0.00 N ATOM 193 CA LYS A 16 52.664 5.306 2.515 1.00 0.00 C ATOM 194 C LYS A 16 53.106 5.608 1.079 1.00 0.00 C ATOM 195 O LYS A 16 54.254 5.432 0.723 1.00 0.00 O ATOM 196 CB LYS A 16 53.587 5.994 3.521 1.00 0.00 C ATOM 197 CG LYS A 16 52.960 7.314 3.974 1.00 0.00 C ATOM 198 CD LYS A 16 54.066 8.320 4.292 1.00 0.00 C ATOM 199 CE LYS A 16 53.439 9.666 4.665 1.00 0.00 C ATOM 200 NZ LYS A 16 53.415 9.679 6.154 1.00 0.00 N ATOM 0 H LYS A 16 53.582 3.388 2.331 1.00 0.00 H new ATOM 0 HA LYS A 16 51.634 5.650 2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 16 53.753 5.345 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 54.561 6.179 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 16 52.310 7.707 3.193 1.00 0.00 H new ATOM 0 HG3 LYS A 16 52.338 7.151 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 16 54.681 7.953 5.114 1.00 0.00 H new ATOM 0 HD3 LYS A 16 54.723 8.439 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 16 54.025 10.497 4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 16 52.434 9.761 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 52.998 10.572 6.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 52.845 8.881 6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 54.386 9.594 6.518 1.00 0.00 H new ATOM 214 N CYS A 17 52.202 6.060 0.250 1.00 0.00 N ATOM 215 CA CYS A 17 52.573 6.369 -1.163 1.00 0.00 C ATOM 216 C CYS A 17 52.524 7.885 -1.406 1.00 0.00 C ATOM 217 O CYS A 17 52.508 8.667 -0.477 1.00 0.00 O ATOM 218 CB CYS A 17 51.530 5.640 -2.018 1.00 0.00 C ATOM 219 SG CYS A 17 49.942 6.504 -1.932 1.00 0.00 S ATOM 0 H CYS A 17 51.225 6.228 0.489 1.00 0.00 H new ATOM 0 HA CYS A 17 53.586 6.048 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 17 51.869 5.588 -3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 17 51.414 4.614 -1.668 1.00 0.00 H new ATOM 0 HG CYS A 17 49.067 5.878 -2.662 1.00 0.00 H new ATOM 224 N GLU A 18 52.511 8.301 -2.646 1.00 0.00 N ATOM 225 CA GLU A 18 52.471 9.765 -2.953 1.00 0.00 C ATOM 226 C GLU A 18 53.801 10.425 -2.577 1.00 0.00 C ATOM 227 O GLU A 18 54.363 10.159 -1.534 1.00 0.00 O ATOM 228 CB GLU A 18 51.334 10.333 -2.102 1.00 0.00 C ATOM 229 CG GLU A 18 50.902 11.689 -2.667 1.00 0.00 C ATOM 230 CD GLU A 18 50.321 11.498 -4.067 1.00 0.00 C ATOM 231 OE1 GLU A 18 49.485 10.624 -4.227 1.00 0.00 O ATOM 232 OE2 GLU A 18 50.720 12.231 -4.958 1.00 0.00 O ATOM 0 H GLU A 18 52.526 7.689 -3.462 1.00 0.00 H new ATOM 0 HA GLU A 18 52.311 9.951 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 18 50.490 9.643 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 18 51.660 10.445 -1.068 1.00 0.00 H new ATOM 0 HG2 GLU A 18 50.160 12.147 -2.013 1.00 0.00 H new ATOM 0 HG3 GLU A 18 51.755 12.367 -2.705 1.00 0.00 H new ATOM 239 N LYS A 19 54.309 11.284 -3.421 1.00 0.00 N ATOM 240 CA LYS A 19 55.605 11.958 -3.112 1.00 0.00 C ATOM 241 C LYS A 19 56.730 10.923 -3.058 1.00 0.00 C ATOM 242 O LYS A 19 57.604 10.980 -2.217 1.00 0.00 O ATOM 243 CB LYS A 19 55.404 12.607 -1.742 1.00 0.00 C ATOM 244 CG LYS A 19 55.353 14.129 -1.899 1.00 0.00 C ATOM 245 CD LYS A 19 56.431 14.770 -1.021 1.00 0.00 C ATOM 246 CE LYS A 19 57.254 15.754 -1.858 1.00 0.00 C ATOM 247 NZ LYS A 19 56.655 17.089 -1.584 1.00 0.00 N ATOM 0 H LYS A 19 53.884 11.548 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 19 55.881 12.693 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.480 12.247 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 19 56.217 12.327 -1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 19 55.509 14.403 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 19 54.369 14.502 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 19 55.970 15.288 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 19 57.080 14.000 -0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.306 15.728 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 19 57.203 15.509 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 57.167 17.816 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 55.655 17.086 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 56.724 17.299 -0.568 1.00 0.00 H new ATOM 261 N SER A 20 56.708 9.975 -3.953 1.00 0.00 N ATOM 262 CA SER A 20 57.769 8.928 -3.963 1.00 0.00 C ATOM 263 C SER A 20 57.804 8.247 -5.332 1.00 0.00 C ATOM 264 O SER A 20 56.924 8.436 -6.149 1.00 0.00 O ATOM 265 CB SER A 20 57.350 7.937 -2.877 1.00 0.00 C ATOM 266 OG SER A 20 58.473 7.150 -2.502 1.00 0.00 O ATOM 0 H SER A 20 55.999 9.880 -4.680 1.00 0.00 H new ATOM 0 HA SER A 20 58.764 9.332 -3.779 1.00 0.00 H new ATOM 0 HB2 SER A 20 56.961 8.472 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 20 56.548 7.296 -3.243 1.00 0.00 H new ATOM 0 HG SER A 20 58.209 6.514 -1.804 1.00 0.00 H new ATOM 272 N THR A 21 58.806 7.455 -5.595 1.00 0.00 N ATOM 273 CA THR A 21 58.878 6.769 -6.917 1.00 0.00 C ATOM 274 C THR A 21 58.554 5.284 -6.744 1.00 0.00 C ATOM 275 O THR A 21 59.355 4.517 -6.249 1.00 0.00 O ATOM 276 CB THR A 21 60.319 6.963 -7.388 1.00 0.00 C ATOM 277 OG1 THR A 21 60.542 8.338 -7.669 1.00 0.00 O ATOM 278 CG2 THR A 21 60.560 6.138 -8.654 1.00 0.00 C ATOM 0 H THR A 21 59.575 7.253 -4.956 1.00 0.00 H new ATOM 0 HA THR A 21 58.166 7.169 -7.638 1.00 0.00 H new ATOM 0 HB THR A 21 61.004 6.634 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 21 61.466 8.465 -7.970 1.00 0.00 H new ATOM 0 HG21 THR A 21 61.588 6.277 -8.989 1.00 0.00 H new ATOM 0 HG22 THR A 21 60.388 5.083 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 21 59.876 6.465 -9.437 1.00 0.00 H new ATOM 286 N LEU A 22 57.380 4.873 -7.133 1.00 0.00 N ATOM 287 CA LEU A 22 57.004 3.442 -6.970 1.00 0.00 C ATOM 288 C LEU A 22 57.136 2.688 -8.297 1.00 0.00 C ATOM 289 O LEU A 22 56.977 3.248 -9.365 1.00 0.00 O ATOM 290 CB LEU A 22 55.543 3.466 -6.512 1.00 0.00 C ATOM 291 CG LEU A 22 55.403 4.310 -5.237 1.00 0.00 C ATOM 292 CD1 LEU A 22 56.564 4.014 -4.284 1.00 0.00 C ATOM 293 CD2 LEU A 22 55.412 5.796 -5.604 1.00 0.00 C ATOM 0 H LEU A 22 56.666 5.465 -7.556 1.00 0.00 H new ATOM 0 HA LEU A 22 57.652 2.931 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 22 54.913 3.878 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 22 55.196 2.450 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 22 54.463 4.060 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 22 56.457 4.617 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 22 56.555 2.957 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 22 57.507 4.257 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 22 55.313 6.395 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 22 56.350 6.042 -6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 22 54.579 6.010 -6.274 1.00 0.00 H new ATOM 305 N THR A 23 57.423 1.418 -8.227 1.00 0.00 N ATOM 306 CA THR A 23 57.562 0.599 -9.464 1.00 0.00 C ATOM 307 C THR A 23 57.491 -0.886 -9.096 1.00 0.00 C ATOM 308 O THR A 23 58.473 -1.488 -8.713 1.00 0.00 O ATOM 309 CB THR A 23 58.941 0.952 -10.023 1.00 0.00 C ATOM 310 OG1 THR A 23 59.088 2.364 -10.056 1.00 0.00 O ATOM 311 CG2 THR A 23 59.078 0.388 -11.437 1.00 0.00 C ATOM 0 H THR A 23 57.569 0.907 -7.356 1.00 0.00 H new ATOM 0 HA THR A 23 56.775 0.794 -10.192 1.00 0.00 H new ATOM 0 HB THR A 23 59.714 0.521 -9.387 1.00 0.00 H new ATOM 0 HG1 THR A 23 58.227 2.778 -10.275 1.00 0.00 H new ATOM 0 HG21 THR A 23 60.061 0.640 -11.835 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.964 -0.696 -11.409 1.00 0.00 H new ATOM 0 HG23 THR A 23 58.307 0.817 -12.076 1.00 0.00 H new ATOM 319 N ASN A 24 56.330 -1.475 -9.190 1.00 0.00 N ATOM 320 CA ASN A 24 56.194 -2.914 -8.825 1.00 0.00 C ATOM 321 C ASN A 24 56.437 -3.087 -7.322 1.00 0.00 C ATOM 322 O ASN A 24 56.963 -4.087 -6.877 1.00 0.00 O ATOM 323 CB ASN A 24 57.271 -3.645 -9.632 1.00 0.00 C ATOM 324 CG ASN A 24 56.602 -4.574 -10.647 1.00 0.00 C ATOM 325 OD1 ASN A 24 56.929 -5.742 -10.723 1.00 0.00 O ATOM 326 ND2 ASN A 24 55.676 -4.104 -11.437 1.00 0.00 N ATOM 0 H ASN A 24 55.471 -1.023 -9.503 1.00 0.00 H new ATOM 0 HA ASN A 24 55.200 -3.305 -9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 24 57.908 -2.925 -10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 24 57.914 -4.219 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 24 55.227 -4.717 -12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 24 55.401 -3.124 -11.374 1.00 0.00 H new ATOM 333 N CYS A 25 56.064 -2.107 -6.543 1.00 0.00 N ATOM 334 CA CYS A 25 56.276 -2.190 -5.067 1.00 0.00 C ATOM 335 C CYS A 25 55.542 -3.400 -4.476 1.00 0.00 C ATOM 336 O CYS A 25 55.211 -4.342 -5.164 1.00 0.00 O ATOM 337 CB CYS A 25 55.682 -0.893 -4.510 1.00 0.00 C ATOM 338 SG CYS A 25 56.642 0.524 -5.091 1.00 0.00 S ATOM 0 H CYS A 25 55.619 -1.248 -6.867 1.00 0.00 H new ATOM 0 HA CYS A 25 57.330 -2.309 -4.817 1.00 0.00 H new ATOM 0 HB2 CYS A 25 54.643 -0.794 -4.826 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.683 -0.921 -3.420 1.00 0.00 H new ATOM 343 N TYR A 26 55.291 -3.362 -3.196 1.00 0.00 N ATOM 344 CA TYR A 26 54.580 -4.480 -2.514 1.00 0.00 C ATOM 345 C TYR A 26 54.452 -4.129 -1.033 1.00 0.00 C ATOM 346 O TYR A 26 53.409 -4.272 -0.428 1.00 0.00 O ATOM 347 CB TYR A 26 55.469 -5.708 -2.713 1.00 0.00 C ATOM 348 CG TYR A 26 54.655 -6.959 -2.484 1.00 0.00 C ATOM 349 CD1 TYR A 26 54.034 -7.172 -1.249 1.00 0.00 C ATOM 350 CD2 TYR A 26 54.524 -7.906 -3.507 1.00 0.00 C ATOM 351 CE1 TYR A 26 53.279 -8.332 -1.035 1.00 0.00 C ATOM 352 CE2 TYR A 26 53.770 -9.066 -3.294 1.00 0.00 C ATOM 353 CZ TYR A 26 53.147 -9.279 -2.058 1.00 0.00 C ATOM 354 OH TYR A 26 52.404 -10.422 -1.848 1.00 0.00 O ATOM 0 H TYR A 26 55.553 -2.590 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 26 53.579 -4.662 -2.906 1.00 0.00 H new ATOM 0 HB2 TYR A 26 55.884 -5.711 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 26 56.311 -5.677 -2.021 1.00 0.00 H new ATOM 0 HD1 TYR A 26 54.137 -6.442 -0.460 1.00 0.00 H new ATOM 0 HD2 TYR A 26 55.005 -7.742 -4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 26 52.799 -8.496 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 26 53.669 -9.797 -4.083 1.00 0.00 H new ATOM 0 HH TYR A 26 51.481 -10.271 -2.141 1.00 0.00 H new ATOM 364 N VAL A 27 55.517 -3.631 -0.466 1.00 0.00 N ATOM 365 CA VAL A 27 55.503 -3.213 0.968 1.00 0.00 C ATOM 366 C VAL A 27 54.641 -4.160 1.812 1.00 0.00 C ATOM 367 O VAL A 27 54.378 -5.285 1.437 1.00 0.00 O ATOM 368 CB VAL A 27 54.911 -1.792 0.958 1.00 0.00 C ATOM 369 CG1 VAL A 27 55.390 -1.016 2.189 1.00 0.00 C ATOM 370 CG2 VAL A 27 55.367 -1.046 -0.303 1.00 0.00 C ATOM 0 H VAL A 27 56.409 -3.494 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 27 56.499 -3.240 1.410 1.00 0.00 H new ATOM 0 HB VAL A 27 53.824 -1.868 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 27 54.966 -0.012 2.174 1.00 0.00 H new ATOM 0 HG12 VAL A 27 55.067 -1.532 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 27 56.478 -0.951 2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 27 54.945 -0.041 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.455 -0.982 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.026 -1.584 -1.187 1.00 0.00 H new ATOM 380 N ASP A 28 54.213 -3.704 2.956 1.00 0.00 N ATOM 381 CA ASP A 28 53.378 -4.547 3.856 1.00 0.00 C ATOM 382 C ASP A 28 53.208 -3.816 5.190 1.00 0.00 C ATOM 383 O ASP A 28 52.199 -3.928 5.856 1.00 0.00 O ATOM 384 CB ASP A 28 54.173 -5.841 4.044 1.00 0.00 C ATOM 385 CG ASP A 28 53.403 -7.009 3.426 1.00 0.00 C ATOM 386 OD1 ASP A 28 52.192 -6.906 3.322 1.00 0.00 O ATOM 387 OD2 ASP A 28 54.037 -7.989 3.068 1.00 0.00 O ATOM 0 H ASP A 28 54.410 -2.768 3.311 1.00 0.00 H new ATOM 0 HA ASP A 28 52.385 -4.750 3.456 1.00 0.00 H new ATOM 0 HB2 ASP A 28 55.153 -5.749 3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 54.343 -6.025 5.105 1.00 0.00 H new ATOM 392 N LYS A 29 54.200 -3.055 5.566 1.00 0.00 N ATOM 393 CA LYS A 29 54.138 -2.282 6.839 1.00 0.00 C ATOM 394 C LYS A 29 55.303 -1.293 6.881 1.00 0.00 C ATOM 395 O LYS A 29 56.054 -1.240 7.834 1.00 0.00 O ATOM 396 CB LYS A 29 54.275 -3.318 7.957 1.00 0.00 C ATOM 397 CG LYS A 29 52.937 -3.460 8.684 1.00 0.00 C ATOM 398 CD LYS A 29 52.974 -4.693 9.588 1.00 0.00 C ATOM 399 CE LYS A 29 52.774 -5.952 8.742 1.00 0.00 C ATOM 400 NZ LYS A 29 52.215 -6.961 9.684 1.00 0.00 N ATOM 0 H LYS A 29 55.064 -2.935 5.037 1.00 0.00 H new ATOM 0 HA LYS A 29 53.213 -1.714 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 29 54.580 -4.279 7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 29 55.052 -3.012 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 29 52.737 -2.567 9.277 1.00 0.00 H new ATOM 0 HG3 LYS A 29 52.126 -3.551 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 29 53.927 -4.743 10.114 1.00 0.00 H new ATOM 0 HD3 LYS A 29 52.195 -4.624 10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 29 52.093 -5.766 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 29 53.716 -6.292 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 52.050 -7.854 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 52.888 -7.122 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 51.316 -6.612 10.073 1.00 0.00 H new ATOM 414 N SER A 30 55.470 -0.520 5.841 1.00 0.00 N ATOM 415 CA SER A 30 56.600 0.451 5.812 1.00 0.00 C ATOM 416 C SER A 30 56.103 1.864 5.494 1.00 0.00 C ATOM 417 O SER A 30 54.922 2.146 5.539 1.00 0.00 O ATOM 418 CB SER A 30 57.508 -0.053 4.692 1.00 0.00 C ATOM 419 OG SER A 30 58.176 -1.231 5.124 1.00 0.00 O ATOM 0 H SER A 30 54.874 -0.519 5.013 1.00 0.00 H new ATOM 0 HA SER A 30 57.110 0.512 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 30 56.921 -0.261 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.235 0.714 4.424 1.00 0.00 H new ATOM 0 HG SER A 30 57.531 -1.966 5.194 1.00 0.00 H new ATOM 425 N GLU A 31 57.006 2.752 5.175 1.00 0.00 N ATOM 426 CA GLU A 31 56.602 4.154 4.853 1.00 0.00 C ATOM 427 C GLU A 31 57.222 4.587 3.521 1.00 0.00 C ATOM 428 O GLU A 31 56.529 4.831 2.555 1.00 0.00 O ATOM 429 CB GLU A 31 57.158 4.999 5.999 1.00 0.00 C ATOM 430 CG GLU A 31 56.061 5.918 6.541 1.00 0.00 C ATOM 431 CD GLU A 31 56.521 6.535 7.863 1.00 0.00 C ATOM 432 OE1 GLU A 31 57.437 5.992 8.460 1.00 0.00 O ATOM 433 OE2 GLU A 31 55.952 7.539 8.256 1.00 0.00 O ATOM 0 H GLU A 31 58.008 2.568 5.123 1.00 0.00 H new ATOM 0 HA GLU A 31 55.522 4.261 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 31 57.529 4.352 6.794 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.003 5.592 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 31 55.839 6.703 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.140 5.354 6.691 1.00 0.00 H new ATOM 440 N VAL A 32 58.524 4.679 3.466 1.00 0.00 N ATOM 441 CA VAL A 32 59.201 5.090 2.199 1.00 0.00 C ATOM 442 C VAL A 32 58.882 6.555 1.877 1.00 0.00 C ATOM 443 O VAL A 32 57.811 7.046 2.172 1.00 0.00 O ATOM 444 CB VAL A 32 58.639 4.165 1.113 1.00 0.00 C ATOM 445 CG1 VAL A 32 59.544 4.229 -0.116 1.00 0.00 C ATOM 446 CG2 VAL A 32 58.588 2.717 1.618 1.00 0.00 C ATOM 0 H VAL A 32 59.151 4.487 4.247 1.00 0.00 H new ATOM 0 HA VAL A 32 60.285 5.009 2.273 1.00 0.00 H new ATOM 0 HB VAL A 32 57.630 4.490 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.150 3.573 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 32 59.579 5.253 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.549 3.907 0.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.187 2.073 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 32 59.593 2.387 1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 32 57.947 2.661 2.498 1.00 0.00 H new ATOM 456 N TYR A 33 59.805 7.258 1.272 1.00 0.00 N ATOM 457 CA TYR A 33 59.548 8.690 0.933 1.00 0.00 C ATOM 458 C TYR A 33 60.000 8.995 -0.500 1.00 0.00 C ATOM 459 O TYR A 33 59.259 9.553 -1.286 1.00 0.00 O ATOM 460 CB TYR A 33 60.378 9.499 1.932 1.00 0.00 C ATOM 461 CG TYR A 33 59.625 9.626 3.236 1.00 0.00 C ATOM 462 CD1 TYR A 33 59.691 8.602 4.188 1.00 0.00 C ATOM 463 CD2 TYR A 33 58.864 10.772 3.493 1.00 0.00 C ATOM 464 CE1 TYR A 33 58.996 8.724 5.397 1.00 0.00 C ATOM 465 CE2 TYR A 33 58.169 10.894 4.702 1.00 0.00 C ATOM 466 CZ TYR A 33 58.235 9.870 5.654 1.00 0.00 C ATOM 467 OH TYR A 33 57.549 9.992 6.846 1.00 0.00 O ATOM 0 H TYR A 33 60.722 6.904 0.999 1.00 0.00 H new ATOM 0 HA TYR A 33 58.487 8.933 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 33 61.338 9.011 2.101 1.00 0.00 H new ATOM 0 HB3 TYR A 33 60.591 10.488 1.526 1.00 0.00 H new ATOM 0 HD1 TYR A 33 60.278 7.718 3.990 1.00 0.00 H new ATOM 0 HD2 TYR A 33 58.813 11.562 2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 33 59.047 7.934 6.131 1.00 0.00 H new ATOM 0 HE2 TYR A 33 57.582 11.778 4.900 1.00 0.00 H new ATOM 0 HH TYR A 33 57.158 9.127 7.089 1.00 0.00 H new ATOM 477 N GLY A 34 61.211 8.644 -0.846 1.00 0.00 N ATOM 478 CA GLY A 34 61.701 8.929 -2.228 1.00 0.00 C ATOM 479 C GLY A 34 62.429 7.706 -2.789 1.00 0.00 C ATOM 480 O GLY A 34 63.388 7.825 -3.524 1.00 0.00 O ATOM 0 H GLY A 34 61.879 8.175 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.862 9.190 -2.873 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.373 9.787 -2.215 1.00 0.00 H new ATOM 484 N THR A 35 61.977 6.529 -2.454 1.00 0.00 N ATOM 485 CA THR A 35 62.639 5.297 -2.976 1.00 0.00 C ATOM 486 C THR A 35 62.110 4.975 -4.378 1.00 0.00 C ATOM 487 O THR A 35 60.926 5.055 -4.634 1.00 0.00 O ATOM 488 CB THR A 35 62.255 4.201 -1.978 1.00 0.00 C ATOM 489 OG1 THR A 35 63.008 4.365 -0.785 1.00 0.00 O ATOM 490 CG2 THR A 35 62.546 2.830 -2.580 1.00 0.00 C ATOM 0 H THR A 35 61.178 6.366 -1.841 1.00 0.00 H new ATOM 0 HA THR A 35 63.720 5.402 -3.066 1.00 0.00 H new ATOM 0 HB THR A 35 61.191 4.275 -1.752 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.181 5.318 -0.636 1.00 0.00 H new ATOM 0 HG21 THR A 35 62.271 2.053 -1.866 1.00 0.00 H new ATOM 0 HG22 THR A 35 61.967 2.704 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 35 63.609 2.752 -2.810 1.00 0.00 H new ATOM 498 N THR A 36 62.979 4.621 -5.289 1.00 0.00 N ATOM 499 CA THR A 36 62.523 4.305 -6.678 1.00 0.00 C ATOM 500 C THR A 36 61.713 3.006 -6.692 1.00 0.00 C ATOM 501 O THR A 36 61.079 2.668 -7.671 1.00 0.00 O ATOM 502 CB THR A 36 63.809 4.144 -7.489 1.00 0.00 C ATOM 503 OG1 THR A 36 64.633 5.286 -7.298 1.00 0.00 O ATOM 504 CG2 THR A 36 63.465 4.002 -8.973 1.00 0.00 C ATOM 0 H THR A 36 63.983 4.537 -5.133 1.00 0.00 H new ATOM 0 HA THR A 36 61.877 5.083 -7.085 1.00 0.00 H new ATOM 0 HB THR A 36 64.340 3.252 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 36 65.459 5.184 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 36 64.383 3.887 -9.550 1.00 0.00 H new ATOM 0 HG22 THR A 36 62.833 3.126 -9.118 1.00 0.00 H new ATOM 0 HG23 THR A 36 62.933 4.892 -9.310 1.00 0.00 H new ATOM 512 N CYS A 37 61.727 2.283 -5.610 1.00 0.00 N ATOM 513 CA CYS A 37 60.959 1.008 -5.546 1.00 0.00 C ATOM 514 C CYS A 37 61.124 0.216 -6.845 1.00 0.00 C ATOM 515 O CYS A 37 60.162 -0.236 -7.433 1.00 0.00 O ATOM 516 CB CYS A 37 59.503 1.429 -5.364 1.00 0.00 C ATOM 517 SG CYS A 37 58.559 0.048 -4.677 1.00 0.00 S ATOM 0 H CYS A 37 62.240 2.521 -4.761 1.00 0.00 H new ATOM 0 HA CYS A 37 61.305 0.365 -4.737 1.00 0.00 H new ATOM 0 HB2 CYS A 37 59.443 2.291 -4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 37 59.079 1.733 -6.321 1.00 0.00 H new ATOM 522 N THR A 38 62.335 0.036 -7.293 1.00 0.00 N ATOM 523 CA THR A 38 62.552 -0.737 -8.549 1.00 0.00 C ATOM 524 C THR A 38 62.175 -2.203 -8.325 1.00 0.00 C ATOM 525 O THR A 38 63.012 -3.083 -8.352 1.00 0.00 O ATOM 526 CB THR A 38 64.046 -0.603 -8.849 1.00 0.00 C ATOM 527 OG1 THR A 38 64.362 0.764 -9.073 1.00 0.00 O ATOM 528 CG2 THR A 38 64.390 -1.420 -10.096 1.00 0.00 C ATOM 0 H THR A 38 63.181 0.389 -6.846 1.00 0.00 H new ATOM 0 HA THR A 38 61.943 -0.370 -9.375 1.00 0.00 H new ATOM 0 HB THR A 38 64.623 -0.974 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 38 65.319 0.851 -9.264 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.454 -1.325 -10.311 1.00 0.00 H new ATOM 0 HG22 THR A 38 64.147 -2.468 -9.923 1.00 0.00 H new ATOM 0 HG23 THR A 38 63.814 -1.049 -10.944 1.00 0.00 H new ATOM 536 N GLY A 39 60.918 -2.470 -8.097 1.00 0.00 N ATOM 537 CA GLY A 39 60.485 -3.876 -7.864 1.00 0.00 C ATOM 538 C GLY A 39 61.034 -4.359 -6.521 1.00 0.00 C ATOM 539 O GLY A 39 61.976 -5.125 -6.463 1.00 0.00 O ATOM 0 H GLY A 39 60.172 -1.775 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 39 59.397 -3.939 -7.869 1.00 0.00 H new ATOM 0 HA3 GLY A 39 60.845 -4.517 -8.669 1.00 0.00 H new ATOM 543 N SER A 40 60.454 -3.916 -5.439 1.00 0.00 N ATOM 544 CA SER A 40 60.945 -4.347 -4.097 1.00 0.00 C ATOM 545 C SER A 40 59.775 -4.441 -3.113 1.00 0.00 C ATOM 546 O SER A 40 58.738 -3.839 -3.307 1.00 0.00 O ATOM 547 CB SER A 40 61.928 -3.258 -3.662 1.00 0.00 C ATOM 548 OG SER A 40 62.223 -2.416 -4.771 1.00 0.00 O ATOM 0 H SER A 40 59.661 -3.274 -5.425 1.00 0.00 H new ATOM 0 HA SER A 40 61.416 -5.329 -4.126 1.00 0.00 H new ATOM 0 HB2 SER A 40 61.501 -2.671 -2.849 1.00 0.00 H new ATOM 0 HB3 SER A 40 62.844 -3.710 -3.281 1.00 0.00 H new ATOM 0 HG SER A 40 62.851 -1.717 -4.493 1.00 0.00 H new ATOM 554 N ARG A 41 59.934 -5.193 -2.057 1.00 0.00 N ATOM 555 CA ARG A 41 58.830 -5.326 -1.063 1.00 0.00 C ATOM 556 C ARG A 41 59.364 -5.119 0.356 1.00 0.00 C ATOM 557 O ARG A 41 60.546 -5.234 0.609 1.00 0.00 O ATOM 558 CB ARG A 41 58.311 -6.756 -1.234 1.00 0.00 C ATOM 559 CG ARG A 41 57.411 -7.117 -0.049 1.00 0.00 C ATOM 560 CD ARG A 41 56.761 -8.480 -0.297 1.00 0.00 C ATOM 561 NE ARG A 41 57.376 -9.387 0.711 1.00 0.00 N ATOM 562 CZ ARG A 41 57.413 -10.674 0.493 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.455 -11.249 -0.181 1.00 0.00 N ATOM 564 NH2 ARG A 41 58.407 -11.384 0.952 1.00 0.00 N ATOM 0 H ARG A 41 60.780 -5.720 -1.840 1.00 0.00 H new ATOM 0 HA ARG A 41 58.046 -4.585 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 41 57.754 -6.843 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 41 59.147 -7.453 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 41 57.996 -7.143 0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 41 56.643 -6.355 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 41 55.679 -8.430 -0.175 1.00 0.00 H new ATOM 0 HD3 ARG A 41 56.952 -8.830 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 41 57.768 -9.003 1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 41 55.678 -10.693 -0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 41 56.484 -12.254 -0.351 1.00 0.00 H new ATOM 0 HH21 ARG A 41 59.154 -10.934 1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 41 58.437 -12.389 0.782 1.00 0.00 H new ATOM 578 N PHE A 42 58.497 -4.818 1.285 1.00 0.00 N ATOM 579 CA PHE A 42 58.953 -4.607 2.691 1.00 0.00 C ATOM 580 C PHE A 42 58.043 -5.371 3.654 1.00 0.00 C ATOM 581 O PHE A 42 57.233 -6.180 3.248 1.00 0.00 O ATOM 582 CB PHE A 42 58.838 -3.099 2.929 1.00 0.00 C ATOM 583 CG PHE A 42 59.374 -2.349 1.733 1.00 0.00 C ATOM 584 CD1 PHE A 42 60.663 -2.616 1.258 1.00 0.00 C ATOM 585 CD2 PHE A 42 58.578 -1.391 1.096 1.00 0.00 C ATOM 586 CE1 PHE A 42 61.156 -1.920 0.147 1.00 0.00 C ATOM 587 CE2 PHE A 42 59.068 -0.698 -0.014 1.00 0.00 C ATOM 588 CZ PHE A 42 60.357 -0.963 -0.489 1.00 0.00 C ATOM 0 H PHE A 42 57.494 -4.709 1.133 1.00 0.00 H new ATOM 0 HA PHE A 42 59.969 -4.966 2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 42 57.797 -2.828 3.103 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.394 -2.820 3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 42 61.277 -3.358 1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 42 57.583 -1.187 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 42 62.152 -2.122 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 42 58.452 0.041 -0.505 1.00 0.00 H new ATOM 0 HZ PHE A 42 60.736 -0.428 -1.348 1.00 0.00 H new ATOM 598 N ASP A 43 58.167 -5.119 4.928 1.00 0.00 N ATOM 599 CA ASP A 43 57.306 -5.830 5.917 1.00 0.00 C ATOM 600 C ASP A 43 57.542 -5.268 7.317 1.00 0.00 C ATOM 601 O ASP A 43 57.757 -5.999 8.263 1.00 0.00 O ATOM 602 CB ASP A 43 57.735 -7.297 5.845 1.00 0.00 C ATOM 603 CG ASP A 43 56.498 -8.184 5.690 1.00 0.00 C ATOM 604 OD1 ASP A 43 55.665 -7.865 4.858 1.00 0.00 O ATOM 605 OD2 ASP A 43 56.406 -9.168 6.406 1.00 0.00 O ATOM 0 H ASP A 43 58.827 -4.452 5.328 1.00 0.00 H new ATOM 0 HA ASP A 43 56.245 -5.710 5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.412 -7.448 5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 43 58.282 -7.572 6.747 1.00 0.00 H new ATOM 610 N GLY A 44 57.496 -3.974 7.457 1.00 0.00 N ATOM 611 CA GLY A 44 57.710 -3.367 8.796 1.00 0.00 C ATOM 612 C GLY A 44 58.987 -2.521 8.782 1.00 0.00 C ATOM 613 O GLY A 44 59.920 -2.778 9.515 1.00 0.00 O ATOM 0 H GLY A 44 57.319 -3.312 6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 44 56.855 -2.747 9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 44 57.788 -4.149 9.552 1.00 0.00 H new ATOM 617 N VAL A 45 59.045 -1.515 7.955 1.00 0.00 N ATOM 618 CA VAL A 45 60.277 -0.674 7.913 1.00 0.00 C ATOM 619 C VAL A 45 59.915 0.813 7.890 1.00 0.00 C ATOM 620 O VAL A 45 58.786 1.198 8.117 1.00 0.00 O ATOM 621 CB VAL A 45 61.022 -1.081 6.622 1.00 0.00 C ATOM 622 CG1 VAL A 45 60.758 -2.553 6.299 1.00 0.00 C ATOM 623 CG2 VAL A 45 60.557 -0.224 5.437 1.00 0.00 C ATOM 0 H VAL A 45 58.302 -1.239 7.312 1.00 0.00 H new ATOM 0 HA VAL A 45 60.899 -0.829 8.795 1.00 0.00 H new ATOM 0 HB VAL A 45 62.088 -0.925 6.787 1.00 0.00 H new ATOM 0 HG11 VAL A 45 61.289 -2.826 5.387 1.00 0.00 H new ATOM 0 HG12 VAL A 45 61.108 -3.175 7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 45 59.689 -2.708 6.157 1.00 0.00 H new ATOM 0 HG21 VAL A 45 61.093 -0.526 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 45 59.487 -0.363 5.285 1.00 0.00 H new ATOM 0 HG23 VAL A 45 60.761 0.826 5.646 1.00 0.00 H new ATOM 633 N THR A 46 60.874 1.642 7.600 1.00 0.00 N ATOM 634 CA THR A 46 60.618 3.105 7.537 1.00 0.00 C ATOM 635 C THR A 46 61.662 3.752 6.631 1.00 0.00 C ATOM 636 O THR A 46 62.382 4.645 7.030 1.00 0.00 O ATOM 637 CB THR A 46 60.771 3.605 8.974 1.00 0.00 C ATOM 638 OG1 THR A 46 59.896 2.877 9.824 1.00 0.00 O ATOM 639 CG2 THR A 46 60.427 5.093 9.034 1.00 0.00 C ATOM 0 H THR A 46 61.836 1.366 7.402 1.00 0.00 H new ATOM 0 HA THR A 46 59.633 3.345 7.137 1.00 0.00 H new ATOM 0 HB THR A 46 61.799 3.458 9.304 1.00 0.00 H new ATOM 0 HG1 THR A 46 59.190 2.460 9.287 1.00 0.00 H new ATOM 0 HG21 THR A 46 60.536 5.451 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 46 61.101 5.649 8.382 1.00 0.00 H new ATOM 0 HG23 THR A 46 59.399 5.242 8.705 1.00 0.00 H new ATOM 647 N ILE A 47 61.760 3.293 5.414 1.00 0.00 N ATOM 648 CA ILE A 47 62.769 3.865 4.485 1.00 0.00 C ATOM 649 C ILE A 47 62.282 5.197 3.919 1.00 0.00 C ATOM 650 O ILE A 47 61.140 5.575 4.075 1.00 0.00 O ATOM 651 CB ILE A 47 62.911 2.834 3.365 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.809 3.404 2.264 1.00 0.00 C ATOM 653 CG2 ILE A 47 61.532 2.513 2.784 1.00 0.00 C ATOM 654 CD1 ILE A 47 64.237 2.283 1.313 1.00 0.00 C ATOM 0 H ILE A 47 61.184 2.547 5.025 1.00 0.00 H new ATOM 0 HA ILE A 47 63.717 4.061 4.986 1.00 0.00 H new ATOM 0 HB ILE A 47 63.355 1.922 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.276 4.178 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 47 64.688 3.874 2.706 1.00 0.00 H new ATOM 0 HG21 ILE A 47 61.636 1.778 1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 47 60.892 2.109 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 47 61.085 3.423 2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 47 64.876 2.693 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 47 64.787 1.524 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.354 1.833 0.860 1.00 0.00 H new ATOM 666 N THR A 48 63.149 5.900 3.251 1.00 0.00 N ATOM 667 CA THR A 48 62.761 7.204 2.650 1.00 0.00 C ATOM 668 C THR A 48 63.400 7.312 1.263 1.00 0.00 C ATOM 669 O THR A 48 63.336 6.390 0.475 1.00 0.00 O ATOM 670 CB THR A 48 63.320 8.264 3.603 1.00 0.00 C ATOM 671 OG1 THR A 48 64.714 8.051 3.779 1.00 0.00 O ATOM 672 CG2 THR A 48 62.613 8.164 4.956 1.00 0.00 C ATOM 0 H THR A 48 64.119 5.625 3.094 1.00 0.00 H new ATOM 0 HA THR A 48 61.685 7.321 2.526 1.00 0.00 H new ATOM 0 HB THR A 48 63.152 9.255 3.182 1.00 0.00 H new ATOM 0 HG1 THR A 48 64.926 8.047 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 48 63.013 8.920 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 48 61.544 8.327 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 48 62.778 7.174 5.380 1.00 0.00 H new ATOM 680 N THR A 49 64.035 8.409 0.956 1.00 0.00 N ATOM 681 CA THR A 49 64.685 8.519 -0.379 1.00 0.00 C ATOM 682 C THR A 49 65.745 7.426 -0.508 1.00 0.00 C ATOM 683 O THR A 49 66.634 7.322 0.311 1.00 0.00 O ATOM 684 CB THR A 49 65.344 9.896 -0.396 1.00 0.00 C ATOM 685 OG1 THR A 49 64.340 10.903 -0.419 1.00 0.00 O ATOM 686 CG2 THR A 49 66.224 10.018 -1.639 1.00 0.00 C ATOM 0 H THR A 49 64.131 9.223 1.562 1.00 0.00 H new ATOM 0 HA THR A 49 63.978 8.403 -1.201 1.00 0.00 H new ATOM 0 HB THR A 49 65.957 10.020 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 49 64.763 11.787 -0.428 1.00 0.00 H new ATOM 0 HG21 THR A 49 66.697 11.000 -1.655 1.00 0.00 H new ATOM 0 HG22 THR A 49 66.993 9.246 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 49 65.611 9.896 -2.532 1.00 0.00 H new ATOM 694 N SER A 50 65.660 6.604 -1.513 1.00 0.00 N ATOM 695 CA SER A 50 66.674 5.523 -1.660 1.00 0.00 C ATOM 696 C SER A 50 66.598 4.900 -3.054 1.00 0.00 C ATOM 697 O SER A 50 65.574 4.926 -3.702 1.00 0.00 O ATOM 698 CB SER A 50 66.303 4.493 -0.595 1.00 0.00 C ATOM 699 OG SER A 50 67.138 4.671 0.542 1.00 0.00 O ATOM 0 H SER A 50 64.939 6.631 -2.234 1.00 0.00 H new ATOM 0 HA SER A 50 67.691 5.895 -1.539 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.256 4.606 -0.313 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.420 3.485 -0.992 1.00 0.00 H new ATOM 0 HG SER A 50 67.113 5.610 0.822 1.00 0.00 H new ATOM 705 N THR A 51 67.672 4.333 -3.520 1.00 0.00 N ATOM 706 CA THR A 51 67.642 3.707 -4.872 1.00 0.00 C ATOM 707 C THR A 51 67.665 2.180 -4.743 1.00 0.00 C ATOM 708 O THR A 51 67.960 1.472 -5.684 1.00 0.00 O ATOM 709 CB THR A 51 68.904 4.208 -5.575 1.00 0.00 C ATOM 710 OG1 THR A 51 69.147 5.557 -5.203 1.00 0.00 O ATOM 711 CG2 THR A 51 68.718 4.120 -7.091 1.00 0.00 C ATOM 0 H THR A 51 68.564 4.275 -3.029 1.00 0.00 H new ATOM 0 HA THR A 51 66.742 3.967 -5.428 1.00 0.00 H new ATOM 0 HB THR A 51 69.753 3.590 -5.281 1.00 0.00 H new ATOM 0 HG1 THR A 51 69.957 5.879 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 51 69.619 4.478 -7.589 1.00 0.00 H new ATOM 0 HG22 THR A 51 68.533 3.084 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 51 67.869 4.735 -7.390 1.00 0.00 H new ATOM 719 N SER A 52 67.359 1.674 -3.578 1.00 0.00 N ATOM 720 CA SER A 52 67.362 0.195 -3.370 1.00 0.00 C ATOM 721 C SER A 52 66.784 -0.521 -4.597 1.00 0.00 C ATOM 722 O SER A 52 65.681 -0.243 -5.025 1.00 0.00 O ATOM 723 CB SER A 52 66.470 -0.036 -2.150 1.00 0.00 C ATOM 724 OG SER A 52 66.227 1.205 -1.499 1.00 0.00 O ATOM 0 H SER A 52 67.106 2.224 -2.757 1.00 0.00 H new ATOM 0 HA SER A 52 68.369 -0.195 -3.222 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.527 -0.489 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 52 66.950 -0.732 -1.462 1.00 0.00 H new ATOM 0 HG SER A 52 65.654 1.058 -0.718 1.00 0.00 H new ATOM 730 N THR A 53 67.516 -1.443 -5.166 1.00 0.00 N ATOM 731 CA THR A 53 66.997 -2.171 -6.361 1.00 0.00 C ATOM 732 C THR A 53 66.797 -3.653 -6.030 1.00 0.00 C ATOM 733 O THR A 53 67.744 -4.384 -5.814 1.00 0.00 O ATOM 734 CB THR A 53 68.073 -2.003 -7.436 1.00 0.00 C ATOM 735 OG1 THR A 53 68.404 -0.627 -7.562 1.00 0.00 O ATOM 736 CG2 THR A 53 67.549 -2.530 -8.772 1.00 0.00 C ATOM 0 H THR A 53 68.447 -1.722 -4.856 1.00 0.00 H new ATOM 0 HA THR A 53 66.033 -1.783 -6.690 1.00 0.00 H new ATOM 0 HB THR A 53 68.962 -2.565 -7.151 1.00 0.00 H new ATOM 0 HG1 THR A 53 69.094 -0.518 -8.249 1.00 0.00 H new ATOM 0 HG21 THR A 53 68.316 -2.410 -9.537 1.00 0.00 H new ATOM 0 HG22 THR A 53 67.298 -3.586 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 53 66.659 -1.971 -9.060 1.00 0.00 H new ATOM 744 N GLY A 54 65.572 -4.102 -5.988 1.00 0.00 N ATOM 745 CA GLY A 54 65.315 -5.534 -5.669 1.00 0.00 C ATOM 746 C GLY A 54 65.904 -5.860 -4.296 1.00 0.00 C ATOM 747 O GLY A 54 67.026 -6.314 -4.184 1.00 0.00 O ATOM 0 H GLY A 54 64.739 -3.539 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.243 -5.733 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.762 -6.174 -6.430 1.00 0.00 H new ATOM 751 N SER A 55 65.162 -5.625 -3.249 1.00 0.00 N ATOM 752 CA SER A 55 65.688 -5.916 -1.884 1.00 0.00 C ATOM 753 C SER A 55 64.539 -5.993 -0.874 1.00 0.00 C ATOM 754 O SER A 55 63.691 -5.125 -0.819 1.00 0.00 O ATOM 755 CB SER A 55 66.609 -4.740 -1.560 1.00 0.00 C ATOM 756 OG SER A 55 65.889 -3.523 -1.715 1.00 0.00 O ATOM 0 H SER A 55 64.216 -5.245 -3.279 1.00 0.00 H new ATOM 0 HA SER A 55 66.211 -6.871 -1.838 1.00 0.00 H new ATOM 0 HB2 SER A 55 66.984 -4.827 -0.540 1.00 0.00 H new ATOM 0 HB3 SER A 55 67.476 -4.750 -2.220 1.00 0.00 H new ATOM 0 HG SER A 55 64.930 -3.695 -1.614 1.00 0.00 H new ATOM 762 N ARG A 56 64.507 -7.023 -0.072 1.00 0.00 N ATOM 763 CA ARG A 56 63.416 -7.149 0.935 1.00 0.00 C ATOM 764 C ARG A 56 63.823 -6.444 2.231 1.00 0.00 C ATOM 765 O ARG A 56 64.672 -6.911 2.964 1.00 0.00 O ATOM 766 CB ARG A 56 63.256 -8.653 1.167 1.00 0.00 C ATOM 767 CG ARG A 56 61.777 -8.984 1.380 1.00 0.00 C ATOM 768 CD ARG A 56 61.640 -10.024 2.495 1.00 0.00 C ATOM 769 NE ARG A 56 62.401 -11.208 2.011 1.00 0.00 N ATOM 770 CZ ARG A 56 62.657 -12.197 2.823 1.00 0.00 C ATOM 771 NH1 ARG A 56 61.734 -12.623 3.643 1.00 0.00 N ATOM 772 NH2 ARG A 56 63.834 -12.759 2.818 1.00 0.00 N ATOM 0 H ARG A 56 65.189 -7.782 -0.071 1.00 0.00 H new ATOM 0 HA ARG A 56 62.485 -6.693 0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 56 63.644 -9.207 0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 56 63.837 -8.961 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 56 61.226 -8.081 1.641 1.00 0.00 H new ATOM 0 HG3 ARG A 56 61.343 -9.367 0.456 1.00 0.00 H new ATOM 0 HD2 ARG A 56 62.046 -9.651 3.435 1.00 0.00 H new ATOM 0 HD3 ARG A 56 60.595 -10.274 2.676 1.00 0.00 H new ATOM 0 HE ARG A 56 62.723 -11.246 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 56 60.814 -12.183 3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 56 61.933 -13.396 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 56 64.556 -12.426 2.179 1.00 0.00 H new ATOM 0 HH22 ARG A 56 64.033 -13.532 3.453 1.00 0.00 H new ATOM 786 N ILE A 57 63.229 -5.318 2.515 1.00 0.00 N ATOM 787 CA ILE A 57 63.588 -4.580 3.759 1.00 0.00 C ATOM 788 C ILE A 57 62.747 -5.073 4.940 1.00 0.00 C ATOM 789 O ILE A 57 62.592 -4.388 5.931 1.00 0.00 O ATOM 790 CB ILE A 57 63.280 -3.116 3.452 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.883 -2.742 2.095 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.891 -2.232 4.538 1.00 0.00 C ATOM 793 CD1 ILE A 57 65.352 -3.166 2.056 1.00 0.00 C ATOM 0 H ILE A 57 62.511 -4.877 1.940 1.00 0.00 H new ATOM 0 HA ILE A 57 64.631 -4.729 4.037 1.00 0.00 H new ATOM 0 HB ILE A 57 62.200 -2.969 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 57 63.331 -3.231 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 57 63.799 -1.668 1.931 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.673 -1.186 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.466 -2.498 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.971 -2.380 4.563 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.782 -2.900 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 57 65.899 -2.657 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.424 -4.244 2.201 1.00 0.00 H new ATOM 805 N SER A 58 62.207 -6.257 4.845 1.00 0.00 N ATOM 806 CA SER A 58 61.378 -6.795 5.967 1.00 0.00 C ATOM 807 C SER A 58 62.035 -6.476 7.315 1.00 0.00 C ATOM 808 O SER A 58 63.242 -6.501 7.445 1.00 0.00 O ATOM 809 CB SER A 58 61.353 -8.305 5.740 1.00 0.00 C ATOM 810 OG SER A 58 60.068 -8.691 5.274 1.00 0.00 O ATOM 0 H SER A 58 62.302 -6.877 4.041 1.00 0.00 H new ATOM 0 HA SER A 58 60.379 -6.360 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 58 62.115 -8.587 5.014 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.588 -8.827 6.668 1.00 0.00 H new ATOM 0 HG SER A 58 59.997 -8.501 4.315 1.00 0.00 H new ATOM 816 N GLY A 59 61.254 -6.178 8.324 1.00 0.00 N ATOM 817 CA GLY A 59 61.854 -5.866 9.653 1.00 0.00 C ATOM 818 C GLY A 59 60.763 -5.452 10.643 1.00 0.00 C ATOM 819 O GLY A 59 59.731 -4.942 10.257 1.00 0.00 O ATOM 0 H GLY A 59 60.236 -6.138 8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 59 62.388 -6.737 10.033 1.00 0.00 H new ATOM 0 HA3 GLY A 59 62.585 -5.064 9.551 1.00 0.00 H new ATOM 823 N PRO A 60 61.038 -5.685 11.897 1.00 0.00 N ATOM 824 CA PRO A 60 60.089 -5.326 12.970 1.00 0.00 C ATOM 825 C PRO A 60 60.323 -3.875 13.404 1.00 0.00 C ATOM 826 O PRO A 60 60.692 -3.605 14.530 1.00 0.00 O ATOM 827 CB PRO A 60 60.455 -6.291 14.092 1.00 0.00 C ATOM 828 CG PRO A 60 61.893 -6.661 13.858 1.00 0.00 C ATOM 829 CD PRO A 60 62.249 -6.309 12.431 1.00 0.00 C ATOM 0 HA PRO A 60 59.042 -5.397 12.674 1.00 0.00 H new ATOM 0 HB2 PRO A 60 60.325 -5.824 15.068 1.00 0.00 H new ATOM 0 HB3 PRO A 60 59.816 -7.174 14.073 1.00 0.00 H new ATOM 0 HG2 PRO A 60 62.540 -6.127 14.553 1.00 0.00 H new ATOM 0 HG3 PRO A 60 62.045 -7.726 14.035 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.098 -5.627 12.390 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.524 -7.196 11.860 1.00 0.00 H new ATOM 837 N GLY A 61 60.129 -2.943 12.512 1.00 0.00 N ATOM 838 CA GLY A 61 60.359 -1.512 12.863 1.00 0.00 C ATOM 839 C GLY A 61 61.614 -1.030 12.136 1.00 0.00 C ATOM 840 O GLY A 61 62.228 -0.047 12.505 1.00 0.00 O ATOM 0 H GLY A 61 59.821 -3.110 11.554 1.00 0.00 H new ATOM 0 HA2 GLY A 61 59.499 -0.908 12.574 1.00 0.00 H new ATOM 0 HA3 GLY A 61 60.479 -1.401 13.941 1.00 0.00 H new ATOM 844 N CYS A 62 62.000 -1.730 11.104 1.00 0.00 N ATOM 845 CA CYS A 62 63.217 -1.347 10.333 1.00 0.00 C ATOM 846 C CYS A 62 63.280 0.167 10.112 1.00 0.00 C ATOM 847 O CYS A 62 62.336 0.886 10.372 1.00 0.00 O ATOM 848 CB CYS A 62 63.060 -2.065 8.996 1.00 0.00 C ATOM 849 SG CYS A 62 64.311 -3.360 8.851 1.00 0.00 S ATOM 0 H CYS A 62 61.518 -2.560 10.759 1.00 0.00 H new ATOM 0 HA CYS A 62 64.133 -1.619 10.858 1.00 0.00 H new ATOM 0 HB2 CYS A 62 62.063 -2.499 8.920 1.00 0.00 H new ATOM 0 HB3 CYS A 62 63.162 -1.354 8.176 1.00 0.00 H new ATOM 854 N LYS A 63 64.393 0.650 9.624 1.00 0.00 N ATOM 855 CA LYS A 63 64.533 2.112 9.371 1.00 0.00 C ATOM 856 C LYS A 63 65.622 2.363 8.321 1.00 0.00 C ATOM 857 O LYS A 63 66.791 2.130 8.559 1.00 0.00 O ATOM 858 CB LYS A 63 64.939 2.713 10.717 1.00 0.00 C ATOM 859 CG LYS A 63 65.356 4.171 10.522 1.00 0.00 C ATOM 860 CD LYS A 63 66.107 4.656 11.763 1.00 0.00 C ATOM 861 CE LYS A 63 65.150 4.683 12.957 1.00 0.00 C ATOM 862 NZ LYS A 63 64.391 5.960 12.822 1.00 0.00 N ATOM 0 H LYS A 63 65.213 0.091 9.389 1.00 0.00 H new ATOM 0 HA LYS A 63 63.613 2.555 8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.108 2.653 11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 63 65.762 2.143 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 63 65.990 4.264 9.640 1.00 0.00 H new ATOM 0 HG3 LYS A 63 64.477 4.792 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 63 66.949 3.997 11.973 1.00 0.00 H new ATOM 0 HD3 LYS A 63 66.517 5.651 11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 63 64.480 3.823 12.944 1.00 0.00 H new ATOM 0 HE3 LYS A 63 65.696 4.647 13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 64.607 6.579 13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 64.665 6.435 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 63.371 5.757 12.804 1.00 0.00 H new ATOM 876 N ILE A 64 65.248 2.836 7.163 1.00 0.00 N ATOM 877 CA ILE A 64 66.262 3.099 6.101 1.00 0.00 C ATOM 878 C ILE A 64 66.246 4.581 5.717 1.00 0.00 C ATOM 879 O ILE A 64 65.318 5.302 6.026 1.00 0.00 O ATOM 880 CB ILE A 64 65.828 2.244 4.910 1.00 0.00 C ATOM 881 CG1 ILE A 64 65.573 0.797 5.369 1.00 0.00 C ATOM 882 CG2 ILE A 64 66.916 2.273 3.830 1.00 0.00 C ATOM 883 CD1 ILE A 64 66.879 -0.003 5.373 1.00 0.00 C ATOM 0 H ILE A 64 64.285 3.052 6.906 1.00 0.00 H new ATOM 0 HA ILE A 64 67.273 2.858 6.431 1.00 0.00 H new ATOM 0 HB ILE A 64 64.905 2.648 4.494 1.00 0.00 H new ATOM 0 HG12 ILE A 64 65.137 0.798 6.368 1.00 0.00 H new ATOM 0 HG13 ILE A 64 64.850 0.321 4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 64 66.604 1.663 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.073 3.300 3.499 1.00 0.00 H new ATOM 0 HG23 ILE A 64 67.846 1.877 4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 64 66.680 -1.023 5.700 1.00 0.00 H new ATOM 0 HD12 ILE A 64 67.298 -0.020 4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.590 0.464 6.055 1.00 0.00 H new ATOM 895 N SER A 65 67.263 5.039 5.042 1.00 0.00 N ATOM 896 CA SER A 65 67.305 6.472 4.632 1.00 0.00 C ATOM 897 C SER A 65 68.434 6.693 3.621 1.00 0.00 C ATOM 898 O SER A 65 69.599 6.565 3.939 1.00 0.00 O ATOM 899 CB SER A 65 67.571 7.248 5.922 1.00 0.00 C ATOM 900 OG SER A 65 68.670 8.130 5.727 1.00 0.00 O ATOM 0 H SER A 65 68.069 4.483 4.756 1.00 0.00 H new ATOM 0 HA SER A 65 66.381 6.795 4.152 1.00 0.00 H new ATOM 0 HB2 SER A 65 66.684 7.813 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 65 67.786 6.557 6.737 1.00 0.00 H new ATOM 0 HG SER A 65 68.840 8.629 6.553 1.00 0.00 H new ATOM 906 N THR A 66 68.097 7.018 2.403 1.00 0.00 N ATOM 907 CA THR A 66 69.150 7.239 1.372 1.00 0.00 C ATOM 908 C THR A 66 70.142 6.075 1.366 1.00 0.00 C ATOM 909 O THR A 66 71.305 6.233 1.681 1.00 0.00 O ATOM 910 CB THR A 66 69.851 8.531 1.780 1.00 0.00 C ATOM 911 OG1 THR A 66 68.909 9.413 2.373 1.00 0.00 O ATOM 912 CG2 THR A 66 70.457 9.182 0.536 1.00 0.00 C ATOM 0 H THR A 66 67.138 7.140 2.077 1.00 0.00 H new ATOM 0 HA THR A 66 68.728 7.305 0.369 1.00 0.00 H new ATOM 0 HB THR A 66 70.640 8.314 2.500 1.00 0.00 H new ATOM 0 HG1 THR A 66 69.359 10.243 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 66 70.960 10.107 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 66 71.177 8.500 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 66 69.666 9.403 -0.181 1.00 0.00 H new ATOM 920 N CYS A 67 69.693 4.909 1.003 1.00 0.00 N ATOM 921 CA CYS A 67 70.609 3.735 0.967 1.00 0.00 C ATOM 922 C CYS A 67 70.620 3.136 -0.438 1.00 0.00 C ATOM 923 O CYS A 67 69.756 2.364 -0.801 1.00 0.00 O ATOM 924 CB CYS A 67 70.026 2.741 1.972 1.00 0.00 C ATOM 925 SG CYS A 67 70.342 3.340 3.648 1.00 0.00 S ATOM 0 H CYS A 67 68.730 4.716 0.729 1.00 0.00 H new ATOM 0 HA CYS A 67 71.637 3.999 1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 67 68.954 2.627 1.809 1.00 0.00 H new ATOM 0 HB3 CYS A 67 70.476 1.758 1.833 1.00 0.00 H new ATOM 930 N ILE A 68 71.590 3.487 -1.234 1.00 0.00 N ATOM 931 CA ILE A 68 71.640 2.933 -2.615 1.00 0.00 C ATOM 932 C ILE A 68 71.846 1.422 -2.556 1.00 0.00 C ATOM 933 O ILE A 68 72.948 0.927 -2.688 1.00 0.00 O ATOM 934 CB ILE A 68 72.829 3.612 -3.297 1.00 0.00 C ATOM 935 CG1 ILE A 68 72.459 5.050 -3.670 1.00 0.00 C ATOM 936 CG2 ILE A 68 73.181 2.840 -4.567 1.00 0.00 C ATOM 937 CD1 ILE A 68 72.262 5.876 -2.400 1.00 0.00 C ATOM 0 H ILE A 68 72.345 4.128 -0.991 1.00 0.00 H new ATOM 0 HA ILE A 68 70.715 3.116 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 68 73.681 3.623 -2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 68 73.245 5.490 -4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 68 71.546 5.058 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 68 74.028 3.317 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 68 73.443 1.814 -4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 68 72.324 2.837 -5.240 1.00 0.00 H new ATOM 0 HD11 ILE A 68 71.999 6.899 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 68 71.461 5.440 -1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 68 73.186 5.879 -1.821 1.00 0.00 H new ATOM 949 N ILE A 69 70.792 0.685 -2.357 1.00 0.00 N ATOM 950 CA ILE A 69 70.924 -0.796 -2.287 1.00 0.00 C ATOM 951 C ILE A 69 70.573 -1.413 -3.643 1.00 0.00 C ATOM 952 O ILE A 69 69.852 -0.836 -4.431 1.00 0.00 O ATOM 953 CB ILE A 69 69.926 -1.233 -1.214 1.00 0.00 C ATOM 954 CG1 ILE A 69 70.252 -0.518 0.101 1.00 0.00 C ATOM 955 CG2 ILE A 69 70.029 -2.746 -1.010 1.00 0.00 C ATOM 956 CD1 ILE A 69 68.972 -0.343 0.922 1.00 0.00 C ATOM 0 H ILE A 69 69.844 1.043 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 69 71.938 -1.116 -2.045 1.00 0.00 H new ATOM 0 HB ILE A 69 68.914 -0.977 -1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 69 70.984 -1.094 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 69 70.701 0.454 -0.104 1.00 0.00 H new ATOM 0 HG21 ILE A 69 69.318 -3.059 -0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 69 69.803 -3.256 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 69 71.040 -3.002 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 69 69.206 0.166 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 69 68.255 0.251 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 69 68.542 -1.321 1.139 1.00 0.00 H new ATOM 968 N THR A 70 71.080 -2.578 -3.926 1.00 0.00 N ATOM 969 CA THR A 70 70.772 -3.223 -5.234 1.00 0.00 C ATOM 970 C THR A 70 70.918 -4.740 -5.122 1.00 0.00 C ATOM 971 O THR A 70 72.011 -5.272 -5.139 1.00 0.00 O ATOM 972 CB THR A 70 71.800 -2.652 -6.213 1.00 0.00 C ATOM 973 OG1 THR A 70 71.470 -1.301 -6.508 1.00 0.00 O ATOM 974 CG2 THR A 70 71.790 -3.476 -7.500 1.00 0.00 C ATOM 0 H THR A 70 71.693 -3.112 -3.311 1.00 0.00 H new ATOM 0 HA THR A 70 69.751 -3.027 -5.560 1.00 0.00 H new ATOM 0 HB THR A 70 72.793 -2.693 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 70 70.662 -1.046 -6.015 1.00 0.00 H new ATOM 0 HG21 THR A 70 72.522 -3.070 -8.198 1.00 0.00 H new ATOM 0 HG22 THR A 70 72.042 -4.511 -7.271 1.00 0.00 H new ATOM 0 HG23 THR A 70 70.798 -3.435 -7.950 1.00 0.00 H new ATOM 982 N GLY A 71 69.825 -5.440 -5.006 1.00 0.00 N ATOM 983 CA GLY A 71 69.899 -6.923 -4.888 1.00 0.00 C ATOM 984 C GLY A 71 70.000 -7.304 -3.412 1.00 0.00 C ATOM 985 O GLY A 71 70.577 -8.314 -3.059 1.00 0.00 O ATOM 0 H GLY A 71 68.883 -5.049 -4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 71 69.016 -7.380 -5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 71 70.764 -7.301 -5.434 1.00 0.00 H new ATOM 989 N GLY A 72 69.449 -6.498 -2.545 1.00 0.00 N ATOM 990 CA GLY A 72 69.519 -6.809 -1.090 1.00 0.00 C ATOM 991 C GLY A 72 70.896 -6.414 -0.557 1.00 0.00 C ATOM 992 O GLY A 72 71.308 -6.835 0.505 1.00 0.00 O ATOM 0 H GLY A 72 68.954 -5.638 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 72 68.739 -6.269 -0.553 1.00 0.00 H new ATOM 0 HA3 GLY A 72 69.343 -7.872 -0.924 1.00 0.00 H new ATOM 996 N VAL A 73 71.614 -5.610 -1.294 1.00 0.00 N ATOM 997 CA VAL A 73 72.972 -5.190 -0.840 1.00 0.00 C ATOM 998 C VAL A 73 73.063 -3.661 -0.758 1.00 0.00 C ATOM 999 O VAL A 73 72.743 -2.972 -1.704 1.00 0.00 O ATOM 1000 CB VAL A 73 73.916 -5.713 -1.918 1.00 0.00 C ATOM 1001 CG1 VAL A 73 73.614 -7.187 -2.197 1.00 0.00 C ATOM 1002 CG2 VAL A 73 73.713 -4.901 -3.199 1.00 0.00 C ATOM 0 H VAL A 73 71.319 -5.225 -2.191 1.00 0.00 H new ATOM 0 HA VAL A 73 73.212 -5.575 0.151 1.00 0.00 H new ATOM 0 HB VAL A 73 74.947 -5.616 -1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 73 74.290 -7.557 -2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 73 73.752 -7.766 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 73 72.584 -7.289 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 73 74.385 -5.270 -3.974 1.00 0.00 H new ATOM 0 HG22 VAL A 73 72.681 -5.003 -3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 73 73.928 -3.851 -3.002 1.00 0.00 H new ATOM 1012 N PRO A 74 73.511 -3.183 0.374 1.00 0.00 N ATOM 1013 CA PRO A 74 73.659 -1.721 0.578 1.00 0.00 C ATOM 1014 C PRO A 74 74.895 -1.196 -0.156 1.00 0.00 C ATOM 1015 O PRO A 74 75.879 -1.891 -0.311 1.00 0.00 O ATOM 1016 CB PRO A 74 73.838 -1.585 2.087 1.00 0.00 C ATOM 1017 CG PRO A 74 74.381 -2.904 2.539 1.00 0.00 C ATOM 1018 CD PRO A 74 73.913 -3.950 1.557 1.00 0.00 C ATOM 0 HA PRO A 74 72.811 -1.153 0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 74 74.523 -0.773 2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.891 -1.361 2.577 1.00 0.00 H new ATOM 0 HG2 PRO A 74 75.470 -2.876 2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 74 74.031 -3.138 3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 74 74.708 -4.658 1.321 1.00 0.00 H new ATOM 0 HD3 PRO A 74 73.080 -4.528 1.958 1.00 0.00 H new ATOM 1026 N ALA A 75 74.854 0.030 -0.599 1.00 0.00 N ATOM 1027 CA ALA A 75 76.030 0.605 -1.314 1.00 0.00 C ATOM 1028 C ALA A 75 76.890 1.414 -0.339 1.00 0.00 C ATOM 1029 O ALA A 75 76.449 1.754 0.740 1.00 0.00 O ATOM 1030 CB ALA A 75 75.433 1.519 -2.385 1.00 0.00 C ATOM 0 H ALA A 75 74.058 0.659 -0.497 1.00 0.00 H new ATOM 0 HA ALA A 75 76.671 -0.164 -1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 75 76.237 1.982 -2.957 1.00 0.00 H new ATOM 0 HB2 ALA A 75 74.803 0.933 -3.054 1.00 0.00 H new ATOM 0 HB3 ALA A 75 74.833 2.294 -1.908 1.00 0.00 H new ATOM 1036 N PRO A 76 78.093 1.700 -0.757 1.00 0.00 N ATOM 1037 CA PRO A 76 79.026 2.483 0.089 1.00 0.00 C ATOM 1038 C PRO A 76 78.564 3.941 0.161 1.00 0.00 C ATOM 1039 O PRO A 76 79.285 4.852 -0.199 1.00 0.00 O ATOM 1040 CB PRO A 76 80.360 2.361 -0.642 1.00 0.00 C ATOM 1041 CG PRO A 76 79.995 2.083 -2.065 1.00 0.00 C ATOM 1042 CD PRO A 76 78.692 1.328 -2.044 1.00 0.00 C ATOM 0 HA PRO A 76 79.084 2.129 1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 76 80.943 3.278 -0.556 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.967 1.557 -0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.894 3.012 -2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.773 1.497 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 76 78.052 1.611 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 76 78.852 0.252 -2.115 1.00 0.00 H new ATOM 1050 N SER A 77 77.362 4.165 0.617 1.00 0.00 N ATOM 1051 CA SER A 77 76.841 5.560 0.708 1.00 0.00 C ATOM 1052 C SER A 77 77.143 6.157 2.084 1.00 0.00 C ATOM 1053 O SER A 77 77.208 5.458 3.075 1.00 0.00 O ATOM 1054 CB SER A 77 75.334 5.430 0.505 1.00 0.00 C ATOM 1055 OG SER A 77 75.065 5.154 -0.863 1.00 0.00 O ATOM 0 H SER A 77 76.716 3.441 0.931 1.00 0.00 H new ATOM 0 HA SER A 77 77.302 6.218 -0.029 1.00 0.00 H new ATOM 0 HB2 SER A 77 74.939 4.632 1.133 1.00 0.00 H new ATOM 0 HB3 SER A 77 74.834 6.350 0.807 1.00 0.00 H new ATOM 0 HG SER A 77 75.244 5.954 -1.400 1.00 0.00 H new ATOM 1061 N ALA A 78 77.323 7.448 2.149 1.00 0.00 N ATOM 1062 CA ALA A 78 77.615 8.097 3.460 1.00 0.00 C ATOM 1063 C ALA A 78 76.318 8.601 4.103 1.00 0.00 C ATOM 1064 O ALA A 78 76.266 8.873 5.285 1.00 0.00 O ATOM 1065 CB ALA A 78 78.540 9.269 3.125 1.00 0.00 C ATOM 0 H ALA A 78 77.281 8.082 1.351 1.00 0.00 H new ATOM 0 HA ALA A 78 78.072 7.407 4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 78 78.802 9.799 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 78 79.447 8.893 2.652 1.00 0.00 H new ATOM 0 HB3 ALA A 78 78.031 9.951 2.444 1.00 0.00 H new ATOM 1071 N ALA A 79 75.273 8.737 3.331 1.00 0.00 N ATOM 1072 CA ALA A 79 73.985 9.233 3.898 1.00 0.00 C ATOM 1073 C ALA A 79 73.088 8.061 4.307 1.00 0.00 C ATOM 1074 O ALA A 79 72.066 8.243 4.941 1.00 0.00 O ATOM 1075 CB ALA A 79 73.338 10.032 2.766 1.00 0.00 C ATOM 0 H ALA A 79 75.255 8.526 2.333 1.00 0.00 H new ATOM 0 HA ALA A 79 74.138 9.836 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 79 72.382 10.432 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 79 73.995 10.853 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.176 9.380 1.907 1.00 0.00 H new ATOM 1081 N CYS A 80 73.456 6.861 3.952 1.00 0.00 N ATOM 1082 CA CYS A 80 72.617 5.684 4.324 1.00 0.00 C ATOM 1083 C CYS A 80 72.812 5.348 5.811 1.00 0.00 C ATOM 1084 O CYS A 80 73.714 5.848 6.453 1.00 0.00 O ATOM 1085 CB CYS A 80 73.107 4.552 3.423 1.00 0.00 C ATOM 1086 SG CYS A 80 72.314 3.005 3.912 1.00 0.00 S ATOM 0 H CYS A 80 74.299 6.643 3.421 1.00 0.00 H new ATOM 0 HA CYS A 80 71.551 5.865 4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.878 4.777 2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 80 74.190 4.457 3.497 1.00 0.00 H new ATOM 1091 N LYS A 81 71.960 4.528 6.372 1.00 0.00 N ATOM 1092 CA LYS A 81 72.095 4.201 7.828 1.00 0.00 C ATOM 1093 C LYS A 81 72.521 2.741 8.074 1.00 0.00 C ATOM 1094 O LYS A 81 73.398 2.480 8.873 1.00 0.00 O ATOM 1095 CB LYS A 81 70.710 4.470 8.436 1.00 0.00 C ATOM 1096 CG LYS A 81 69.653 3.558 7.799 1.00 0.00 C ATOM 1097 CD LYS A 81 69.529 2.265 8.612 1.00 0.00 C ATOM 1098 CE LYS A 81 69.098 1.114 7.693 1.00 0.00 C ATOM 1099 NZ LYS A 81 68.303 0.196 8.559 1.00 0.00 N ATOM 0 H LYS A 81 71.183 4.073 5.892 1.00 0.00 H new ATOM 0 HA LYS A 81 72.878 4.808 8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 81 70.741 4.303 9.513 1.00 0.00 H new ATOM 0 HB3 LYS A 81 70.437 5.514 8.283 1.00 0.00 H new ATOM 0 HG2 LYS A 81 68.691 4.070 7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 81 69.930 3.327 6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 81 70.483 2.028 9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 81 68.801 2.396 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 81 68.502 1.480 6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 81 69.963 0.604 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 67.620 -0.327 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 68.941 -0.476 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 67.793 0.750 9.276 1.00 0.00 H new ATOM 1113 N ILE A 82 71.909 1.787 7.424 1.00 0.00 N ATOM 1114 CA ILE A 82 72.295 0.362 7.670 1.00 0.00 C ATOM 1115 C ILE A 82 72.389 0.098 9.177 1.00 0.00 C ATOM 1116 O ILE A 82 73.464 -0.068 9.720 1.00 0.00 O ATOM 1117 CB ILE A 82 73.667 0.190 7.018 1.00 0.00 C ATOM 1118 CG1 ILE A 82 73.506 0.161 5.500 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.293 -1.126 7.485 1.00 0.00 C ATOM 1120 CD1 ILE A 82 72.790 -1.122 5.082 1.00 0.00 C ATOM 0 H ILE A 82 71.166 1.928 6.740 1.00 0.00 H new ATOM 0 HA ILE A 82 71.563 -0.335 7.261 1.00 0.00 H new ATOM 0 HB ILE A 82 74.311 1.022 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 82 72.938 1.030 5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 82 74.483 0.216 5.020 1.00 0.00 H new ATOM 0 HG21 ILE A 82 75.271 -1.249 7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.406 -1.111 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 82 73.649 -1.957 7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 82 72.677 -1.139 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 82 73.375 -1.985 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 82 71.806 -1.159 5.550 1.00 0.00 H new ATOM 1132 N SER A 83 71.275 0.062 9.859 1.00 0.00 N ATOM 1133 CA SER A 83 71.311 -0.188 11.330 1.00 0.00 C ATOM 1134 C SER A 83 70.348 -1.322 11.705 1.00 0.00 C ATOM 1135 O SER A 83 70.613 -2.478 11.442 1.00 0.00 O ATOM 1136 CB SER A 83 70.878 1.134 11.964 1.00 0.00 C ATOM 1137 OG SER A 83 70.645 0.934 13.352 1.00 0.00 O ATOM 0 H SER A 83 70.344 0.194 9.463 1.00 0.00 H new ATOM 0 HA SER A 83 72.298 -0.497 11.675 1.00 0.00 H new ATOM 0 HB2 SER A 83 71.649 1.891 11.818 1.00 0.00 H new ATOM 0 HB3 SER A 83 69.973 1.503 11.481 1.00 0.00 H new ATOM 0 HG SER A 83 70.369 1.780 13.763 1.00 0.00 H new ATOM 1143 N GLY A 84 69.235 -1.011 12.319 1.00 0.00 N ATOM 1144 CA GLY A 84 68.273 -2.083 12.705 1.00 0.00 C ATOM 1145 C GLY A 84 67.506 -2.552 11.470 1.00 0.00 C ATOM 1146 O GLY A 84 66.302 -2.404 11.382 1.00 0.00 O ATOM 0 H GLY A 84 68.953 -0.063 12.569 1.00 0.00 H new ATOM 0 HA2 GLY A 84 68.807 -2.921 13.154 1.00 0.00 H new ATOM 0 HA3 GLY A 84 67.578 -1.709 13.457 1.00 0.00 H new ATOM 1150 N CYS A 85 68.187 -3.120 10.512 1.00 0.00 N ATOM 1151 CA CYS A 85 67.485 -3.595 9.288 1.00 0.00 C ATOM 1152 C CYS A 85 68.400 -4.489 8.450 1.00 0.00 C ATOM 1153 O CYS A 85 69.487 -4.847 8.858 1.00 0.00 O ATOM 1154 CB CYS A 85 67.132 -2.322 8.517 1.00 0.00 C ATOM 1155 SG CYS A 85 65.638 -2.600 7.534 1.00 0.00 S ATOM 0 H CYS A 85 69.195 -3.275 10.524 1.00 0.00 H new ATOM 0 HA CYS A 85 66.604 -4.190 9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 85 66.974 -1.497 9.211 1.00 0.00 H new ATOM 0 HB3 CYS A 85 67.959 -2.038 7.867 1.00 0.00 H new ATOM 1160 N THR A 86 67.960 -4.851 7.277 1.00 0.00 N ATOM 1161 CA THR A 86 68.781 -5.721 6.392 1.00 0.00 C ATOM 1162 C THR A 86 67.996 -6.033 5.121 1.00 0.00 C ATOM 1163 O THR A 86 66.793 -5.871 5.071 1.00 0.00 O ATOM 1164 CB THR A 86 69.021 -6.998 7.195 1.00 0.00 C ATOM 1165 OG1 THR A 86 69.677 -7.955 6.373 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.681 -7.563 7.671 1.00 0.00 C ATOM 0 H THR A 86 67.057 -4.578 6.891 1.00 0.00 H new ATOM 0 HA THR A 86 69.719 -5.251 6.095 1.00 0.00 H new ATOM 0 HB THR A 86 69.645 -6.773 8.060 1.00 0.00 H new ATOM 0 HG1 THR A 86 69.834 -8.775 6.887 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.853 -8.474 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.179 -6.828 8.300 1.00 0.00 H new ATOM 0 HG23 THR A 86 67.055 -7.790 6.808 1.00 0.00 H new ATOM 1174 N PHE A 87 68.656 -6.480 4.092 1.00 0.00 N ATOM 1175 CA PHE A 87 67.922 -6.797 2.833 1.00 0.00 C ATOM 1176 C PHE A 87 68.111 -8.271 2.473 1.00 0.00 C ATOM 1177 O PHE A 87 68.964 -8.949 3.011 1.00 0.00 O ATOM 1178 CB PHE A 87 68.535 -5.916 1.738 1.00 0.00 C ATOM 1179 CG PHE A 87 68.985 -4.585 2.299 1.00 0.00 C ATOM 1180 CD1 PHE A 87 68.229 -3.931 3.282 1.00 0.00 C ATOM 1181 CD2 PHE A 87 70.166 -4.006 1.826 1.00 0.00 C ATOM 1182 CE1 PHE A 87 68.660 -2.697 3.790 1.00 0.00 C ATOM 1183 CE2 PHE A 87 70.593 -2.777 2.330 1.00 0.00 C ATOM 1184 CZ PHE A 87 69.843 -2.121 3.312 1.00 0.00 C ATOM 0 H PHE A 87 69.663 -6.639 4.065 1.00 0.00 H new ATOM 0 HA PHE A 87 66.854 -6.611 2.944 1.00 0.00 H new ATOM 0 HB2 PHE A 87 69.384 -6.430 1.286 1.00 0.00 H new ATOM 0 HB3 PHE A 87 67.804 -5.752 0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 87 67.316 -4.377 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 87 70.749 -4.511 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 87 68.080 -2.192 4.549 1.00 0.00 H new ATOM 0 HE2 PHE A 87 71.505 -2.331 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 87 70.177 -1.170 3.701 1.00 0.00 H new ATOM 1194 N SER A 88 67.324 -8.767 1.561 1.00 0.00 N ATOM 1195 CA SER A 88 67.455 -10.194 1.154 1.00 0.00 C ATOM 1196 C SER A 88 67.129 -10.339 -0.333 1.00 0.00 C ATOM 1197 O SER A 88 66.767 -11.401 -0.801 1.00 0.00 O ATOM 1198 CB SER A 88 66.431 -10.945 2.004 1.00 0.00 C ATOM 1199 OG SER A 88 66.715 -12.338 1.960 1.00 0.00 O ATOM 0 H SER A 88 66.593 -8.245 1.078 1.00 0.00 H new ATOM 0 HA SER A 88 68.464 -10.580 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 88 66.464 -10.588 3.033 1.00 0.00 H new ATOM 0 HB3 SER A 88 65.424 -10.756 1.633 1.00 0.00 H new ATOM 0 HG SER A 88 66.803 -12.625 1.027 1.00 0.00 H new ATOM 1205 N ALA A 89 67.249 -9.275 -1.079 1.00 0.00 N ATOM 1206 CA ALA A 89 66.942 -9.348 -2.535 1.00 0.00 C ATOM 1207 C ALA A 89 65.533 -9.909 -2.738 1.00 0.00 C ATOM 1208 O ALA A 89 65.349 -10.964 -3.312 1.00 0.00 O ATOM 1209 CB ALA A 89 67.993 -10.296 -3.111 1.00 0.00 C ATOM 0 H ALA A 89 67.546 -8.359 -0.743 1.00 0.00 H new ATOM 0 HA ALA A 89 66.970 -8.373 -3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 89 67.836 -10.404 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 89 68.988 -9.890 -2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 89 67.906 -11.271 -2.631 1.00 0.00 H new ATOM 1215 N ASN A 90 64.537 -9.211 -2.263 1.00 0.00 N ATOM 1216 CA ASN A 90 63.138 -9.700 -2.416 1.00 0.00 C ATOM 1217 C ASN A 90 62.866 -10.086 -3.877 1.00 0.00 C ATOM 1218 O ASN A 90 63.613 -9.643 -4.733 1.00 0.00 O ATOM 1219 CB ASN A 90 62.261 -8.520 -1.967 1.00 0.00 C ATOM 1220 CG ASN A 90 61.932 -7.610 -3.157 1.00 0.00 C ATOM 1221 OD1 ASN A 90 60.783 -7.299 -3.398 1.00 0.00 O ATOM 1222 ND2 ASN A 90 62.900 -7.172 -3.914 1.00 0.00 N ATOM 1223 OXT ASN A 90 61.915 -10.814 -4.109 1.00 0.00 O ATOM 0 H ASN A 90 64.633 -8.321 -1.774 1.00 0.00 H new ATOM 0 HA ASN A 90 62.935 -10.594 -1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 90 61.339 -8.894 -1.522 1.00 0.00 H new ATOM 0 HB3 ASN A 90 62.778 -7.948 -1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 90 62.692 -6.568 -4.709 1.00 0.00 H new ATOM 0 HD22 ASN A 90 63.865 -7.434 -3.711 1.00 0.00 H new