USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 103 HIS : no HD1:sc=-0.00752 X(o=-0.0075,f=0) USER MOD Set 2.1: A 51 ASN :FLIP amide:sc= 0.356 F(o=0.12,f=0.74) USER MOD Set 2.2: A 58 LYS NZ :NH3+ -158:sc= 0.388 (180deg=0.00872) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN :FLIP amide:sc= 0.688 F(o=-1.2,f=0.69) USER MOD Single : A 23 THR OG1 : rot -110:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -151:sc= 0.785 USER MOD Single : A 43 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.07) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 48 CYS SG : rot 170:sc= -0.121 USER MOD Single : A 66 THR OG1 : rot -93:sc= 1.01 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.642 X(o=-0.64,f=-0.75) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.027) USER MOD Single : A 73 TYR OH : rot -179:sc= 1.28 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -49:sc= 0.7 USER MOD Single : A 81 LYS NZ :NH3+ -108:sc= -0.199 (180deg=-1.57) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.988 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 158:sc=-0.000248 (180deg=-0.215) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -1.44 F(o=-2.8,f=-1.4) USER MOD Single : A 100 TYR OH : rot 130:sc= -1.21 USER MOD Single : A 101 HIS : no HD1:sc= -0.217 X(o=-0.22,f=-0.14) USER MOD Single : A 107 SER OG : rot -53:sc= 0.0103 USER MOD Single : A 108 HIS : no HE2:sc= -3.17! C(o=-3.2!,f=-10!) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 110 SER OG : rot -61:sc= 0.437 USER MOD Single : A 115 HIS : no HE2:sc=-0.00813 X(o=-0.0081,f=-0.21) USER MOD Single : A 117 TYR OH : rot 175:sc= -0.166 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.814 1.553 -15.703 1.00 0.00 N ATOM 168 CA PRO A 14 -2.558 1.383 -14.967 1.00 0.00 C ATOM 169 C PRO A 14 -2.788 1.017 -13.504 1.00 0.00 C ATOM 170 O PRO A 14 -2.232 0.039 -13.004 1.00 0.00 O ATOM 171 CB PRO A 14 -1.895 2.758 -15.076 1.00 0.00 C ATOM 172 CG PRO A 14 -3.024 3.709 -15.277 1.00 0.00 C ATOM 173 CD PRO A 14 -4.061 2.959 -16.065 1.00 0.00 C ATOM 0 HA PRO A 14 -1.955 0.570 -15.372 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.331 2.998 -14.175 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.194 2.794 -15.910 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.427 4.044 -14.321 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.694 4.599 -15.813 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.071 3.271 -15.799 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.948 3.124 -17.137 1.00 0.00 H new ATOM 181 N LEU A 15 -3.611 1.808 -12.824 1.00 0.00 N ATOM 182 CA LEU A 15 -3.916 1.566 -11.418 1.00 0.00 C ATOM 183 C LEU A 15 -5.423 1.551 -11.182 1.00 0.00 C ATOM 184 O LEU A 15 -6.101 2.574 -11.276 1.00 0.00 O ATOM 185 CB LEU A 15 -3.262 2.637 -10.543 1.00 0.00 C ATOM 186 CG LEU A 15 -1.898 2.279 -9.951 1.00 0.00 C ATOM 187 CD1 LEU A 15 -2.029 1.123 -8.971 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.910 1.935 -11.056 1.00 0.00 C ATOM 0 H LEU A 15 -4.079 2.622 -13.223 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.515 0.589 -11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.151 3.545 -11.136 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.941 2.873 -9.723 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.519 3.146 -9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.049 0.882 -8.560 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.702 1.406 -8.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.430 0.251 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.055 1.683 -10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.283 1.083 -11.625 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.793 2.792 -11.720 1.00 0.00 H new ATOM 200 N PRO A 16 -5.960 0.364 -10.866 1.00 0.00 N ATOM 201 CA PRO A 16 -7.392 0.187 -10.607 1.00 0.00 C ATOM 202 C PRO A 16 -7.831 0.843 -9.302 1.00 0.00 C ATOM 203 O PRO A 16 -7.010 1.382 -8.561 1.00 0.00 O ATOM 204 CB PRO A 16 -7.552 -1.333 -10.521 1.00 0.00 C ATOM 205 CG PRO A 16 -6.210 -1.833 -10.112 1.00 0.00 C ATOM 206 CD PRO A 16 -5.212 -0.898 -10.737 1.00 0.00 C ATOM 0 HA PRO A 16 -8.006 0.651 -11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.316 -1.610 -9.795 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.856 -1.754 -11.479 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.111 -1.841 -9.027 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -6.054 -2.856 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.327 -0.778 -10.112 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.871 -1.264 -11.706 1.00 0.00 H new ATOM 214 N ASN A 17 -9.130 0.793 -9.027 1.00 0.00 N ATOM 215 CA ASN A 17 -9.677 1.383 -7.811 1.00 0.00 C ATOM 216 C ASN A 17 -9.822 0.332 -6.714 1.00 0.00 C ATOM 217 O ASN A 17 -10.236 0.640 -5.596 1.00 0.00 O ATOM 218 CB ASN A 17 -11.035 2.027 -8.098 1.00 0.00 C ATOM 219 CG ASN A 17 -10.910 3.480 -8.513 1.00 0.00 C ATOM 220 OD1 ASN A 17 -10.608 4.347 -7.693 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.142 3.752 -9.792 1.00 0.00 N ATOM 0 H ASN A 17 -9.823 0.350 -9.630 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.984 2.150 -7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.539 1.469 -8.887 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.662 1.959 -7.209 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.073 4.712 -10.130 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.390 3.001 -10.436 1.00 0.00 H new ATOM 228 N SER A 18 -9.478 -0.909 -7.042 1.00 0.00 N ATOM 229 CA SER A 18 -9.572 -2.006 -6.086 1.00 0.00 C ATOM 230 C SER A 18 -8.393 -1.987 -5.119 1.00 0.00 C ATOM 231 O SER A 18 -8.559 -2.182 -3.915 1.00 0.00 O ATOM 232 CB SER A 18 -9.622 -3.348 -6.821 1.00 0.00 C ATOM 233 OG SER A 18 -10.514 -3.294 -7.920 1.00 0.00 O ATOM 0 H SER A 18 -9.132 -1.180 -7.962 1.00 0.00 H new ATOM 0 HA SER A 18 -10.491 -1.878 -5.513 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.624 -3.612 -7.171 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.936 -4.132 -6.132 1.00 0.00 H new ATOM 0 HG SER A 18 -10.527 -4.162 -8.374 1.00 0.00 H new ATOM 239 N VAL A 19 -7.200 -1.749 -5.654 1.00 0.00 N ATOM 240 CA VAL A 19 -5.992 -1.702 -4.840 1.00 0.00 C ATOM 241 C VAL A 19 -6.090 -0.618 -3.772 1.00 0.00 C ATOM 242 O VAL A 19 -5.649 -0.806 -2.638 1.00 0.00 O ATOM 243 CB VAL A 19 -4.742 -1.445 -5.703 1.00 0.00 C ATOM 244 CG1 VAL A 19 -4.595 -2.525 -6.764 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.809 -0.065 -6.340 1.00 0.00 C ATOM 0 H VAL A 19 -7.044 -1.586 -6.649 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.898 -2.675 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.863 -1.480 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.707 -2.327 -7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.498 -3.498 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.475 -2.525 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.918 0.100 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.695 0.002 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.862 0.694 -5.559 1.00 0.00 H new ATOM 255 N PHE A 20 -6.672 0.518 -4.142 1.00 0.00 N ATOM 256 CA PHE A 20 -6.828 1.634 -3.217 1.00 0.00 C ATOM 257 C PHE A 20 -7.961 1.367 -2.230 1.00 0.00 C ATOM 258 O PHE A 20 -9.135 1.371 -2.599 1.00 0.00 O ATOM 259 CB PHE A 20 -7.101 2.928 -3.986 1.00 0.00 C ATOM 260 CG PHE A 20 -6.043 3.258 -4.999 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.011 2.610 -6.224 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.079 4.215 -4.727 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.039 2.911 -7.159 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.104 4.520 -5.658 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.083 3.867 -6.875 1.00 0.00 C ATOM 0 H PHE A 20 -7.043 0.690 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.899 1.742 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.063 2.845 -4.491 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.184 3.752 -3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.755 1.861 -6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.089 4.728 -3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.027 2.400 -8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.359 5.269 -5.434 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.321 4.103 -7.603 1.00 0.00 H new ATOM 275 N VAL A 21 -7.600 1.135 -0.972 1.00 0.00 N ATOM 276 CA VAL A 21 -8.584 0.867 0.069 1.00 0.00 C ATOM 277 C VAL A 21 -8.669 2.025 1.057 1.00 0.00 C ATOM 278 O VAL A 21 -7.668 2.676 1.352 1.00 0.00 O ATOM 279 CB VAL A 21 -8.251 -0.426 0.838 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.845 -0.357 1.414 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.275 -0.672 1.936 1.00 0.00 C ATOM 0 H VAL A 21 -6.632 1.127 -0.649 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.546 0.747 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.292 -1.263 0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.627 -1.279 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.126 -0.232 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.773 0.489 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.024 -1.589 2.469 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.269 0.166 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.267 -0.769 1.494 1.00 0.00 H new ATOM 291 N ASN A 22 -9.871 2.274 1.566 1.00 0.00 N ATOM 292 CA ASN A 22 -10.087 3.355 2.522 1.00 0.00 C ATOM 293 C ASN A 22 -9.857 2.871 3.951 1.00 0.00 C ATOM 294 O ASN A 22 -10.408 3.425 4.903 1.00 0.00 O ATOM 295 CB ASN A 22 -11.505 3.912 2.382 1.00 0.00 C ATOM 296 CG ASN A 22 -11.638 5.307 2.961 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.948 6.275 2.107 1.00 0.00 O flip ATOM 298 ND2 ASN A 22 -11.463 5.512 4.163 1.00 0.00 N flip ATOM 0 H ASN A 22 -10.710 1.743 1.333 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.370 4.147 2.306 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.782 3.931 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.206 3.245 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.226 4.738 4.783 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.555 6.456 4.538 1.00 0.00 H new ATOM 305 N THR A 23 -9.040 1.832 4.094 1.00 0.00 N ATOM 306 CA THR A 23 -8.738 1.273 5.405 1.00 0.00 C ATOM 307 C THR A 23 -7.429 1.831 5.953 1.00 0.00 C ATOM 308 O THR A 23 -6.376 1.704 5.327 1.00 0.00 O ATOM 309 CB THR A 23 -8.644 -0.264 5.352 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.756 -0.807 6.673 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.330 -0.705 4.727 1.00 0.00 C ATOM 0 H THR A 23 -8.576 1.361 3.317 1.00 0.00 H new ATOM 0 HA THR A 23 -9.557 1.558 6.066 1.00 0.00 H new ATOM 0 HB THR A 23 -9.463 -0.635 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.891 -1.175 6.950 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.287 -1.794 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.261 -0.314 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.499 -0.323 5.320 1.00 0.00 H new ATOM 319 N THR A 24 -7.501 2.451 7.127 1.00 0.00 N ATOM 320 CA THR A 24 -6.322 3.030 7.759 1.00 0.00 C ATOM 321 C THR A 24 -5.692 2.054 8.746 1.00 0.00 C ATOM 322 O THR A 24 -5.173 2.457 9.785 1.00 0.00 O ATOM 323 CB THR A 24 -6.666 4.338 8.497 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.703 4.102 9.455 1.00 0.00 O ATOM 325 CG2 THR A 24 -7.109 5.412 7.516 1.00 0.00 C ATOM 0 H THR A 24 -8.364 2.565 7.659 1.00 0.00 H new ATOM 0 HA THR A 24 -5.610 3.247 6.962 1.00 0.00 H new ATOM 0 HB THR A 24 -5.770 4.686 9.011 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.914 4.938 9.921 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.347 6.326 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.306 5.610 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.993 5.070 6.977 1.00 0.00 H new ATOM 333 N GLU A 25 -5.742 0.768 8.412 1.00 0.00 N ATOM 334 CA GLU A 25 -5.175 -0.266 9.271 1.00 0.00 C ATOM 335 C GLU A 25 -4.574 -1.395 8.439 1.00 0.00 C ATOM 336 O GLU A 25 -5.185 -1.868 7.481 1.00 0.00 O ATOM 337 CB GLU A 25 -6.246 -0.824 10.209 1.00 0.00 C ATOM 338 CG GLU A 25 -6.921 0.237 11.063 1.00 0.00 C ATOM 339 CD GLU A 25 -7.481 -0.324 12.356 1.00 0.00 C ATOM 340 OE1 GLU A 25 -6.730 -1.014 13.077 1.00 0.00 O ATOM 341 OE2 GLU A 25 -8.670 -0.074 12.645 1.00 0.00 O ATOM 0 H GLU A 25 -6.169 0.418 7.554 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.381 0.186 9.866 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.003 -1.338 9.617 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.792 -1.569 10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.203 1.024 11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.727 0.699 10.492 1.00 0.00 H new ATOM 348 N SER A 26 -3.371 -1.821 8.811 1.00 0.00 N ATOM 349 CA SER A 26 -2.684 -2.891 8.098 1.00 0.00 C ATOM 350 C SER A 26 -3.317 -4.244 8.406 1.00 0.00 C ATOM 351 O SER A 26 -3.450 -5.095 7.526 1.00 0.00 O ATOM 352 CB SER A 26 -1.201 -2.912 8.472 1.00 0.00 C ATOM 353 OG SER A 26 -1.027 -3.188 9.851 1.00 0.00 O ATOM 0 H SER A 26 -2.852 -1.441 9.603 1.00 0.00 H new ATOM 0 HA SER A 26 -2.779 -2.700 7.029 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.684 -3.666 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.748 -1.950 8.230 1.00 0.00 H new ATOM 0 HG SER A 26 -0.071 -3.198 10.065 1.00 0.00 H new ATOM 359 N CYS A 27 -3.707 -4.434 9.662 1.00 0.00 N ATOM 360 CA CYS A 27 -4.326 -5.684 10.089 1.00 0.00 C ATOM 361 C CYS A 27 -5.432 -6.100 9.125 1.00 0.00 C ATOM 362 O CYS A 27 -5.489 -7.249 8.688 1.00 0.00 O ATOM 363 CB CYS A 27 -4.892 -5.540 11.502 1.00 0.00 C ATOM 364 SG CYS A 27 -5.850 -6.968 12.063 1.00 0.00 S ATOM 0 H CYS A 27 -3.606 -3.739 10.402 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.559 -6.459 10.090 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.069 -5.373 12.196 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.525 -4.654 11.540 1.00 0.00 H new ATOM 0 HG CYS A 27 -6.285 -6.752 13.269 1.00 0.00 H new ATOM 370 N GLU A 28 -6.311 -5.157 8.798 1.00 0.00 N ATOM 371 CA GLU A 28 -7.418 -5.427 7.888 1.00 0.00 C ATOM 372 C GLU A 28 -6.903 -5.898 6.531 1.00 0.00 C ATOM 373 O GLU A 28 -7.245 -6.986 6.068 1.00 0.00 O ATOM 374 CB GLU A 28 -8.280 -4.176 7.712 1.00 0.00 C ATOM 375 CG GLU A 28 -9.354 -4.321 6.647 1.00 0.00 C ATOM 376 CD GLU A 28 -10.633 -4.930 7.188 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.566 -6.031 7.772 1.00 0.00 O ATOM 378 OE2 GLU A 28 -11.702 -4.304 7.027 1.00 0.00 O ATOM 0 H GLU A 28 -6.278 -4.200 9.150 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.027 -6.220 8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.754 -3.935 8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.636 -3.335 7.455 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.574 -3.342 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.975 -4.943 5.836 1.00 0.00 H new ATOM 385 N VAL A 29 -6.078 -5.070 5.897 1.00 0.00 N ATOM 386 CA VAL A 29 -5.515 -5.401 4.594 1.00 0.00 C ATOM 387 C VAL A 29 -5.040 -6.849 4.551 1.00 0.00 C ATOM 388 O VAL A 29 -5.506 -7.641 3.733 1.00 0.00 O ATOM 389 CB VAL A 29 -4.335 -4.475 4.241 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.734 -4.865 2.899 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.784 -3.022 4.231 1.00 0.00 C ATOM 0 H VAL A 29 -5.785 -4.165 6.265 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.310 -5.261 3.862 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.565 -4.588 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.902 -4.200 2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.375 -5.893 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.494 -4.781 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.938 -2.382 3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.572 -2.890 3.490 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.164 -2.752 5.216 1.00 0.00 H new ATOM 401 N GLU A 30 -4.110 -7.188 5.439 1.00 0.00 N ATOM 402 CA GLU A 30 -3.573 -8.541 5.503 1.00 0.00 C ATOM 403 C GLU A 30 -4.687 -9.576 5.372 1.00 0.00 C ATOM 404 O GLU A 30 -4.558 -10.552 4.633 1.00 0.00 O ATOM 405 CB GLU A 30 -2.817 -8.753 6.816 1.00 0.00 C ATOM 406 CG GLU A 30 -2.186 -10.130 6.941 1.00 0.00 C ATOM 407 CD GLU A 30 -1.058 -10.166 7.953 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.350 -10.187 9.167 1.00 0.00 O ATOM 409 OE2 GLU A 30 0.117 -10.172 7.531 1.00 0.00 O ATOM 0 H GLU A 30 -3.714 -6.544 6.123 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.882 -8.669 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.037 -7.996 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.503 -8.600 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.951 -10.851 7.230 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.806 -10.441 5.968 1.00 0.00 H new ATOM 416 N ARG A 31 -5.779 -9.355 6.095 1.00 0.00 N ATOM 417 CA ARG A 31 -6.915 -10.268 6.062 1.00 0.00 C ATOM 418 C ARG A 31 -7.585 -10.253 4.691 1.00 0.00 C ATOM 419 O ARG A 31 -7.691 -11.286 4.029 1.00 0.00 O ATOM 420 CB ARG A 31 -7.931 -9.892 7.142 1.00 0.00 C ATOM 421 CG ARG A 31 -7.739 -10.645 8.448 1.00 0.00 C ATOM 422 CD ARG A 31 -8.242 -12.077 8.345 1.00 0.00 C ATOM 423 NE ARG A 31 -9.684 -12.135 8.122 1.00 0.00 N ATOM 424 CZ ARG A 31 -10.429 -13.198 8.406 1.00 0.00 C ATOM 425 NH1 ARG A 31 -9.871 -14.285 8.920 1.00 0.00 N ATOM 426 NH2 ARG A 31 -11.735 -13.174 8.174 1.00 0.00 N ATOM 0 H ARG A 31 -5.902 -8.551 6.711 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.545 -11.275 6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.863 -8.822 7.336 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.936 -10.084 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.682 -10.648 8.716 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.269 -10.129 9.248 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.728 -12.584 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.995 -12.615 9.260 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.144 -11.315 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.867 -14.307 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.446 -15.099 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.167 -12.340 7.778 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.307 -13.990 8.392 1.00 0.00 H new ATOM 440 N LEU A 32 -8.036 -9.076 4.272 1.00 0.00 N ATOM 441 CA LEU A 32 -8.697 -8.926 2.980 1.00 0.00 C ATOM 442 C LEU A 32 -7.998 -9.759 1.911 1.00 0.00 C ATOM 443 O LEU A 32 -8.640 -10.505 1.172 1.00 0.00 O ATOM 444 CB LEU A 32 -8.717 -7.454 2.564 1.00 0.00 C ATOM 445 CG LEU A 32 -9.319 -6.478 3.576 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.298 -5.060 3.027 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.738 -6.892 3.937 1.00 0.00 C ATOM 0 H LEU A 32 -7.956 -8.212 4.808 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.722 -9.283 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.694 -7.143 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.274 -7.368 1.631 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.713 -6.504 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.730 -4.379 3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.269 -4.765 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.880 -5.018 2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.151 -6.186 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.356 -6.896 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.726 -7.891 4.373 1.00 0.00 H new ATOM 459 N PHE A 33 -6.677 -9.628 1.836 1.00 0.00 N ATOM 460 CA PHE A 33 -5.890 -10.370 0.858 1.00 0.00 C ATOM 461 C PHE A 33 -6.336 -11.828 0.793 1.00 0.00 C ATOM 462 O PHE A 33 -6.725 -12.324 -0.264 1.00 0.00 O ATOM 463 CB PHE A 33 -4.402 -10.295 1.207 1.00 0.00 C ATOM 464 CG PHE A 33 -3.745 -9.020 0.761 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.493 -7.870 0.571 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.379 -8.972 0.534 1.00 0.00 C ATOM 467 CE1 PHE A 33 -3.891 -6.695 0.160 1.00 0.00 C ATOM 468 CE2 PHE A 33 -1.771 -7.801 0.123 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.528 -6.660 -0.063 1.00 0.00 C ATOM 0 H PHE A 33 -6.130 -9.015 2.441 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.050 -9.916 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.285 -10.397 2.286 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.887 -11.139 0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.559 -7.891 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.782 -9.860 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.486 -5.805 0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.706 -7.778 -0.053 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.055 -5.743 -0.382 1.00 0.00 H new ATOM 479 N LYS A 34 -6.278 -12.509 1.932 1.00 0.00 N ATOM 480 CA LYS A 34 -6.676 -13.910 2.008 1.00 0.00 C ATOM 481 C LYS A 34 -8.160 -14.071 1.697 1.00 0.00 C ATOM 482 O LYS A 34 -8.566 -15.030 1.040 1.00 0.00 O ATOM 483 CB LYS A 34 -6.371 -14.473 3.398 1.00 0.00 C ATOM 484 CG LYS A 34 -4.934 -14.258 3.840 1.00 0.00 C ATOM 485 CD LYS A 34 -4.834 -14.079 5.345 1.00 0.00 C ATOM 486 CE LYS A 34 -3.398 -13.842 5.785 1.00 0.00 C ATOM 487 NZ LYS A 34 -3.251 -13.913 7.265 1.00 0.00 N ATOM 0 H LYS A 34 -5.959 -12.113 2.816 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.105 -14.466 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.039 -14.008 4.123 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.588 -15.541 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.327 -15.110 3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.526 -13.379 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.454 -13.237 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.227 -14.965 5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.749 -14.584 5.320 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.068 -12.864 5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.258 -13.746 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.851 -13.188 7.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.542 -14.854 7.598 1.00 0.00 H new ATOM 501 N ALA A 35 -8.966 -13.126 2.171 1.00 0.00 N ATOM 502 CA ALA A 35 -10.404 -13.162 1.940 1.00 0.00 C ATOM 503 C ALA A 35 -10.721 -13.168 0.449 1.00 0.00 C ATOM 504 O ALA A 35 -11.260 -14.141 -0.079 1.00 0.00 O ATOM 505 CB ALA A 35 -11.078 -11.980 2.621 1.00 0.00 C ATOM 0 H ALA A 35 -8.647 -12.326 2.717 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.793 -14.085 2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.152 -12.020 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.889 -12.022 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.676 -11.050 2.218 1.00 0.00 H new ATOM 511 N THR A 36 -10.383 -12.074 -0.227 1.00 0.00 N ATOM 512 CA THR A 36 -10.633 -11.952 -1.658 1.00 0.00 C ATOM 513 C THR A 36 -10.223 -13.220 -2.398 1.00 0.00 C ATOM 514 O THR A 36 -10.719 -13.501 -3.489 1.00 0.00 O ATOM 515 CB THR A 36 -9.878 -10.752 -2.260 1.00 0.00 C ATOM 516 OG1 THR A 36 -10.294 -10.540 -3.614 1.00 0.00 O ATOM 517 CG2 THR A 36 -8.375 -10.983 -2.216 1.00 0.00 C ATOM 0 H THR A 36 -9.935 -11.260 0.194 1.00 0.00 H new ATOM 0 HA THR A 36 -11.705 -11.795 -1.779 1.00 0.00 H new ATOM 0 HB THR A 36 -10.112 -9.868 -1.667 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.810 -9.774 -3.989 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.862 -10.123 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.057 -11.115 -1.182 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.127 -11.877 -2.788 1.00 0.00 H new ATOM 525 N SER A 37 -9.315 -13.982 -1.797 1.00 0.00 N ATOM 526 CA SER A 37 -8.836 -15.220 -2.402 1.00 0.00 C ATOM 527 C SER A 37 -9.855 -16.341 -2.226 1.00 0.00 C ATOM 528 O SER A 37 -10.471 -16.495 -1.171 1.00 0.00 O ATOM 529 CB SER A 37 -7.498 -15.630 -1.782 1.00 0.00 C ATOM 530 OG SER A 37 -6.746 -16.431 -2.677 1.00 0.00 O ATOM 0 H SER A 37 -8.896 -13.765 -0.893 1.00 0.00 H new ATOM 0 HA SER A 37 -8.696 -15.044 -3.469 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.927 -14.739 -1.519 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.675 -16.180 -0.858 1.00 0.00 H new ATOM 0 HG SER A 37 -6.173 -17.042 -2.167 1.00 0.00 H new ATOM 536 N PRO A 38 -10.040 -17.143 -3.285 1.00 0.00 N ATOM 537 CA PRO A 38 -10.984 -18.264 -3.274 1.00 0.00 C ATOM 538 C PRO A 38 -10.522 -19.402 -2.369 1.00 0.00 C ATOM 539 O PRO A 38 -11.320 -20.245 -1.960 1.00 0.00 O ATOM 540 CB PRO A 38 -11.011 -18.720 -4.735 1.00 0.00 C ATOM 541 CG PRO A 38 -9.696 -18.292 -5.289 1.00 0.00 C ATOM 542 CD PRO A 38 -9.341 -17.017 -4.575 1.00 0.00 C ATOM 0 HA PRO A 38 -11.960 -17.971 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.140 -19.800 -4.811 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.838 -18.261 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.936 -19.056 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.759 -18.132 -6.365 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.264 -16.918 -4.440 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.675 -16.140 -5.129 1.00 0.00 H new ATOM 550 N ARG A 39 -9.229 -19.419 -2.061 1.00 0.00 N ATOM 551 CA ARG A 39 -8.662 -20.454 -1.205 1.00 0.00 C ATOM 552 C ARG A 39 -8.189 -19.864 0.121 1.00 0.00 C ATOM 553 O ARG A 39 -7.354 -20.449 0.809 1.00 0.00 O ATOM 554 CB ARG A 39 -7.496 -21.147 -1.912 1.00 0.00 C ATOM 555 CG ARG A 39 -7.928 -22.059 -3.048 1.00 0.00 C ATOM 556 CD ARG A 39 -6.740 -22.780 -3.666 1.00 0.00 C ATOM 557 NE ARG A 39 -7.155 -23.912 -4.490 1.00 0.00 N ATOM 558 CZ ARG A 39 -7.569 -25.072 -3.990 1.00 0.00 C ATOM 559 NH1 ARG A 39 -7.622 -25.250 -2.677 1.00 0.00 N ATOM 560 NH2 ARG A 39 -7.930 -26.055 -4.804 1.00 0.00 N ATOM 0 H ARG A 39 -8.555 -18.728 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.441 -21.188 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.818 -20.389 -2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.935 -21.731 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.646 -22.790 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.437 -21.473 -3.813 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.167 -22.080 -4.274 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.077 -23.131 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.126 -23.807 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.345 -24.496 -2.049 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.940 -26.141 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.890 -25.921 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.248 -26.945 -4.420 1.00 0.00 H new ATOM 574 N GLY A 40 -8.730 -18.701 0.472 1.00 0.00 N ATOM 575 CA GLY A 40 -8.350 -18.051 1.713 1.00 0.00 C ATOM 576 C GLY A 40 -6.852 -17.855 1.830 1.00 0.00 C ATOM 577 O GLY A 40 -6.311 -17.805 2.934 1.00 0.00 O ATOM 0 H GLY A 40 -9.424 -18.198 -0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.846 -17.083 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.702 -18.648 2.555 1.00 0.00 H new ATOM 581 N GLU A 41 -6.180 -17.745 0.689 1.00 0.00 N ATOM 582 CA GLU A 41 -4.734 -17.556 0.669 1.00 0.00 C ATOM 583 C GLU A 41 -4.310 -16.720 -0.535 1.00 0.00 C ATOM 584 O GLU A 41 -4.573 -17.067 -1.687 1.00 0.00 O ATOM 585 CB GLU A 41 -4.021 -18.909 0.641 1.00 0.00 C ATOM 586 CG GLU A 41 -4.346 -19.743 -0.587 1.00 0.00 C ATOM 587 CD GLU A 41 -3.765 -21.142 -0.513 1.00 0.00 C ATOM 588 OE1 GLU A 41 -2.523 -21.270 -0.548 1.00 0.00 O ATOM 589 OE2 GLU A 41 -4.551 -22.107 -0.419 1.00 0.00 O ATOM 0 H GLU A 41 -6.613 -17.783 -0.234 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.451 -17.023 1.577 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.944 -18.744 0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.292 -19.472 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.428 -19.809 -0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.962 -19.241 -1.475 1.00 0.00 H new ATOM 596 N PRO A 42 -3.640 -15.590 -0.264 1.00 0.00 N ATOM 597 CA PRO A 42 -3.166 -14.681 -1.312 1.00 0.00 C ATOM 598 C PRO A 42 -2.024 -15.279 -2.126 1.00 0.00 C ATOM 599 O PRO A 42 -1.475 -16.321 -1.768 1.00 0.00 O ATOM 600 CB PRO A 42 -2.681 -13.459 -0.528 1.00 0.00 C ATOM 601 CG PRO A 42 -2.332 -13.988 0.821 1.00 0.00 C ATOM 602 CD PRO A 42 -3.293 -15.114 1.085 1.00 0.00 C ATOM 0 HA PRO A 42 -3.946 -14.456 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.818 -12.998 -1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.456 -12.696 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.301 -14.341 0.847 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.423 -13.211 1.580 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.835 -15.901 1.683 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.173 -14.772 1.629 1.00 0.00 H new ATOM 610 N GLN A 43 -1.671 -14.613 -3.220 1.00 0.00 N ATOM 611 CA GLN A 43 -0.593 -15.081 -4.084 1.00 0.00 C ATOM 612 C GLN A 43 0.649 -14.211 -3.925 1.00 0.00 C ATOM 613 O GLN A 43 0.551 -12.990 -3.795 1.00 0.00 O ATOM 614 CB GLN A 43 -1.047 -15.081 -5.545 1.00 0.00 C ATOM 615 CG GLN A 43 -1.651 -16.401 -5.995 1.00 0.00 C ATOM 616 CD GLN A 43 -2.717 -16.224 -7.058 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.664 -16.849 -8.117 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.693 -15.367 -6.780 1.00 0.00 N ATOM 0 H GLN A 43 -2.115 -13.748 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.340 -16.099 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.781 -14.288 -5.689 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.194 -14.846 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.861 -17.044 -6.382 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.083 -16.910 -5.134 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.697 -14.870 -5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.438 -15.206 -7.457 1.00 0.00 H new ATOM 627 N ASP A 44 1.815 -14.846 -3.937 1.00 0.00 N ATOM 628 CA ASP A 44 3.078 -14.130 -3.794 1.00 0.00 C ATOM 629 C ASP A 44 3.128 -12.926 -4.730 1.00 0.00 C ATOM 630 O ASP A 44 3.148 -13.077 -5.951 1.00 0.00 O ATOM 631 CB ASP A 44 4.254 -15.064 -4.081 1.00 0.00 C ATOM 632 CG ASP A 44 5.568 -14.318 -4.207 1.00 0.00 C ATOM 633 OD1 ASP A 44 6.058 -13.801 -3.181 1.00 0.00 O ATOM 634 OD2 ASP A 44 6.107 -14.253 -5.331 1.00 0.00 O ATOM 0 H ASP A 44 1.913 -15.856 -4.044 1.00 0.00 H new ATOM 0 HA ASP A 44 3.151 -13.773 -2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.333 -15.801 -3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.062 -15.613 -5.003 1.00 0.00 H new ATOM 639 N GLY A 45 3.147 -11.730 -4.148 1.00 0.00 N ATOM 640 CA GLY A 45 3.193 -10.518 -4.945 1.00 0.00 C ATOM 641 C GLY A 45 1.979 -9.636 -4.730 1.00 0.00 C ATOM 642 O GLY A 45 1.959 -8.481 -5.157 1.00 0.00 O ATOM 0 H GLY A 45 3.131 -11.579 -3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.094 -9.957 -4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.263 -10.783 -6.000 1.00 0.00 H new ATOM 646 N LEU A 46 0.965 -10.180 -4.068 1.00 0.00 N ATOM 647 CA LEU A 46 -0.260 -9.435 -3.798 1.00 0.00 C ATOM 648 C LEU A 46 0.051 -8.097 -3.136 1.00 0.00 C ATOM 649 O LEU A 46 0.429 -8.044 -1.965 1.00 0.00 O ATOM 650 CB LEU A 46 -1.192 -10.255 -2.904 1.00 0.00 C ATOM 651 CG LEU A 46 -2.687 -9.971 -3.054 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.127 -10.173 -4.495 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.495 -10.859 -2.118 1.00 0.00 C ATOM 0 H LEU A 46 0.966 -11.134 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.756 -9.242 -4.749 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.021 -11.312 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.912 -10.081 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.869 -8.931 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.194 -9.966 -4.582 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.572 -9.495 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.931 -11.203 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.557 -10.643 -2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.308 -11.906 -2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.200 -10.665 -1.087 1.00 0.00 H new ATOM 665 N TYR A 47 -0.111 -7.017 -3.893 1.00 0.00 N ATOM 666 CA TYR A 47 0.153 -5.678 -3.380 1.00 0.00 C ATOM 667 C TYR A 47 -1.104 -4.815 -3.436 1.00 0.00 C ATOM 668 O TYR A 47 -2.074 -5.156 -4.115 1.00 0.00 O ATOM 669 CB TYR A 47 1.276 -5.015 -4.180 1.00 0.00 C ATOM 670 CG TYR A 47 0.904 -4.720 -5.615 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.062 -5.681 -6.606 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.395 -3.480 -5.981 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.724 -5.416 -7.919 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.053 -3.206 -7.291 1.00 0.00 C ATOM 675 CZ TYR A 47 0.220 -4.177 -8.256 1.00 0.00 C ATOM 676 OH TYR A 47 -0.119 -3.909 -9.563 1.00 0.00 O ATOM 0 H TYR A 47 -0.424 -7.043 -4.864 1.00 0.00 H new ATOM 0 HA TYR A 47 0.462 -5.770 -2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.560 -4.085 -3.689 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.152 -5.663 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.456 -6.652 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.264 -2.717 -5.228 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.854 -6.174 -8.677 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.343 -2.237 -7.558 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.459 -2.993 -9.631 1.00 0.00 H new ATOM 686 N CYS A 48 -1.079 -3.698 -2.719 1.00 0.00 N ATOM 687 CA CYS A 48 -2.217 -2.785 -2.686 1.00 0.00 C ATOM 688 C CYS A 48 -1.796 -1.411 -2.175 1.00 0.00 C ATOM 689 O CYS A 48 -0.614 -1.162 -1.935 1.00 0.00 O ATOM 690 CB CYS A 48 -3.328 -3.353 -1.801 1.00 0.00 C ATOM 691 SG CYS A 48 -3.159 -2.941 -0.049 1.00 0.00 S ATOM 0 H CYS A 48 -0.284 -3.402 -2.153 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.593 -2.675 -3.703 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.288 -2.983 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.345 -4.438 -1.908 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.244 -3.278 0.583 1.00 0.00 H new ATOM 697 N ILE A 49 -2.770 -0.522 -2.013 1.00 0.00 N ATOM 698 CA ILE A 49 -2.500 0.827 -1.531 1.00 0.00 C ATOM 699 C ILE A 49 -3.541 1.263 -0.506 1.00 0.00 C ATOM 700 O ILE A 49 -4.691 1.535 -0.850 1.00 0.00 O ATOM 701 CB ILE A 49 -2.479 1.844 -2.688 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.405 1.464 -3.710 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.236 3.248 -2.154 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.526 2.212 -5.019 1.00 0.00 C ATOM 0 H ILE A 49 -3.753 -0.711 -2.208 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.517 0.803 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.449 1.828 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.422 1.656 -3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.464 0.393 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.224 3.956 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.032 3.516 -1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.277 3.279 -1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.733 1.893 -5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.495 2.000 -5.471 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.437 3.283 -4.836 1.00 0.00 H new ATOM 716 N ARG A 50 -3.129 1.329 0.756 1.00 0.00 N ATOM 717 CA ARG A 50 -4.026 1.733 1.833 1.00 0.00 C ATOM 718 C ARG A 50 -3.651 3.114 2.363 1.00 0.00 C ATOM 719 O ARG A 50 -2.551 3.607 2.117 1.00 0.00 O ATOM 720 CB ARG A 50 -3.985 0.710 2.969 1.00 0.00 C ATOM 721 CG ARG A 50 -2.683 0.723 3.754 1.00 0.00 C ATOM 722 CD ARG A 50 -2.768 -0.162 4.988 1.00 0.00 C ATOM 723 NE ARG A 50 -1.476 -0.294 5.657 1.00 0.00 N ATOM 724 CZ ARG A 50 -0.993 0.606 6.506 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.691 1.698 6.789 1.00 0.00 N ATOM 726 NH2 ARG A 50 0.190 0.415 7.074 1.00 0.00 N ATOM 0 H ARG A 50 -2.180 1.108 1.058 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.038 1.780 1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.813 0.904 3.651 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.140 -0.286 2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.868 0.382 3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.447 1.744 4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.496 0.255 5.684 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.131 -1.149 4.702 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.914 -1.123 5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.601 1.848 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.317 2.387 7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.730 -0.423 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.560 1.107 7.726 1.00 0.00 H new ATOM 740 N ASN A 51 -4.574 3.733 3.092 1.00 0.00 N ATOM 741 CA ASN A 51 -4.341 5.057 3.656 1.00 0.00 C ATOM 742 C ASN A 51 -3.471 4.971 4.906 1.00 0.00 C ATOM 743 O ASN A 51 -3.362 3.913 5.527 1.00 0.00 O ATOM 744 CB ASN A 51 -5.672 5.732 3.993 1.00 0.00 C ATOM 745 CG ASN A 51 -6.309 6.391 2.784 1.00 0.00 C ATOM 746 OD1 ASN A 51 -6.875 5.580 1.898 1.00 0.00 O flip ATOM 747 ND2 ASN A 51 -6.292 7.615 2.649 1.00 0.00 N flip ATOM 0 H ASN A 51 -5.490 3.339 3.306 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.816 5.655 2.911 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.358 4.991 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.510 6.481 4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.845 8.200 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.724 8.044 1.831 1.00 0.00 H new ATOM 830 N LYS A 58 -0.140 7.893 0.750 1.00 0.00 N ATOM 831 CA LYS A 58 -0.561 6.497 0.775 1.00 0.00 C ATOM 832 C LYS A 58 0.576 5.594 1.242 1.00 0.00 C ATOM 833 O LYS A 58 1.697 6.054 1.461 1.00 0.00 O ATOM 834 CB LYS A 58 -1.036 6.061 -0.613 1.00 0.00 C ATOM 835 CG LYS A 58 -2.439 6.536 -0.952 1.00 0.00 C ATOM 836 CD LYS A 58 -3.496 5.659 -0.302 1.00 0.00 C ATOM 837 CE LYS A 58 -4.848 5.823 -0.980 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.723 4.637 -0.765 1.00 0.00 N ATOM 0 HA LYS A 58 -1.387 6.405 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.342 6.442 -1.362 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.005 4.973 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.565 7.567 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.575 6.530 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.186 4.615 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.584 5.914 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.343 6.714 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.702 5.978 -2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.449 4.602 -1.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.149 3.771 -0.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.183 4.709 0.165 1.00 0.00 H new ATOM 852 N VAL A 59 0.281 4.307 1.391 1.00 0.00 N ATOM 853 CA VAL A 59 1.279 3.339 1.829 1.00 0.00 C ATOM 854 C VAL A 59 1.155 2.032 1.052 1.00 0.00 C ATOM 855 O VAL A 59 0.165 1.312 1.182 1.00 0.00 O ATOM 856 CB VAL A 59 1.151 3.043 3.335 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.196 2.026 3.770 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.275 4.326 4.142 1.00 0.00 C ATOM 0 H VAL A 59 -0.642 3.910 1.215 1.00 0.00 H new ATOM 0 HA VAL A 59 2.256 3.782 1.636 1.00 0.00 H new ATOM 0 HB VAL A 59 0.165 2.617 3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.090 1.829 4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.055 1.099 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.192 2.420 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.182 4.098 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.246 4.783 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.485 5.018 3.849 1.00 0.00 H new ATOM 868 N LEU A 60 2.167 1.732 0.246 1.00 0.00 N ATOM 869 CA LEU A 60 2.173 0.511 -0.552 1.00 0.00 C ATOM 870 C LEU A 60 2.383 -0.716 0.331 1.00 0.00 C ATOM 871 O LEU A 60 3.412 -0.848 0.993 1.00 0.00 O ATOM 872 CB LEU A 60 3.268 0.579 -1.618 1.00 0.00 C ATOM 873 CG LEU A 60 3.664 -0.750 -2.261 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.526 -1.291 -3.112 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.925 -0.585 -3.095 1.00 0.00 C ATOM 0 H LEU A 60 2.994 2.317 0.128 1.00 0.00 H new ATOM 0 HA LEU A 60 1.203 0.422 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.938 1.256 -2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.157 1.021 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 60 3.870 -1.468 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.826 -2.237 -3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.647 -1.449 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.288 -0.575 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.191 -1.541 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.748 0.149 -3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.741 -0.244 -2.458 1.00 0.00 H new ATOM 887 N VAL A 61 1.401 -1.611 0.334 1.00 0.00 N ATOM 888 CA VAL A 61 1.479 -2.829 1.132 1.00 0.00 C ATOM 889 C VAL A 61 1.553 -4.065 0.243 1.00 0.00 C ATOM 890 O VAL A 61 0.596 -4.398 -0.456 1.00 0.00 O ATOM 891 CB VAL A 61 0.269 -2.960 2.076 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.218 -4.351 2.690 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.320 -1.892 3.159 1.00 0.00 C ATOM 0 H VAL A 61 0.542 -1.516 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 61 2.389 -2.759 1.728 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.641 -2.812 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.643 -4.424 3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.130 -5.095 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.130 -4.532 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.542 -1.999 3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.236 -2.006 3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.303 -0.905 2.697 1.00 0.00 H new ATOM 903 N VAL A 62 2.695 -4.744 0.276 1.00 0.00 N ATOM 904 CA VAL A 62 2.894 -5.945 -0.526 1.00 0.00 C ATOM 905 C VAL A 62 2.808 -7.201 0.335 1.00 0.00 C ATOM 906 O VAL A 62 3.128 -7.173 1.523 1.00 0.00 O ATOM 907 CB VAL A 62 4.256 -5.921 -1.245 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.339 -7.043 -2.269 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.486 -4.570 -1.904 1.00 0.00 C ATOM 0 H VAL A 62 3.497 -4.483 0.850 1.00 0.00 H new ATOM 0 HA VAL A 62 2.099 -5.963 -1.271 1.00 0.00 H new ATOM 0 HB VAL A 62 5.041 -6.078 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.308 -7.010 -2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.221 -8.003 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.547 -6.921 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.453 -4.571 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.698 -4.382 -2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.473 -3.788 -1.145 1.00 0.00 H new ATOM 919 N TRP A 63 2.375 -8.299 -0.273 1.00 0.00 N ATOM 920 CA TRP A 63 2.247 -9.566 0.439 1.00 0.00 C ATOM 921 C TRP A 63 3.526 -10.388 0.319 1.00 0.00 C ATOM 922 O TRP A 63 4.021 -10.626 -0.782 1.00 0.00 O ATOM 923 CB TRP A 63 1.061 -10.363 -0.106 1.00 0.00 C ATOM 924 CG TRP A 63 1.011 -11.774 0.398 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.261 -12.909 -0.318 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.690 -12.198 1.728 1.00 0.00 C ATOM 927 NE1 TRP A 63 1.114 -14.014 0.486 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.766 -13.604 1.746 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.349 -11.526 2.905 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.511 -14.348 2.895 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.096 -12.266 4.044 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.178 -13.665 4.033 1.00 0.00 C ATOM 0 H TRP A 63 2.107 -8.338 -1.256 1.00 0.00 H new ATOM 0 HA TRP A 63 2.075 -9.347 1.493 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.136 -9.855 0.165 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.110 -10.375 -1.195 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.534 -12.935 -1.363 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.243 -14.982 0.192 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.284 -10.448 2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.574 -15.426 2.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.170 -11.757 4.959 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.026 -14.215 4.940 1.00 0.00 H new ATOM 943 N ASP A 64 4.054 -10.820 1.459 1.00 0.00 N ATOM 944 CA ASP A 64 5.275 -11.618 1.481 1.00 0.00 C ATOM 945 C ASP A 64 4.955 -13.096 1.678 1.00 0.00 C ATOM 946 O ASP A 64 4.871 -13.577 2.808 1.00 0.00 O ATOM 947 CB ASP A 64 6.207 -11.132 2.593 1.00 0.00 C ATOM 948 CG ASP A 64 7.627 -11.631 2.417 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.037 -11.859 1.259 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.330 -11.792 3.436 1.00 0.00 O ATOM 0 H ASP A 64 3.656 -10.631 2.379 1.00 0.00 H new ATOM 0 HA ASP A 64 5.775 -11.499 0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.208 -10.042 2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.824 -11.467 3.557 1.00 0.00 H new ATOM 955 N GLU A 65 4.776 -13.811 0.572 1.00 0.00 N ATOM 956 CA GLU A 65 4.463 -15.234 0.624 1.00 0.00 C ATOM 957 C GLU A 65 5.599 -16.017 1.276 1.00 0.00 C ATOM 958 O GLU A 65 5.388 -17.100 1.823 1.00 0.00 O ATOM 959 CB GLU A 65 4.198 -15.773 -0.783 1.00 0.00 C ATOM 960 CG GLU A 65 3.546 -17.145 -0.797 1.00 0.00 C ATOM 961 CD GLU A 65 2.031 -17.071 -0.788 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.480 -16.133 -1.402 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.397 -17.949 -0.168 1.00 0.00 O ATOM 0 H GLU A 65 4.842 -13.428 -0.371 1.00 0.00 H new ATOM 0 HA GLU A 65 3.564 -15.360 1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.558 -15.071 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.141 -15.823 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.874 -17.690 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.884 -17.712 0.070 1.00 0.00 H new ATOM 970 N THR A 66 6.805 -15.462 1.212 1.00 0.00 N ATOM 971 CA THR A 66 7.975 -16.108 1.793 1.00 0.00 C ATOM 972 C THR A 66 7.882 -16.149 3.314 1.00 0.00 C ATOM 973 O THR A 66 8.391 -17.070 3.952 1.00 0.00 O ATOM 974 CB THR A 66 9.274 -15.386 1.389 1.00 0.00 C ATOM 975 OG1 THR A 66 9.277 -14.053 1.912 1.00 0.00 O ATOM 976 CG2 THR A 66 9.421 -15.342 -0.125 1.00 0.00 C ATOM 0 H THR A 66 6.997 -14.566 0.763 1.00 0.00 H new ATOM 0 HA THR A 66 7.998 -17.127 1.405 1.00 0.00 H new ATOM 0 HB THR A 66 10.115 -15.941 1.804 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.911 -13.438 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.346 -14.827 -0.386 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.448 -16.358 -0.518 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.574 -14.809 -0.557 1.00 0.00 H new ATOM 984 N SER A 67 7.229 -15.144 3.890 1.00 0.00 N ATOM 985 CA SER A 67 7.072 -15.064 5.337 1.00 0.00 C ATOM 986 C SER A 67 5.598 -14.967 5.719 1.00 0.00 C ATOM 987 O SER A 67 5.259 -14.779 6.887 1.00 0.00 O ATOM 988 CB SER A 67 7.834 -13.857 5.888 1.00 0.00 C ATOM 989 OG SER A 67 9.224 -14.120 5.957 1.00 0.00 O ATOM 0 H SER A 67 6.800 -14.374 3.376 1.00 0.00 H new ATOM 0 HA SER A 67 7.483 -15.974 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.656 -12.990 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.458 -13.608 6.880 1.00 0.00 H new ATOM 0 HG SER A 67 9.689 -13.333 6.311 1.00 0.00 H new ATOM 995 N ASN A 68 4.726 -15.098 4.725 1.00 0.00 N ATOM 996 CA ASN A 68 3.288 -15.024 4.955 1.00 0.00 C ATOM 997 C ASN A 68 2.931 -13.791 5.779 1.00 0.00 C ATOM 998 O ASN A 68 2.200 -13.879 6.766 1.00 0.00 O ATOM 999 CB ASN A 68 2.799 -16.287 5.669 1.00 0.00 C ATOM 1000 CG ASN A 68 1.293 -16.446 5.597 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.766 -17.058 4.667 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.592 -15.894 6.580 1.00 0.00 N ATOM 0 H ASN A 68 4.990 -15.256 3.752 1.00 0.00 H new ATOM 0 HA ASN A 68 2.794 -14.947 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.275 -17.160 5.223 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.108 -16.253 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.425 -15.968 6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.071 -15.396 7.331 1.00 0.00 H new ATOM 1009 N LYS A 69 3.451 -12.640 5.366 1.00 0.00 N ATOM 1010 CA LYS A 69 3.187 -11.387 6.063 1.00 0.00 C ATOM 1011 C LYS A 69 3.183 -10.213 5.090 1.00 0.00 C ATOM 1012 O LYS A 69 3.842 -10.253 4.051 1.00 0.00 O ATOM 1013 CB LYS A 69 4.235 -11.155 7.154 1.00 0.00 C ATOM 1014 CG LYS A 69 5.656 -11.071 6.624 1.00 0.00 C ATOM 1015 CD LYS A 69 6.611 -10.525 7.672 1.00 0.00 C ATOM 1016 CE LYS A 69 6.538 -9.009 7.758 1.00 0.00 C ATOM 1017 NZ LYS A 69 7.578 -8.454 8.668 1.00 0.00 N ATOM 0 H LYS A 69 4.058 -12.549 4.551 1.00 0.00 H new ATOM 0 HA LYS A 69 2.202 -11.458 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.998 -10.232 7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.175 -11.964 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.987 -12.061 6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.679 -10.432 5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.372 -10.957 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.630 -10.828 7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.662 -8.582 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.550 -8.712 8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.495 -7.418 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.445 -8.841 9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.522 -8.715 8.317 1.00 0.00 H new ATOM 1031 N VAL A 70 2.437 -9.167 5.433 1.00 0.00 N ATOM 1032 CA VAL A 70 2.350 -7.981 4.590 1.00 0.00 C ATOM 1033 C VAL A 70 3.526 -7.042 4.839 1.00 0.00 C ATOM 1034 O VAL A 70 4.227 -7.162 5.844 1.00 0.00 O ATOM 1035 CB VAL A 70 1.036 -7.215 4.833 1.00 0.00 C ATOM 1036 CG1 VAL A 70 -0.161 -8.084 4.478 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.953 -6.743 6.277 1.00 0.00 C ATOM 0 H VAL A 70 1.884 -9.117 6.289 1.00 0.00 H new ATOM 0 HA VAL A 70 2.376 -8.325 3.556 1.00 0.00 H new ATOM 0 HB VAL A 70 1.023 -6.337 4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.081 -7.527 4.656 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.106 -8.367 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.155 -8.982 5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.018 -6.204 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.989 -7.604 6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.793 -6.082 6.493 1.00 0.00 H new ATOM 1047 N ARG A 71 3.735 -6.108 3.918 1.00 0.00 N ATOM 1048 CA ARG A 71 4.826 -5.148 4.037 1.00 0.00 C ATOM 1049 C ARG A 71 4.290 -3.721 4.103 1.00 0.00 C ATOM 1050 O ARG A 71 3.149 -3.458 3.729 1.00 0.00 O ATOM 1051 CB ARG A 71 5.789 -5.289 2.857 1.00 0.00 C ATOM 1052 CG ARG A 71 6.378 -6.683 2.714 1.00 0.00 C ATOM 1053 CD ARG A 71 7.371 -6.984 3.826 1.00 0.00 C ATOM 1054 NE ARG A 71 8.411 -5.964 3.922 1.00 0.00 N ATOM 1055 CZ ARG A 71 9.121 -5.739 5.023 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.902 -6.459 6.115 1.00 0.00 N ATOM 1057 NH2 ARG A 71 10.051 -4.793 5.032 1.00 0.00 N ATOM 0 H ARG A 71 3.163 -5.995 3.081 1.00 0.00 H new ATOM 0 HA ARG A 71 5.363 -5.359 4.962 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.264 -5.030 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.601 -4.571 2.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.576 -7.421 2.731 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.874 -6.772 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.841 -7.052 4.776 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.832 -7.956 3.647 1.00 0.00 H new ATOM 0 HE ARG A 71 8.603 -5.393 3.099 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.188 -7.187 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.448 -6.285 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.222 -4.238 4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.595 -4.621 5.877 1.00 0.00 H new ATOM 1071 N ASN A 72 5.124 -2.803 4.583 1.00 0.00 N ATOM 1072 CA ASN A 72 4.733 -1.403 4.699 1.00 0.00 C ATOM 1073 C ASN A 72 5.732 -0.498 3.983 1.00 0.00 C ATOM 1074 O ASN A 72 6.883 -0.374 4.401 1.00 0.00 O ATOM 1075 CB ASN A 72 4.630 -1.001 6.172 1.00 0.00 C ATOM 1076 CG ASN A 72 5.579 -1.789 7.054 1.00 0.00 C ATOM 1077 OD1 ASN A 72 6.717 -1.380 7.282 1.00 0.00 O ATOM 1078 ND2 ASN A 72 5.112 -2.927 7.555 1.00 0.00 N ATOM 0 H ASN A 72 6.073 -3.004 4.897 1.00 0.00 H new ATOM 0 HA ASN A 72 3.758 -1.284 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.845 0.063 6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.607 -1.153 6.517 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.704 -3.501 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.161 -3.227 7.339 1.00 0.00 H new ATOM 1085 N TYR A 73 5.283 0.130 2.902 1.00 0.00 N ATOM 1086 CA TYR A 73 6.137 1.022 2.127 1.00 0.00 C ATOM 1087 C TYR A 73 5.514 2.410 2.012 1.00 0.00 C ATOM 1088 O TYR A 73 4.707 2.669 1.120 1.00 0.00 O ATOM 1089 CB TYR A 73 6.380 0.443 0.732 1.00 0.00 C ATOM 1090 CG TYR A 73 7.236 -0.803 0.733 1.00 0.00 C ATOM 1091 CD1 TYR A 73 6.665 -2.062 0.872 1.00 0.00 C ATOM 1092 CD2 TYR A 73 8.616 -0.721 0.597 1.00 0.00 C ATOM 1093 CE1 TYR A 73 7.443 -3.203 0.875 1.00 0.00 C ATOM 1094 CE2 TYR A 73 9.402 -1.857 0.598 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.812 -3.096 0.737 1.00 0.00 C ATOM 1096 OH TYR A 73 9.591 -4.229 0.739 1.00 0.00 O ATOM 0 H TYR A 73 4.333 0.038 2.543 1.00 0.00 H new ATOM 0 HA TYR A 73 7.090 1.114 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.419 0.213 0.271 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.858 1.201 0.112 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.594 -2.150 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.082 0.247 0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.983 -4.174 0.985 1.00 0.00 H new ATOM 0 HE2 TYR A 73 10.474 -1.775 0.490 1.00 0.00 H new ATOM 0 HH TYR A 73 10.534 -3.978 0.647 1.00 0.00 H new ATOM 1106 N ARG A 74 5.896 3.299 2.923 1.00 0.00 N ATOM 1107 CA ARG A 74 5.376 4.661 2.927 1.00 0.00 C ATOM 1108 C ARG A 74 5.569 5.320 1.564 1.00 0.00 C ATOM 1109 O ARG A 74 6.675 5.339 1.024 1.00 0.00 O ATOM 1110 CB ARG A 74 6.068 5.491 4.009 1.00 0.00 C ATOM 1111 CG ARG A 74 5.344 5.474 5.346 1.00 0.00 C ATOM 1112 CD ARG A 74 5.666 6.712 6.169 1.00 0.00 C ATOM 1113 NE ARG A 74 5.596 6.448 7.604 1.00 0.00 N ATOM 1114 CZ ARG A 74 6.205 7.194 8.519 1.00 0.00 C ATOM 1115 NH1 ARG A 74 6.925 8.244 8.150 1.00 0.00 N ATOM 1116 NH2 ARG A 74 6.094 6.889 9.806 1.00 0.00 N ATOM 0 H ARG A 74 6.564 3.100 3.668 1.00 0.00 H new ATOM 0 HA ARG A 74 4.308 4.615 3.142 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.082 5.116 4.150 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.154 6.522 3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.269 5.417 5.178 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.627 4.581 5.903 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.664 7.067 5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.969 7.509 5.913 1.00 0.00 H new ATOM 0 HE ARG A 74 5.050 5.647 7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.012 8.481 7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.392 8.815 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.541 6.081 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.562 7.462 10.508 1.00 0.00 H new ATOM 1130 N ILE A 75 4.485 5.858 1.014 1.00 0.00 N ATOM 1131 CA ILE A 75 4.536 6.518 -0.284 1.00 0.00 C ATOM 1132 C ILE A 75 4.572 8.035 -0.130 1.00 0.00 C ATOM 1133 O ILE A 75 3.542 8.703 -0.218 1.00 0.00 O ATOM 1134 CB ILE A 75 3.329 6.131 -1.160 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.319 4.622 -1.414 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.362 6.895 -2.475 1.00 0.00 C ATOM 1137 CD1 ILE A 75 2.021 4.118 -2.006 1.00 0.00 C ATOM 0 H ILE A 75 3.562 5.849 1.447 1.00 0.00 H new ATOM 0 HA ILE A 75 5.452 6.183 -0.772 1.00 0.00 H new ATOM 0 HB ILE A 75 2.414 6.398 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.138 4.369 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.507 4.102 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.503 6.611 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.326 7.966 -2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.281 6.657 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.085 3.041 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.200 4.339 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.842 4.611 -2.962 1.00 0.00 H new ATOM 1149 N PHE A 76 5.765 8.572 0.100 1.00 0.00 N ATOM 1150 CA PHE A 76 5.936 10.011 0.267 1.00 0.00 C ATOM 1151 C PHE A 76 5.554 10.755 -1.009 1.00 0.00 C ATOM 1152 O PHE A 76 5.392 10.149 -2.068 1.00 0.00 O ATOM 1153 CB PHE A 76 7.383 10.333 0.645 1.00 0.00 C ATOM 1154 CG PHE A 76 7.890 9.537 1.813 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.571 9.905 3.110 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.685 8.419 1.613 1.00 0.00 C ATOM 1157 CE1 PHE A 76 8.035 9.174 4.187 1.00 0.00 C ATOM 1158 CE2 PHE A 76 9.151 7.684 2.686 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.827 8.062 3.975 1.00 0.00 C ATOM 0 H PHE A 76 6.628 8.033 0.175 1.00 0.00 H new ATOM 0 HA PHE A 76 5.276 10.340 1.070 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.025 10.148 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.461 11.395 0.878 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.952 10.773 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.943 8.119 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.779 9.472 5.193 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.768 6.814 2.517 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.192 7.489 4.815 1.00 0.00 H new ATOM 1169 N GLU A 77 5.411 12.072 -0.899 1.00 0.00 N ATOM 1170 CA GLU A 77 5.046 12.899 -2.043 1.00 0.00 C ATOM 1171 C GLU A 77 6.013 14.069 -2.199 1.00 0.00 C ATOM 1172 O GLU A 77 6.284 14.798 -1.244 1.00 0.00 O ATOM 1173 CB GLU A 77 3.616 13.422 -1.888 1.00 0.00 C ATOM 1174 CG GLU A 77 2.981 13.853 -3.199 1.00 0.00 C ATOM 1175 CD GLU A 77 3.217 15.319 -3.507 1.00 0.00 C ATOM 1176 OE1 GLU A 77 4.267 15.640 -4.101 1.00 0.00 O ATOM 1177 OE2 GLU A 77 2.350 16.146 -3.153 1.00 0.00 O ATOM 0 H GLU A 77 5.542 12.589 -0.030 1.00 0.00 H new ATOM 0 HA GLU A 77 5.103 12.280 -2.939 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.001 12.645 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.620 14.268 -1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.383 13.246 -4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.909 13.662 -3.159 1.00 0.00 H new ATOM 1184 N LYS A 78 6.531 14.243 -3.410 1.00 0.00 N ATOM 1185 CA LYS A 78 7.467 15.325 -3.694 1.00 0.00 C ATOM 1186 C LYS A 78 7.458 15.677 -5.178 1.00 0.00 C ATOM 1187 O LYS A 78 7.632 14.809 -6.033 1.00 0.00 O ATOM 1188 CB LYS A 78 8.881 14.929 -3.262 1.00 0.00 C ATOM 1189 CG LYS A 78 9.970 15.780 -3.892 1.00 0.00 C ATOM 1190 CD LYS A 78 11.354 15.322 -3.464 1.00 0.00 C ATOM 1191 CE LYS A 78 11.728 15.879 -2.099 1.00 0.00 C ATOM 1192 NZ LYS A 78 13.201 15.870 -1.880 1.00 0.00 N ATOM 0 H LYS A 78 6.319 13.648 -4.211 1.00 0.00 H new ATOM 0 HA LYS A 78 7.152 16.202 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.955 15.004 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.052 13.884 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.889 15.730 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.827 16.823 -3.609 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.385 14.233 -3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.089 15.642 -4.203 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.354 16.899 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.242 15.290 -1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.414 16.257 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.555 14.894 -1.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.664 16.452 -2.607 1.00 0.00 H new ATOM 1206 N ASP A 79 7.254 16.956 -5.476 1.00 0.00 N ATOM 1207 CA ASP A 79 7.224 17.424 -6.857 1.00 0.00 C ATOM 1208 C ASP A 79 6.170 16.671 -7.663 1.00 0.00 C ATOM 1209 O ASP A 79 6.353 16.408 -8.852 1.00 0.00 O ATOM 1210 CB ASP A 79 8.598 17.252 -7.506 1.00 0.00 C ATOM 1211 CG ASP A 79 9.482 18.469 -7.321 1.00 0.00 C ATOM 1212 OD1 ASP A 79 8.936 19.580 -7.155 1.00 0.00 O ATOM 1213 OD2 ASP A 79 10.721 18.312 -7.340 1.00 0.00 O ATOM 0 H ASP A 79 7.107 17.687 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 79 6.963 18.482 -6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.092 16.379 -7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.472 17.057 -8.571 1.00 0.00 H new ATOM 1218 N SER A 80 5.066 16.327 -7.008 1.00 0.00 N ATOM 1219 CA SER A 80 3.984 15.600 -7.662 1.00 0.00 C ATOM 1220 C SER A 80 4.461 14.234 -8.145 1.00 0.00 C ATOM 1221 O SER A 80 4.006 13.732 -9.173 1.00 0.00 O ATOM 1222 CB SER A 80 3.438 16.408 -8.841 1.00 0.00 C ATOM 1223 OG SER A 80 2.290 15.789 -9.395 1.00 0.00 O ATOM 0 H SER A 80 4.897 16.540 -6.025 1.00 0.00 H new ATOM 0 HA SER A 80 3.188 15.450 -6.933 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.188 17.416 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.208 16.506 -9.607 1.00 0.00 H new ATOM 0 HG SER A 80 2.475 14.840 -9.555 1.00 0.00 H new ATOM 1229 N LYS A 81 5.382 13.637 -7.396 1.00 0.00 N ATOM 1230 CA LYS A 81 5.922 12.328 -7.745 1.00 0.00 C ATOM 1231 C LYS A 81 6.058 11.448 -6.506 1.00 0.00 C ATOM 1232 O LYS A 81 6.826 11.756 -5.594 1.00 0.00 O ATOM 1233 CB LYS A 81 7.284 12.481 -8.426 1.00 0.00 C ATOM 1234 CG LYS A 81 7.283 13.478 -9.572 1.00 0.00 C ATOM 1235 CD LYS A 81 8.305 13.109 -10.634 1.00 0.00 C ATOM 1236 CE LYS A 81 8.721 14.322 -11.452 1.00 0.00 C ATOM 1237 NZ LYS A 81 9.303 15.394 -10.598 1.00 0.00 N ATOM 0 H LYS A 81 5.770 14.039 -6.543 1.00 0.00 H new ATOM 0 HA LYS A 81 5.228 11.849 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.019 12.794 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.604 11.509 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.290 13.518 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.500 14.475 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.183 12.671 -10.159 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.887 12.349 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.451 14.020 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.856 14.713 -11.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.632 16.185 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.492 15.016 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.192 15.730 -11.020 1.00 0.00 H new ATOM 1251 N PHE A 82 5.308 10.351 -6.481 1.00 0.00 N ATOM 1252 CA PHE A 82 5.345 9.426 -5.355 1.00 0.00 C ATOM 1253 C PHE A 82 6.712 8.758 -5.244 1.00 0.00 C ATOM 1254 O PHE A 82 7.250 8.251 -6.230 1.00 0.00 O ATOM 1255 CB PHE A 82 4.256 8.362 -5.506 1.00 0.00 C ATOM 1256 CG PHE A 82 2.931 8.918 -5.945 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.216 9.771 -5.120 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.402 8.588 -7.182 1.00 0.00 C ATOM 1259 CE1 PHE A 82 0.996 10.283 -5.521 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.184 9.098 -7.589 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.480 9.947 -6.757 1.00 0.00 C ATOM 0 H PHE A 82 4.668 10.081 -7.228 1.00 0.00 H new ATOM 0 HA PHE A 82 5.164 9.995 -4.443 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.586 7.616 -6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.128 7.847 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.616 10.039 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.948 7.924 -7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.447 10.945 -4.868 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.783 8.833 -8.556 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.472 10.347 -7.073 1.00 0.00 H new ATOM 1271 N TYR A 83 7.270 8.761 -4.039 1.00 0.00 N ATOM 1272 CA TYR A 83 8.576 8.159 -3.799 1.00 0.00 C ATOM 1273 C TYR A 83 8.619 7.477 -2.434 1.00 0.00 C ATOM 1274 O TYR A 83 7.805 7.766 -1.557 1.00 0.00 O ATOM 1275 CB TYR A 83 9.674 9.220 -3.886 1.00 0.00 C ATOM 1276 CG TYR A 83 9.755 10.110 -2.667 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.470 9.718 -1.542 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.114 11.343 -2.639 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.546 10.528 -0.425 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.186 12.160 -1.527 1.00 0.00 C ATOM 1281 CZ TYR A 83 9.902 11.748 -0.423 1.00 0.00 C ATOM 1282 OH TYR A 83 9.975 12.558 0.687 1.00 0.00 O ATOM 0 H TYR A 83 6.838 9.174 -3.212 1.00 0.00 H new ATOM 0 HA TYR A 83 8.747 7.405 -4.567 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.635 8.725 -4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.500 9.839 -4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 83 10.975 8.763 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.550 11.668 -3.501 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.106 10.208 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 83 8.684 13.116 -1.523 1.00 0.00 H new ATOM 0 HH TYR A 83 9.468 13.381 0.525 1.00 0.00 H new ATOM 1292 N LEU A 84 9.575 6.571 -2.263 1.00 0.00 N ATOM 1293 CA LEU A 84 9.727 5.847 -1.006 1.00 0.00 C ATOM 1294 C LEU A 84 11.099 6.107 -0.391 1.00 0.00 C ATOM 1295 O LEU A 84 11.245 6.141 0.831 1.00 0.00 O ATOM 1296 CB LEU A 84 9.532 4.347 -1.231 1.00 0.00 C ATOM 1297 CG LEU A 84 8.432 3.954 -2.217 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.288 2.441 -2.281 1.00 0.00 C ATOM 1299 CD2 LEU A 84 7.111 4.601 -1.827 1.00 0.00 C ATOM 0 H LEU A 84 10.257 6.320 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 84 8.965 6.206 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.474 3.927 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.314 3.881 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 84 8.712 4.314 -3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.500 2.180 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.230 1.999 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.031 2.058 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.339 4.310 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.825 4.271 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.221 5.685 -1.833 1.00 0.00 H new ATOM 1311 N GLU A 85 12.100 6.291 -1.245 1.00 0.00 N ATOM 1312 CA GLU A 85 13.459 6.549 -0.785 1.00 0.00 C ATOM 1313 C GLU A 85 13.673 8.038 -0.526 1.00 0.00 C ATOM 1314 O GLU A 85 13.893 8.456 0.610 1.00 0.00 O ATOM 1315 CB GLU A 85 14.474 6.049 -1.815 1.00 0.00 C ATOM 1316 CG GLU A 85 14.092 4.723 -2.451 1.00 0.00 C ATOM 1317 CD GLU A 85 14.614 3.530 -1.672 1.00 0.00 C ATOM 1318 OE1 GLU A 85 14.850 3.676 -0.455 1.00 0.00 O ATOM 1319 OE2 GLU A 85 14.785 2.453 -2.280 1.00 0.00 O ATOM 0 H GLU A 85 11.996 6.266 -2.259 1.00 0.00 H new ATOM 0 HA GLU A 85 13.606 6.010 0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 85 14.585 6.799 -2.598 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.446 5.945 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.006 4.658 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.482 4.687 -3.468 1.00 0.00 H new ATOM 1326 N GLY A 86 13.606 8.833 -1.589 1.00 0.00 N ATOM 1327 CA GLY A 86 13.794 10.266 -1.457 1.00 0.00 C ATOM 1328 C GLY A 86 14.303 10.904 -2.734 1.00 0.00 C ATOM 1329 O GLY A 86 13.990 12.058 -3.026 1.00 0.00 O ATOM 0 H GLY A 86 13.425 8.510 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.848 10.729 -1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.499 10.464 -0.650 1.00 0.00 H new ATOM 1333 N GLU A 87 15.091 10.152 -3.497 1.00 0.00 N ATOM 1334 CA GLU A 87 15.646 10.653 -4.749 1.00 0.00 C ATOM 1335 C GLU A 87 14.984 9.978 -5.946 1.00 0.00 C ATOM 1336 O GLU A 87 15.027 10.491 -7.065 1.00 0.00 O ATOM 1337 CB GLU A 87 17.158 10.423 -4.791 1.00 0.00 C ATOM 1338 CG GLU A 87 17.554 8.961 -4.672 1.00 0.00 C ATOM 1339 CD GLU A 87 19.053 8.753 -4.764 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.577 8.700 -5.897 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.703 8.645 -3.703 1.00 0.00 O ATOM 0 H GLU A 87 15.359 9.194 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 87 15.447 11.723 -4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.552 10.823 -5.725 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.625 10.984 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.194 8.567 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.063 8.390 -5.460 1.00 0.00 H new ATOM 1348 N VAL A 88 14.372 8.823 -5.704 1.00 0.00 N ATOM 1349 CA VAL A 88 13.701 8.076 -6.761 1.00 0.00 C ATOM 1350 C VAL A 88 12.186 8.175 -6.626 1.00 0.00 C ATOM 1351 O VAL A 88 11.574 7.464 -5.828 1.00 0.00 O ATOM 1352 CB VAL A 88 14.111 6.591 -6.746 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.363 5.820 -7.824 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.615 6.452 -6.927 1.00 0.00 C ATOM 0 H VAL A 88 14.327 8.384 -4.784 1.00 0.00 H new ATOM 0 HA VAL A 88 14.009 8.520 -7.708 1.00 0.00 H new ATOM 0 HB VAL A 88 13.844 6.168 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.665 4.773 -7.799 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.290 5.892 -7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 88 13.597 6.242 -8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.887 5.397 -6.914 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.909 6.891 -7.881 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.128 6.969 -6.116 1.00 0.00 H new ATOM 1364 N LEU A 89 11.584 9.061 -7.412 1.00 0.00 N ATOM 1365 CA LEU A 89 10.138 9.254 -7.382 1.00 0.00 C ATOM 1366 C LEU A 89 9.505 8.828 -8.702 1.00 0.00 C ATOM 1367 O LEU A 89 10.196 8.387 -9.621 1.00 0.00 O ATOM 1368 CB LEU A 89 9.805 10.718 -7.092 1.00 0.00 C ATOM 1369 CG LEU A 89 10.802 11.471 -6.210 1.00 0.00 C ATOM 1370 CD1 LEU A 89 11.876 12.130 -7.062 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.084 12.508 -5.358 1.00 0.00 C ATOM 0 H LEU A 89 12.075 9.657 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 89 9.729 8.631 -6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.720 11.246 -8.042 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.825 10.760 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 89 11.283 10.754 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.577 12.661 -6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.410 11.367 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.412 12.835 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.809 13.034 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.575 13.222 -6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.353 12.012 -4.720 1.00 0.00 H new ATOM 1383 N PHE A 90 8.186 8.965 -8.791 1.00 0.00 N ATOM 1384 CA PHE A 90 7.458 8.596 -10.000 1.00 0.00 C ATOM 1385 C PHE A 90 6.254 9.510 -10.211 1.00 0.00 C ATOM 1386 O PHE A 90 5.333 9.539 -9.395 1.00 0.00 O ATOM 1387 CB PHE A 90 6.999 7.139 -9.919 1.00 0.00 C ATOM 1388 CG PHE A 90 8.131 6.160 -9.787 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.599 5.788 -8.537 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.725 5.612 -10.912 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.641 4.889 -8.412 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.767 4.711 -10.793 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.225 4.348 -9.542 1.00 0.00 C ATOM 0 H PHE A 90 7.599 9.329 -8.040 1.00 0.00 H new ATOM 0 HA PHE A 90 8.132 8.711 -10.849 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.329 7.024 -9.067 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.423 6.898 -10.812 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.144 6.205 -7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.370 5.892 -11.893 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.999 4.609 -7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.222 4.291 -11.678 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.038 3.643 -9.447 1.00 0.00 H new ATOM 1403 N VAL A 91 6.270 10.256 -11.311 1.00 0.00 N ATOM 1404 CA VAL A 91 5.181 11.170 -11.630 1.00 0.00 C ATOM 1405 C VAL A 91 3.832 10.577 -11.237 1.00 0.00 C ATOM 1406 O VAL A 91 2.930 11.294 -10.805 1.00 0.00 O ATOM 1407 CB VAL A 91 5.160 11.516 -13.131 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.467 10.417 -13.922 1.00 0.00 C ATOM 1409 CG2 VAL A 91 4.480 12.857 -13.359 1.00 0.00 C ATOM 0 H VAL A 91 7.026 10.245 -11.996 1.00 0.00 H new ATOM 0 HA VAL A 91 5.355 12.081 -11.057 1.00 0.00 H new ATOM 0 HB VAL A 91 6.189 11.592 -13.483 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.462 10.678 -14.980 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.001 9.477 -13.783 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.441 10.307 -13.570 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.474 13.085 -14.425 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.455 12.812 -12.992 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.023 13.636 -12.824 1.00 0.00 H new ATOM 1419 N SER A 92 3.703 9.263 -11.390 1.00 0.00 N ATOM 1420 CA SER A 92 2.463 8.573 -11.054 1.00 0.00 C ATOM 1421 C SER A 92 2.740 7.135 -10.628 1.00 0.00 C ATOM 1422 O SER A 92 3.693 6.510 -11.093 1.00 0.00 O ATOM 1423 CB SER A 92 1.507 8.588 -12.249 1.00 0.00 C ATOM 1424 OG SER A 92 1.368 9.896 -12.775 1.00 0.00 O ATOM 0 H SER A 92 4.442 8.655 -11.744 1.00 0.00 H new ATOM 0 HA SER A 92 1.998 9.098 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.879 7.919 -13.025 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.531 8.210 -11.943 1.00 0.00 H new ATOM 0 HG SER A 92 0.754 9.878 -13.538 1.00 0.00 H new ATOM 1430 N VAL A 93 1.900 6.615 -9.738 1.00 0.00 N ATOM 1431 CA VAL A 93 2.052 5.251 -9.249 1.00 0.00 C ATOM 1432 C VAL A 93 2.336 4.285 -10.393 1.00 0.00 C ATOM 1433 O VAL A 93 3.305 3.527 -10.355 1.00 0.00 O ATOM 1434 CB VAL A 93 0.794 4.781 -8.495 1.00 0.00 C ATOM 1435 CG1 VAL A 93 0.969 3.354 -8.000 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.483 5.721 -7.340 1.00 0.00 C ATOM 0 H VAL A 93 1.107 7.119 -9.341 1.00 0.00 H new ATOM 0 HA VAL A 93 2.898 5.254 -8.562 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.050 4.799 -9.185 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.070 3.040 -7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.139 2.693 -8.849 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.824 3.305 -7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.409 5.374 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.325 5.738 -6.648 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.310 6.726 -7.725 1.00 0.00 H new ATOM 1446 N GLY A 94 1.484 4.317 -11.413 1.00 0.00 N ATOM 1447 CA GLY A 94 1.660 3.440 -12.556 1.00 0.00 C ATOM 1448 C GLY A 94 3.121 3.205 -12.886 1.00 0.00 C ATOM 1449 O GLY A 94 3.618 2.084 -12.773 1.00 0.00 O ATOM 0 H GLY A 94 0.674 4.935 -11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.178 2.484 -12.354 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.160 3.872 -13.423 1.00 0.00 H new ATOM 1453 N SER A 95 3.811 4.264 -13.298 1.00 0.00 N ATOM 1454 CA SER A 95 5.222 4.167 -13.651 1.00 0.00 C ATOM 1455 C SER A 95 6.015 3.484 -12.541 1.00 0.00 C ATOM 1456 O SER A 95 6.783 2.556 -12.793 1.00 0.00 O ATOM 1457 CB SER A 95 5.799 5.558 -13.922 1.00 0.00 C ATOM 1458 OG SER A 95 5.677 5.902 -15.292 1.00 0.00 O ATOM 0 H SER A 95 3.415 5.199 -13.395 1.00 0.00 H new ATOM 0 HA SER A 95 5.303 3.564 -14.556 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.280 6.296 -13.311 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.849 5.583 -13.629 1.00 0.00 H new ATOM 0 HG SER A 95 6.051 6.796 -15.439 1.00 0.00 H new ATOM 1464 N MET A 96 5.821 3.950 -11.311 1.00 0.00 N ATOM 1465 CA MET A 96 6.516 3.383 -10.161 1.00 0.00 C ATOM 1466 C MET A 96 6.388 1.863 -10.143 1.00 0.00 C ATOM 1467 O MET A 96 7.385 1.147 -10.058 1.00 0.00 O ATOM 1468 CB MET A 96 5.960 3.969 -8.862 1.00 0.00 C ATOM 1469 CG MET A 96 6.691 3.492 -7.618 1.00 0.00 C ATOM 1470 SD MET A 96 6.160 4.354 -6.126 1.00 0.00 S ATOM 1471 CE MET A 96 4.495 3.719 -5.943 1.00 0.00 C ATOM 0 H MET A 96 5.189 4.718 -11.085 1.00 0.00 H new ATOM 0 HA MET A 96 7.572 3.640 -10.244 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.015 5.057 -8.911 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.906 3.707 -8.777 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.526 2.422 -7.493 1.00 0.00 H new ATOM 0 HG3 MET A 96 7.763 3.636 -7.754 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.175 3.829 -4.907 1.00 0.00 H new ATOM 0 HE2 MET A 96 3.820 4.276 -6.592 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.475 2.665 -6.219 1.00 0.00 H new ATOM 1481 N VAL A 97 5.153 1.377 -10.224 1.00 0.00 N ATOM 1482 CA VAL A 97 4.895 -0.058 -10.217 1.00 0.00 C ATOM 1483 C VAL A 97 5.728 -0.771 -11.276 1.00 0.00 C ATOM 1484 O VAL A 97 6.371 -1.782 -10.996 1.00 0.00 O ATOM 1485 CB VAL A 97 3.405 -0.361 -10.462 1.00 0.00 C ATOM 1486 CG1 VAL A 97 3.138 -1.854 -10.352 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.536 0.417 -9.485 1.00 0.00 C ATOM 0 H VAL A 97 4.316 1.956 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 97 5.176 -0.426 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 97 3.149 -0.044 -11.473 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.080 -2.048 -10.528 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.733 -2.386 -11.094 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.409 -2.200 -9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.486 0.191 -9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.792 0.133 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.706 1.485 -9.618 1.00 0.00 H new ATOM 1497 N GLU A 98 5.710 -0.237 -12.494 1.00 0.00 N ATOM 1498 CA GLU A 98 6.464 -0.824 -13.595 1.00 0.00 C ATOM 1499 C GLU A 98 7.958 -0.841 -13.284 1.00 0.00 C ATOM 1500 O GLU A 98 8.680 -1.749 -13.699 1.00 0.00 O ATOM 1501 CB GLU A 98 6.211 -0.045 -14.888 1.00 0.00 C ATOM 1502 CG GLU A 98 4.801 0.512 -14.996 1.00 0.00 C ATOM 1503 CD GLU A 98 4.324 0.616 -16.432 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.652 -0.284 -17.234 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.622 1.597 -16.753 1.00 0.00 O ATOM 0 H GLU A 98 5.182 0.600 -12.742 1.00 0.00 H new ATOM 0 HA GLU A 98 6.126 -1.852 -13.725 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.924 0.777 -14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.401 -0.699 -15.739 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.118 -0.126 -14.435 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.767 1.498 -14.533 1.00 0.00 H new ATOM 1512 N HIS A 99 8.415 0.168 -12.550 1.00 0.00 N ATOM 1513 CA HIS A 99 9.823 0.270 -12.182 1.00 0.00 C ATOM 1514 C HIS A 99 10.211 -0.838 -11.208 1.00 0.00 C ATOM 1515 O HIS A 99 11.260 -1.466 -11.353 1.00 0.00 O ATOM 1516 CB HIS A 99 10.112 1.637 -11.560 1.00 0.00 C ATOM 1517 CG HIS A 99 11.403 1.689 -10.802 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.685 1.390 -9.513 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.594 2.089 -11.371 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 13.027 1.611 -9.328 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.553 2.032 -10.464 1.00 0.00 N flip ATOM 0 H HIS A 99 7.831 0.927 -12.198 1.00 0.00 H new ATOM 0 HA HIS A 99 10.419 0.159 -13.088 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.133 2.389 -12.349 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.295 1.902 -10.889 1.00 0.00 H new ATOM 0 HD1 HIS A 99 11.023 1.061 -8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.723 2.400 -12.397 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.566 1.464 -8.403 1.00 0.00 H new ATOM 1530 N TYR A 100 9.360 -1.071 -10.215 1.00 0.00 N ATOM 1531 CA TYR A 100 9.615 -2.101 -9.215 1.00 0.00 C ATOM 1532 C TYR A 100 9.548 -3.493 -9.837 1.00 0.00 C ATOM 1533 O TYR A 100 10.315 -4.385 -9.474 1.00 0.00 O ATOM 1534 CB TYR A 100 8.606 -1.992 -8.071 1.00 0.00 C ATOM 1535 CG TYR A 100 8.776 -0.747 -7.230 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.040 -0.296 -6.870 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.674 -0.023 -6.794 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.201 0.841 -6.101 1.00 0.00 C ATOM 1539 CE2 TYR A 100 7.825 1.115 -6.026 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.090 1.543 -5.682 1.00 0.00 C ATOM 1541 OH TYR A 100 9.245 2.676 -4.916 1.00 0.00 O ATOM 0 H TYR A 100 8.487 -0.560 -10.081 1.00 0.00 H new ATOM 0 HA TYR A 100 10.619 -1.947 -8.820 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.598 -2.006 -8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.700 -2.869 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 100 10.912 -0.843 -7.197 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.682 -0.356 -7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.191 1.178 -5.830 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.957 1.667 -5.697 1.00 0.00 H new ATOM 0 HH TYR A 100 8.720 3.407 -5.304 1.00 0.00 H new ATOM 1551 N HIS A 101 8.625 -3.670 -10.776 1.00 0.00 N ATOM 1552 CA HIS A 101 8.457 -4.952 -11.451 1.00 0.00 C ATOM 1553 C HIS A 101 9.807 -5.621 -11.691 1.00 0.00 C ATOM 1554 O HIS A 101 9.913 -6.848 -11.698 1.00 0.00 O ATOM 1555 CB HIS A 101 7.725 -4.762 -12.780 1.00 0.00 C ATOM 1556 CG HIS A 101 6.236 -4.873 -12.665 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.418 -5.162 -13.737 1.00 0.00 N ATOM 1558 CD2 HIS A 101 5.418 -4.735 -11.596 1.00 0.00 C ATOM 1559 CE1 HIS A 101 4.161 -5.195 -13.332 1.00 0.00 C ATOM 1560 NE2 HIS A 101 4.134 -4.939 -12.037 1.00 0.00 N ATOM 0 H HIS A 101 7.982 -2.942 -11.087 1.00 0.00 H new ATOM 0 HA HIS A 101 7.861 -5.598 -10.806 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.978 -3.783 -13.188 1.00 0.00 H new ATOM 0 HB3 HIS A 101 8.083 -5.506 -13.492 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.719 -4.507 -10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.302 -5.397 -13.954 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.295 -4.899 -11.458 1.00 0.00 H new ATOM 1569 N THR A 102 10.839 -4.806 -11.890 1.00 0.00 N ATOM 1570 CA THR A 102 12.182 -5.317 -12.133 1.00 0.00 C ATOM 1571 C THR A 102 13.113 -4.990 -10.971 1.00 0.00 C ATOM 1572 O THR A 102 14.071 -5.718 -10.706 1.00 0.00 O ATOM 1573 CB THR A 102 12.776 -4.741 -13.431 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.942 -3.324 -13.307 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.879 -5.049 -14.621 1.00 0.00 C ATOM 0 H THR A 102 10.770 -3.788 -11.888 1.00 0.00 H new ATOM 0 HA THR A 102 12.096 -6.399 -12.232 1.00 0.00 H new ATOM 0 HB THR A 102 13.747 -5.207 -13.598 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.322 -2.965 -14.136 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.320 -4.632 -15.526 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.778 -6.129 -14.731 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.896 -4.607 -14.459 1.00 0.00 H new ATOM 1583 N HIS A 103 12.827 -3.891 -10.281 1.00 0.00 N ATOM 1584 CA HIS A 103 13.640 -3.467 -9.146 1.00 0.00 C ATOM 1585 C HIS A 103 12.954 -3.813 -7.828 1.00 0.00 C ATOM 1586 O HIS A 103 12.164 -3.028 -7.302 1.00 0.00 O ATOM 1587 CB HIS A 103 13.907 -1.964 -9.216 1.00 0.00 C ATOM 1588 CG HIS A 103 15.110 -1.607 -10.034 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.894 -0.502 -9.778 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.663 -2.217 -11.109 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.876 -0.447 -10.660 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.758 -1.477 -11.479 1.00 0.00 N ATOM 0 H HIS A 103 12.039 -3.278 -10.488 1.00 0.00 H new ATOM 0 HA HIS A 103 14.590 -3.999 -9.192 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.032 -1.467 -9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.038 -1.579 -8.205 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.308 -3.118 -11.587 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.644 0.311 -10.704 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.380 -1.688 -12.260 1.00 0.00 H new ATOM 1601 N VAL A 104 13.260 -4.994 -7.299 1.00 0.00 N ATOM 1602 CA VAL A 104 12.673 -5.444 -6.042 1.00 0.00 C ATOM 1603 C VAL A 104 12.598 -4.304 -5.032 1.00 0.00 C ATOM 1604 O VAL A 104 13.470 -3.436 -4.993 1.00 0.00 O ATOM 1605 CB VAL A 104 13.479 -6.605 -5.430 1.00 0.00 C ATOM 1606 CG1 VAL A 104 14.972 -6.336 -5.543 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.077 -6.827 -3.980 1.00 0.00 C ATOM 0 H VAL A 104 13.911 -5.656 -7.721 1.00 0.00 H new ATOM 0 HA VAL A 104 11.665 -5.792 -6.269 1.00 0.00 H new ATOM 0 HB VAL A 104 13.254 -7.514 -5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 104 15.526 -7.167 -5.105 1.00 0.00 H new ATOM 0 HG12 VAL A 104 15.244 -6.232 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 104 15.217 -5.417 -5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 104 13.657 -7.651 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 104 13.271 -5.921 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 104 12.015 -7.068 -3.930 1.00 0.00 H new ATOM 1617 N LEU A 105 11.550 -4.314 -4.215 1.00 0.00 N ATOM 1618 CA LEU A 105 11.360 -3.281 -3.203 1.00 0.00 C ATOM 1619 C LEU A 105 12.422 -3.384 -2.113 1.00 0.00 C ATOM 1620 O LEU A 105 12.998 -4.445 -1.872 1.00 0.00 O ATOM 1621 CB LEU A 105 9.966 -3.396 -2.584 1.00 0.00 C ATOM 1622 CG LEU A 105 8.819 -3.669 -3.558 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.607 -4.211 -2.818 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.457 -2.404 -4.324 1.00 0.00 C ATOM 0 H LEU A 105 10.819 -5.026 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 105 11.457 -2.310 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.984 -4.195 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.750 -2.471 -2.050 1.00 0.00 H new ATOM 0 HG LEU A 105 9.148 -4.422 -4.274 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.801 -4.399 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.873 -5.141 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.276 -3.482 -2.078 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.639 -2.617 -5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.148 -1.629 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.324 -2.059 -4.887 1.00 0.00 H new ATOM 1636 N PRO A 106 12.688 -2.257 -1.437 1.00 0.00 N ATOM 1637 CA PRO A 106 13.681 -2.195 -0.360 1.00 0.00 C ATOM 1638 C PRO A 106 13.233 -2.953 0.885 1.00 0.00 C ATOM 1639 O PRO A 106 12.042 -3.202 1.077 1.00 0.00 O ATOM 1640 CB PRO A 106 13.791 -0.697 -0.064 1.00 0.00 C ATOM 1641 CG PRO A 106 12.483 -0.129 -0.495 1.00 0.00 C ATOM 1642 CD PRO A 106 12.040 -0.955 -1.671 1.00 0.00 C ATOM 0 HA PRO A 106 14.625 -2.656 -0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.972 -0.515 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.618 -0.245 -0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.752 -0.176 0.312 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.585 0.920 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.955 -1.048 -1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 106 12.357 -0.512 -2.615 1.00 0.00 H new ATOM 1650 N SER A 107 14.193 -3.316 1.729 1.00 0.00 N ATOM 1651 CA SER A 107 13.897 -4.049 2.955 1.00 0.00 C ATOM 1652 C SER A 107 13.528 -5.497 2.647 1.00 0.00 C ATOM 1653 O SER A 107 12.825 -6.148 3.420 1.00 0.00 O ATOM 1654 CB SER A 107 12.757 -3.370 3.716 1.00 0.00 C ATOM 1655 OG SER A 107 12.817 -3.672 5.100 1.00 0.00 O ATOM 0 H SER A 107 15.183 -3.115 1.587 1.00 0.00 H new ATOM 0 HA SER A 107 14.792 -4.046 3.577 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.812 -2.291 3.573 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.799 -3.697 3.310 1.00 0.00 H new ATOM 0 HG SER A 107 12.864 -4.643 5.221 1.00 0.00 H new ATOM 1661 N HIS A 108 14.007 -5.994 1.511 1.00 0.00 N ATOM 1662 CA HIS A 108 13.728 -7.365 1.099 1.00 0.00 C ATOM 1663 C HIS A 108 14.818 -7.885 0.167 1.00 0.00 C ATOM 1664 O HIS A 108 15.817 -7.207 -0.073 1.00 0.00 O ATOM 1665 CB HIS A 108 12.367 -7.446 0.407 1.00 0.00 C ATOM 1666 CG HIS A 108 11.613 -8.703 0.712 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.682 -9.832 -0.076 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.772 -9.006 1.729 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.914 -10.775 0.441 1.00 0.00 C ATOM 1670 NE2 HIS A 108 10.351 -10.299 1.537 1.00 0.00 N ATOM 0 H HIS A 108 14.590 -5.468 0.860 1.00 0.00 H new ATOM 0 HA HIS A 108 13.710 -7.990 1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.764 -6.589 0.708 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.512 -7.372 -0.671 1.00 0.00 H new ATOM 0 HD1 HIS A 108 12.239 -9.925 -0.925 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.486 -8.353 2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.771 -11.766 0.036 1.00 0.00 H new ATOM 1679 N GLN A 109 14.619 -9.091 -0.355 1.00 0.00 N ATOM 1680 CA GLN A 109 15.586 -9.701 -1.259 1.00 0.00 C ATOM 1681 C GLN A 109 15.002 -9.852 -2.660 1.00 0.00 C ATOM 1682 O GLN A 109 15.551 -9.333 -3.631 1.00 0.00 O ATOM 1683 CB GLN A 109 16.024 -11.066 -0.727 1.00 0.00 C ATOM 1684 CG GLN A 109 14.867 -12.020 -0.472 1.00 0.00 C ATOM 1685 CD GLN A 109 15.182 -13.047 0.597 1.00 0.00 C ATOM 1686 OE1 GLN A 109 16.305 -13.546 0.684 1.00 0.00 O ATOM 1687 NE2 GLN A 109 14.190 -13.370 1.419 1.00 0.00 N ATOM 0 H GLN A 109 13.797 -9.665 -0.167 1.00 0.00 H new ATOM 0 HA GLN A 109 16.455 -9.045 -1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.709 -11.522 -1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.578 -10.924 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 109 13.989 -11.448 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.613 -12.533 -1.400 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.275 -12.932 1.311 1.00 0.00 H new ATOM 0 HE22 GLN A 109 14.343 -14.056 2.158 1.00 0.00 H new ATOM 1696 N SER A 110 13.885 -10.567 -2.756 1.00 0.00 N ATOM 1697 CA SER A 110 13.228 -10.790 -4.039 1.00 0.00 C ATOM 1698 C SER A 110 11.722 -10.578 -3.922 1.00 0.00 C ATOM 1699 O SER A 110 10.932 -11.472 -4.228 1.00 0.00 O ATOM 1700 CB SER A 110 13.519 -12.204 -4.545 1.00 0.00 C ATOM 1701 OG SER A 110 12.925 -12.423 -5.813 1.00 0.00 O ATOM 0 H SER A 110 13.416 -11.001 -1.961 1.00 0.00 H new ATOM 0 HA SER A 110 13.624 -10.068 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 110 14.596 -12.355 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 110 13.140 -12.935 -3.831 1.00 0.00 H new ATOM 0 HG SER A 110 11.953 -12.318 -5.742 1.00 0.00 H new ATOM 1707 N LEU A 111 11.331 -9.390 -3.476 1.00 0.00 N ATOM 1708 CA LEU A 111 9.919 -9.059 -3.317 1.00 0.00 C ATOM 1709 C LEU A 111 9.484 -8.021 -4.347 1.00 0.00 C ATOM 1710 O LEU A 111 9.706 -6.822 -4.168 1.00 0.00 O ATOM 1711 CB LEU A 111 9.653 -8.535 -1.905 1.00 0.00 C ATOM 1712 CG LEU A 111 8.271 -7.928 -1.663 1.00 0.00 C ATOM 1713 CD1 LEU A 111 7.180 -8.931 -2.005 1.00 0.00 C ATOM 1714 CD2 LEU A 111 8.137 -7.463 -0.221 1.00 0.00 C ATOM 0 H LEU A 111 11.972 -8.639 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 111 9.338 -9.968 -3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.795 -9.356 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 111 10.405 -7.781 -1.671 1.00 0.00 H new ATOM 0 HG LEU A 111 8.157 -7.062 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 111 6.203 -8.481 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.263 -9.215 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.291 -9.817 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.147 -7.034 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 111 8.272 -8.312 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.896 -6.709 -0.010 1.00 0.00 H new ATOM 1726 N LEU A 112 8.862 -8.488 -5.424 1.00 0.00 N ATOM 1727 CA LEU A 112 8.393 -7.599 -6.482 1.00 0.00 C ATOM 1728 C LEU A 112 6.870 -7.603 -6.561 1.00 0.00 C ATOM 1729 O LEU A 112 6.203 -8.359 -5.853 1.00 0.00 O ATOM 1730 CB LEU A 112 8.986 -8.020 -7.828 1.00 0.00 C ATOM 1731 CG LEU A 112 10.505 -8.189 -7.869 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.891 -9.332 -8.795 1.00 0.00 C ATOM 1733 CD2 LEU A 112 11.174 -6.894 -8.309 1.00 0.00 C ATOM 0 H LEU A 112 8.671 -9.476 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 112 8.723 -6.587 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.527 -8.963 -8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.703 -7.278 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 112 10.851 -8.431 -6.864 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.976 -9.437 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.442 -10.258 -8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.532 -9.121 -9.802 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.255 -7.033 -8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.821 -6.622 -9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.925 -6.099 -7.606 1.00 0.00 H new ATOM 1745 N LEU A 113 6.326 -6.756 -7.427 1.00 0.00 N ATOM 1746 CA LEU A 113 4.881 -6.662 -7.601 1.00 0.00 C ATOM 1747 C LEU A 113 4.419 -7.507 -8.784 1.00 0.00 C ATOM 1748 O LEU A 113 4.711 -7.191 -9.937 1.00 0.00 O ATOM 1749 CB LEU A 113 4.465 -5.205 -7.808 1.00 0.00 C ATOM 1750 CG LEU A 113 4.952 -4.212 -6.751 1.00 0.00 C ATOM 1751 CD1 LEU A 113 4.928 -2.794 -7.300 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.101 -4.313 -5.493 1.00 0.00 C ATOM 0 H LEU A 113 6.864 -6.124 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 113 4.406 -7.044 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.831 -4.878 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.377 -5.160 -7.846 1.00 0.00 H new ATOM 0 HG LEU A 113 5.981 -4.462 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.278 -2.101 -6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.579 -2.730 -8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.910 -2.533 -7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.461 -3.600 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.063 -4.089 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.169 -5.323 -5.088 1.00 0.00 H new ATOM 1764 N ARG A 114 3.694 -8.582 -8.490 1.00 0.00 N ATOM 1765 CA ARG A 114 3.191 -9.472 -9.529 1.00 0.00 C ATOM 1766 C ARG A 114 1.724 -9.179 -9.832 1.00 0.00 C ATOM 1767 O ARG A 114 1.369 -8.837 -10.961 1.00 0.00 O ATOM 1768 CB ARG A 114 3.352 -10.932 -9.103 1.00 0.00 C ATOM 1769 CG ARG A 114 4.800 -11.388 -9.030 1.00 0.00 C ATOM 1770 CD ARG A 114 4.983 -12.503 -8.012 1.00 0.00 C ATOM 1771 NE ARG A 114 4.022 -13.585 -8.207 1.00 0.00 N ATOM 1772 CZ ARG A 114 4.209 -14.589 -9.056 1.00 0.00 C ATOM 1773 NH1 ARG A 114 5.315 -14.649 -9.784 1.00 0.00 N ATOM 1774 NH2 ARG A 114 3.288 -15.537 -9.177 1.00 0.00 N ATOM 0 H ARG A 114 3.442 -8.857 -7.541 1.00 0.00 H new ATOM 0 HA ARG A 114 3.774 -9.298 -10.434 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.886 -11.071 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.814 -11.568 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.124 -11.734 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.436 -10.543 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.996 -12.900 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.873 -12.097 -7.006 1.00 0.00 H new ATOM 0 HE ARG A 114 3.160 -13.569 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.025 -13.923 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.456 -15.421 -10.435 1.00 0.00 H new ATOM 0 HH21 ARG A 114 2.436 -15.495 -8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 114 3.432 -16.308 -9.829 1.00 0.00 H new ATOM 1788 N HIS A 115 0.876 -9.316 -8.817 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.552 -9.066 -8.975 1.00 0.00 C ATOM 1790 C HIS A 115 -1.061 -8.119 -7.893 1.00 0.00 C ATOM 1791 O HIS A 115 -0.788 -8.292 -6.704 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.330 -10.381 -8.925 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.573 -11.546 -9.485 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.598 -11.888 -10.821 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.234 -12.450 -8.882 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.160 -12.952 -11.015 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.677 -13.313 -9.854 1.00 0.00 N ATOM 0 H HIS A 115 1.153 -9.599 -7.877 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.708 -8.597 -9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.598 -10.596 -7.891 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.262 -10.264 -9.478 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -1.120 -11.396 -11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.483 -12.486 -7.832 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.329 -13.443 -11.962 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.816 -7.092 -8.311 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.378 -6.098 -7.392 1.00 0.00 C ATOM 1808 C PRO A 116 -3.480 -6.678 -6.512 1.00 0.00 C ATOM 1809 O PRO A 116 -3.895 -7.823 -6.695 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.949 -5.031 -8.330 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.234 -5.757 -9.600 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.181 -6.825 -9.712 1.00 0.00 C ATOM 0 HA PRO A 116 -1.630 -5.718 -6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.854 -4.584 -7.918 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.237 -4.221 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.233 -6.194 -9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.196 -5.080 -10.453 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.565 -7.718 -10.204 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.324 -6.485 -10.293 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.950 -5.882 -5.559 1.00 0.00 N ATOM 1821 CA TYR A 117 -5.003 -6.318 -4.649 1.00 0.00 C ATOM 1822 C TYR A 117 -6.382 -6.032 -5.236 1.00 0.00 C ATOM 1823 O TYR A 117 -6.561 -5.084 -5.998 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.858 -5.621 -3.296 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.135 -5.596 -2.487 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.770 -6.776 -2.119 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.706 -4.393 -2.089 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.938 -6.758 -1.381 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.872 -4.366 -1.350 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.485 -5.551 -0.998 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.647 -5.529 -0.261 1.00 0.00 O ATOM 0 H TYR A 117 -3.619 -4.931 -5.396 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.904 -7.394 -4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.082 -6.124 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.521 -4.597 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.343 -7.723 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.229 -3.463 -2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.420 -7.684 -1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.302 -3.422 -1.049 1.00 0.00 H new ATOM 0 HH TYR A 117 -9.855 -4.606 -0.005 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.356 -6.861 -4.872 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.708 -6.682 -5.370 1.00 0.00 C ATOM 1843 C GLY A 118 -8.868 -7.164 -6.798 1.00 0.00 C ATOM 1844 O GLY A 118 -9.815 -7.886 -7.114 1.00 0.00 O ATOM 0 H GLY A 118 -7.233 -7.653 -4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.403 -7.222 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.976 -5.627 -5.314 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.943 -6.765 -7.663 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.988 -7.158 -9.066 1.00 0.00 C ATOM 1850 C TYR A 119 -8.097 -8.674 -9.205 1.00 0.00 C ATOM 1851 O TYR A 119 -7.814 -9.418 -8.265 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.742 -6.657 -9.799 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.880 -6.667 -11.304 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -7.639 -5.704 -11.959 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -6.250 -7.638 -12.073 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -7.768 -5.711 -13.334 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -6.372 -7.651 -13.449 1.00 0.00 C ATOM 1858 CZ TYR A 119 -7.132 -6.686 -14.075 1.00 0.00 C ATOM 1859 OH TYR A 119 -7.257 -6.694 -15.445 1.00 0.00 O ATOM 0 H TYR A 119 -7.152 -6.169 -7.417 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.872 -6.705 -9.514 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.521 -5.642 -9.470 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.891 -7.277 -9.516 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -8.136 -4.938 -11.383 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.654 -8.396 -11.586 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.364 -4.957 -13.827 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.875 -8.413 -14.031 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.747 -7.444 -15.816 1.00 0.00 H new