USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 635 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 417 HIS :FLIP no HD1:sc= -0.357 F(o=-2.7,f=-2) USER MOD Set 1.2: A 421 CYS SG : rot -58:sc= 0.432 USER MOD Set 1.3: A 426 CYS SG : rot -129:sc= -0.934 USER MOD Set 1.4: A 429 CYS SG : rot 163:sc= -1.14! USER MOD Set 2.1: A 416 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 420 ASN : amide:sc= 0.415 X(o=0.41,f=0.13) USER MOD Set 3.1: A 393 HIS :FLIP no HE2:sc= -0.532 F(o=-0.36,f=0.25) USER MOD Set 3.2: A 397 CYS SG : rot 148:sc= 0.213 USER MOD Set 3.3: A 403 CYS SG : rot -49:sc= -0.111 USER MOD Set 3.4: A 408 CYS SG : rot -143:sc= 0.683 USER MOD Set 4.1: A 395 THR OG1 : rot -30:sc= 0.932 USER MOD Set 4.2: A 396 HIS : no HE2:sc= 0.726 K(o=1.7,f=-1.5!) USER MOD Set 5.1: A 394 MET CE :methyl 179:sc= -0.28 (180deg=-0.174) USER MOD Set 5.2: A 411 SER OG : rot -49:sc= 1.1 USER MOD Set 6.1: A 362 HIS :FLIP no HD1:sc= -0.415 F(o=-0.58,f=0.62) USER MOD Set 6.2: A 366 CYS SG : rot -151:sc= -0.427 USER MOD Set 6.3: A 367 GLN : amide:sc= 0.335 K(o=0.62,f=-6.8) USER MOD Set 6.4: A 384 CYS SG : rot -20:sc= 0.185 USER MOD Set 6.5: A 388 LYS NZ :NH3+ 167:sc= 0.946! (180deg=0.34) USER MOD Single : A 349 LYS NZ :NH3+ 163:sc= -0.0358 (180deg=-0.317) USER MOD Single : A 351 LYS NZ :NH3+ 170:sc= 1.16 (180deg=0.862) USER MOD Single : A 354 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 355 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 356 GLN : amide:sc= 0.986 K(o=0.99,f=0) USER MOD Single : A 364 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 365 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 371 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 383 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 MET CE :methyl 150:sc= -0.224 (180deg=-1.61!) USER MOD Single : A 389 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 392 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= 0.623 K(o=0.62,f=0) USER MOD Single : A 407 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.048) USER MOD Single : A 410 SER OG : rot 180:sc= 0 USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 419 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 422 THR OG1 : rot 180:sc=0.000765 USER MOD Single : A 424 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.041 -16.392 15.139 1.00 0.00 N ATOM 85 CA PRO A 347 3.306 -15.163 15.461 1.00 0.00 C ATOM 86 C PRO A 347 4.004 -13.837 15.155 1.00 0.00 C ATOM 87 O PRO A 347 3.365 -12.937 14.617 1.00 0.00 O ATOM 88 CB PRO A 347 2.952 -15.252 16.947 1.00 0.00 C ATOM 89 CG PRO A 347 2.962 -16.751 17.229 1.00 0.00 C ATOM 90 CD PRO A 347 4.058 -17.271 16.301 1.00 0.00 C ATOM 0 HA PRO A 347 2.439 -15.129 14.802 1.00 0.00 H new ATOM 0 HB2 PRO A 347 3.678 -14.723 17.564 1.00 0.00 H new ATOM 0 HB3 PRO A 347 1.977 -14.812 17.154 1.00 0.00 H new ATOM 0 HG2 PRO A 347 3.185 -16.963 18.275 1.00 0.00 H new ATOM 0 HG3 PRO A 347 1.997 -17.209 17.010 1.00 0.00 H new ATOM 0 HD2 PRO A 347 5.030 -17.250 16.793 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.869 -18.305 16.013 1.00 0.00 H new ATOM 98 N GLU A 348 5.300 -13.699 15.445 1.00 0.00 N ATOM 99 CA GLU A 348 6.069 -12.476 15.151 1.00 0.00 C ATOM 100 C GLU A 348 6.140 -12.238 13.642 1.00 0.00 C ATOM 101 O GLU A 348 5.989 -11.113 13.166 1.00 0.00 O ATOM 102 CB GLU A 348 7.496 -12.542 15.719 1.00 0.00 C ATOM 103 CG GLU A 348 7.584 -12.903 17.211 1.00 0.00 C ATOM 104 CD GLU A 348 6.731 -11.973 18.093 1.00 0.00 C ATOM 105 OE1 GLU A 348 6.876 -10.730 18.006 1.00 0.00 O ATOM 106 OE2 GLU A 348 5.881 -12.469 18.869 1.00 0.00 O ATOM 0 H GLU A 348 5.852 -14.431 15.892 1.00 0.00 H new ATOM 0 HA GLU A 348 5.547 -11.649 15.633 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.065 -13.276 15.149 1.00 0.00 H new ATOM 0 HB3 GLU A 348 7.978 -11.576 15.565 1.00 0.00 H new ATOM 0 HG2 GLU A 348 7.257 -13.933 17.352 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.624 -12.851 17.533 1.00 0.00 H new ATOM 113 N LYS A 349 6.294 -13.322 12.880 1.00 0.00 N ATOM 114 CA LYS A 349 6.279 -13.328 11.426 1.00 0.00 C ATOM 115 C LYS A 349 4.877 -13.011 10.920 1.00 0.00 C ATOM 116 O LYS A 349 4.797 -12.237 9.985 1.00 0.00 O ATOM 117 CB LYS A 349 6.882 -14.631 10.880 1.00 0.00 C ATOM 118 CG LYS A 349 8.417 -14.521 10.953 1.00 0.00 C ATOM 119 CD LYS A 349 9.125 -15.747 10.359 1.00 0.00 C ATOM 120 CE LYS A 349 10.631 -15.784 10.662 1.00 0.00 C ATOM 121 NZ LYS A 349 10.901 -15.841 12.123 1.00 0.00 N ATOM 0 H LYS A 349 6.437 -14.250 13.278 1.00 0.00 H new ATOM 0 HA LYS A 349 6.922 -12.538 11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 349 6.534 -15.484 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 349 6.562 -14.796 9.851 1.00 0.00 H new ATOM 0 HG2 LYS A 349 8.739 -13.626 10.420 1.00 0.00 H new ATOM 0 HG3 LYS A 349 8.720 -14.399 11.993 1.00 0.00 H new ATOM 0 HD2 LYS A 349 8.660 -16.652 10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 349 8.978 -15.755 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 349 11.078 -16.651 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 349 11.108 -14.900 10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 11.881 -16.151 12.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.764 -14.898 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 10.248 -16.515 12.571 1.00 0.00 H new ATOM 135 N ARG A 350 3.778 -13.476 11.531 1.00 0.00 N ATOM 136 CA ARG A 350 2.406 -13.077 11.133 1.00 0.00 C ATOM 137 C ARG A 350 2.237 -11.561 11.114 1.00 0.00 C ATOM 138 O ARG A 350 1.956 -11.007 10.051 1.00 0.00 O ATOM 139 CB ARG A 350 1.304 -13.755 11.979 1.00 0.00 C ATOM 140 CG ARG A 350 1.254 -15.293 11.944 1.00 0.00 C ATOM 141 CD ARG A 350 1.606 -15.930 10.596 1.00 0.00 C ATOM 142 NE ARG A 350 0.723 -15.466 9.505 1.00 0.00 N ATOM 143 CZ ARG A 350 0.987 -15.489 8.210 1.00 0.00 C ATOM 144 NH1 ARG A 350 2.117 -15.930 7.736 1.00 0.00 N ATOM 145 NH2 ARG A 350 0.107 -15.057 7.353 1.00 0.00 N ATOM 0 H ARG A 350 3.806 -14.134 12.310 1.00 0.00 H new ATOM 0 HA ARG A 350 2.277 -13.440 10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.430 -13.442 13.016 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.338 -13.375 11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 350 1.938 -15.679 12.699 1.00 0.00 H new ATOM 0 HG3 ARG A 350 0.252 -15.614 12.228 1.00 0.00 H new ATOM 0 HD2 ARG A 350 2.641 -15.696 10.346 1.00 0.00 H new ATOM 0 HD3 ARG A 350 1.535 -17.014 10.680 1.00 0.00 H new ATOM 0 HE ARG A 350 -0.184 -15.089 9.780 1.00 0.00 H new ATOM 0 HH11 ARG A 350 2.837 -16.274 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 350 2.282 -15.931 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -0.790 -14.699 7.680 1.00 0.00 H new ATOM 0 HH22 ARG A 350 0.315 -15.077 6.355 1.00 0.00 H new ATOM 159 N LYS A 351 2.478 -10.893 12.247 1.00 0.00 N ATOM 160 CA LYS A 351 2.420 -9.418 12.362 1.00 0.00 C ATOM 161 C LYS A 351 3.391 -8.731 11.398 1.00 0.00 C ATOM 162 O LYS A 351 3.006 -7.778 10.719 1.00 0.00 O ATOM 163 CB LYS A 351 2.641 -8.899 13.802 1.00 0.00 C ATOM 164 CG LYS A 351 3.161 -9.933 14.801 1.00 0.00 C ATOM 165 CD LYS A 351 3.688 -9.295 16.089 1.00 0.00 C ATOM 166 CE LYS A 351 3.548 -10.285 17.252 1.00 0.00 C ATOM 167 NZ LYS A 351 4.278 -9.828 18.459 1.00 0.00 N ATOM 0 H LYS A 351 2.722 -11.358 13.122 1.00 0.00 H new ATOM 0 HA LYS A 351 1.400 -9.153 12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.345 -8.068 13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 351 1.697 -8.501 14.175 1.00 0.00 H new ATOM 0 HG2 LYS A 351 2.360 -10.630 15.047 1.00 0.00 H new ATOM 0 HG3 LYS A 351 3.957 -10.514 14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 351 4.733 -9.011 15.964 1.00 0.00 H new ATOM 0 HD3 LYS A 351 3.134 -8.382 16.307 1.00 0.00 H new ATOM 0 HE2 LYS A 351 2.493 -10.414 17.493 1.00 0.00 H new ATOM 0 HE3 LYS A 351 3.927 -11.260 16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 4.023 -10.430 19.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 5.302 -9.891 18.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 4.021 -8.842 18.667 1.00 0.00 H new ATOM 181 N LEU A 352 4.638 -9.204 11.328 1.00 0.00 N ATOM 182 CA LEU A 352 5.662 -8.593 10.479 1.00 0.00 C ATOM 183 C LEU A 352 5.264 -8.703 8.992 1.00 0.00 C ATOM 184 O LEU A 352 5.296 -7.706 8.271 1.00 0.00 O ATOM 185 CB LEU A 352 7.001 -9.325 10.717 1.00 0.00 C ATOM 186 CG LEU A 352 7.941 -8.804 11.834 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.385 -8.730 11.344 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.552 -7.482 12.501 1.00 0.00 C ATOM 0 H LEU A 352 4.964 -10.015 11.854 1.00 0.00 H new ATOM 0 HA LEU A 352 5.761 -7.537 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 352 6.774 -10.369 10.935 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.558 -9.309 9.780 1.00 0.00 H new ATOM 0 HG LEU A 352 7.830 -9.551 12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 352 10.023 -8.362 12.147 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.718 -9.723 11.042 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.446 -8.053 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 352 8.289 -7.228 13.263 1.00 0.00 H new ATOM 0 HD22 LEU A 352 7.519 -6.692 11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.571 -7.583 12.965 1.00 0.00 H new ATOM 200 N ILE A 353 4.871 -9.895 8.526 1.00 0.00 N ATOM 201 CA ILE A 353 4.496 -10.163 7.126 1.00 0.00 C ATOM 202 C ILE A 353 3.267 -9.352 6.712 1.00 0.00 C ATOM 203 O ILE A 353 3.292 -8.689 5.671 1.00 0.00 O ATOM 204 CB ILE A 353 4.388 -11.691 6.858 1.00 0.00 C ATOM 205 CG1 ILE A 353 5.208 -12.104 5.622 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.958 -12.263 6.806 1.00 0.00 C ATOM 207 CD1 ILE A 353 5.541 -13.604 5.624 1.00 0.00 C ATOM 0 H ILE A 353 4.802 -10.720 9.122 1.00 0.00 H new ATOM 0 HA ILE A 353 5.295 -9.814 6.472 1.00 0.00 H new ATOM 0 HB ILE A 353 4.824 -12.150 7.746 1.00 0.00 H new ATOM 0 HG12 ILE A 353 4.650 -11.858 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 353 6.133 -11.528 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 353 3.002 -13.335 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.460 -12.085 7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.399 -11.774 6.008 1.00 0.00 H new ATOM 0 HD11 ILE A 353 6.120 -13.849 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 353 6.123 -13.846 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 353 4.617 -14.182 5.626 1.00 0.00 H new ATOM 219 N GLN A 354 2.223 -9.327 7.552 1.00 0.00 N ATOM 220 CA GLN A 354 1.040 -8.505 7.260 1.00 0.00 C ATOM 221 C GLN A 354 1.400 -7.015 7.224 1.00 0.00 C ATOM 222 O GLN A 354 0.885 -6.290 6.376 1.00 0.00 O ATOM 223 CB GLN A 354 -0.149 -8.812 8.182 1.00 0.00 C ATOM 224 CG GLN A 354 0.001 -8.361 9.636 1.00 0.00 C ATOM 225 CD GLN A 354 -1.268 -8.613 10.446 1.00 0.00 C ATOM 226 OE1 GLN A 354 -1.405 -9.604 11.152 1.00 0.00 O ATOM 227 NE2 GLN A 354 -2.245 -7.731 10.383 1.00 0.00 N ATOM 0 H GLN A 354 2.172 -9.855 8.423 1.00 0.00 H new ATOM 0 HA GLN A 354 0.698 -8.779 6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -1.039 -8.340 7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.324 -9.888 8.171 1.00 0.00 H new ATOM 0 HG2 GLN A 354 0.836 -8.890 10.096 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.244 -7.299 9.663 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -2.145 -6.901 9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -3.101 -7.879 10.918 1.00 0.00 H new ATOM 236 N GLN A 355 2.324 -6.559 8.083 1.00 0.00 N ATOM 237 CA GLN A 355 2.819 -5.184 8.050 1.00 0.00 C ATOM 238 C GLN A 355 3.509 -4.888 6.703 1.00 0.00 C ATOM 239 O GLN A 355 3.211 -3.850 6.113 1.00 0.00 O ATOM 240 CB GLN A 355 3.672 -4.908 9.284 1.00 0.00 C ATOM 241 CG GLN A 355 4.269 -3.496 9.339 1.00 0.00 C ATOM 242 CD GLN A 355 5.054 -3.285 10.633 1.00 0.00 C ATOM 243 OE1 GLN A 355 6.178 -3.742 10.793 1.00 0.00 O ATOM 244 NE2 GLN A 355 4.499 -2.594 11.609 1.00 0.00 N ATOM 0 H GLN A 355 2.744 -7.133 8.814 1.00 0.00 H new ATOM 0 HA GLN A 355 1.989 -4.479 8.102 1.00 0.00 H new ATOM 0 HB2 GLN A 355 3.063 -5.067 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.484 -5.634 9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 355 4.924 -3.340 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 355 3.471 -2.757 9.268 1.00 0.00 H new ATOM 0 HE21 GLN A 355 3.563 -2.207 11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 355 5.006 -2.447 12.482 1.00 0.00 H new ATOM 253 N GLN A 356 4.327 -5.802 6.144 1.00 0.00 N ATOM 254 CA GLN A 356 4.835 -5.625 4.776 1.00 0.00 C ATOM 255 C GLN A 356 3.728 -5.490 3.736 1.00 0.00 C ATOM 256 O GLN A 356 3.719 -4.515 3.000 1.00 0.00 O ATOM 257 CB GLN A 356 5.826 -6.698 4.318 1.00 0.00 C ATOM 258 CG GLN A 356 6.732 -7.382 5.343 1.00 0.00 C ATOM 259 CD GLN A 356 7.660 -6.390 6.046 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.562 -5.813 5.453 1.00 0.00 O ATOM 261 NE2 GLN A 356 7.480 -6.150 7.327 1.00 0.00 N ATOM 0 H GLN A 356 4.643 -6.652 6.610 1.00 0.00 H new ATOM 0 HA GLN A 356 5.380 -4.683 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 356 5.252 -7.479 3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.471 -6.245 3.565 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.118 -7.891 6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.329 -8.146 4.845 1.00 0.00 H new ATOM 0 HE21 GLN A 356 6.732 -6.623 7.834 1.00 0.00 H new ATOM 0 HE22 GLN A 356 8.088 -5.491 7.813 1.00 0.00 H new ATOM 270 N LEU A 357 2.794 -6.444 3.688 1.00 0.00 N ATOM 271 CA LEU A 357 1.638 -6.426 2.768 1.00 0.00 C ATOM 272 C LEU A 357 0.896 -5.067 2.844 1.00 0.00 C ATOM 273 O LEU A 357 0.702 -4.395 1.833 1.00 0.00 O ATOM 274 CB LEU A 357 0.709 -7.606 3.145 1.00 0.00 C ATOM 275 CG LEU A 357 -0.105 -8.219 1.989 1.00 0.00 C ATOM 276 CD1 LEU A 357 -1.196 -9.127 2.547 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.727 -7.180 1.072 1.00 0.00 C ATOM 0 H LEU A 357 2.814 -7.265 4.293 1.00 0.00 H new ATOM 0 HA LEU A 357 1.972 -6.541 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.317 -8.393 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 357 0.014 -7.265 3.912 1.00 0.00 H new ATOM 0 HG LEU A 357 0.598 -8.792 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.768 -9.557 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.740 -9.928 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -1.861 -8.546 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.285 -7.681 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.402 -6.545 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 357 0.059 -6.568 0.630 1.00 0.00 H new ATOM 289 N VAL A 358 0.529 -4.617 4.047 1.00 0.00 N ATOM 290 CA VAL A 358 -0.142 -3.324 4.283 1.00 0.00 C ATOM 291 C VAL A 358 0.718 -2.130 3.837 1.00 0.00 C ATOM 292 O VAL A 358 0.187 -1.171 3.277 1.00 0.00 O ATOM 293 CB VAL A 358 -0.539 -3.203 5.773 1.00 0.00 C ATOM 294 CG1 VAL A 358 -1.042 -1.804 6.158 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.653 -4.199 6.142 1.00 0.00 C ATOM 0 H VAL A 358 0.690 -5.147 4.904 1.00 0.00 H new ATOM 0 HA VAL A 358 -1.044 -3.299 3.672 1.00 0.00 H new ATOM 0 HB VAL A 358 0.379 -3.418 6.320 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.303 -1.790 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.259 -1.070 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -1.922 -1.557 5.564 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -1.907 -4.087 7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.535 -4.001 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.307 -5.216 5.959 1.00 0.00 H new ATOM 305 N LEU A 359 2.040 -2.184 4.021 1.00 0.00 N ATOM 306 CA LEU A 359 2.972 -1.119 3.615 1.00 0.00 C ATOM 307 C LEU A 359 3.225 -1.118 2.098 1.00 0.00 C ATOM 308 O LEU A 359 3.398 -0.059 1.501 1.00 0.00 O ATOM 309 CB LEU A 359 4.293 -1.240 4.392 1.00 0.00 C ATOM 310 CG LEU A 359 4.246 -0.777 5.860 1.00 0.00 C ATOM 311 CD1 LEU A 359 5.585 -1.096 6.530 1.00 0.00 C ATOM 312 CD2 LEU A 359 4.012 0.732 5.987 1.00 0.00 C ATOM 0 H LEU A 359 2.503 -2.978 4.462 1.00 0.00 H new ATOM 0 HA LEU A 359 2.506 -0.164 3.859 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.614 -2.281 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.055 -0.660 3.871 1.00 0.00 H new ATOM 0 HG LEU A 359 3.417 -1.301 6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 359 5.558 -0.771 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 359 5.765 -2.170 6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.387 -0.575 6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 359 3.987 1.009 7.041 1.00 0.00 H new ATOM 0 HD22 LEU A 359 4.820 1.269 5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.062 0.993 5.521 1.00 0.00 H new ATOM 324 N LEU A 360 3.178 -2.286 1.460 1.00 0.00 N ATOM 325 CA LEU A 360 3.255 -2.493 0.011 1.00 0.00 C ATOM 326 C LEU A 360 2.037 -1.851 -0.660 1.00 0.00 C ATOM 327 O LEU A 360 2.148 -1.134 -1.655 1.00 0.00 O ATOM 328 CB LEU A 360 3.262 -4.017 -0.238 1.00 0.00 C ATOM 329 CG LEU A 360 4.593 -4.641 -0.698 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.851 -4.067 -0.042 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.576 -6.139 -0.387 1.00 0.00 C ATOM 0 H LEU A 360 3.080 -3.165 1.968 1.00 0.00 H new ATOM 0 HA LEU A 360 4.154 -2.038 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.955 -4.513 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.504 -4.242 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 360 4.654 -4.414 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.731 -4.575 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.920 -3.001 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.799 -4.215 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.515 -6.588 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.453 -6.286 0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.748 -6.611 -0.915 1.00 0.00 H new ATOM 343 N LEU A 361 0.860 -2.084 -0.081 1.00 0.00 N ATOM 344 CA LEU A 361 -0.385 -1.501 -0.561 1.00 0.00 C ATOM 345 C LEU A 361 -0.464 -0.010 -0.223 1.00 0.00 C ATOM 346 O LEU A 361 -0.985 0.750 -1.042 1.00 0.00 O ATOM 347 CB LEU A 361 -1.559 -2.344 -0.058 1.00 0.00 C ATOM 348 CG LEU A 361 -1.472 -3.786 -0.621 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.658 -4.604 -0.135 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.477 -3.868 -2.152 1.00 0.00 C ATOM 0 H LEU A 361 0.746 -2.684 0.736 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.430 -1.529 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.554 -2.372 1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.500 -1.885 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.518 -4.171 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.590 -5.616 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.651 -4.643 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.584 -4.141 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.413 -4.911 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.399 -3.431 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -0.623 -3.320 -2.549 1.00 0.00 H new ATOM 362 N HIS A 362 0.125 0.433 0.897 1.00 0.00 N ATOM 363 CA HIS A 362 0.282 1.863 1.177 1.00 0.00 C ATOM 364 C HIS A 362 1.185 2.471 0.095 1.00 0.00 C ATOM 365 O HIS A 362 0.857 3.521 -0.437 1.00 0.00 O ATOM 366 CB HIS A 362 0.859 2.143 2.575 1.00 0.00 C ATOM 367 CG HIS A 362 1.041 3.629 2.817 1.00 0.00 C ATOM 368 ND1 HIS A 362 2.022 4.426 2.282 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 0.176 4.463 3.489 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.728 5.756 2.596 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.611 5.728 3.341 1.00 0.00 N flip ATOM 0 H HIS A 362 0.499 -0.180 1.622 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.707 2.322 1.162 1.00 0.00 H new ATOM 0 HB2 HIS A 362 0.194 1.729 3.333 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.818 1.636 2.681 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -0.700 4.155 4.040 1.00 0.00 H new ATOM 0 HE1 HIS A 362 2.287 6.631 2.299 1.00 0.00 H new ATOM 0 HE2 HIS A 362 0.156 6.550 3.739 1.00 0.00 H new ATOM 379 N ALA A 363 2.293 1.821 -0.274 1.00 0.00 N ATOM 380 CA ALA A 363 3.179 2.294 -1.334 1.00 0.00 C ATOM 381 C ALA A 363 2.431 2.429 -2.671 1.00 0.00 C ATOM 382 O ALA A 363 2.577 3.455 -3.326 1.00 0.00 O ATOM 383 CB ALA A 363 4.406 1.385 -1.423 1.00 0.00 C ATOM 0 H ALA A 363 2.599 0.949 0.158 1.00 0.00 H new ATOM 0 HA ALA A 363 3.530 3.297 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.065 1.740 -2.215 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.939 1.400 -0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.089 0.366 -1.645 1.00 0.00 H new ATOM 389 N HIS A 364 1.594 1.457 -3.062 1.00 0.00 N ATOM 390 CA HIS A 364 0.772 1.536 -4.278 1.00 0.00 C ATOM 391 C HIS A 364 -0.142 2.779 -4.254 1.00 0.00 C ATOM 392 O HIS A 364 -0.089 3.647 -5.134 1.00 0.00 O ATOM 393 CB HIS A 364 -0.050 0.244 -4.414 1.00 0.00 C ATOM 394 CG HIS A 364 -0.710 0.103 -5.762 1.00 0.00 C ATOM 395 ND1 HIS A 364 -2.061 0.172 -6.021 1.00 0.00 N ATOM 396 CD2 HIS A 364 -0.080 -0.112 -6.959 1.00 0.00 C ATOM 397 CE1 HIS A 364 -2.243 0.002 -7.343 1.00 0.00 C ATOM 398 NE2 HIS A 364 -1.060 -0.174 -7.960 1.00 0.00 N ATOM 0 H HIS A 364 1.468 0.589 -2.541 1.00 0.00 H new ATOM 0 HA HIS A 364 1.425 1.638 -5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 364 0.601 -0.613 -4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.815 0.223 -3.638 1.00 0.00 H new ATOM 0 HD2 HIS A 364 0.985 -0.216 -7.106 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -3.202 0.006 -7.839 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -0.907 -0.323 -8.957 1.00 0.00 H new ATOM 406 N LYS A 365 -0.918 2.887 -3.167 1.00 0.00 N ATOM 407 CA LYS A 365 -1.796 4.015 -2.810 1.00 0.00 C ATOM 408 C LYS A 365 -1.103 5.362 -2.927 1.00 0.00 C ATOM 409 O LYS A 365 -1.566 6.260 -3.625 1.00 0.00 O ATOM 410 CB LYS A 365 -2.273 3.762 -1.363 1.00 0.00 C ATOM 411 CG LYS A 365 -2.580 4.983 -0.476 1.00 0.00 C ATOM 412 CD LYS A 365 -3.057 4.464 0.894 1.00 0.00 C ATOM 413 CE LYS A 365 -3.863 5.548 1.622 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.401 5.061 2.922 1.00 0.00 N ATOM 0 H LYS A 365 -0.953 2.144 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.634 4.063 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.174 3.150 -1.411 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.510 3.168 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.692 5.604 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.347 5.606 -0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -3.671 3.573 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.199 4.171 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.229 6.418 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.687 5.875 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -4.939 5.823 3.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.027 4.247 2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -3.614 4.773 3.537 1.00 0.00 H new ATOM 428 N CYS A 366 -0.002 5.491 -2.205 1.00 0.00 N ATOM 429 CA CYS A 366 0.781 6.692 -2.061 1.00 0.00 C ATOM 430 C CYS A 366 1.550 7.021 -3.350 1.00 0.00 C ATOM 431 O CYS A 366 1.802 8.190 -3.618 1.00 0.00 O ATOM 432 CB CYS A 366 1.580 6.489 -0.780 1.00 0.00 C ATOM 433 SG CYS A 366 2.521 7.941 -0.260 1.00 0.00 S ATOM 0 H CYS A 366 0.386 4.710 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 366 0.197 7.605 -1.942 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.897 6.206 0.021 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.268 5.655 -0.922 1.00 0.00 H new ATOM 0 HG CYS A 366 3.575 7.562 0.399 1.00 0.00 H new ATOM 438 N GLN A 367 1.884 6.043 -4.202 1.00 0.00 N ATOM 439 CA GLN A 367 2.486 6.303 -5.517 1.00 0.00 C ATOM 440 C GLN A 367 1.434 6.942 -6.433 1.00 0.00 C ATOM 441 O GLN A 367 1.685 8.005 -6.999 1.00 0.00 O ATOM 442 CB GLN A 367 3.090 5.015 -6.109 1.00 0.00 C ATOM 443 CG GLN A 367 4.088 5.289 -7.246 1.00 0.00 C ATOM 444 CD GLN A 367 5.350 6.029 -6.792 1.00 0.00 C ATOM 445 OE1 GLN A 367 5.600 6.254 -5.612 1.00 0.00 O ATOM 446 NE2 GLN A 367 6.191 6.450 -7.710 1.00 0.00 N ATOM 0 H GLN A 367 1.745 5.053 -4.001 1.00 0.00 H new ATOM 0 HA GLN A 367 3.314 7.005 -5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 367 3.592 4.458 -5.318 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.286 4.381 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 367 4.377 4.341 -7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 367 3.592 5.875 -8.020 1.00 0.00 H new ATOM 0 HE21 GLN A 367 6.000 6.272 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 367 7.034 6.954 -7.436 1.00 0.00 H new ATOM 455 N ARG A 368 0.227 6.357 -6.497 1.00 0.00 N ATOM 456 CA ARG A 368 -0.932 6.921 -7.216 1.00 0.00 C ATOM 457 C ARG A 368 -1.266 8.325 -6.723 1.00 0.00 C ATOM 458 O ARG A 368 -1.398 9.248 -7.524 1.00 0.00 O ATOM 459 CB ARG A 368 -2.099 5.923 -7.079 1.00 0.00 C ATOM 460 CG ARG A 368 -3.460 6.447 -7.557 1.00 0.00 C ATOM 461 CD ARG A 368 -4.528 5.359 -7.375 1.00 0.00 C ATOM 462 NE ARG A 368 -5.892 5.923 -7.387 1.00 0.00 N ATOM 463 CZ ARG A 368 -6.949 5.412 -6.779 1.00 0.00 C ATOM 464 NH1 ARG A 368 -6.947 4.245 -6.206 1.00 0.00 N ATOM 465 NH2 ARG A 368 -8.071 6.058 -6.706 1.00 0.00 N ATOM 0 H ARG A 368 0.024 5.466 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 368 -0.707 7.049 -8.275 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.855 5.022 -7.642 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -2.186 5.631 -6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -3.736 7.338 -6.993 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -3.400 6.739 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -4.433 4.620 -8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -4.359 4.837 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 368 -6.032 6.786 -7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -6.101 3.676 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -7.792 3.899 -5.751 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -8.154 6.985 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -8.871 5.639 -6.231 1.00 0.00 H new ATOM 479 N ARG A 369 -1.356 8.493 -5.407 1.00 0.00 N ATOM 480 CA ARG A 369 -1.665 9.756 -4.731 1.00 0.00 C ATOM 481 C ARG A 369 -0.627 10.837 -5.017 1.00 0.00 C ATOM 482 O ARG A 369 -0.984 11.965 -5.343 1.00 0.00 O ATOM 483 CB ARG A 369 -1.760 9.425 -3.230 1.00 0.00 C ATOM 484 CG ARG A 369 -1.772 10.565 -2.193 1.00 0.00 C ATOM 485 CD ARG A 369 -0.818 10.204 -1.035 1.00 0.00 C ATOM 486 NE ARG A 369 -0.940 11.136 0.107 1.00 0.00 N ATOM 487 CZ ARG A 369 -0.348 12.310 0.262 1.00 0.00 C ATOM 488 NH1 ARG A 369 0.424 12.848 -0.638 1.00 0.00 N ATOM 489 NH2 ARG A 369 -0.515 13.009 1.347 1.00 0.00 N ATOM 0 H ARG A 369 -1.210 7.724 -4.753 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.603 10.172 -5.099 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.669 8.842 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -0.921 8.773 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 369 -1.461 11.500 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -2.782 10.718 -1.814 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -1.029 9.190 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 369 0.210 10.212 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 369 -1.553 10.839 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 369 0.599 12.361 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 369 0.854 13.756 -0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -1.110 12.654 2.096 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -0.051 13.912 1.449 1.00 0.00 H new ATOM 503 N GLU A 370 0.653 10.492 -4.911 1.00 0.00 N ATOM 504 CA GLU A 370 1.770 11.413 -5.155 1.00 0.00 C ATOM 505 C GLU A 370 1.799 11.892 -6.609 1.00 0.00 C ATOM 506 O GLU A 370 1.827 13.091 -6.886 1.00 0.00 O ATOM 507 CB GLU A 370 3.081 10.702 -4.805 1.00 0.00 C ATOM 508 CG GLU A 370 4.313 11.601 -4.942 1.00 0.00 C ATOM 509 CD GLU A 370 5.532 11.059 -4.167 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.699 9.825 -4.007 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.340 11.870 -3.659 1.00 0.00 O ATOM 0 H GLU A 370 0.953 9.553 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 370 1.641 12.294 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.023 10.331 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.200 9.834 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 370 4.572 11.699 -5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.071 12.600 -4.579 1.00 0.00 H new ATOM 518 N GLN A 371 1.747 10.939 -7.540 1.00 0.00 N ATOM 519 CA GLN A 371 1.703 11.208 -8.984 1.00 0.00 C ATOM 520 C GLN A 371 0.454 12.022 -9.382 1.00 0.00 C ATOM 521 O GLN A 371 0.519 12.845 -10.299 1.00 0.00 O ATOM 522 CB GLN A 371 1.765 9.886 -9.765 1.00 0.00 C ATOM 523 CG GLN A 371 3.147 9.218 -9.655 1.00 0.00 C ATOM 524 CD GLN A 371 3.218 7.861 -10.359 1.00 0.00 C ATOM 525 OE1 GLN A 371 2.270 7.087 -10.414 1.00 0.00 O ATOM 526 NE2 GLN A 371 4.351 7.510 -10.931 1.00 0.00 N ATOM 0 H GLN A 371 1.734 9.945 -7.313 1.00 0.00 H new ATOM 0 HA GLN A 371 2.572 11.815 -9.239 1.00 0.00 H new ATOM 0 HB2 GLN A 371 1.002 9.205 -9.388 1.00 0.00 H new ATOM 0 HB3 GLN A 371 1.535 10.073 -10.814 1.00 0.00 H new ATOM 0 HG2 GLN A 371 3.899 9.881 -10.082 1.00 0.00 H new ATOM 0 HG3 GLN A 371 3.398 9.088 -8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 371 5.154 8.138 -10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 371 4.425 6.611 -11.406 1.00 0.00 H new ATOM 535 N ALA A 372 -0.672 11.820 -8.686 1.00 0.00 N ATOM 536 CA ALA A 372 -1.926 12.550 -8.921 1.00 0.00 C ATOM 537 C ALA A 372 -1.962 13.959 -8.285 1.00 0.00 C ATOM 538 O ALA A 372 -2.775 14.794 -8.691 1.00 0.00 O ATOM 539 CB ALA A 372 -3.100 11.703 -8.412 1.00 0.00 C ATOM 0 H ALA A 372 -0.739 11.135 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 372 -2.003 12.714 -9.996 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -4.035 12.237 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -3.122 10.753 -8.946 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.978 11.516 -7.345 1.00 0.00 H new ATOM 652 N LEU A 381 5.324 8.416 6.535 1.00 0.00 N ATOM 653 CA LEU A 381 5.712 7.068 6.982 1.00 0.00 C ATOM 654 C LEU A 381 7.196 6.808 6.614 1.00 0.00 C ATOM 655 O LEU A 381 7.517 6.823 5.422 1.00 0.00 O ATOM 656 CB LEU A 381 4.792 6.012 6.327 1.00 0.00 C ATOM 657 CG LEU A 381 3.518 5.669 7.123 1.00 0.00 C ATOM 658 CD1 LEU A 381 2.511 6.819 7.149 1.00 0.00 C ATOM 659 CD2 LEU A 381 2.832 4.451 6.497 1.00 0.00 C ATOM 0 HA LEU A 381 5.602 6.995 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 381 4.499 6.370 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 381 5.365 5.097 6.177 1.00 0.00 H new ATOM 0 HG LEU A 381 3.833 5.467 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 381 1.634 6.521 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 381 2.969 7.693 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 381 2.212 7.064 6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 381 1.931 4.210 7.062 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.564 4.675 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.512 3.599 6.519 1.00 0.00 H new ATOM 671 N PRO A 382 8.116 6.566 7.575 1.00 0.00 N ATOM 672 CA PRO A 382 9.544 6.344 7.294 1.00 0.00 C ATOM 673 C PRO A 382 9.851 5.256 6.251 1.00 0.00 C ATOM 674 O PRO A 382 10.748 5.419 5.423 1.00 0.00 O ATOM 675 CB PRO A 382 10.181 5.983 8.643 1.00 0.00 C ATOM 676 CG PRO A 382 9.262 6.648 9.662 1.00 0.00 C ATOM 677 CD PRO A 382 7.884 6.530 9.014 1.00 0.00 C ATOM 0 HA PRO A 382 9.951 7.250 6.846 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.227 4.904 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.201 6.359 8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 382 9.298 6.143 10.627 1.00 0.00 H new ATOM 0 HG3 PRO A 382 9.538 7.688 9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 382 7.392 5.603 9.307 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.234 7.348 9.326 1.00 0.00 H new ATOM 685 N HIS A 383 9.108 4.144 6.288 1.00 0.00 N ATOM 686 CA HIS A 383 9.282 2.999 5.385 1.00 0.00 C ATOM 687 C HIS A 383 8.649 3.186 3.994 1.00 0.00 C ATOM 688 O HIS A 383 8.924 2.391 3.094 1.00 0.00 O ATOM 689 CB HIS A 383 8.672 1.752 6.050 1.00 0.00 C ATOM 690 CG HIS A 383 9.197 1.462 7.435 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.518 1.429 7.826 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.444 1.190 8.547 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.561 1.151 9.140 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.317 0.996 9.627 1.00 0.00 N ATOM 0 H HIS A 383 8.353 4.012 6.961 1.00 0.00 H new ATOM 0 HA HIS A 383 10.354 2.894 5.219 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.590 1.877 6.104 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.862 0.887 5.415 1.00 0.00 H new ATOM 0 HD2 HIS A 383 7.366 1.135 8.585 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.466 1.064 9.722 1.00 0.00 H new ATOM 0 HE2 HIS A 383 9.060 0.780 10.590 1.00 0.00 H new ATOM 702 N CYS A 384 7.796 4.199 3.802 1.00 0.00 N ATOM 703 CA CYS A 384 7.055 4.425 2.563 1.00 0.00 C ATOM 704 C CYS A 384 7.930 4.492 1.301 1.00 0.00 C ATOM 705 O CYS A 384 7.696 3.740 0.357 1.00 0.00 O ATOM 706 CB CYS A 384 6.201 5.680 2.749 1.00 0.00 C ATOM 707 SG CYS A 384 5.053 5.828 1.362 1.00 0.00 S ATOM 0 H CYS A 384 7.600 4.896 4.520 1.00 0.00 H new ATOM 0 HA CYS A 384 6.421 3.557 2.381 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.650 5.624 3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.838 6.563 2.805 1.00 0.00 H new ATOM 0 HG CYS A 384 5.484 5.116 0.364 1.00 0.00 H new ATOM 712 N ARG A 385 8.967 5.340 1.277 1.00 0.00 N ATOM 713 CA ARG A 385 9.875 5.460 0.115 1.00 0.00 C ATOM 714 C ARG A 385 10.638 4.164 -0.177 1.00 0.00 C ATOM 715 O ARG A 385 10.826 3.815 -1.341 1.00 0.00 O ATOM 716 CB ARG A 385 10.819 6.662 0.286 1.00 0.00 C ATOM 717 CG ARG A 385 10.213 7.966 -0.261 1.00 0.00 C ATOM 718 CD ARG A 385 8.924 8.418 0.444 1.00 0.00 C ATOM 719 NE ARG A 385 8.533 9.790 0.056 1.00 0.00 N ATOM 720 CZ ARG A 385 7.900 10.172 -1.042 1.00 0.00 C ATOM 721 NH1 ARG A 385 7.582 9.344 -1.993 1.00 0.00 N ATOM 722 NH2 ARG A 385 7.570 11.412 -1.224 1.00 0.00 N ATOM 0 H ARG A 385 9.204 5.959 2.052 1.00 0.00 H new ATOM 0 HA ARG A 385 9.255 5.641 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 385 11.054 6.789 1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.759 6.458 -0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 385 10.955 8.760 -0.176 1.00 0.00 H new ATOM 0 HG3 ARG A 385 10.004 7.837 -1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 385 8.116 7.728 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 385 9.066 8.373 1.524 1.00 0.00 H new ATOM 0 HE ARG A 385 8.780 10.530 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.821 8.356 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 385 7.094 9.683 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 385 7.798 12.110 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 385 7.082 11.690 -2.076 1.00 0.00 H new ATOM 736 N THR A 386 11.009 3.413 0.858 1.00 0.00 N ATOM 737 CA THR A 386 11.658 2.098 0.733 1.00 0.00 C ATOM 738 C THR A 386 10.688 1.109 0.089 1.00 0.00 C ATOM 739 O THR A 386 11.032 0.435 -0.875 1.00 0.00 O ATOM 740 CB THR A 386 12.109 1.565 2.107 1.00 0.00 C ATOM 741 OG1 THR A 386 12.849 2.547 2.805 1.00 0.00 O ATOM 742 CG2 THR A 386 12.985 0.316 2.003 1.00 0.00 C ATOM 0 H THR A 386 10.867 3.701 1.826 1.00 0.00 H new ATOM 0 HA THR A 386 12.543 2.211 0.106 1.00 0.00 H new ATOM 0 HB THR A 386 11.192 1.310 2.638 1.00 0.00 H new ATOM 0 HG1 THR A 386 13.125 2.191 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.271 -0.012 3.002 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.428 -0.478 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.881 0.547 1.427 1.00 0.00 H new ATOM 750 N MET A 387 9.445 1.054 0.571 1.00 0.00 N ATOM 751 CA MET A 387 8.390 0.189 0.038 1.00 0.00 C ATOM 752 C MET A 387 7.983 0.578 -1.392 1.00 0.00 C ATOM 753 O MET A 387 7.810 -0.293 -2.239 1.00 0.00 O ATOM 754 CB MET A 387 7.190 0.255 0.982 1.00 0.00 C ATOM 755 CG MET A 387 7.480 -0.365 2.361 1.00 0.00 C ATOM 756 SD MET A 387 7.248 -2.158 2.563 1.00 0.00 S ATOM 757 CE MET A 387 8.743 -2.853 1.800 1.00 0.00 C ATOM 0 H MET A 387 9.137 1.622 1.360 1.00 0.00 H new ATOM 0 HA MET A 387 8.769 -0.831 -0.021 1.00 0.00 H new ATOM 0 HB2 MET A 387 6.893 1.296 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.346 -0.263 0.526 1.00 0.00 H new ATOM 0 HG2 MET A 387 8.513 -0.132 2.621 1.00 0.00 H new ATOM 0 HG3 MET A 387 6.846 0.137 3.092 1.00 0.00 H new ATOM 0 HE1 MET A 387 8.997 -3.794 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.561 -3.032 0.740 1.00 0.00 H new ATOM 0 HE3 MET A 387 9.569 -2.151 1.913 1.00 0.00 H new ATOM 767 N LYS A 388 7.900 1.876 -1.701 1.00 0.00 N ATOM 768 CA LYS A 388 7.679 2.414 -3.056 1.00 0.00 C ATOM 769 C LYS A 388 8.809 1.959 -3.990 1.00 0.00 C ATOM 770 O LYS A 388 8.538 1.529 -5.112 1.00 0.00 O ATOM 771 CB LYS A 388 7.608 3.949 -2.968 1.00 0.00 C ATOM 772 CG LYS A 388 6.231 4.503 -2.554 1.00 0.00 C ATOM 773 CD LYS A 388 6.392 5.950 -2.059 1.00 0.00 C ATOM 774 CE LYS A 388 5.077 6.734 -1.894 1.00 0.00 C ATOM 775 NZ LYS A 388 4.682 7.407 -3.155 1.00 0.00 N ATOM 0 H LYS A 388 7.987 2.608 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 388 6.741 2.039 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.354 4.294 -2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.878 4.369 -3.937 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.544 4.470 -3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.799 3.884 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.910 5.934 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 388 7.032 6.488 -2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.285 6.055 -1.579 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.192 7.477 -1.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.699 7.737 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.308 8.220 -3.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.762 6.737 -3.946 1.00 0.00 H new ATOM 789 N ASN A 389 10.059 1.978 -3.514 1.00 0.00 N ATOM 790 CA ASN A 389 11.211 1.488 -4.282 1.00 0.00 C ATOM 791 C ASN A 389 11.126 -0.038 -4.504 1.00 0.00 C ATOM 792 O ASN A 389 11.355 -0.514 -5.612 1.00 0.00 O ATOM 793 CB ASN A 389 12.514 1.904 -3.575 1.00 0.00 C ATOM 794 CG ASN A 389 13.742 1.522 -4.387 1.00 0.00 C ATOM 795 OD1 ASN A 389 13.984 2.036 -5.470 1.00 0.00 O ATOM 796 ND2 ASN A 389 14.556 0.613 -3.897 1.00 0.00 N ATOM 0 H ASN A 389 10.301 2.332 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 389 11.203 1.942 -5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.509 2.981 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 389 12.564 1.429 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 389 15.387 0.338 -4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 389 14.356 0.183 -2.994 1.00 0.00 H new ATOM 803 N VAL A 390 10.734 -0.798 -3.475 1.00 0.00 N ATOM 804 CA VAL A 390 10.509 -2.258 -3.522 1.00 0.00 C ATOM 805 C VAL A 390 9.393 -2.606 -4.512 1.00 0.00 C ATOM 806 O VAL A 390 9.513 -3.579 -5.253 1.00 0.00 O ATOM 807 CB VAL A 390 10.151 -2.766 -2.110 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.579 -4.189 -2.060 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.364 -2.736 -1.175 1.00 0.00 C ATOM 0 H VAL A 390 10.557 -0.405 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 390 11.423 -2.746 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 390 9.373 -2.075 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.359 -4.456 -1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.663 -4.234 -2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.308 -4.889 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.073 -3.101 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.151 -3.372 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.732 -1.714 -1.089 1.00 0.00 H new ATOM 819 N LEU A 391 8.320 -1.811 -4.564 1.00 0.00 N ATOM 820 CA LEU A 391 7.201 -2.010 -5.486 1.00 0.00 C ATOM 821 C LEU A 391 7.664 -1.766 -6.931 1.00 0.00 C ATOM 822 O LEU A 391 7.514 -2.635 -7.786 1.00 0.00 O ATOM 823 CB LEU A 391 6.032 -1.099 -5.057 1.00 0.00 C ATOM 824 CG LEU A 391 4.638 -1.540 -5.542 1.00 0.00 C ATOM 825 CD1 LEU A 391 3.601 -0.549 -5.020 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.482 -1.603 -7.061 1.00 0.00 C ATOM 0 H LEU A 391 8.204 -0.999 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 391 6.843 -3.039 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.018 -1.043 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 391 6.224 -0.092 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 391 4.498 -2.552 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 391 2.609 -0.850 -5.356 1.00 0.00 H new ATOM 0 HD12 LEU A 391 3.626 -0.536 -3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.826 0.447 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 391 3.470 -1.922 -7.310 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.666 -0.617 -7.487 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.198 -2.315 -7.471 1.00 0.00 H new ATOM 838 N ASN A 392 8.308 -0.625 -7.202 1.00 0.00 N ATOM 839 CA ASN A 392 8.869 -0.321 -8.525 1.00 0.00 C ATOM 840 C ASN A 392 9.894 -1.395 -8.949 1.00 0.00 C ATOM 841 O ASN A 392 9.941 -1.815 -10.110 1.00 0.00 O ATOM 842 CB ASN A 392 9.478 1.090 -8.466 1.00 0.00 C ATOM 843 CG ASN A 392 10.020 1.553 -9.807 1.00 0.00 C ATOM 844 OD1 ASN A 392 11.154 1.284 -10.174 1.00 0.00 O ATOM 845 ND2 ASN A 392 9.234 2.272 -10.578 1.00 0.00 N ATOM 0 H ASN A 392 8.455 0.112 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 392 8.091 -0.338 -9.288 1.00 0.00 H new ATOM 0 HB2 ASN A 392 8.720 1.794 -8.123 1.00 0.00 H new ATOM 0 HB3 ASN A 392 10.282 1.103 -7.730 1.00 0.00 H new ATOM 0 HD21 ASN A 392 9.571 2.605 -11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 392 8.287 2.497 -10.273 1.00 0.00 H new ATOM 852 N HIS A 393 10.666 -1.921 -7.992 1.00 0.00 N ATOM 853 CA HIS A 393 11.550 -3.041 -8.269 1.00 0.00 C ATOM 854 C HIS A 393 10.714 -4.261 -8.654 1.00 0.00 C ATOM 855 O HIS A 393 10.990 -4.842 -9.694 1.00 0.00 O ATOM 856 CB HIS A 393 12.475 -3.348 -7.092 1.00 0.00 C ATOM 857 CG HIS A 393 13.353 -4.538 -7.392 1.00 0.00 C ATOM 858 ND1 HIS A 393 12.984 -5.847 -7.241 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 14.557 -4.535 -8.063 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 13.959 -6.653 -7.845 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 14.897 -5.813 -8.315 1.00 0.00 N flip ATOM 0 H HIS A 393 10.692 -1.587 -7.028 1.00 0.00 H new ATOM 0 HA HIS A 393 12.197 -2.772 -9.104 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.096 -2.478 -6.876 1.00 0.00 H new ATOM 0 HB3 HIS A 393 11.881 -3.545 -6.200 1.00 0.00 H new ATOM 0 HD1 HIS A 393 12.143 -6.180 -6.769 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.128 -3.660 -8.338 1.00 0.00 H new ATOM 0 HE1 HIS A 393 13.957 -7.731 -7.918 1.00 0.00 H new ATOM 869 N MET A 394 9.675 -4.630 -7.887 1.00 0.00 N ATOM 870 CA MET A 394 8.815 -5.773 -8.227 1.00 0.00 C ATOM 871 C MET A 394 8.135 -5.620 -9.598 1.00 0.00 C ATOM 872 O MET A 394 7.835 -6.638 -10.226 1.00 0.00 O ATOM 873 CB MET A 394 7.803 -6.141 -7.121 1.00 0.00 C ATOM 874 CG MET A 394 6.419 -5.470 -7.151 1.00 0.00 C ATOM 875 SD MET A 394 5.058 -6.503 -6.537 1.00 0.00 S ATOM 876 CE MET A 394 5.640 -6.828 -4.855 1.00 0.00 C ATOM 0 H MET A 394 9.411 -4.152 -7.026 1.00 0.00 H new ATOM 0 HA MET A 394 9.496 -6.621 -8.302 1.00 0.00 H new ATOM 0 HB2 MET A 394 7.651 -7.220 -7.154 1.00 0.00 H new ATOM 0 HB3 MET A 394 8.263 -5.913 -6.159 1.00 0.00 H new ATOM 0 HG2 MET A 394 6.460 -4.557 -6.556 1.00 0.00 H new ATOM 0 HG3 MET A 394 6.197 -5.173 -8.176 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.907 -7.440 -4.328 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.592 -7.357 -4.895 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.771 -5.884 -4.327 1.00 0.00 H new ATOM 886 N THR A 395 7.909 -4.386 -10.081 1.00 0.00 N ATOM 887 CA THR A 395 7.338 -4.171 -11.429 1.00 0.00 C ATOM 888 C THR A 395 8.400 -4.410 -12.506 1.00 0.00 C ATOM 889 O THR A 395 8.102 -5.020 -13.537 1.00 0.00 O ATOM 890 CB THR A 395 6.671 -2.799 -11.654 1.00 0.00 C ATOM 891 OG1 THR A 395 7.573 -1.719 -11.618 1.00 0.00 O ATOM 892 CG2 THR A 395 5.568 -2.503 -10.645 1.00 0.00 C ATOM 0 H THR A 395 8.109 -3.528 -9.567 1.00 0.00 H new ATOM 0 HA THR A 395 6.534 -4.903 -11.506 1.00 0.00 H new ATOM 0 HB THR A 395 6.251 -2.885 -12.656 1.00 0.00 H new ATOM 0 HG1 THR A 395 8.315 -1.932 -11.014 1.00 0.00 H new ATOM 0 HG21 THR A 395 5.136 -1.524 -10.854 1.00 0.00 H new ATOM 0 HG22 THR A 395 4.792 -3.265 -10.720 1.00 0.00 H new ATOM 0 HG23 THR A 395 5.985 -2.508 -9.638 1.00 0.00 H new ATOM 900 N HIS A 396 9.646 -3.982 -12.267 1.00 0.00 N ATOM 901 CA HIS A 396 10.777 -4.214 -13.177 1.00 0.00 C ATOM 902 C HIS A 396 11.405 -5.629 -13.068 1.00 0.00 C ATOM 903 O HIS A 396 12.150 -6.043 -13.962 1.00 0.00 O ATOM 904 CB HIS A 396 11.834 -3.122 -12.952 1.00 0.00 C ATOM 905 CG HIS A 396 11.372 -1.757 -13.408 1.00 0.00 C ATOM 906 ND1 HIS A 396 10.422 -0.970 -12.798 1.00 0.00 N ATOM 907 CD2 HIS A 396 11.778 -1.092 -14.534 1.00 0.00 C ATOM 908 CE1 HIS A 396 10.256 0.140 -13.532 1.00 0.00 C ATOM 909 NE2 HIS A 396 11.065 0.116 -14.607 1.00 0.00 N ATOM 0 H HIS A 396 9.901 -3.460 -11.429 1.00 0.00 H new ATOM 0 HA HIS A 396 10.384 -4.162 -14.192 1.00 0.00 H new ATOM 0 HB2 HIS A 396 12.086 -3.080 -11.892 1.00 0.00 H new ATOM 0 HB3 HIS A 396 12.746 -3.389 -13.487 1.00 0.00 H new ATOM 0 HD1 HIS A 396 9.928 -1.193 -11.934 1.00 0.00 H new ATOM 0 HD2 HIS A 396 12.517 -1.436 -15.242 1.00 0.00 H new ATOM 0 HE1 HIS A 396 9.570 0.940 -13.294 1.00 0.00 H new ATOM 917 N CYS A 397 11.137 -6.354 -11.975 1.00 0.00 N ATOM 918 CA CYS A 397 11.656 -7.679 -11.628 1.00 0.00 C ATOM 919 C CYS A 397 11.351 -8.756 -12.688 1.00 0.00 C ATOM 920 O CYS A 397 10.317 -8.718 -13.364 1.00 0.00 O ATOM 921 CB CYS A 397 11.069 -8.057 -10.256 1.00 0.00 C ATOM 922 SG CYS A 397 12.040 -9.334 -9.417 1.00 0.00 S ATOM 0 H CYS A 397 10.504 -6.001 -11.257 1.00 0.00 H new ATOM 0 HA CYS A 397 12.744 -7.633 -11.589 1.00 0.00 H new ATOM 0 HB2 CYS A 397 11.022 -7.168 -9.627 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.046 -8.410 -10.386 1.00 0.00 H new ATOM 0 HG CYS A 397 11.974 -9.155 -8.131 1.00 0.00 H new ATOM 927 N GLN A 398 12.251 -9.740 -12.800 1.00 0.00 N ATOM 928 CA GLN A 398 12.161 -10.860 -13.753 1.00 0.00 C ATOM 929 C GLN A 398 12.413 -12.235 -13.108 1.00 0.00 C ATOM 930 O GLN A 398 12.788 -13.204 -13.774 1.00 0.00 O ATOM 931 CB GLN A 398 13.077 -10.595 -14.967 1.00 0.00 C ATOM 932 CG GLN A 398 12.684 -9.343 -15.770 1.00 0.00 C ATOM 933 CD GLN A 398 13.618 -9.085 -16.955 1.00 0.00 C ATOM 934 OE1 GLN A 398 13.956 -9.968 -17.734 1.00 0.00 O ATOM 935 NE2 GLN A 398 14.074 -7.863 -17.143 1.00 0.00 N ATOM 0 H GLN A 398 13.086 -9.783 -12.216 1.00 0.00 H new ATOM 0 HA GLN A 398 11.131 -10.909 -14.105 1.00 0.00 H new ATOM 0 HB2 GLN A 398 14.105 -10.487 -14.620 1.00 0.00 H new ATOM 0 HB3 GLN A 398 13.053 -11.462 -15.627 1.00 0.00 H new ATOM 0 HG2 GLN A 398 11.663 -9.456 -16.135 1.00 0.00 H new ATOM 0 HG3 GLN A 398 12.692 -8.475 -15.110 1.00 0.00 H new ATOM 0 HE21 GLN A 398 13.804 -7.114 -16.505 1.00 0.00 H new ATOM 0 HE22 GLN A 398 14.697 -7.666 -17.926 1.00 0.00 H new ATOM 944 N ALA A 399 12.165 -12.325 -11.800 1.00 0.00 N ATOM 945 CA ALA A 399 12.260 -13.551 -11.007 1.00 0.00 C ATOM 946 C ALA A 399 11.157 -13.620 -9.948 1.00 0.00 C ATOM 947 O ALA A 399 10.542 -14.670 -9.758 1.00 0.00 O ATOM 948 CB ALA A 399 13.618 -13.609 -10.283 1.00 0.00 C ATOM 0 H ALA A 399 11.883 -11.517 -11.245 1.00 0.00 H new ATOM 0 HA ALA A 399 12.153 -14.389 -11.695 1.00 0.00 H new ATOM 0 HB1 ALA A 399 13.678 -14.525 -9.696 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.423 -13.595 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 399 13.715 -12.748 -9.622 1.00 0.00 H new ATOM 954 N PRO A 400 10.955 -12.504 -9.242 1.00 0.00 N ATOM 955 CA PRO A 400 10.056 -12.332 -8.096 1.00 0.00 C ATOM 956 C PRO A 400 10.404 -13.223 -6.889 1.00 0.00 C ATOM 957 O PRO A 400 10.836 -12.732 -5.850 1.00 0.00 O ATOM 961 N LYS A 401 10.248 -14.543 -7.040 1.00 0.00 N ATOM 962 CA LYS A 401 10.553 -15.589 -6.042 1.00 0.00 C ATOM 963 C LYS A 401 12.043 -15.940 -5.979 1.00 0.00 C ATOM 964 O LYS A 401 12.619 -16.033 -4.896 1.00 0.00 O ATOM 965 CB LYS A 401 9.688 -16.828 -6.343 1.00 0.00 C ATOM 966 CG LYS A 401 9.811 -17.906 -5.254 1.00 0.00 C ATOM 967 CD LYS A 401 8.874 -19.091 -5.534 1.00 0.00 C ATOM 968 CE LYS A 401 9.073 -20.241 -4.535 1.00 0.00 C ATOM 969 NZ LYS A 401 8.624 -19.892 -3.160 1.00 0.00 N ATOM 0 H LYS A 401 9.886 -14.938 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 401 10.309 -15.201 -5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 401 8.645 -16.526 -6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 401 9.984 -17.250 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 401 10.841 -18.258 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 401 9.573 -17.473 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 401 7.839 -18.751 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 401 9.048 -19.457 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 401 8.523 -21.116 -4.881 1.00 0.00 H new ATOM 0 HE3 LYS A 401 10.127 -20.516 -4.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 8.781 -20.702 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 9.166 -19.074 -2.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 7.611 -19.655 -3.175 1.00 0.00 H new ATOM 983 N ALA A 402 12.670 -16.117 -7.145 1.00 0.00 N ATOM 984 CA ALA A 402 14.093 -16.460 -7.279 1.00 0.00 C ATOM 985 C ALA A 402 15.018 -15.243 -7.085 1.00 0.00 C ATOM 986 O ALA A 402 16.232 -15.391 -6.930 1.00 0.00 O ATOM 987 CB ALA A 402 14.306 -17.130 -8.641 1.00 0.00 C ATOM 0 H ALA A 402 12.195 -16.024 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 402 14.364 -17.154 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 402 15.358 -17.391 -8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 402 13.699 -18.033 -8.701 1.00 0.00 H new ATOM 0 HB3 ALA A 402 14.013 -16.442 -9.434 1.00 0.00 H new ATOM 993 N CYS A 403 14.426 -14.044 -7.035 1.00 0.00 N ATOM 994 CA CYS A 403 15.017 -12.737 -6.787 1.00 0.00 C ATOM 995 C CYS A 403 15.224 -12.558 -5.258 1.00 0.00 C ATOM 996 O CYS A 403 14.852 -11.557 -4.651 1.00 0.00 O ATOM 997 CB CYS A 403 14.155 -11.654 -7.432 1.00 0.00 C ATOM 998 SG CYS A 403 14.979 -10.031 -7.342 1.00 0.00 S ATOM 0 H CYS A 403 13.420 -13.965 -7.183 1.00 0.00 H new ATOM 0 HA CYS A 403 16.001 -12.651 -7.247 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.960 -11.910 -8.473 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.189 -11.605 -6.930 1.00 0.00 H new ATOM 0 HG CYS A 403 15.390 -9.820 -6.127 1.00 0.00 H new ATOM 1003 N GLN A 404 15.723 -13.633 -4.647 1.00 0.00 N ATOM 1004 CA GLN A 404 16.051 -13.975 -3.249 1.00 0.00 C ATOM 1005 C GLN A 404 16.452 -12.850 -2.269 1.00 0.00 C ATOM 1006 O GLN A 404 16.514 -13.108 -1.064 1.00 0.00 O ATOM 1007 CB GLN A 404 17.118 -15.087 -3.275 1.00 0.00 C ATOM 1008 CG GLN A 404 16.545 -16.443 -3.720 1.00 0.00 C ATOM 1009 CD GLN A 404 17.640 -17.377 -4.230 1.00 0.00 C ATOM 1010 OE1 GLN A 404 18.226 -18.162 -3.494 1.00 0.00 O ATOM 1011 NE2 GLN A 404 17.964 -17.324 -5.506 1.00 0.00 N ATOM 0 H GLN A 404 15.950 -14.437 -5.232 1.00 0.00 H new ATOM 0 HA GLN A 404 15.099 -14.286 -2.819 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.923 -14.797 -3.950 1.00 0.00 H new ATOM 0 HB3 GLN A 404 17.556 -15.189 -2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 404 16.027 -16.912 -2.883 1.00 0.00 H new ATOM 0 HG3 GLN A 404 15.805 -16.286 -4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 404 17.483 -16.674 -6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 404 18.696 -17.933 -5.872 1.00 0.00 H new ATOM 1020 N VAL A 405 16.692 -11.619 -2.733 1.00 0.00 N ATOM 1021 CA VAL A 405 16.940 -10.433 -1.896 1.00 0.00 C ATOM 1022 C VAL A 405 15.753 -10.305 -0.937 1.00 0.00 C ATOM 1023 O VAL A 405 14.610 -10.230 -1.390 1.00 0.00 O ATOM 1024 CB VAL A 405 17.057 -9.144 -2.739 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.605 -8.001 -1.876 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.980 -9.294 -3.952 1.00 0.00 C ATOM 0 H VAL A 405 16.721 -11.411 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 405 17.884 -10.556 -1.365 1.00 0.00 H new ATOM 0 HB VAL A 405 16.051 -8.931 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.684 -7.096 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.931 -7.822 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.590 -8.272 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 405 18.017 -8.352 -4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.983 -9.558 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.598 -10.079 -4.605 1.00 0.00 H new ATOM 1036 N ALA A 406 16.015 -10.337 0.373 1.00 0.00 N ATOM 1037 CA ALA A 406 15.006 -10.368 1.437 1.00 0.00 C ATOM 1038 C ALA A 406 13.729 -9.555 1.162 1.00 0.00 C ATOM 1039 O ALA A 406 12.630 -10.113 1.082 1.00 0.00 O ATOM 1040 CB ALA A 406 15.682 -9.936 2.742 1.00 0.00 C ATOM 0 H ALA A 406 16.969 -10.342 0.735 1.00 0.00 H new ATOM 0 HA ALA A 406 14.638 -11.392 1.501 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.952 -9.950 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.496 -10.623 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 406 16.079 -8.927 2.629 1.00 0.00 H new ATOM 1046 N HIS A 407 13.882 -8.239 0.993 1.00 0.00 N ATOM 1047 CA HIS A 407 12.761 -7.333 0.750 1.00 0.00 C ATOM 1048 C HIS A 407 11.954 -7.672 -0.511 1.00 0.00 C ATOM 1049 O HIS A 407 10.729 -7.677 -0.428 1.00 0.00 O ATOM 1050 CB HIS A 407 13.226 -5.866 0.764 1.00 0.00 C ATOM 1051 CG HIS A 407 14.350 -5.520 -0.188 1.00 0.00 C ATOM 1052 ND1 HIS A 407 15.663 -5.291 0.163 1.00 0.00 N ATOM 1053 CD2 HIS A 407 14.257 -5.301 -1.539 1.00 0.00 C ATOM 1054 CE1 HIS A 407 16.342 -4.945 -0.943 1.00 0.00 C ATOM 1055 NE2 HIS A 407 15.525 -4.945 -2.013 1.00 0.00 N ATOM 0 H HIS A 407 14.789 -7.773 1.021 1.00 0.00 H new ATOM 0 HA HIS A 407 12.066 -7.477 1.577 1.00 0.00 H new ATOM 0 HB2 HIS A 407 12.371 -5.232 0.531 1.00 0.00 H new ATOM 0 HB3 HIS A 407 13.543 -5.615 1.776 1.00 0.00 H new ATOM 0 HD2 HIS A 407 13.360 -5.388 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 407 17.394 -4.701 -0.970 1.00 0.00 H new ATOM 0 HE2 HIS A 407 15.779 -4.729 -2.977 1.00 0.00 H new ATOM 1063 N CYS A 408 12.586 -7.991 -1.650 1.00 0.00 N ATOM 1064 CA CYS A 408 11.859 -8.293 -2.889 1.00 0.00 C ATOM 1065 C CYS A 408 11.199 -9.681 -2.863 1.00 0.00 C ATOM 1066 O CYS A 408 9.993 -9.784 -3.116 1.00 0.00 O ATOM 1067 CB CYS A 408 12.827 -8.161 -4.077 1.00 0.00 C ATOM 1068 SG CYS A 408 12.004 -8.605 -5.644 1.00 0.00 S ATOM 0 H CYS A 408 13.601 -8.046 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 408 11.044 -7.576 -2.993 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.200 -7.138 -4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.691 -8.807 -3.920 1.00 0.00 H new ATOM 0 HG CYS A 408 12.847 -9.222 -6.417 1.00 0.00 H new ATOM 1073 N ALA A 409 11.952 -10.728 -2.508 1.00 0.00 N ATOM 1074 CA ALA A 409 11.428 -12.089 -2.409 1.00 0.00 C ATOM 1075 C ALA A 409 10.208 -12.134 -1.464 1.00 0.00 C ATOM 1076 O ALA A 409 9.153 -12.673 -1.828 1.00 0.00 O ATOM 1077 CB ALA A 409 12.566 -13.039 -2.014 1.00 0.00 C ATOM 0 H ALA A 409 12.944 -10.652 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 409 11.055 -12.429 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.181 -14.056 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.350 -13.003 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.977 -12.734 -1.052 1.00 0.00 H new ATOM 1083 N SER A 410 10.303 -11.491 -0.289 1.00 0.00 N ATOM 1084 CA SER A 410 9.157 -11.390 0.621 1.00 0.00 C ATOM 1085 C SER A 410 8.048 -10.515 0.031 1.00 0.00 C ATOM 1086 O SER A 410 6.895 -10.929 0.093 1.00 0.00 O ATOM 1087 CB SER A 410 9.560 -10.853 2.000 1.00 0.00 C ATOM 1088 OG SER A 410 10.386 -11.783 2.684 1.00 0.00 O ATOM 0 H SER A 410 11.153 -11.039 0.048 1.00 0.00 H new ATOM 0 HA SER A 410 8.777 -12.404 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.088 -9.906 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.667 -10.650 2.591 1.00 0.00 H new ATOM 0 HG SER A 410 10.632 -11.419 3.560 1.00 0.00 H new ATOM 1094 N SER A 411 8.343 -9.353 -0.577 1.00 0.00 N ATOM 1095 CA SER A 411 7.317 -8.479 -1.183 1.00 0.00 C ATOM 1096 C SER A 411 6.407 -9.247 -2.137 1.00 0.00 C ATOM 1097 O SER A 411 5.181 -9.177 -2.026 1.00 0.00 O ATOM 1098 CB SER A 411 7.935 -7.263 -1.909 1.00 0.00 C ATOM 1099 OG SER A 411 8.395 -7.526 -3.220 1.00 0.00 O ATOM 0 H SER A 411 9.293 -8.992 -0.663 1.00 0.00 H new ATOM 0 HA SER A 411 6.715 -8.107 -0.354 1.00 0.00 H new ATOM 0 HB2 SER A 411 7.191 -6.467 -1.953 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.768 -6.888 -1.315 1.00 0.00 H new ATOM 0 HG SER A 411 8.953 -8.331 -3.215 1.00 0.00 H new ATOM 1105 N ARG A 412 7.002 -10.039 -3.034 1.00 0.00 N ATOM 1106 CA ARG A 412 6.266 -10.879 -3.969 1.00 0.00 C ATOM 1107 C ARG A 412 5.544 -12.003 -3.233 1.00 0.00 C ATOM 1108 O ARG A 412 4.404 -12.271 -3.587 1.00 0.00 O ATOM 1109 CB ARG A 412 7.206 -11.396 -5.066 1.00 0.00 C ATOM 1110 CG ARG A 412 7.382 -10.354 -6.188 1.00 0.00 C ATOM 1111 CD ARG A 412 6.281 -10.437 -7.258 1.00 0.00 C ATOM 1112 NE ARG A 412 6.658 -9.687 -8.479 1.00 0.00 N ATOM 1113 CZ ARG A 412 6.899 -10.171 -9.687 1.00 0.00 C ATOM 1114 NH1 ARG A 412 6.776 -11.437 -9.973 1.00 0.00 N ATOM 1115 NH2 ARG A 412 7.272 -9.384 -10.653 1.00 0.00 N ATOM 0 H ARG A 412 8.015 -10.112 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 412 5.495 -10.284 -4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.177 -11.635 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 412 6.807 -12.320 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.384 -9.355 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.353 -10.497 -6.661 1.00 0.00 H new ATOM 0 HD2 ARG A 412 6.096 -11.481 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 412 5.350 -10.037 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 412 6.742 -8.676 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 412 6.484 -12.097 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 412 6.972 -11.768 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 412 7.381 -8.384 -10.483 1.00 0.00 H new ATOM 0 HH22 ARG A 412 7.455 -9.767 -11.581 1.00 0.00 H new ATOM 1129 N GLN A 413 6.131 -12.611 -2.196 1.00 0.00 N ATOM 1130 CA GLN A 413 5.442 -13.632 -1.389 1.00 0.00 C ATOM 1131 C GLN A 413 4.114 -13.103 -0.795 1.00 0.00 C ATOM 1132 O GLN A 413 3.059 -13.716 -0.990 1.00 0.00 O ATOM 1133 CB GLN A 413 6.380 -14.142 -0.278 1.00 0.00 C ATOM 1134 CG GLN A 413 5.869 -15.448 0.354 1.00 0.00 C ATOM 1135 CD GLN A 413 6.819 -16.024 1.407 1.00 0.00 C ATOM 1136 OE1 GLN A 413 7.639 -15.344 2.010 1.00 0.00 O ATOM 1137 NE2 GLN A 413 6.748 -17.312 1.669 1.00 0.00 N ATOM 0 H GLN A 413 7.085 -12.415 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 413 5.184 -14.463 -2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 413 7.376 -14.304 -0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 413 6.476 -13.379 0.494 1.00 0.00 H new ATOM 0 HG2 GLN A 413 4.897 -15.265 0.813 1.00 0.00 H new ATOM 0 HG3 GLN A 413 5.717 -16.188 -0.431 1.00 0.00 H new ATOM 0 HE21 GLN A 413 6.071 -17.896 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 413 7.370 -17.726 2.364 1.00 0.00 H new ATOM 1146 N ILE A 414 4.137 -11.940 -0.129 1.00 0.00 N ATOM 1147 CA ILE A 414 2.926 -11.311 0.426 1.00 0.00 C ATOM 1148 C ILE A 414 1.906 -10.816 -0.590 1.00 0.00 C ATOM 1149 O ILE A 414 0.713 -11.091 -0.452 1.00 0.00 O ATOM 1150 CB ILE A 414 3.195 -10.260 1.528 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.493 -9.434 1.543 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.709 -10.806 2.877 1.00 0.00 C ATOM 1153 CD1 ILE A 414 5.548 -9.949 2.533 1.00 0.00 C ATOM 0 H ILE A 414 4.991 -11.409 0.041 1.00 0.00 H new ATOM 0 HA ILE A 414 2.447 -12.160 0.913 1.00 0.00 H new ATOM 0 HB ILE A 414 2.590 -9.405 1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 414 4.921 -9.430 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.251 -8.400 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 414 2.897 -10.068 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.640 -11.012 2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.244 -11.726 3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 414 6.433 -9.315 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 414 5.140 -9.926 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 414 5.821 -10.972 2.275 1.00 0.00 H new ATOM 1165 N ILE A 415 2.353 -10.111 -1.622 1.00 0.00 N ATOM 1166 CA ILE A 415 1.438 -9.634 -2.667 1.00 0.00 C ATOM 1167 C ILE A 415 0.854 -10.811 -3.470 1.00 0.00 C ATOM 1168 O ILE A 415 -0.323 -10.786 -3.825 1.00 0.00 O ATOM 1169 CB ILE A 415 2.131 -8.510 -3.459 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.740 -7.163 -2.798 1.00 0.00 C ATOM 1171 CG2 ILE A 415 1.830 -8.569 -4.960 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.313 -5.912 -3.475 1.00 0.00 C ATOM 0 H ILE A 415 3.331 -9.856 -1.763 1.00 0.00 H new ATOM 0 HA ILE A 415 0.544 -9.171 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 415 3.213 -8.631 -3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.653 -7.084 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.070 -7.177 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.345 -7.753 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.175 -9.521 -5.363 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.756 -8.475 -5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.982 -5.023 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.402 -5.958 -3.463 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.963 -5.864 -4.506 1.00 0.00 H new ATOM 1184 N SER A 416 1.619 -11.887 -3.677 1.00 0.00 N ATOM 1185 CA SER A 416 1.143 -13.121 -4.310 1.00 0.00 C ATOM 1186 C SER A 416 0.102 -13.811 -3.424 1.00 0.00 C ATOM 1187 O SER A 416 -0.904 -14.283 -3.955 1.00 0.00 O ATOM 1188 CB SER A 416 2.287 -14.064 -4.637 1.00 0.00 C ATOM 1189 OG SER A 416 1.809 -15.241 -5.265 1.00 0.00 O ATOM 0 H SER A 416 2.601 -11.926 -3.405 1.00 0.00 H new ATOM 0 HA SER A 416 0.670 -12.848 -5.253 1.00 0.00 H new ATOM 0 HB2 SER A 416 3.001 -13.563 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.820 -14.326 -3.723 1.00 0.00 H new ATOM 0 HG SER A 416 2.563 -15.833 -5.468 1.00 0.00 H new ATOM 1195 N HIS A 417 0.275 -13.818 -2.088 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.771 -14.316 -1.181 1.00 0.00 C ATOM 1197 C HIS A 417 -2.044 -13.490 -1.408 1.00 0.00 C ATOM 1198 O HIS A 417 -3.090 -14.060 -1.700 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.350 -14.265 0.305 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.412 -14.783 1.265 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -2.665 -14.261 1.490 1.00 0.00 N flip ATOM 1202 CD2 HIS A 417 -1.319 -15.914 2.048 1.00 0.00 C flip ATOM 1203 CE1 HIS A 417 -3.353 -15.110 2.365 1.00 0.00 C flip ATOM 1204 NE2 HIS A 417 -2.490 -16.088 2.689 1.00 0.00 N flip ATOM 0 H HIS A 417 1.119 -13.488 -1.620 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.949 -15.367 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.560 -14.851 0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 417 -0.107 -13.236 0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -0.452 -16.553 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -4.371 -15.001 2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 417 -2.694 -16.854 3.330 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.966 -12.155 -1.321 1.00 0.00 N ATOM 1213 CA TRP A 418 -3.126 -11.274 -1.518 1.00 0.00 C ATOM 1214 C TRP A 418 -3.828 -11.491 -2.872 1.00 0.00 C ATOM 1215 O TRP A 418 -5.059 -11.438 -2.945 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.707 -9.812 -1.325 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.829 -8.868 -1.002 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.641 -8.963 0.076 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -4.276 -7.680 -1.730 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.564 -7.935 0.062 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -5.378 -7.106 -1.022 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.862 -7.023 -2.911 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -6.031 -5.944 -1.459 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.509 -5.851 -3.355 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.589 -5.312 -2.632 1.00 0.00 C ATOM 0 H TRP A 418 -1.101 -11.657 -1.113 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.867 -11.535 -0.762 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.970 -9.764 -0.524 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -2.213 -9.468 -2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.577 -9.729 0.835 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -6.291 -7.806 0.766 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -3.038 -7.424 -3.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.863 -5.541 -0.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -4.172 -5.363 -4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -6.077 -4.413 -2.979 1.00 0.00 H new ATOM 1236 N LYS A 419 -3.062 -11.781 -3.937 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.600 -12.080 -5.279 1.00 0.00 C ATOM 1238 C LYS A 419 -4.296 -13.448 -5.355 1.00 0.00 C ATOM 1239 O LYS A 419 -5.416 -13.543 -5.858 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.453 -12.032 -6.307 1.00 0.00 C ATOM 1241 CG LYS A 419 -2.017 -10.602 -6.655 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.709 -10.632 -7.464 1.00 0.00 C ATOM 1243 CE LYS A 419 -0.218 -9.232 -7.837 1.00 0.00 C ATOM 1244 NZ LYS A 419 -1.102 -8.554 -8.824 1.00 0.00 N ATOM 0 H LYS A 419 -2.044 -11.815 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 419 -4.354 -11.325 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.597 -12.581 -5.914 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -2.768 -12.542 -7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -2.798 -10.105 -7.230 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -1.876 -10.024 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 419 0.061 -11.141 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -0.861 -11.214 -8.373 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -0.153 -8.623 -6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 419 0.789 -9.303 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -0.722 -7.610 -9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -1.145 -9.118 -9.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -2.058 -8.459 -8.426 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.621 -14.508 -4.905 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.089 -15.899 -4.980 1.00 0.00 C ATOM 1260 C ASN A 420 -5.106 -16.345 -3.910 1.00 0.00 C ATOM 1261 O ASN A 420 -5.833 -17.311 -4.150 1.00 0.00 O ATOM 1262 CB ASN A 420 -2.863 -16.828 -4.987 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.087 -16.740 -6.291 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -2.499 -17.259 -7.320 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -0.954 -16.079 -6.309 1.00 0.00 N ATOM 0 H ASN A 420 -2.705 -14.422 -4.464 1.00 0.00 H new ATOM 0 HA ASN A 420 -4.660 -15.966 -5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.207 -16.568 -4.157 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.187 -17.856 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -0.423 -16.000 -7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -0.604 -15.644 -5.456 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.143 -15.704 -2.736 1.00 0.00 N ATOM 1273 CA CYS A 421 -5.996 -16.073 -1.604 1.00 0.00 C ATOM 1274 C CYS A 421 -7.493 -16.166 -1.962 1.00 0.00 C ATOM 1275 O CYS A 421 -8.164 -15.164 -2.238 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.721 -15.127 -0.430 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.593 -15.686 1.059 1.00 0.00 S ATOM 0 H CYS A 421 -4.561 -14.889 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 421 -5.734 -17.088 -1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.649 -15.083 -0.235 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -6.040 -14.117 -0.687 1.00 0.00 H new ATOM 0 HG CYS A 421 -7.869 -15.748 0.817 1.00 0.00 H new ATOM 1282 N THR A 422 -8.006 -17.397 -1.951 1.00 0.00 N ATOM 1283 CA THR A 422 -9.410 -17.734 -2.231 1.00 0.00 C ATOM 1284 C THR A 422 -10.324 -17.518 -1.021 1.00 0.00 C ATOM 1285 O THR A 422 -11.544 -17.433 -1.191 1.00 0.00 O ATOM 1286 CB THR A 422 -9.540 -19.204 -2.667 1.00 0.00 C ATOM 1287 OG1 THR A 422 -8.923 -20.053 -1.717 1.00 0.00 O ATOM 1288 CG2 THR A 422 -8.872 -19.464 -4.018 1.00 0.00 C ATOM 0 H THR A 422 -7.439 -18.218 -1.740 1.00 0.00 H new ATOM 0 HA THR A 422 -9.724 -17.063 -3.031 1.00 0.00 H new ATOM 0 HB THR A 422 -10.607 -19.411 -2.746 1.00 0.00 H new ATOM 0 HG1 THR A 422 -9.014 -20.986 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 422 -8.989 -20.514 -4.285 1.00 0.00 H new ATOM 0 HG22 THR A 422 -9.339 -18.841 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 422 -7.811 -19.222 -3.952 1.00 0.00 H new ATOM 1296 N ARG A 423 -9.766 -17.420 0.197 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.528 -17.223 1.439 1.00 0.00 C ATOM 1298 C ARG A 423 -11.255 -15.872 1.444 1.00 0.00 C ATOM 1299 O ARG A 423 -10.645 -14.805 1.367 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.622 -17.408 2.675 1.00 0.00 C ATOM 1301 CG ARG A 423 -10.473 -17.416 3.954 1.00 0.00 C ATOM 1302 CD ARG A 423 -9.683 -17.636 5.245 1.00 0.00 C ATOM 1303 NE ARG A 423 -10.575 -17.424 6.400 1.00 0.00 N ATOM 1304 CZ ARG A 423 -10.276 -17.481 7.682 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -9.097 -17.846 8.105 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -11.176 -17.174 8.570 1.00 0.00 N ATOM 0 H ARG A 423 -8.759 -17.476 0.347 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.301 -17.990 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -9.066 -18.342 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -8.888 -16.604 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -11.005 -16.467 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -11.227 -18.198 3.868 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -9.273 -18.646 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -8.839 -16.948 5.291 1.00 0.00 H new ATOM 0 HE ARG A 423 -11.546 -17.206 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -8.371 -18.099 7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -8.902 -17.878 9.106 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -12.110 -16.890 8.273 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -10.948 -17.217 9.563 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.578 -15.940 1.558 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.517 -14.817 1.604 1.00 0.00 C ATOM 1322 C HIS A 424 -13.380 -13.910 2.849 1.00 0.00 C ATOM 1323 O HIS A 424 -14.053 -12.884 2.929 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.952 -15.366 1.507 1.00 0.00 C ATOM 1325 CG HIS A 424 -15.180 -16.385 0.413 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.672 -16.359 -0.869 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -15.913 -17.537 0.527 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -15.076 -17.471 -1.505 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -15.844 -18.223 -0.694 1.00 0.00 N ATOM 0 H HIS A 424 -13.057 -16.838 1.625 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.275 -14.176 0.756 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.216 -15.818 2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -15.634 -14.530 1.350 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -16.451 -17.861 1.406 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -14.821 -17.726 -2.523 1.00 0.00 H new ATOM 0 HE2 HIS A 424 -16.287 -19.113 -0.922 1.00 0.00 H new ATOM 1337 N ASP A 425 -12.590 -14.320 3.849 1.00 0.00 N ATOM 1338 CA ASP A 425 -12.433 -13.689 5.163 1.00 0.00 C ATOM 1339 C ASP A 425 -11.032 -13.884 5.782 1.00 0.00 C ATOM 1340 O ASP A 425 -10.909 -14.268 6.947 1.00 0.00 O ATOM 1341 CB ASP A 425 -13.574 -14.154 6.092 1.00 0.00 C ATOM 1342 CG ASP A 425 -13.453 -15.625 6.547 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -13.183 -16.520 5.714 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -13.578 -15.906 7.763 1.00 0.00 O ATOM 0 H ASP A 425 -12.008 -15.152 3.755 1.00 0.00 H new ATOM 0 HA ASP A 425 -12.510 -12.610 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -13.596 -13.512 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -14.525 -14.021 5.577 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.958 -13.624 5.021 1.00 0.00 N ATOM 1350 CA CYS A 426 -8.601 -13.806 5.552 1.00 0.00 C ATOM 1351 C CYS A 426 -8.273 -12.672 6.562 1.00 0.00 C ATOM 1352 O CYS A 426 -8.719 -11.538 6.348 1.00 0.00 O ATOM 1353 CB CYS A 426 -7.640 -13.870 4.365 1.00 0.00 C ATOM 1354 SG CYS A 426 -6.182 -14.905 4.706 1.00 0.00 S ATOM 0 H CYS A 426 -10.001 -13.294 4.057 1.00 0.00 H new ATOM 0 HA CYS A 426 -8.504 -14.737 6.111 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -8.167 -14.264 3.496 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -7.314 -12.861 4.110 1.00 0.00 H new ATOM 0 HG CYS A 426 -5.102 -14.244 4.412 1.00 0.00 H new ATOM 1359 N PRO A 427 -7.502 -12.927 7.643 1.00 0.00 N ATOM 1360 CA PRO A 427 -7.128 -11.947 8.677 1.00 0.00 C ATOM 1361 C PRO A 427 -6.444 -10.659 8.191 1.00 0.00 C ATOM 1362 O PRO A 427 -6.280 -9.720 8.971 1.00 0.00 O ATOM 1363 CB PRO A 427 -6.181 -12.686 9.632 1.00 0.00 C ATOM 1364 CG PRO A 427 -6.523 -14.156 9.434 1.00 0.00 C ATOM 1365 CD PRO A 427 -6.913 -14.214 7.961 1.00 0.00 C ATOM 0 HA PRO A 427 -8.054 -11.593 9.130 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -5.137 -12.484 9.393 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -6.337 -12.377 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -5.673 -14.803 9.654 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -7.340 -14.472 10.082 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -6.041 -14.408 7.336 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -7.622 -15.022 7.778 1.00 0.00 H new ATOM 1373 N VAL A 428 -6.017 -10.623 6.924 1.00 0.00 N ATOM 1374 CA VAL A 428 -5.301 -9.506 6.290 1.00 0.00 C ATOM 1375 C VAL A 428 -5.943 -9.117 4.953 1.00 0.00 C ATOM 1376 O VAL A 428 -6.204 -7.929 4.713 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.834 -9.905 6.079 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -3.068 -8.677 5.585 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -3.150 -10.424 7.344 1.00 0.00 C ATOM 0 H VAL A 428 -6.166 -11.403 6.284 1.00 0.00 H new ATOM 0 HA VAL A 428 -5.358 -8.637 6.946 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.826 -10.720 5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -2.022 -8.939 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.500 -8.332 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -3.136 -7.883 6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -2.117 -10.686 7.117 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -3.168 -9.650 8.111 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -3.677 -11.307 7.707 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.259 -10.112 4.115 1.00 0.00 N ATOM 1390 CA CYS A 429 -6.988 -9.928 2.869 1.00 0.00 C ATOM 1391 C CYS A 429 -8.313 -9.192 3.031 1.00 0.00 C ATOM 1392 O CYS A 429 -8.463 -8.151 2.402 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.075 -11.221 2.036 1.00 0.00 C ATOM 1394 SG CYS A 429 -5.621 -12.292 2.295 1.00 0.00 S ATOM 0 H CYS A 429 -6.007 -11.084 4.294 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.386 -9.244 2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -7.980 -11.766 2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -7.156 -10.968 0.979 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.891 -13.497 1.888 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.245 -9.659 3.871 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.516 -8.963 4.067 1.00 0.00 C ATOM 1401 C LEU A 430 -10.357 -7.490 4.494 1.00 0.00 C ATOM 1402 O LEU A 430 -10.905 -6.624 3.807 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.445 -9.748 4.991 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.779 -10.179 4.363 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -13.779 -10.476 5.490 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -13.485 -9.226 3.402 1.00 0.00 C ATOM 0 H LEU A 430 -9.141 -10.511 4.422 1.00 0.00 H new ATOM 0 HA LEU A 430 -10.993 -8.918 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.920 -10.638 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.655 -9.140 5.871 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.486 -11.030 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -14.732 -10.784 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -13.390 -11.276 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -13.926 -9.579 6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -14.410 -9.683 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -13.714 -8.293 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -12.836 -9.020 2.551 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.591 -7.169 5.562 1.00 0.00 N ATOM 1419 CA PRO A 431 -9.291 -5.788 5.934 1.00 0.00 C ATOM 1420 C PRO A 431 -8.826 -4.926 4.759 1.00 0.00 C ATOM 1421 O PRO A 431 -9.405 -3.872 4.496 1.00 0.00 O ATOM 1422 CB PRO A 431 -8.161 -5.891 6.957 1.00 0.00 C ATOM 1423 CG PRO A 431 -8.455 -7.208 7.660 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.936 -8.078 6.500 1.00 0.00 C ATOM 0 HA PRO A 431 -10.192 -5.306 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -7.182 -5.899 6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -8.168 -5.052 7.652 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -7.569 -7.621 8.142 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -9.216 -7.099 8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -8.101 -8.593 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -9.628 -8.845 6.848 1.00 0.00 H new ATOM 1432 N LEU A 432 -7.786 -5.369 4.044 1.00 0.00 N ATOM 1433 CA LEU A 432 -7.225 -4.605 2.924 1.00 0.00 C ATOM 1434 C LEU A 432 -8.159 -4.526 1.720 1.00 0.00 C ATOM 1435 O LEU A 432 -8.130 -3.544 0.979 1.00 0.00 O ATOM 1436 CB LEU A 432 -5.896 -5.225 2.498 1.00 0.00 C ATOM 1437 CG LEU A 432 -4.763 -4.566 3.305 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -3.576 -5.525 3.359 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -4.364 -3.197 2.740 1.00 0.00 C ATOM 0 H LEU A 432 -7.314 -6.256 4.222 1.00 0.00 H new ATOM 0 HA LEU A 432 -7.080 -3.585 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -5.908 -6.301 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -5.735 -5.077 1.430 1.00 0.00 H new ATOM 0 HG LEU A 432 -5.119 -4.373 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -2.766 -5.070 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -3.881 -6.454 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -3.233 -5.737 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -3.562 -2.774 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -4.021 -3.314 1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -5.225 -2.529 2.762 1.00 0.00 H new