USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=22 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 : no HE2:sc= -0.446 X(o=-2.1,f=-2.3) USER MOD Set 1.2: A 421 CYS SG : rot -56:sc= 0.426 USER MOD Set 1.3: A 426 CYS SG : rot -170:sc= -0.706 USER MOD Set 1.4: A 429 CYS SG : rot 172:sc= -1.42! USER MOD Set 2.1: A 393 HIS :FLIP no HD1:sc= -0.171 F(o=-2.1,f=-0.087) USER MOD Set 2.2: A 397 CYS SG : rot 149:sc= -0.145 USER MOD Set 2.3: A 403 CYS SG : rot 130:sc= -0.234 USER MOD Set 2.4: A 408 CYS SG : rot 121:sc= 0.464 USER MOD Set 3.1: A 394 MET CE :methyl -177:sc= -0.198 (180deg=-0.174) USER MOD Set 3.2: A 411 SER OG : rot -170:sc= -0.147 USER MOD Set 4.1: A 356 GLN : amide:sc= 0.996 K(o=0.82,f=-0.34) USER MOD Set 4.2: A 387 MET CE :methyl 163:sc= -0.179 (180deg=-0.345) USER MOD Set 5.1: A 362 HIS :FLIP no HD1:sc= 0.493 F(o=-4.2,f=-0.15) USER MOD Set 5.2: A 366 CYS SG : rot -152:sc= -0.246 USER MOD Set 5.3: A 384 CYS SG : rot 94:sc= -1.25 USER MOD Set 5.4: A 388 LYS NZ :NH3+ -176:sc= 0.844 (180deg=0.41) USER MOD Single : A 349 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.11) USER MOD Single : A 351 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 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 367 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 371 GLN : amide:sc= 0.31 X(o=0.31,f=0) USER MOD Single : A 383 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 389 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 392 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 395 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 HIS : no HD1:sc=-0.00477 X(o=-0.0048,f=-0.0048) USER MOD Single : A 398 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 404 GLN : amide:sc= -0.0242 X(o=-0.024,f=-0.029) USER MOD Single : A 407 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 410 SER OG : rot 93:sc= 0.00184 USER MOD Single : A 413 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD Single : A 419 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00246) USER MOD Single : A 420 ASN : amide:sc= 0.992 K(o=0.99,f=0) USER MOD Single : A 422 THR OG1 : rot 180:sc= 0.216 USER MOD Single : A 424 HIS : no HD1:sc= -0.0335 X(o=-0.033,f=0) USER MOD ----------------------------------------------------------------- ATOM 84 N PRO A 347 4.121 -15.897 15.698 1.00 0.00 N ATOM 85 CA PRO A 347 3.501 -14.572 15.675 1.00 0.00 C ATOM 86 C PRO A 347 4.336 -13.463 15.030 1.00 0.00 C ATOM 87 O PRO A 347 3.765 -12.592 14.389 1.00 0.00 O ATOM 88 CB PRO A 347 3.167 -14.238 17.133 1.00 0.00 C ATOM 89 CG PRO A 347 3.007 -15.611 17.779 1.00 0.00 C ATOM 90 CD PRO A 347 4.042 -16.453 17.038 1.00 0.00 C ATOM 0 HA PRO A 347 2.620 -14.615 15.035 1.00 0.00 H new ATOM 0 HB2 PRO A 347 3.962 -13.661 17.606 1.00 0.00 H new ATOM 0 HB3 PRO A 347 2.254 -13.647 17.212 1.00 0.00 H new ATOM 0 HG2 PRO A 347 3.203 -15.580 18.851 1.00 0.00 H new ATOM 0 HG3 PRO A 347 1.998 -16.004 17.651 1.00 0.00 H new ATOM 0 HD2 PRO A 347 5.010 -16.410 17.537 1.00 0.00 H new ATOM 0 HD3 PRO A 347 3.745 -17.501 17.009 1.00 0.00 H new ATOM 98 N GLU A 348 5.667 -13.496 15.125 1.00 0.00 N ATOM 99 CA GLU A 348 6.555 -12.513 14.480 1.00 0.00 C ATOM 100 C GLU A 348 6.337 -12.483 12.969 1.00 0.00 C ATOM 101 O GLU A 348 6.279 -11.413 12.368 1.00 0.00 O ATOM 102 CB GLU A 348 8.013 -12.847 14.806 1.00 0.00 C ATOM 103 CG GLU A 348 9.047 -11.933 14.133 1.00 0.00 C ATOM 104 CD GLU A 348 10.463 -12.503 14.308 1.00 0.00 C ATOM 105 OE1 GLU A 348 10.787 -13.502 13.617 1.00 0.00 O ATOM 106 OE2 GLU A 348 11.254 -11.963 15.119 1.00 0.00 O ATOM 0 H GLU A 348 6.168 -14.209 15.655 1.00 0.00 H new ATOM 0 HA GLU A 348 6.318 -11.522 14.868 1.00 0.00 H new ATOM 0 HB2 GLU A 348 8.151 -12.795 15.886 1.00 0.00 H new ATOM 0 HB3 GLU A 348 8.211 -13.877 14.509 1.00 0.00 H new ATOM 0 HG2 GLU A 348 8.817 -11.833 13.072 1.00 0.00 H new ATOM 0 HG3 GLU A 348 8.995 -10.934 14.566 1.00 0.00 H new ATOM 113 N LYS A 349 6.132 -13.655 12.362 1.00 0.00 N ATOM 114 CA LYS A 349 5.813 -13.744 10.938 1.00 0.00 C ATOM 115 C LYS A 349 4.469 -13.056 10.711 1.00 0.00 C ATOM 116 O LYS A 349 4.408 -12.143 9.908 1.00 0.00 O ATOM 117 CB LYS A 349 5.889 -15.206 10.459 1.00 0.00 C ATOM 118 CG LYS A 349 7.209 -15.509 9.721 1.00 0.00 C ATOM 119 CD LYS A 349 8.509 -15.231 10.501 1.00 0.00 C ATOM 120 CE LYS A 349 8.577 -16.052 11.791 1.00 0.00 C ATOM 121 NZ LYS A 349 9.870 -15.900 12.505 1.00 0.00 N ATOM 0 H LYS A 349 6.182 -14.556 12.837 1.00 0.00 H new ATOM 0 HA LYS A 349 6.545 -13.221 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 349 5.792 -15.873 11.316 1.00 0.00 H new ATOM 0 HB3 LYS A 349 5.048 -15.414 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 349 7.204 -16.559 9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 349 7.229 -14.922 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 349 9.368 -15.466 9.873 1.00 0.00 H new ATOM 0 HD3 LYS A 349 8.571 -14.169 10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 349 7.765 -15.749 12.452 1.00 0.00 H new ATOM 0 HE3 LYS A 349 8.420 -17.104 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 349 9.892 -16.541 13.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 349 10.652 -16.134 11.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 349 9.973 -14.918 12.832 1.00 0.00 H new ATOM 135 N ARG A 350 3.426 -13.388 11.477 1.00 0.00 N ATOM 136 CA ARG A 350 2.097 -12.730 11.432 1.00 0.00 C ATOM 137 C ARG A 350 2.186 -11.199 11.398 1.00 0.00 C ATOM 138 O ARG A 350 1.802 -10.604 10.388 1.00 0.00 O ATOM 139 CB ARG A 350 1.172 -13.237 12.570 1.00 0.00 C ATOM 140 CG ARG A 350 1.188 -14.757 12.823 1.00 0.00 C ATOM 141 CD ARG A 350 0.664 -15.585 11.654 1.00 0.00 C ATOM 142 NE ARG A 350 -0.809 -15.560 11.584 1.00 0.00 N ATOM 143 CZ ARG A 350 -1.643 -16.445 12.107 1.00 0.00 C ATOM 144 NH1 ARG A 350 -1.242 -17.548 12.679 1.00 0.00 N ATOM 145 NH2 ARG A 350 -2.927 -16.232 12.067 1.00 0.00 N ATOM 0 H ARG A 350 3.473 -14.139 12.166 1.00 0.00 H new ATOM 0 HA ARG A 350 1.641 -13.021 10.486 1.00 0.00 H new ATOM 0 HB2 ARG A 350 1.454 -12.731 13.494 1.00 0.00 H new ATOM 0 HB3 ARG A 350 0.149 -12.937 12.342 1.00 0.00 H new ATOM 0 HG2 ARG A 350 2.209 -15.067 13.046 1.00 0.00 H new ATOM 0 HG3 ARG A 350 0.588 -14.974 13.707 1.00 0.00 H new ATOM 0 HD2 ARG A 350 1.079 -15.202 10.722 1.00 0.00 H new ATOM 0 HD3 ARG A 350 1.006 -16.615 11.756 1.00 0.00 H new ATOM 0 HE ARG A 350 -1.229 -14.779 11.080 1.00 0.00 H new ATOM 0 HH11 ARG A 350 -0.246 -17.759 12.738 1.00 0.00 H new ATOM 0 HH12 ARG A 350 -1.925 -18.199 13.067 1.00 0.00 H new ATOM 0 HH21 ARG A 350 -3.290 -15.383 11.633 1.00 0.00 H new ATOM 0 HH22 ARG A 350 -3.570 -16.914 12.470 1.00 0.00 H new ATOM 159 N LYS A 351 2.707 -10.572 12.462 1.00 0.00 N ATOM 160 CA LYS A 351 2.846 -9.100 12.587 1.00 0.00 C ATOM 161 C LYS A 351 3.770 -8.480 11.539 1.00 0.00 C ATOM 162 O LYS A 351 3.322 -7.595 10.809 1.00 0.00 O ATOM 163 CB LYS A 351 3.234 -8.624 14.008 1.00 0.00 C ATOM 164 CG LYS A 351 3.922 -9.673 14.883 1.00 0.00 C ATOM 165 CD LYS A 351 4.592 -9.089 16.132 1.00 0.00 C ATOM 166 CE LYS A 351 4.784 -10.169 17.205 1.00 0.00 C ATOM 167 NZ LYS A 351 5.437 -9.616 18.421 1.00 0.00 N ATOM 0 H LYS A 351 3.052 -11.076 13.279 1.00 0.00 H new ATOM 0 HA LYS A 351 1.839 -8.731 12.391 1.00 0.00 H new ATOM 0 HB2 LYS A 351 3.894 -7.761 13.917 1.00 0.00 H new ATOM 0 HB3 LYS A 351 2.333 -8.284 14.518 1.00 0.00 H new ATOM 0 HG2 LYS A 351 3.186 -10.417 15.190 1.00 0.00 H new ATOM 0 HG3 LYS A 351 4.673 -10.194 14.288 1.00 0.00 H new ATOM 0 HD2 LYS A 351 5.558 -8.660 15.865 1.00 0.00 H new ATOM 0 HD3 LYS A 351 3.983 -8.278 16.531 1.00 0.00 H new ATOM 0 HE2 LYS A 351 3.817 -10.595 17.472 1.00 0.00 H new ATOM 0 HE3 LYS A 351 5.390 -10.981 16.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 351 5.552 -10.371 19.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 351 6.370 -9.232 18.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 351 4.846 -8.858 18.818 1.00 0.00 H new ATOM 181 N LEU A 352 5.029 -8.916 11.421 1.00 0.00 N ATOM 182 CA LEU A 352 5.911 -8.338 10.405 1.00 0.00 C ATOM 183 C LEU A 352 5.496 -8.590 8.947 1.00 0.00 C ATOM 184 O LEU A 352 5.543 -7.642 8.166 1.00 0.00 O ATOM 185 CB LEU A 352 7.409 -8.501 10.725 1.00 0.00 C ATOM 186 CG LEU A 352 7.838 -8.533 12.208 1.00 0.00 C ATOM 187 CD1 LEU A 352 9.345 -8.771 12.310 1.00 0.00 C ATOM 188 CD2 LEU A 352 7.529 -7.198 12.890 1.00 0.00 C ATOM 0 H LEU A 352 5.449 -9.645 11.998 1.00 0.00 H new ATOM 0 HA LEU A 352 5.749 -7.263 10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 352 7.750 -9.426 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 352 7.944 -7.684 10.241 1.00 0.00 H new ATOM 0 HG LEU A 352 7.287 -9.337 12.696 1.00 0.00 H new ATOM 0 HD11 LEU A 352 9.640 -8.792 13.359 1.00 0.00 H new ATOM 0 HD12 LEU A 352 9.595 -9.724 11.843 1.00 0.00 H new ATOM 0 HD13 LEU A 352 9.876 -7.967 11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 352 7.839 -7.242 13.934 1.00 0.00 H new ATOM 0 HD22 LEU A 352 8.069 -6.398 12.385 1.00 0.00 H new ATOM 0 HD23 LEU A 352 6.458 -7.002 12.838 1.00 0.00 H new ATOM 200 N ILE A 353 5.024 -9.783 8.563 1.00 0.00 N ATOM 201 CA ILE A 353 4.571 -10.064 7.184 1.00 0.00 C ATOM 202 C ILE A 353 3.341 -9.226 6.825 1.00 0.00 C ATOM 203 O ILE A 353 3.317 -8.603 5.756 1.00 0.00 O ATOM 204 CB ILE A 353 4.376 -11.583 6.942 1.00 0.00 C ATOM 205 CG1 ILE A 353 4.924 -12.002 5.567 1.00 0.00 C ATOM 206 CG2 ILE A 353 2.940 -12.110 7.154 1.00 0.00 C ATOM 207 CD1 ILE A 353 4.985 -13.529 5.405 1.00 0.00 C ATOM 0 H ILE A 353 4.943 -10.581 9.193 1.00 0.00 H new ATOM 0 HA ILE A 353 5.360 -9.757 6.497 1.00 0.00 H new ATOM 0 HB ILE A 353 4.962 -12.062 7.727 1.00 0.00 H new ATOM 0 HG12 ILE A 353 4.294 -11.580 4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 353 5.922 -11.584 5.433 1.00 0.00 H new ATOM 0 HG21 ILE A 353 2.913 -13.182 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 353 2.631 -11.920 8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 353 2.261 -11.600 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 353 5.378 -13.775 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 353 5.636 -13.950 6.171 1.00 0.00 H new ATOM 0 HD13 ILE A 353 3.984 -13.946 5.511 1.00 0.00 H new ATOM 219 N GLN A 354 2.349 -9.147 7.730 1.00 0.00 N ATOM 220 CA GLN A 354 1.182 -8.290 7.470 1.00 0.00 C ATOM 221 C GLN A 354 1.591 -6.817 7.376 1.00 0.00 C ATOM 222 O GLN A 354 1.069 -6.098 6.528 1.00 0.00 O ATOM 223 CB GLN A 354 0.022 -8.507 8.455 1.00 0.00 C ATOM 224 CG GLN A 354 0.188 -7.909 9.856 1.00 0.00 C ATOM 225 CD GLN A 354 -1.049 -8.156 10.713 1.00 0.00 C ATOM 226 OE1 GLN A 354 -1.873 -7.279 10.941 1.00 0.00 O ATOM 227 NE2 GLN A 354 -1.231 -9.362 11.209 1.00 0.00 N ATOM 0 H GLN A 354 2.330 -9.648 8.618 1.00 0.00 H new ATOM 0 HA GLN A 354 0.790 -8.595 6.500 1.00 0.00 H new ATOM 0 HB2 GLN A 354 -0.883 -8.090 8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 354 -0.139 -9.580 8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 354 1.061 -8.346 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 354 0.371 -6.837 9.777 1.00 0.00 H new ATOM 0 HE21 GLN A 354 -0.549 -10.098 11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 354 -2.054 -9.560 11.779 1.00 0.00 H new ATOM 236 N GLN A 355 2.556 -6.371 8.193 1.00 0.00 N ATOM 237 CA GLN A 355 3.077 -5.007 8.126 1.00 0.00 C ATOM 238 C GLN A 355 3.701 -4.727 6.747 1.00 0.00 C ATOM 239 O GLN A 355 3.365 -3.704 6.155 1.00 0.00 O ATOM 240 CB GLN A 355 4.011 -4.753 9.304 1.00 0.00 C ATOM 241 CG GLN A 355 4.733 -3.399 9.268 1.00 0.00 C ATOM 242 CD GLN A 355 5.651 -3.228 10.477 1.00 0.00 C ATOM 243 OE1 GLN A 355 6.664 -3.900 10.623 1.00 0.00 O ATOM 244 NE2 GLN A 355 5.343 -2.331 11.391 1.00 0.00 N ATOM 0 H GLN A 355 2.992 -6.946 8.914 1.00 0.00 H new ATOM 0 HA GLN A 355 2.263 -4.288 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 355 3.436 -4.818 10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 355 4.757 -5.547 9.337 1.00 0.00 H new ATOM 0 HG2 GLN A 355 5.317 -3.320 8.351 1.00 0.00 H new ATOM 0 HG3 GLN A 355 3.999 -2.593 9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 355 4.503 -1.763 11.285 1.00 0.00 H new ATOM 0 HE22 GLN A 355 5.945 -2.205 12.205 1.00 0.00 H new ATOM 253 N GLN A 356 4.511 -5.635 6.173 1.00 0.00 N ATOM 254 CA GLN A 356 4.967 -5.461 4.787 1.00 0.00 C ATOM 255 C GLN A 356 3.833 -5.354 3.775 1.00 0.00 C ATOM 256 O GLN A 356 3.833 -4.435 2.967 1.00 0.00 O ATOM 257 CB GLN A 356 5.942 -6.533 4.301 1.00 0.00 C ATOM 258 CG GLN A 356 6.900 -7.227 5.269 1.00 0.00 C ATOM 259 CD GLN A 356 7.829 -6.233 5.967 1.00 0.00 C ATOM 260 OE1 GLN A 356 8.695 -5.619 5.358 1.00 0.00 O ATOM 261 NE2 GLN A 356 7.689 -6.029 7.259 1.00 0.00 N ATOM 0 H GLN A 356 4.855 -6.476 6.636 1.00 0.00 H new ATOM 0 HA GLN A 356 5.496 -4.509 4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 356 5.347 -7.314 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 356 6.552 -6.079 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 356 6.326 -7.774 6.017 1.00 0.00 H new ATOM 0 HG3 GLN A 356 7.496 -7.960 4.726 1.00 0.00 H new ATOM 0 HE21 GLN A 356 6.972 -6.533 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 356 8.298 -5.367 7.740 1.00 0.00 H new ATOM 270 N LEU A 357 2.881 -6.285 3.814 1.00 0.00 N ATOM 271 CA LEU A 357 1.722 -6.304 2.907 1.00 0.00 C ATOM 272 C LEU A 357 0.956 -4.957 2.993 1.00 0.00 C ATOM 273 O LEU A 357 0.713 -4.303 1.981 1.00 0.00 O ATOM 274 CB LEU A 357 0.865 -7.541 3.260 1.00 0.00 C ATOM 275 CG LEU A 357 0.095 -8.133 2.067 1.00 0.00 C ATOM 276 CD1 LEU A 357 -0.749 -9.330 2.501 1.00 0.00 C ATOM 277 CD2 LEU A 357 -0.796 -7.114 1.379 1.00 0.00 C ATOM 0 H LEU A 357 2.888 -7.057 4.481 1.00 0.00 H new ATOM 0 HA LEU A 357 2.024 -6.397 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 357 1.513 -8.311 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 357 0.153 -7.266 4.038 1.00 0.00 H new ATOM 0 HG LEU A 357 0.850 -8.455 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 357 -1.283 -9.730 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 357 -0.100 -10.101 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 357 -1.467 -9.014 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 357 -1.314 -7.588 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 357 -1.528 -6.731 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 357 -0.187 -6.291 1.006 1.00 0.00 H new ATOM 289 N VAL A 358 0.646 -4.470 4.196 1.00 0.00 N ATOM 290 CA VAL A 358 -0.008 -3.163 4.406 1.00 0.00 C ATOM 291 C VAL A 358 0.860 -1.994 3.897 1.00 0.00 C ATOM 292 O VAL A 358 0.337 -1.055 3.294 1.00 0.00 O ATOM 293 CB VAL A 358 -0.365 -2.998 5.899 1.00 0.00 C ATOM 294 CG1 VAL A 358 -0.889 -1.597 6.244 1.00 0.00 C ATOM 295 CG2 VAL A 358 -1.455 -4.000 6.319 1.00 0.00 C ATOM 0 H VAL A 358 0.841 -4.970 5.063 1.00 0.00 H new ATOM 0 HA VAL A 358 -0.926 -3.139 3.819 1.00 0.00 H new ATOM 0 HB VAL A 358 0.568 -3.174 6.434 1.00 0.00 H new ATOM 0 HG11 VAL A 358 -1.121 -1.547 7.308 1.00 0.00 H new ATOM 0 HG12 VAL A 358 -0.128 -0.855 6.004 1.00 0.00 H new ATOM 0 HG13 VAL A 358 -1.790 -1.393 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 358 -1.688 -3.863 7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 358 -2.353 -3.831 5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 358 -1.097 -5.017 6.156 1.00 0.00 H new ATOM 305 N LEU A 359 2.187 -2.062 4.066 1.00 0.00 N ATOM 306 CA LEU A 359 3.139 -1.047 3.582 1.00 0.00 C ATOM 307 C LEU A 359 3.229 -1.057 2.052 1.00 0.00 C ATOM 308 O LEU A 359 3.364 -0.004 1.441 1.00 0.00 O ATOM 309 CB LEU A 359 4.541 -1.268 4.184 1.00 0.00 C ATOM 310 CG LEU A 359 4.717 -0.807 5.642 1.00 0.00 C ATOM 311 CD1 LEU A 359 6.068 -1.298 6.169 1.00 0.00 C ATOM 312 CD2 LEU A 359 4.694 0.717 5.761 1.00 0.00 C ATOM 0 H LEU A 359 2.640 -2.837 4.551 1.00 0.00 H new ATOM 0 HA LEU A 359 2.766 -0.075 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 359 4.779 -2.330 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 359 5.270 -0.744 3.565 1.00 0.00 H new ATOM 0 HG LEU A 359 3.890 -1.221 6.219 1.00 0.00 H new ATOM 0 HD11 LEU A 359 6.196 -0.973 7.202 1.00 0.00 H new ATOM 0 HD12 LEU A 359 6.102 -2.387 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 359 6.869 -0.884 5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 359 4.821 1.002 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 359 5.504 1.141 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 359 3.740 1.096 5.395 1.00 0.00 H new ATOM 324 N LEU A 360 3.115 -2.231 1.435 1.00 0.00 N ATOM 325 CA LEU A 360 3.088 -2.461 -0.009 1.00 0.00 C ATOM 326 C LEU A 360 1.857 -1.804 -0.625 1.00 0.00 C ATOM 327 O LEU A 360 1.953 -1.065 -1.604 1.00 0.00 O ATOM 328 CB LEU A 360 3.042 -3.988 -0.237 1.00 0.00 C ATOM 329 CG LEU A 360 4.311 -4.683 -0.763 1.00 0.00 C ATOM 330 CD1 LEU A 360 5.618 -4.043 -0.292 1.00 0.00 C ATOM 331 CD2 LEU A 360 4.313 -6.145 -0.307 1.00 0.00 C ATOM 0 H LEU A 360 3.034 -3.101 1.962 1.00 0.00 H new ATOM 0 HA LEU A 360 3.971 -2.029 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 360 2.773 -4.458 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 360 2.234 -4.196 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 360 4.275 -4.586 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 360 6.463 -4.593 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 360 5.658 -3.007 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 360 5.666 -4.072 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 360 5.210 -6.641 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 360 4.299 -6.186 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 360 3.431 -6.650 -0.700 1.00 0.00 H new ATOM 343 N LEU A 361 0.690 -2.053 -0.035 1.00 0.00 N ATOM 344 CA LEU A 361 -0.559 -1.467 -0.503 1.00 0.00 C ATOM 345 C LEU A 361 -0.549 0.054 -0.314 1.00 0.00 C ATOM 346 O LEU A 361 -0.933 0.775 -1.238 1.00 0.00 O ATOM 347 CB LEU A 361 -1.726 -2.169 0.195 1.00 0.00 C ATOM 348 CG LEU A 361 -1.768 -3.678 -0.136 1.00 0.00 C ATOM 349 CD1 LEU A 361 -2.921 -4.318 0.624 1.00 0.00 C ATOM 350 CD2 LEU A 361 -1.959 -3.983 -1.624 1.00 0.00 C ATOM 0 H LEU A 361 0.586 -2.663 0.776 1.00 0.00 H new ATOM 0 HA LEU A 361 -0.680 -1.623 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 361 -1.638 -2.036 1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 361 -2.664 -1.704 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 361 -0.799 -4.082 0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 361 -2.959 -5.383 0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 361 -2.772 -4.180 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 361 -3.859 -3.849 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 361 -1.978 -5.062 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 361 -2.900 -3.552 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 361 -1.135 -3.552 -2.192 1.00 0.00 H new ATOM 362 N HIS A 362 -0.024 0.545 0.819 1.00 0.00 N ATOM 363 CA HIS A 362 0.152 1.984 1.032 1.00 0.00 C ATOM 364 C HIS A 362 1.129 2.551 -0.007 1.00 0.00 C ATOM 365 O HIS A 362 0.852 3.590 -0.590 1.00 0.00 O ATOM 366 CB HIS A 362 0.625 2.305 2.460 1.00 0.00 C ATOM 367 CG HIS A 362 0.751 3.798 2.701 1.00 0.00 C ATOM 368 ND1 HIS A 362 1.708 4.628 2.178 1.00 0.00 N flip ATOM 369 CD2 HIS A 362 -0.113 4.597 3.417 1.00 0.00 C flip ATOM 370 CE1 HIS A 362 1.419 5.944 2.559 1.00 0.00 C flip ATOM 371 NE2 HIS A 362 0.312 5.872 3.317 1.00 0.00 N flip ATOM 0 H HIS A 362 0.285 -0.035 1.599 1.00 0.00 H new ATOM 0 HA HIS A 362 -0.820 2.461 0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 362 -0.078 1.881 3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 362 1.589 1.828 2.637 1.00 0.00 H new ATOM 0 HD2 HIS A 362 -0.981 4.260 3.964 1.00 0.00 H new ATOM 0 HE1 HIS A 362 1.972 6.834 2.297 1.00 0.00 H new ATOM 0 HE2 HIS A 362 -0.144 6.672 3.756 1.00 0.00 H new ATOM 379 N ALA A 363 2.254 1.883 -0.271 1.00 0.00 N ATOM 380 CA ALA A 363 3.236 2.319 -1.256 1.00 0.00 C ATOM 381 C ALA A 363 2.620 2.446 -2.657 1.00 0.00 C ATOM 382 O ALA A 363 2.844 3.461 -3.305 1.00 0.00 O ATOM 383 CB ALA A 363 4.441 1.375 -1.224 1.00 0.00 C ATOM 0 H ALA A 363 2.508 1.015 0.200 1.00 0.00 H new ATOM 0 HA ALA A 363 3.582 3.320 -0.997 1.00 0.00 H new ATOM 0 HB1 ALA A 363 5.177 1.699 -1.960 1.00 0.00 H new ATOM 0 HB2 ALA A 363 4.890 1.391 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 363 4.116 0.361 -1.458 1.00 0.00 H new ATOM 389 N HIS A 364 1.811 1.483 -3.116 1.00 0.00 N ATOM 390 CA HIS A 364 1.118 1.553 -4.406 1.00 0.00 C ATOM 391 C HIS A 364 0.170 2.766 -4.456 1.00 0.00 C ATOM 392 O HIS A 364 0.278 3.637 -5.328 1.00 0.00 O ATOM 393 CB HIS A 364 0.354 0.242 -4.633 1.00 0.00 C ATOM 394 CG HIS A 364 -0.226 0.129 -6.021 1.00 0.00 C ATOM 395 ND1 HIS A 364 -1.543 0.322 -6.376 1.00 0.00 N ATOM 396 CD2 HIS A 364 0.458 -0.184 -7.166 1.00 0.00 C ATOM 397 CE1 HIS A 364 -1.654 0.128 -7.701 1.00 0.00 C ATOM 398 NE2 HIS A 364 -0.456 -0.182 -8.230 1.00 0.00 N ATOM 0 H HIS A 364 1.618 0.626 -2.597 1.00 0.00 H new ATOM 0 HA HIS A 364 1.849 1.684 -5.204 1.00 0.00 H new ATOM 0 HB2 HIS A 364 1.025 -0.598 -4.457 1.00 0.00 H new ATOM 0 HB3 HIS A 364 -0.451 0.166 -3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 364 1.515 -0.395 -7.237 1.00 0.00 H new ATOM 0 HE1 HIS A 364 -2.574 0.209 -8.262 1.00 0.00 H new ATOM 0 HE2 HIS A 364 -0.253 -0.377 -9.210 1.00 0.00 H new ATOM 406 N LYS A 365 -0.704 2.850 -3.445 1.00 0.00 N ATOM 407 CA LYS A 365 -1.631 3.967 -3.177 1.00 0.00 C ATOM 408 C LYS A 365 -0.957 5.331 -3.274 1.00 0.00 C ATOM 409 O LYS A 365 -1.394 6.214 -4.010 1.00 0.00 O ATOM 410 CB LYS A 365 -2.224 3.725 -1.769 1.00 0.00 C ATOM 411 CG LYS A 365 -2.615 4.969 -0.953 1.00 0.00 C ATOM 412 CD LYS A 365 -3.257 4.515 0.368 1.00 0.00 C ATOM 413 CE LYS A 365 -3.913 5.704 1.081 1.00 0.00 C ATOM 414 NZ LYS A 365 -4.671 5.269 2.285 1.00 0.00 N ATOM 0 H LYS A 365 -0.791 2.105 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 365 -2.414 3.988 -3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 365 -3.110 3.099 -1.877 1.00 0.00 H new ATOM 0 HB3 LYS A 365 -1.499 3.154 -1.189 1.00 0.00 H new ATOM 0 HG2 LYS A 365 -1.735 5.581 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 365 -3.312 5.587 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 365 -4.003 3.745 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 365 -2.500 4.069 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 365 -3.147 6.422 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 365 -4.585 6.216 0.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 365 -5.101 6.098 2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 365 -5.418 4.602 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 365 -4.024 4.802 2.952 1.00 0.00 H new ATOM 428 N CYS A 366 0.098 5.494 -2.493 1.00 0.00 N ATOM 429 CA CYS A 366 0.840 6.719 -2.321 1.00 0.00 C ATOM 430 C CYS A 366 1.737 7.013 -3.533 1.00 0.00 C ATOM 431 O CYS A 366 1.931 8.174 -3.869 1.00 0.00 O ATOM 432 CB CYS A 366 1.515 6.554 -0.955 1.00 0.00 C ATOM 433 SG CYS A 366 2.375 8.017 -0.334 1.00 0.00 S ATOM 0 H CYS A 366 0.476 4.729 -1.934 1.00 0.00 H new ATOM 0 HA CYS A 366 0.236 7.626 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 366 0.758 6.262 -0.227 1.00 0.00 H new ATOM 0 HB3 CYS A 366 2.229 5.733 -1.018 1.00 0.00 H new ATOM 0 HG CYS A 366 3.351 7.650 0.442 1.00 0.00 H new ATOM 438 N GLN A 367 2.246 6.011 -4.257 1.00 0.00 N ATOM 439 CA GLN A 367 2.982 6.209 -5.517 1.00 0.00 C ATOM 440 C GLN A 367 2.033 6.815 -6.566 1.00 0.00 C ATOM 441 O GLN A 367 2.402 7.759 -7.273 1.00 0.00 O ATOM 442 CB GLN A 367 3.597 4.869 -5.961 1.00 0.00 C ATOM 443 CG GLN A 367 4.526 4.967 -7.176 1.00 0.00 C ATOM 444 CD GLN A 367 5.210 3.626 -7.448 1.00 0.00 C ATOM 445 OE1 GLN A 367 4.718 2.785 -8.189 1.00 0.00 O ATOM 446 NE2 GLN A 367 6.359 3.370 -6.860 1.00 0.00 N ATOM 0 H GLN A 367 2.160 5.031 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 367 3.806 6.911 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 367 4.155 4.446 -5.126 1.00 0.00 H new ATOM 0 HB3 GLN A 367 2.791 4.172 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 367 3.955 5.273 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 367 5.279 5.736 -7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 367 6.780 4.062 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 367 6.829 2.480 -7.024 1.00 0.00 H new ATOM 455 N ARG A 368 0.784 6.324 -6.617 1.00 0.00 N ATOM 456 CA ARG A 368 -0.286 6.873 -7.465 1.00 0.00 C ATOM 457 C ARG A 368 -0.663 8.286 -7.035 1.00 0.00 C ATOM 458 O ARG A 368 -0.684 9.185 -7.873 1.00 0.00 O ATOM 459 CB ARG A 368 -1.478 5.900 -7.482 1.00 0.00 C ATOM 460 CG ARG A 368 -2.575 6.319 -8.472 1.00 0.00 C ATOM 461 CD ARG A 368 -3.692 5.270 -8.493 1.00 0.00 C ATOM 462 NE ARG A 368 -4.781 5.654 -9.413 1.00 0.00 N ATOM 463 CZ ARG A 368 -5.868 4.951 -9.679 1.00 0.00 C ATOM 464 NH1 ARG A 368 -6.097 3.792 -9.126 1.00 0.00 N ATOM 465 NH2 ARG A 368 -6.757 5.403 -10.516 1.00 0.00 N ATOM 0 H ARG A 368 0.485 5.522 -6.062 1.00 0.00 H new ATOM 0 HA ARG A 368 0.071 6.968 -8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 368 -1.123 4.902 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 368 -1.904 5.837 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 368 -2.982 7.289 -8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 368 -2.152 6.431 -9.470 1.00 0.00 H new ATOM 0 HD2 ARG A 368 -3.282 4.307 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 368 -4.092 5.144 -7.487 1.00 0.00 H new ATOM 0 HE ARG A 368 -4.685 6.550 -9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 368 -5.426 3.401 -8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 368 -6.947 3.277 -9.355 1.00 0.00 H new ATOM 0 HH21 ARG A 368 -6.617 6.305 -10.971 1.00 0.00 H new ATOM 0 HH22 ARG A 368 -7.594 4.855 -10.717 1.00 0.00 H new ATOM 479 N ARG A 369 -0.910 8.508 -5.740 1.00 0.00 N ATOM 480 CA ARG A 369 -1.264 9.840 -5.222 1.00 0.00 C ATOM 481 C ARG A 369 -0.170 10.875 -5.482 1.00 0.00 C ATOM 482 O ARG A 369 -0.460 12.032 -5.779 1.00 0.00 O ATOM 483 CB ARG A 369 -1.671 9.778 -3.724 1.00 0.00 C ATOM 484 CG ARG A 369 -0.626 10.353 -2.740 1.00 0.00 C ATOM 485 CD ARG A 369 -0.904 10.068 -1.269 1.00 0.00 C ATOM 486 NE ARG A 369 -2.204 10.597 -0.813 1.00 0.00 N ATOM 487 CZ ARG A 369 -2.689 10.511 0.412 1.00 0.00 C ATOM 488 NH1 ARG A 369 -2.047 9.898 1.367 1.00 0.00 N ATOM 489 NH2 ARG A 369 -3.840 11.045 0.704 1.00 0.00 N ATOM 0 H ARG A 369 -0.872 7.781 -5.026 1.00 0.00 H new ATOM 0 HA ARG A 369 -2.138 10.177 -5.779 1.00 0.00 H new ATOM 0 HB2 ARG A 369 -2.607 10.321 -3.594 1.00 0.00 H new ATOM 0 HB3 ARG A 369 -1.865 8.739 -3.458 1.00 0.00 H new ATOM 0 HG2 ARG A 369 0.353 9.947 -2.995 1.00 0.00 H new ATOM 0 HG3 ARG A 369 -0.571 11.432 -2.882 1.00 0.00 H new ATOM 0 HD2 ARG A 369 -0.878 8.991 -1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 369 -0.109 10.503 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 369 -2.780 11.072 -1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 369 -1.142 9.467 1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 369 -2.450 9.850 2.303 1.00 0.00 H new ATOM 0 HH21 ARG A 369 -4.373 11.533 -0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 369 -4.209 10.975 1.652 1.00 0.00 H new ATOM 503 N GLU A 370 1.085 10.450 -5.344 1.00 0.00 N ATOM 504 CA GLU A 370 2.253 11.306 -5.500 1.00 0.00 C ATOM 505 C GLU A 370 2.395 11.741 -6.960 1.00 0.00 C ATOM 506 O GLU A 370 2.388 12.935 -7.264 1.00 0.00 O ATOM 507 CB GLU A 370 3.506 10.562 -5.016 1.00 0.00 C ATOM 508 CG GLU A 370 4.769 11.433 -5.043 1.00 0.00 C ATOM 509 CD GLU A 370 5.912 10.921 -4.133 1.00 0.00 C ATOM 510 OE1 GLU A 370 5.898 9.751 -3.683 1.00 0.00 O ATOM 511 OE2 GLU A 370 6.847 11.705 -3.839 1.00 0.00 O ATOM 0 H GLU A 370 1.319 9.484 -5.117 1.00 0.00 H new ATOM 0 HA GLU A 370 2.131 12.204 -4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 370 3.340 10.205 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 370 3.664 9.683 -5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 370 5.134 11.492 -6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 370 4.505 12.446 -4.740 1.00 0.00 H new ATOM 518 N GLN A 371 2.479 10.763 -7.871 1.00 0.00 N ATOM 519 CA GLN A 371 2.597 11.044 -9.312 1.00 0.00 C ATOM 520 C GLN A 371 1.362 11.745 -9.916 1.00 0.00 C ATOM 521 O GLN A 371 1.488 12.421 -10.939 1.00 0.00 O ATOM 522 CB GLN A 371 2.975 9.773 -10.092 1.00 0.00 C ATOM 523 CG GLN A 371 1.792 8.838 -10.380 1.00 0.00 C ATOM 524 CD GLN A 371 2.253 7.495 -10.933 1.00 0.00 C ATOM 525 OE1 GLN A 371 2.248 7.236 -12.130 1.00 0.00 O ATOM 526 NE2 GLN A 371 2.680 6.596 -10.074 1.00 0.00 N ATOM 0 H GLN A 371 2.468 9.770 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 371 3.409 11.764 -9.414 1.00 0.00 H new ATOM 0 HB2 GLN A 371 3.433 10.063 -11.037 1.00 0.00 H new ATOM 0 HB3 GLN A 371 3.729 9.224 -9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 371 1.224 8.678 -9.464 1.00 0.00 H new ATOM 0 HG3 GLN A 371 1.119 9.313 -11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 371 2.686 6.807 -9.076 1.00 0.00 H new ATOM 0 HE22 GLN A 371 3.005 5.688 -10.406 1.00 0.00 H new ATOM 535 N ALA A 372 0.176 11.603 -9.303 1.00 0.00 N ATOM 536 CA ALA A 372 -1.067 12.224 -9.785 1.00 0.00 C ATOM 537 C ALA A 372 -1.038 13.769 -9.832 1.00 0.00 C ATOM 538 O ALA A 372 -1.797 14.365 -10.603 1.00 0.00 O ATOM 539 CB ALA A 372 -2.250 11.735 -8.936 1.00 0.00 C ATOM 0 H ALA A 372 0.052 11.051 -8.454 1.00 0.00 H new ATOM 0 HA ALA A 372 -1.181 11.908 -10.822 1.00 0.00 H new ATOM 0 HB1 ALA A 372 -3.170 12.196 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA A 372 -2.332 10.651 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 372 -2.088 12.010 -7.894 1.00 0.00 H new ATOM 652 N LEU A 381 5.356 8.880 6.878 1.00 0.00 N ATOM 653 CA LEU A 381 5.769 7.491 7.120 1.00 0.00 C ATOM 654 C LEU A 381 7.122 7.164 6.448 1.00 0.00 C ATOM 655 O LEU A 381 7.145 6.889 5.248 1.00 0.00 O ATOM 656 CB LEU A 381 4.613 6.595 6.627 1.00 0.00 C ATOM 657 CG LEU A 381 4.820 5.078 6.783 1.00 0.00 C ATOM 658 CD1 LEU A 381 5.050 4.661 8.237 1.00 0.00 C ATOM 659 CD2 LEU A 381 3.578 4.353 6.266 1.00 0.00 C ATOM 0 HA LEU A 381 5.948 7.314 8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 381 3.708 6.875 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 381 4.437 6.811 5.573 1.00 0.00 H new ATOM 0 HG LEU A 381 5.710 4.811 6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 381 5.190 3.581 8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 381 5.939 5.161 8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 381 4.185 4.944 8.838 1.00 0.00 H new ATOM 0 HD21 LEU A 381 3.714 3.277 6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 381 2.707 4.667 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 381 3.425 4.598 5.215 1.00 0.00 H new ATOM 671 N PRO A 382 8.260 7.180 7.174 1.00 0.00 N ATOM 672 CA PRO A 382 9.590 6.886 6.615 1.00 0.00 C ATOM 673 C PRO A 382 9.691 5.580 5.803 1.00 0.00 C ATOM 674 O PRO A 382 10.349 5.544 4.763 1.00 0.00 O ATOM 675 CB PRO A 382 10.541 6.860 7.818 1.00 0.00 C ATOM 676 CG PRO A 382 9.858 7.778 8.830 1.00 0.00 C ATOM 677 CD PRO A 382 8.374 7.515 8.586 1.00 0.00 C ATOM 0 HA PRO A 382 9.841 7.652 5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 382 10.665 5.851 8.211 1.00 0.00 H new ATOM 0 HB3 PRO A 382 11.534 7.223 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.148 7.537 9.853 1.00 0.00 H new ATOM 0 HG3 PRO A 382 10.115 8.824 8.664 1.00 0.00 H new ATOM 0 HD2 PRO A 382 8.013 6.699 9.212 1.00 0.00 H new ATOM 0 HD3 PRO A 382 7.776 8.393 8.830 1.00 0.00 H new ATOM 685 N HIS A 383 9.026 4.511 6.259 1.00 0.00 N ATOM 686 CA HIS A 383 9.013 3.192 5.604 1.00 0.00 C ATOM 687 C HIS A 383 8.343 3.187 4.214 1.00 0.00 C ATOM 688 O HIS A 383 8.621 2.310 3.390 1.00 0.00 O ATOM 689 CB HIS A 383 8.306 2.186 6.528 1.00 0.00 C ATOM 690 CG HIS A 383 8.905 2.095 7.912 1.00 0.00 C ATOM 691 ND1 HIS A 383 10.149 1.601 8.236 1.00 0.00 N ATOM 692 CD2 HIS A 383 8.316 2.496 9.083 1.00 0.00 C ATOM 693 CE1 HIS A 383 10.311 1.706 9.567 1.00 0.00 C ATOM 694 NE2 HIS A 383 9.216 2.250 10.129 1.00 0.00 N ATOM 0 H HIS A 383 8.469 4.537 7.113 1.00 0.00 H new ATOM 0 HA HIS A 383 10.053 2.912 5.434 1.00 0.00 H new ATOM 0 HB2 HIS A 383 7.256 2.465 6.616 1.00 0.00 H new ATOM 0 HB3 HIS A 383 8.336 1.200 6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 383 7.330 2.926 9.182 1.00 0.00 H new ATOM 0 HE1 HIS A 383 11.194 1.398 10.108 1.00 0.00 H new ATOM 0 HE2 HIS A 383 9.070 2.445 11.120 1.00 0.00 H new ATOM 702 N CYS A 384 7.472 4.167 3.943 1.00 0.00 N ATOM 703 CA CYS A 384 6.737 4.310 2.691 1.00 0.00 C ATOM 704 C CYS A 384 7.672 4.422 1.476 1.00 0.00 C ATOM 705 O CYS A 384 7.546 3.640 0.535 1.00 0.00 O ATOM 706 CB CYS A 384 5.817 5.524 2.852 1.00 0.00 C ATOM 707 SG CYS A 384 4.738 5.701 1.421 1.00 0.00 S ATOM 0 H CYS A 384 7.256 4.904 4.615 1.00 0.00 H new ATOM 0 HA CYS A 384 6.143 3.419 2.490 1.00 0.00 H new ATOM 0 HB2 CYS A 384 5.216 5.414 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 384 6.416 6.426 2.976 1.00 0.00 H new ATOM 0 HG CYS A 384 3.606 5.106 1.655 1.00 0.00 H new ATOM 712 N ARG A 385 8.655 5.337 1.501 1.00 0.00 N ATOM 713 CA ARG A 385 9.643 5.508 0.411 1.00 0.00 C ATOM 714 C ARG A 385 10.474 4.245 0.162 1.00 0.00 C ATOM 715 O ARG A 385 10.780 3.931 -0.990 1.00 0.00 O ATOM 716 CB ARG A 385 10.515 6.757 0.650 1.00 0.00 C ATOM 717 CG ARG A 385 9.996 7.995 -0.110 1.00 0.00 C ATOM 718 CD ARG A 385 8.581 8.441 0.291 1.00 0.00 C ATOM 719 NE ARG A 385 8.103 9.546 -0.570 1.00 0.00 N ATOM 720 CZ ARG A 385 7.669 10.733 -0.187 1.00 0.00 C ATOM 721 NH1 ARG A 385 7.607 11.103 1.060 1.00 0.00 N ATOM 722 NH2 ARG A 385 7.275 11.616 -1.054 1.00 0.00 N ATOM 0 H ARG A 385 8.791 5.983 2.278 1.00 0.00 H new ATOM 0 HA ARG A 385 9.085 5.672 -0.511 1.00 0.00 H new ATOM 0 HB2 ARG A 385 10.545 6.976 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 385 11.538 6.547 0.339 1.00 0.00 H new ATOM 0 HG2 ARG A 385 10.685 8.823 0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 385 10.007 7.781 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 385 7.896 7.596 0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 385 8.580 8.762 1.333 1.00 0.00 H new ATOM 0 HE ARG A 385 8.110 9.370 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 385 7.902 10.463 1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 385 7.263 12.033 1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 385 7.297 11.398 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 385 6.943 12.527 -0.739 1.00 0.00 H new ATOM 736 N THR A 386 10.777 3.481 1.209 1.00 0.00 N ATOM 737 CA THR A 386 11.491 2.198 1.116 1.00 0.00 C ATOM 738 C THR A 386 10.628 1.192 0.357 1.00 0.00 C ATOM 739 O THR A 386 11.075 0.636 -0.645 1.00 0.00 O ATOM 740 CB THR A 386 11.860 1.645 2.505 1.00 0.00 C ATOM 741 OG1 THR A 386 12.484 2.653 3.274 1.00 0.00 O ATOM 742 CG2 THR A 386 12.837 0.471 2.418 1.00 0.00 C ATOM 0 H THR A 386 10.531 3.736 2.166 1.00 0.00 H new ATOM 0 HA THR A 386 12.424 2.366 0.577 1.00 0.00 H new ATOM 0 HB THR A 386 10.930 1.308 2.964 1.00 0.00 H new ATOM 0 HG1 THR A 386 12.715 2.295 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 386 13.068 0.115 3.422 1.00 0.00 H new ATOM 0 HG22 THR A 386 12.385 -0.336 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 386 13.755 0.797 1.929 1.00 0.00 H new ATOM 750 N MET A 387 9.370 0.991 0.768 1.00 0.00 N ATOM 751 CA MET A 387 8.465 0.072 0.065 1.00 0.00 C ATOM 752 C MET A 387 8.065 0.561 -1.337 1.00 0.00 C ATOM 753 O MET A 387 7.929 -0.257 -2.242 1.00 0.00 O ATOM 754 CB MET A 387 7.270 -0.305 0.951 1.00 0.00 C ATOM 755 CG MET A 387 7.462 -1.741 1.471 1.00 0.00 C ATOM 756 SD MET A 387 9.028 -2.118 2.322 1.00 0.00 S ATOM 757 CE MET A 387 9.202 -3.886 1.917 1.00 0.00 C ATOM 0 H MET A 387 8.957 1.450 1.580 1.00 0.00 H new ATOM 0 HA MET A 387 9.021 -0.846 -0.125 1.00 0.00 H new ATOM 0 HB2 MET A 387 7.188 0.390 1.787 1.00 0.00 H new ATOM 0 HB3 MET A 387 6.343 -0.232 0.383 1.00 0.00 H new ATOM 0 HG2 MET A 387 6.644 -1.964 2.156 1.00 0.00 H new ATOM 0 HG3 MET A 387 7.365 -2.422 0.625 1.00 0.00 H new ATOM 0 HE1 MET A 387 10.231 -4.200 2.094 1.00 0.00 H new ATOM 0 HE2 MET A 387 8.531 -4.471 2.546 1.00 0.00 H new ATOM 0 HE3 MET A 387 8.949 -4.046 0.869 1.00 0.00 H new ATOM 767 N LYS A 388 7.967 1.873 -1.579 1.00 0.00 N ATOM 768 CA LYS A 388 7.783 2.459 -2.923 1.00 0.00 C ATOM 769 C LYS A 388 8.973 2.078 -3.821 1.00 0.00 C ATOM 770 O LYS A 388 8.773 1.683 -4.973 1.00 0.00 O ATOM 771 CB LYS A 388 7.665 3.988 -2.792 1.00 0.00 C ATOM 772 CG LYS A 388 6.268 4.517 -2.403 1.00 0.00 C ATOM 773 CD LYS A 388 6.398 5.948 -1.856 1.00 0.00 C ATOM 774 CE LYS A 388 5.079 6.677 -1.556 1.00 0.00 C ATOM 775 NZ LYS A 388 4.646 7.566 -2.657 1.00 0.00 N ATOM 0 H LYS A 388 8.013 2.573 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 388 6.872 2.072 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 388 8.383 4.328 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 388 7.954 4.440 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 388 5.608 4.506 -3.271 1.00 0.00 H new ATOM 0 HG3 LYS A 388 5.818 3.868 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 388 6.987 5.913 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 388 6.962 6.541 -2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 388 4.299 5.940 -1.363 1.00 0.00 H new ATOM 0 HE3 LYS A 388 5.194 7.265 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 3.789 8.081 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 5.403 8.246 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 4.442 6.997 -3.503 1.00 0.00 H new ATOM 789 N ASN A 389 10.204 2.118 -3.287 1.00 0.00 N ATOM 790 CA ASN A 389 11.400 1.684 -4.029 1.00 0.00 C ATOM 791 C ASN A 389 11.384 0.162 -4.270 1.00 0.00 C ATOM 792 O ASN A 389 11.730 -0.292 -5.361 1.00 0.00 O ATOM 793 CB ASN A 389 12.682 2.147 -3.312 1.00 0.00 C ATOM 794 CG ASN A 389 13.097 3.542 -3.748 1.00 0.00 C ATOM 795 OD1 ASN A 389 13.862 3.723 -4.686 1.00 0.00 O ATOM 796 ND2 ASN A 389 12.598 4.573 -3.106 1.00 0.00 N ATOM 0 H ASN A 389 10.398 2.447 -2.341 1.00 0.00 H new ATOM 0 HA ASN A 389 11.388 2.158 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 389 12.520 2.136 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 389 13.489 1.445 -3.521 1.00 0.00 H new ATOM 0 HD21 ASN A 389 12.848 5.520 -3.390 1.00 0.00 H new ATOM 0 HD22 ASN A 389 11.960 4.427 -2.324 1.00 0.00 H new ATOM 803 N VAL A 390 10.920 -0.629 -3.296 1.00 0.00 N ATOM 804 CA VAL A 390 10.740 -2.086 -3.430 1.00 0.00 C ATOM 805 C VAL A 390 9.698 -2.397 -4.499 1.00 0.00 C ATOM 806 O VAL A 390 9.908 -3.324 -5.268 1.00 0.00 O ATOM 807 CB VAL A 390 10.322 -2.712 -2.090 1.00 0.00 C ATOM 808 CG1 VAL A 390 9.795 -4.151 -2.208 1.00 0.00 C ATOM 809 CG2 VAL A 390 11.502 -2.714 -1.113 1.00 0.00 C ATOM 0 H VAL A 390 10.654 -0.273 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 390 11.695 -2.518 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 390 9.503 -2.091 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 390 9.522 -4.521 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 390 8.919 -4.166 -2.856 1.00 0.00 H new ATOM 0 HG13 VAL A 390 10.571 -4.789 -2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 390 11.191 -3.160 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 390 12.323 -3.293 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 390 11.832 -1.690 -0.939 1.00 0.00 H new ATOM 819 N LEU A 391 8.601 -1.640 -4.602 1.00 0.00 N ATOM 820 CA LEU A 391 7.611 -1.843 -5.668 1.00 0.00 C ATOM 821 C LEU A 391 8.203 -1.500 -7.042 1.00 0.00 C ATOM 822 O LEU A 391 8.019 -2.260 -7.992 1.00 0.00 O ATOM 823 CB LEU A 391 6.336 -1.020 -5.428 1.00 0.00 C ATOM 824 CG LEU A 391 5.411 -1.495 -4.297 1.00 0.00 C ATOM 825 CD1 LEU A 391 4.191 -0.579 -4.289 1.00 0.00 C ATOM 826 CD2 LEU A 391 4.923 -2.933 -4.474 1.00 0.00 C ATOM 0 H LEU A 391 8.375 -0.880 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 391 7.341 -2.899 -5.652 1.00 0.00 H new ATOM 0 HB2 LEU A 391 6.629 0.009 -5.218 1.00 0.00 H new ATOM 0 HB3 LEU A 391 5.761 -1.005 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 391 5.979 -1.461 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 391 3.510 -0.887 -3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 391 4.509 0.449 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 391 3.681 -0.643 -5.250 1.00 0.00 H new ATOM 0 HD21 LEU A 391 4.275 -3.202 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 391 4.367 -3.016 -5.408 1.00 0.00 H new ATOM 0 HD23 LEU A 391 5.779 -3.607 -4.501 1.00 0.00 H new ATOM 838 N ASN A 392 8.959 -0.399 -7.152 1.00 0.00 N ATOM 839 CA ASN A 392 9.641 -0.046 -8.402 1.00 0.00 C ATOM 840 C ASN A 392 10.596 -1.181 -8.833 1.00 0.00 C ATOM 841 O ASN A 392 10.622 -1.595 -9.997 1.00 0.00 O ATOM 842 CB ASN A 392 10.376 1.292 -8.214 1.00 0.00 C ATOM 843 CG ASN A 392 11.033 1.760 -9.504 1.00 0.00 C ATOM 844 OD1 ASN A 392 10.389 1.934 -10.530 1.00 0.00 O ATOM 845 ND2 ASN A 392 12.330 1.974 -9.504 1.00 0.00 N ATOM 0 H ASN A 392 9.113 0.261 -6.390 1.00 0.00 H new ATOM 0 HA ASN A 392 8.913 0.076 -9.204 1.00 0.00 H new ATOM 0 HB2 ASN A 392 9.671 2.049 -7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 392 11.134 1.185 -7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 392 12.796 2.284 -10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 392 12.871 1.830 -8.651 1.00 0.00 H new ATOM 852 N HIS A 393 11.331 -1.743 -7.868 1.00 0.00 N ATOM 853 CA HIS A 393 12.218 -2.872 -8.110 1.00 0.00 C ATOM 854 C HIS A 393 11.425 -4.118 -8.497 1.00 0.00 C ATOM 855 O HIS A 393 11.678 -4.678 -9.555 1.00 0.00 O ATOM 856 CB HIS A 393 13.078 -3.154 -6.873 1.00 0.00 C ATOM 857 CG HIS A 393 13.981 -4.347 -7.092 1.00 0.00 C ATOM 858 ND1 HIS A 393 13.584 -5.653 -6.993 1.00 0.00 N flip ATOM 859 CD2 HIS A 393 15.234 -4.356 -7.665 1.00 0.00 C flip ATOM 860 CE1 HIS A 393 14.575 -6.465 -7.557 1.00 0.00 C flip ATOM 861 NE2 HIS A 393 15.566 -5.634 -7.926 1.00 0.00 N flip ATOM 0 H HIS A 393 11.324 -1.424 -6.899 1.00 0.00 H new ATOM 0 HA HIS A 393 12.873 -2.613 -8.941 1.00 0.00 H new ATOM 0 HB2 HIS A 393 13.681 -2.277 -6.639 1.00 0.00 H new ATOM 0 HB3 HIS A 393 12.433 -3.336 -6.013 1.00 0.00 H new ATOM 0 HD2 HIS A 393 15.844 -3.488 -7.869 1.00 0.00 H new ATOM 0 HE1 HIS A 393 14.549 -7.539 -7.672 1.00 0.00 H new ATOM 0 HE2 HIS A 393 16.447 -5.931 -8.345 1.00 0.00 H new ATOM 869 N MET A 394 10.471 -4.553 -7.668 1.00 0.00 N ATOM 870 CA MET A 394 9.679 -5.768 -7.887 1.00 0.00 C ATOM 871 C MET A 394 8.934 -5.752 -9.231 1.00 0.00 C ATOM 872 O MET A 394 8.729 -6.817 -9.814 1.00 0.00 O ATOM 873 CB MET A 394 8.748 -6.093 -6.694 1.00 0.00 C ATOM 874 CG MET A 394 7.425 -5.326 -6.679 1.00 0.00 C ATOM 875 SD MET A 394 5.945 -6.309 -7.025 1.00 0.00 S ATOM 876 CE MET A 394 5.592 -6.752 -5.307 1.00 0.00 C ATOM 0 H MET A 394 10.223 -4.061 -6.810 1.00 0.00 H new ATOM 0 HA MET A 394 10.393 -6.590 -7.946 1.00 0.00 H new ATOM 0 HB2 MET A 394 8.531 -7.161 -6.702 1.00 0.00 H new ATOM 0 HB3 MET A 394 9.283 -5.883 -5.768 1.00 0.00 H new ATOM 0 HG2 MET A 394 7.308 -4.859 -5.701 1.00 0.00 H new ATOM 0 HG3 MET A 394 7.484 -4.521 -7.412 1.00 0.00 H new ATOM 0 HE1 MET A 394 4.730 -7.418 -5.273 1.00 0.00 H new ATOM 0 HE2 MET A 394 6.457 -7.256 -4.876 1.00 0.00 H new ATOM 0 HE3 MET A 394 5.376 -5.849 -4.735 1.00 0.00 H new ATOM 886 N THR A 395 8.560 -4.569 -9.746 1.00 0.00 N ATOM 887 CA THR A 395 7.934 -4.458 -11.079 1.00 0.00 C ATOM 888 C THR A 395 8.984 -4.509 -12.201 1.00 0.00 C ATOM 889 O THR A 395 8.784 -5.200 -13.202 1.00 0.00 O ATOM 890 CB THR A 395 6.961 -3.271 -11.205 1.00 0.00 C ATOM 891 OG1 THR A 395 6.131 -3.481 -12.328 1.00 0.00 O ATOM 892 CG2 THR A 395 7.587 -1.888 -11.370 1.00 0.00 C ATOM 0 H THR A 395 8.679 -3.678 -9.264 1.00 0.00 H new ATOM 0 HA THR A 395 7.303 -5.338 -11.200 1.00 0.00 H new ATOM 0 HB THR A 395 6.434 -3.255 -10.251 1.00 0.00 H new ATOM 0 HG1 THR A 395 5.506 -2.732 -12.417 1.00 0.00 H new ATOM 0 HG21 THR A 395 6.799 -1.139 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 395 8.214 -1.667 -10.506 1.00 0.00 H new ATOM 0 HG23 THR A 395 8.196 -1.870 -12.274 1.00 0.00 H new ATOM 900 N HIS A 396 10.132 -3.836 -12.029 1.00 0.00 N ATOM 901 CA HIS A 396 11.245 -3.862 -12.995 1.00 0.00 C ATOM 902 C HIS A 396 12.040 -5.196 -12.998 1.00 0.00 C ATOM 903 O HIS A 396 12.825 -5.457 -13.914 1.00 0.00 O ATOM 904 CB HIS A 396 12.168 -2.672 -12.686 1.00 0.00 C ATOM 905 CG HIS A 396 13.202 -2.408 -13.753 1.00 0.00 C ATOM 906 ND1 HIS A 396 12.963 -1.893 -15.008 1.00 0.00 N ATOM 907 CD2 HIS A 396 14.548 -2.644 -13.663 1.00 0.00 C ATOM 908 CE1 HIS A 396 14.136 -1.822 -15.663 1.00 0.00 C ATOM 909 NE2 HIS A 396 15.137 -2.267 -14.880 1.00 0.00 N ATOM 0 H HIS A 396 10.317 -3.255 -11.212 1.00 0.00 H new ATOM 0 HA HIS A 396 10.826 -3.783 -13.998 1.00 0.00 H new ATOM 0 HB2 HIS A 396 11.560 -1.777 -12.554 1.00 0.00 H new ATOM 0 HB3 HIS A 396 12.676 -2.855 -11.739 1.00 0.00 H new ATOM 0 HD2 HIS A 396 15.065 -3.049 -12.806 1.00 0.00 H new ATOM 0 HE1 HIS A 396 14.257 -1.460 -16.673 1.00 0.00 H new ATOM 0 HE2 HIS A 396 16.126 -2.320 -15.123 1.00 0.00 H new ATOM 917 N CYS A 397 11.860 -6.022 -11.961 1.00 0.00 N ATOM 918 CA CYS A 397 12.528 -7.293 -11.697 1.00 0.00 C ATOM 919 C CYS A 397 12.456 -8.314 -12.850 1.00 0.00 C ATOM 920 O CYS A 397 11.572 -8.267 -13.712 1.00 0.00 O ATOM 921 CB CYS A 397 11.915 -7.856 -10.405 1.00 0.00 C ATOM 922 SG CYS A 397 13.051 -9.011 -9.603 1.00 0.00 S ATOM 0 H CYS A 397 11.188 -5.797 -11.228 1.00 0.00 H new ATOM 0 HA CYS A 397 13.597 -7.106 -11.593 1.00 0.00 H new ATOM 0 HB2 CYS A 397 11.679 -7.039 -9.723 1.00 0.00 H new ATOM 0 HB3 CYS A 397 10.977 -8.362 -10.633 1.00 0.00 H new ATOM 0 HG CYS A 397 12.874 -8.970 -8.316 1.00 0.00 H new ATOM 927 N GLN A 398 13.382 -9.278 -12.820 1.00 0.00 N ATOM 928 CA GLN A 398 13.508 -10.366 -13.804 1.00 0.00 C ATOM 929 C GLN A 398 13.405 -11.770 -13.179 1.00 0.00 C ATOM 930 O GLN A 398 13.752 -12.780 -13.798 1.00 0.00 O ATOM 931 CB GLN A 398 14.784 -10.165 -14.646 1.00 0.00 C ATOM 932 CG GLN A 398 14.799 -8.824 -15.405 1.00 0.00 C ATOM 933 CD GLN A 398 16.070 -8.602 -16.229 1.00 0.00 C ATOM 934 OE1 GLN A 398 16.780 -9.519 -16.627 1.00 0.00 O ATOM 935 NE2 GLN A 398 16.416 -7.364 -16.520 1.00 0.00 N ATOM 0 H GLN A 398 14.090 -9.327 -12.087 1.00 0.00 H new ATOM 0 HA GLN A 398 12.650 -10.312 -14.475 1.00 0.00 H new ATOM 0 HB2 GLN A 398 15.655 -10.217 -13.993 1.00 0.00 H new ATOM 0 HB3 GLN A 398 14.873 -10.982 -15.362 1.00 0.00 H new ATOM 0 HG2 GLN A 398 13.934 -8.781 -16.067 1.00 0.00 H new ATOM 0 HG3 GLN A 398 14.693 -8.009 -14.689 1.00 0.00 H new ATOM 0 HE21 GLN A 398 15.841 -6.585 -16.200 1.00 0.00 H new ATOM 0 HE22 GLN A 398 17.259 -7.185 -17.066 1.00 0.00 H new ATOM 944 N ALA A 399 12.876 -11.826 -11.957 1.00 0.00 N ATOM 945 CA ALA A 399 12.592 -13.043 -11.201 1.00 0.00 C ATOM 946 C ALA A 399 11.392 -12.873 -10.265 1.00 0.00 C ATOM 947 O ALA A 399 10.596 -13.799 -10.114 1.00 0.00 O ATOM 948 CB ALA A 399 13.799 -13.414 -10.333 1.00 0.00 C ATOM 0 H ALA A 399 12.622 -10.982 -11.443 1.00 0.00 H new ATOM 0 HA ALA A 399 12.372 -13.821 -11.932 1.00 0.00 H new ATOM 0 HB1 ALA A 399 13.579 -14.323 -9.773 1.00 0.00 H new ATOM 0 HB2 ALA A 399 14.667 -13.582 -10.970 1.00 0.00 H new ATOM 0 HB3 ALA A 399 14.011 -12.601 -9.638 1.00 0.00 H new ATOM 954 N PRO A 400 11.300 -11.705 -9.624 1.00 0.00 N ATOM 955 CA PRO A 400 10.311 -11.316 -8.612 1.00 0.00 C ATOM 956 C PRO A 400 10.239 -12.232 -7.374 1.00 0.00 C ATOM 957 O PRO A 400 10.626 -11.838 -6.277 1.00 0.00 O ATOM 961 N LYS A 401 9.779 -13.476 -7.547 1.00 0.00 N ATOM 962 CA LYS A 401 9.671 -14.508 -6.492 1.00 0.00 C ATOM 963 C LYS A 401 11.009 -15.198 -6.208 1.00 0.00 C ATOM 964 O LYS A 401 11.353 -15.447 -5.054 1.00 0.00 O ATOM 965 CB LYS A 401 8.531 -15.501 -6.807 1.00 0.00 C ATOM 966 CG LYS A 401 8.712 -16.339 -8.089 1.00 0.00 C ATOM 967 CD LYS A 401 7.500 -17.231 -8.404 1.00 0.00 C ATOM 968 CE LYS A 401 7.279 -18.331 -7.355 1.00 0.00 C ATOM 969 NZ LYS A 401 6.121 -19.196 -7.706 1.00 0.00 N ATOM 0 H LYS A 401 9.458 -13.811 -8.456 1.00 0.00 H new ATOM 0 HA LYS A 401 9.406 -14.005 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 401 8.422 -16.181 -5.962 1.00 0.00 H new ATOM 0 HB3 LYS A 401 7.599 -14.942 -6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 401 8.891 -15.670 -8.931 1.00 0.00 H new ATOM 0 HG3 LYS A 401 9.598 -16.965 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 401 6.606 -16.611 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 401 7.638 -17.691 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 401 8.178 -18.941 -7.272 1.00 0.00 H new ATOM 0 HE3 LYS A 401 7.111 -17.876 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 6.001 -19.928 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 5.259 -18.617 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 6.293 -19.649 -8.626 1.00 0.00 H new ATOM 983 N ALA A 402 11.760 -15.459 -7.279 1.00 0.00 N ATOM 984 CA ALA A 402 13.101 -16.047 -7.308 1.00 0.00 C ATOM 985 C ALA A 402 14.212 -15.016 -6.992 1.00 0.00 C ATOM 986 O ALA A 402 15.375 -15.383 -6.826 1.00 0.00 O ATOM 987 CB ALA A 402 13.299 -16.816 -8.624 1.00 0.00 C ATOM 0 H ALA A 402 11.422 -15.250 -8.218 1.00 0.00 H new ATOM 0 HA ALA A 402 13.190 -16.772 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 402 14.297 -17.253 -8.644 1.00 0.00 H new ATOM 0 HB2 ALA A 402 12.555 -17.609 -8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 402 13.185 -16.132 -9.465 1.00 0.00 H new ATOM 993 N CYS A 403 13.862 -13.722 -6.934 1.00 0.00 N ATOM 994 CA CYS A 403 14.701 -12.578 -6.614 1.00 0.00 C ATOM 995 C CYS A 403 14.877 -12.526 -5.101 1.00 0.00 C ATOM 996 O CYS A 403 14.363 -11.656 -4.402 1.00 0.00 O ATOM 997 CB CYS A 403 14.123 -11.262 -7.117 1.00 0.00 C ATOM 998 SG CYS A 403 15.373 -9.943 -6.955 1.00 0.00 S ATOM 0 H CYS A 403 12.903 -13.435 -7.127 1.00 0.00 H new ATOM 0 HA CYS A 403 15.659 -12.705 -7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 403 13.818 -11.362 -8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 403 13.231 -11.003 -6.547 1.00 0.00 H new ATOM 0 HG CYS A 403 15.476 -9.302 -8.081 1.00 0.00 H new ATOM 1003 N GLN A 404 15.563 -13.555 -4.632 1.00 0.00 N ATOM 1004 CA GLN A 404 15.985 -13.874 -3.259 1.00 0.00 C ATOM 1005 C GLN A 404 16.412 -12.673 -2.383 1.00 0.00 C ATOM 1006 O GLN A 404 16.553 -12.849 -1.169 1.00 0.00 O ATOM 1007 CB GLN A 404 17.098 -14.943 -3.285 1.00 0.00 C ATOM 1008 CG GLN A 404 16.626 -16.354 -3.667 1.00 0.00 C ATOM 1009 CD GLN A 404 15.716 -16.982 -2.611 1.00 0.00 C ATOM 1010 OE1 GLN A 404 14.497 -16.891 -2.663 1.00 0.00 O ATOM 1011 NE2 GLN A 404 16.266 -17.642 -1.611 1.00 0.00 N ATOM 0 H GLN A 404 15.880 -14.280 -5.275 1.00 0.00 H new ATOM 0 HA GLN A 404 15.086 -14.254 -2.774 1.00 0.00 H new ATOM 0 HB2 GLN A 404 17.868 -14.629 -3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 404 17.565 -14.985 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 404 16.094 -16.309 -4.617 1.00 0.00 H new ATOM 0 HG3 GLN A 404 17.495 -16.994 -3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 404 17.281 -17.727 -1.553 1.00 0.00 H new ATOM 0 HE22 GLN A 404 15.677 -18.068 -0.895 1.00 0.00 H new ATOM 1020 N VAL A 405 16.574 -11.460 -2.942 1.00 0.00 N ATOM 1021 CA VAL A 405 16.784 -10.223 -2.164 1.00 0.00 C ATOM 1022 C VAL A 405 15.616 -10.114 -1.177 1.00 0.00 C ATOM 1023 O VAL A 405 14.462 -10.127 -1.606 1.00 0.00 O ATOM 1024 CB VAL A 405 16.803 -8.975 -3.068 1.00 0.00 C ATOM 1025 CG1 VAL A 405 17.094 -7.707 -2.254 1.00 0.00 C ATOM 1026 CG2 VAL A 405 17.861 -9.084 -4.167 1.00 0.00 C ATOM 0 H VAL A 405 16.563 -11.308 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 405 17.748 -10.269 -1.656 1.00 0.00 H new ATOM 0 HB VAL A 405 15.814 -8.913 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 405 17.101 -6.842 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 405 16.322 -7.576 -1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 405 18.066 -7.801 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 405 17.841 -8.184 -4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 405 18.846 -9.192 -3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 405 17.650 -9.953 -4.790 1.00 0.00 H new ATOM 1036 N ALA A 406 15.902 -10.061 0.127 1.00 0.00 N ATOM 1037 CA ALA A 406 14.910 -10.105 1.209 1.00 0.00 C ATOM 1038 C ALA A 406 13.567 -9.412 0.913 1.00 0.00 C ATOM 1039 O ALA A 406 12.526 -10.071 0.834 1.00 0.00 O ATOM 1040 CB ALA A 406 15.567 -9.593 2.498 1.00 0.00 C ATOM 0 H ALA A 406 16.859 -9.984 0.471 1.00 0.00 H new ATOM 0 HA ALA A 406 14.613 -11.148 1.323 1.00 0.00 H new ATOM 0 HB1 ALA A 406 14.842 -9.620 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 406 16.418 -10.227 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 406 15.909 -8.569 2.350 1.00 0.00 H new ATOM 1046 N HIS A 407 13.585 -8.090 0.725 1.00 0.00 N ATOM 1047 CA HIS A 407 12.358 -7.330 0.474 1.00 0.00 C ATOM 1048 C HIS A 407 11.690 -7.640 -0.875 1.00 0.00 C ATOM 1049 O HIS A 407 10.463 -7.627 -0.911 1.00 0.00 O ATOM 1050 CB HIS A 407 12.574 -5.819 0.648 1.00 0.00 C ATOM 1051 CG HIS A 407 13.353 -5.438 1.883 1.00 0.00 C ATOM 1052 ND1 HIS A 407 14.612 -4.881 1.911 1.00 0.00 N ATOM 1053 CD2 HIS A 407 12.951 -5.591 3.183 1.00 0.00 C ATOM 1054 CE1 HIS A 407 14.963 -4.701 3.196 1.00 0.00 C ATOM 1055 NE2 HIS A 407 13.980 -5.124 4.013 1.00 0.00 N ATOM 0 H HIS A 407 14.434 -7.525 0.742 1.00 0.00 H new ATOM 0 HA HIS A 407 11.658 -7.669 1.238 1.00 0.00 H new ATOM 0 HB2 HIS A 407 13.096 -5.436 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 407 11.602 -5.327 0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 407 12.007 -6.000 3.511 1.00 0.00 H new ATOM 0 HE1 HIS A 407 15.900 -4.277 3.526 1.00 0.00 H new ATOM 0 HE2 HIS A 407 13.983 -5.108 5.033 1.00 0.00 H new ATOM 1063 N CYS A 408 12.423 -7.954 -1.957 1.00 0.00 N ATOM 1064 CA CYS A 408 11.807 -8.288 -3.248 1.00 0.00 C ATOM 1065 C CYS A 408 11.122 -9.664 -3.204 1.00 0.00 C ATOM 1066 O CYS A 408 9.914 -9.753 -3.456 1.00 0.00 O ATOM 1067 CB CYS A 408 12.865 -8.204 -4.355 1.00 0.00 C ATOM 1068 SG CYS A 408 12.083 -8.462 -5.977 1.00 0.00 S ATOM 0 H CYS A 408 13.443 -7.983 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 408 11.022 -7.564 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 408 13.356 -7.231 -4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 408 13.637 -8.955 -4.190 1.00 0.00 H new ATOM 0 HG CYS A 408 12.284 -7.419 -6.726 1.00 0.00 H new ATOM 1073 N ALA A 409 11.861 -10.712 -2.812 1.00 0.00 N ATOM 1074 CA ALA A 409 11.330 -12.065 -2.654 1.00 0.00 C ATOM 1075 C ALA A 409 10.097 -12.053 -1.737 1.00 0.00 C ATOM 1076 O ALA A 409 9.048 -12.586 -2.111 1.00 0.00 O ATOM 1077 CB ALA A 409 12.418 -13.003 -2.112 1.00 0.00 C ATOM 0 H ALA A 409 12.855 -10.638 -2.594 1.00 0.00 H new ATOM 0 HA ALA A 409 11.018 -12.438 -3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 409 12.009 -14.007 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 409 13.256 -13.029 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 409 12.762 -12.640 -1.143 1.00 0.00 H new ATOM 1083 N SER A 410 10.197 -11.392 -0.573 1.00 0.00 N ATOM 1084 CA SER A 410 9.062 -11.279 0.346 1.00 0.00 C ATOM 1085 C SER A 410 7.914 -10.514 -0.307 1.00 0.00 C ATOM 1086 O SER A 410 6.851 -11.100 -0.477 1.00 0.00 O ATOM 1087 CB SER A 410 9.451 -10.635 1.682 1.00 0.00 C ATOM 1088 OG SER A 410 10.224 -11.545 2.449 1.00 0.00 O ATOM 0 H SER A 410 11.048 -10.932 -0.251 1.00 0.00 H new ATOM 0 HA SER A 410 8.730 -12.293 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.019 -9.722 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 410 8.555 -10.351 2.233 1.00 0.00 H new ATOM 0 HG SER A 410 11.176 -11.395 2.273 1.00 0.00 H new ATOM 1094 N SER A 411 8.113 -9.257 -0.725 1.00 0.00 N ATOM 1095 CA SER A 411 7.088 -8.408 -1.358 1.00 0.00 C ATOM 1096 C SER A 411 6.280 -9.135 -2.436 1.00 0.00 C ATOM 1097 O SER A 411 5.053 -9.184 -2.368 1.00 0.00 O ATOM 1098 CB SER A 411 7.747 -7.151 -1.961 1.00 0.00 C ATOM 1099 OG SER A 411 6.803 -6.304 -2.574 1.00 0.00 O ATOM 0 H SER A 411 9.014 -8.788 -0.631 1.00 0.00 H new ATOM 0 HA SER A 411 6.386 -8.130 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 411 8.270 -6.604 -1.177 1.00 0.00 H new ATOM 0 HB3 SER A 411 8.496 -7.450 -2.694 1.00 0.00 H new ATOM 0 HG SER A 411 7.269 -5.605 -3.078 1.00 0.00 H new ATOM 1105 N ARG A 412 6.953 -9.775 -3.395 1.00 0.00 N ATOM 1106 CA ARG A 412 6.306 -10.566 -4.454 1.00 0.00 C ATOM 1107 C ARG A 412 5.562 -11.776 -3.898 1.00 0.00 C ATOM 1108 O ARG A 412 4.435 -12.015 -4.324 1.00 0.00 O ATOM 1109 CB ARG A 412 7.345 -10.976 -5.508 1.00 0.00 C ATOM 1110 CG ARG A 412 7.523 -9.883 -6.577 1.00 0.00 C ATOM 1111 CD ARG A 412 6.634 -10.145 -7.801 1.00 0.00 C ATOM 1112 NE ARG A 412 7.005 -9.293 -8.949 1.00 0.00 N ATOM 1113 CZ ARG A 412 6.612 -9.446 -10.201 1.00 0.00 C ATOM 1114 NH1 ARG A 412 5.775 -10.376 -10.565 1.00 0.00 N ATOM 1115 NH2 ARG A 412 7.072 -8.655 -11.123 1.00 0.00 N ATOM 0 H ARG A 412 7.971 -9.761 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 412 5.552 -9.939 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 412 8.301 -11.171 -5.022 1.00 0.00 H new ATOM 0 HB3 ARG A 412 7.035 -11.906 -5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 412 7.278 -8.911 -6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 412 8.567 -9.841 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 412 6.713 -11.194 -8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 412 5.592 -9.964 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 412 7.627 -8.508 -8.756 1.00 0.00 H new ATOM 0 HH11 ARG A 412 5.397 -11.021 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 412 5.498 -10.459 -11.543 1.00 0.00 H new ATOM 0 HH21 ARG A 412 7.734 -7.919 -10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 412 6.771 -8.770 -12.091 1.00 0.00 H new ATOM 1129 N GLN A 413 6.130 -12.515 -2.943 1.00 0.00 N ATOM 1130 CA GLN A 413 5.444 -13.670 -2.335 1.00 0.00 C ATOM 1131 C GLN A 413 4.134 -13.276 -1.615 1.00 0.00 C ATOM 1132 O GLN A 413 3.096 -13.890 -1.873 1.00 0.00 O ATOM 1133 CB GLN A 413 6.410 -14.440 -1.417 1.00 0.00 C ATOM 1134 CG GLN A 413 7.418 -15.271 -2.237 1.00 0.00 C ATOM 1135 CD GLN A 413 8.576 -15.814 -1.396 1.00 0.00 C ATOM 1136 OE1 GLN A 413 8.434 -16.181 -0.236 1.00 0.00 O ATOM 1137 NE2 GLN A 413 9.773 -15.902 -1.944 1.00 0.00 N ATOM 0 H GLN A 413 7.063 -12.339 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 413 5.139 -14.337 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 413 6.947 -13.738 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 413 5.843 -15.098 -0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 413 6.896 -16.105 -2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 413 7.819 -14.654 -3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 413 9.916 -15.603 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 413 10.556 -16.270 -1.403 1.00 0.00 H new ATOM 1146 N ILE A 414 4.125 -12.225 -0.782 1.00 0.00 N ATOM 1147 CA ILE A 414 2.892 -11.724 -0.132 1.00 0.00 C ATOM 1148 C ILE A 414 1.863 -11.126 -1.071 1.00 0.00 C ATOM 1149 O ILE A 414 0.678 -11.420 -0.936 1.00 0.00 O ATOM 1150 CB ILE A 414 3.122 -10.744 1.035 1.00 0.00 C ATOM 1151 CG1 ILE A 414 4.387 -9.905 0.927 1.00 0.00 C ATOM 1152 CG2 ILE A 414 2.914 -11.447 2.384 1.00 0.00 C ATOM 1153 CD1 ILE A 414 4.555 -8.845 2.007 1.00 0.00 C ATOM 0 H ILE A 414 4.963 -11.697 -0.537 1.00 0.00 H new ATOM 0 HA ILE A 414 2.486 -12.652 0.271 1.00 0.00 H new ATOM 0 HB ILE A 414 2.350 -9.978 0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 414 5.249 -10.571 0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 414 4.397 -9.414 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 414 3.081 -10.737 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 414 1.895 -11.830 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 414 3.618 -12.274 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 414 5.486 -8.302 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 414 3.717 -8.149 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 414 4.583 -9.324 2.986 1.00 0.00 H new ATOM 1165 N ILE A 415 2.289 -10.296 -2.016 1.00 0.00 N ATOM 1166 CA ILE A 415 1.360 -9.703 -2.985 1.00 0.00 C ATOM 1167 C ILE A 415 0.796 -10.799 -3.904 1.00 0.00 C ATOM 1168 O ILE A 415 -0.374 -10.740 -4.272 1.00 0.00 O ATOM 1169 CB ILE A 415 2.054 -8.518 -3.679 1.00 0.00 C ATOM 1170 CG1 ILE A 415 1.767 -7.234 -2.859 1.00 0.00 C ATOM 1171 CG2 ILE A 415 1.700 -8.397 -5.168 1.00 0.00 C ATOM 1172 CD1 ILE A 415 2.127 -5.913 -3.548 1.00 0.00 C ATOM 0 H ILE A 415 3.263 -10.017 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 415 0.478 -9.277 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 415 3.131 -8.688 -3.692 1.00 0.00 H new ATOM 0 HG12 ILE A 415 0.707 -7.215 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 415 2.316 -7.294 -1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 415 2.222 -7.542 -5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 415 2.002 -9.306 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 415 0.624 -8.257 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 415 1.886 -5.080 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 415 3.193 -5.899 -3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 415 1.558 -5.818 -4.473 1.00 0.00 H new ATOM 1184 N SER A 416 1.572 -11.847 -4.203 1.00 0.00 N ATOM 1185 CA SER A 416 1.094 -13.003 -4.979 1.00 0.00 C ATOM 1186 C SER A 416 0.051 -13.786 -4.172 1.00 0.00 C ATOM 1187 O SER A 416 -1.019 -14.111 -4.694 1.00 0.00 O ATOM 1188 CB SER A 416 2.239 -13.894 -5.428 1.00 0.00 C ATOM 1189 OG SER A 416 1.758 -14.942 -6.253 1.00 0.00 O ATOM 0 H SER A 416 2.548 -11.920 -3.916 1.00 0.00 H new ATOM 0 HA SER A 416 0.617 -12.630 -5.885 1.00 0.00 H new ATOM 0 HB2 SER A 416 2.975 -13.303 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 416 2.746 -14.311 -4.558 1.00 0.00 H new ATOM 0 HG SER A 416 2.508 -15.506 -6.535 1.00 0.00 H new ATOM 1195 N HIS A 417 0.302 -14.003 -2.872 1.00 0.00 N ATOM 1196 CA HIS A 417 -0.690 -14.560 -1.950 1.00 0.00 C ATOM 1197 C HIS A 417 -1.972 -13.707 -1.975 1.00 0.00 C ATOM 1198 O HIS A 417 -3.040 -14.241 -2.259 1.00 0.00 O ATOM 1199 CB HIS A 417 -0.095 -14.695 -0.530 1.00 0.00 C ATOM 1200 CG HIS A 417 -1.100 -14.555 0.580 1.00 0.00 C ATOM 1201 ND1 HIS A 417 -1.259 -13.455 1.395 1.00 0.00 N ATOM 1202 CD2 HIS A 417 -2.237 -15.294 0.682 1.00 0.00 C ATOM 1203 CE1 HIS A 417 -2.482 -13.516 1.947 1.00 0.00 C ATOM 1204 NE2 HIS A 417 -3.123 -14.622 1.535 1.00 0.00 N ATOM 0 H HIS A 417 1.200 -13.796 -2.434 1.00 0.00 H new ATOM 0 HA HIS A 417 -0.963 -15.564 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 417 0.391 -15.667 -0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 417 0.679 -13.939 -0.400 1.00 0.00 H new ATOM 0 HD1 HIS A 417 -0.568 -12.722 1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 417 -2.425 -16.237 0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 417 -2.891 -12.781 2.625 1.00 0.00 H new ATOM 1212 N TRP A 418 -1.875 -12.395 -1.730 1.00 0.00 N ATOM 1213 CA TRP A 418 -3.023 -11.479 -1.718 1.00 0.00 C ATOM 1214 C TRP A 418 -3.818 -11.506 -3.035 1.00 0.00 C ATOM 1215 O TRP A 418 -5.051 -11.465 -3.010 1.00 0.00 O ATOM 1216 CB TRP A 418 -2.543 -10.066 -1.360 1.00 0.00 C ATOM 1217 CG TRP A 418 -3.608 -9.130 -0.874 1.00 0.00 C ATOM 1218 CD1 TRP A 418 -4.248 -9.225 0.315 1.00 0.00 C ATOM 1219 CD2 TRP A 418 -4.173 -7.953 -1.535 1.00 0.00 C ATOM 1220 NE1 TRP A 418 -5.162 -8.196 0.439 1.00 0.00 N ATOM 1221 CE2 TRP A 418 -5.162 -7.383 -0.673 1.00 0.00 C ATOM 1222 CE3 TRP A 418 -3.957 -7.311 -2.774 1.00 0.00 C ATOM 1223 CZ2 TRP A 418 -5.897 -6.239 -1.023 1.00 0.00 C ATOM 1224 CZ3 TRP A 418 -4.687 -6.160 -3.134 1.00 0.00 C ATOM 1225 CH2 TRP A 418 -5.654 -5.624 -2.263 1.00 0.00 C ATOM 0 H TRP A 418 -0.987 -11.934 -1.532 1.00 0.00 H new ATOM 0 HA TRP A 418 -3.723 -11.818 -0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 418 -1.774 -10.145 -0.591 1.00 0.00 H new ATOM 0 HB3 TRP A 418 -2.071 -9.627 -2.239 1.00 0.00 H new ATOM 0 HD1 TRP A 418 -4.071 -9.991 1.056 1.00 0.00 H new ATOM 0 HE1 TRP A 418 -5.762 -8.056 1.252 1.00 0.00 H new ATOM 0 HE3 TRP A 418 -3.221 -7.708 -3.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 418 -6.639 -5.837 -0.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 418 -4.503 -5.685 -4.086 1.00 0.00 H new ATOM 0 HH2 TRP A 418 -6.208 -4.742 -2.547 1.00 0.00 H new ATOM 1236 N LYS A 419 -3.132 -11.637 -4.184 1.00 0.00 N ATOM 1237 CA LYS A 419 -3.769 -11.770 -5.510 1.00 0.00 C ATOM 1238 C LYS A 419 -4.549 -13.089 -5.651 1.00 0.00 C ATOM 1239 O LYS A 419 -5.668 -13.089 -6.165 1.00 0.00 O ATOM 1240 CB LYS A 419 -2.698 -11.677 -6.612 1.00 0.00 C ATOM 1241 CG LYS A 419 -2.220 -10.240 -6.867 1.00 0.00 C ATOM 1242 CD LYS A 419 -0.950 -10.250 -7.737 1.00 0.00 C ATOM 1243 CE LYS A 419 -0.424 -8.845 -8.051 1.00 0.00 C ATOM 1244 NZ LYS A 419 -1.347 -8.062 -8.917 1.00 0.00 N ATOM 0 H LYS A 419 -2.113 -11.654 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 419 -4.485 -10.954 -5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 419 -1.844 -12.294 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 419 -3.100 -12.089 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 419 -3.005 -9.670 -7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 419 -2.016 -9.743 -5.919 1.00 0.00 H new ATOM 0 HD2 LYS A 419 -0.172 -10.817 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 419 -1.161 -10.769 -8.672 1.00 0.00 H new ATOM 0 HE2 LYS A 419 -0.264 -8.305 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 419 0.546 -8.927 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 419 -0.933 -7.128 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 419 -1.494 -8.568 -9.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 419 -2.260 -7.943 -8.433 1.00 0.00 H new ATOM 1258 N ASN A 420 -3.967 -14.207 -5.208 1.00 0.00 N ATOM 1259 CA ASN A 420 -4.564 -15.552 -5.276 1.00 0.00 C ATOM 1260 C ASN A 420 -5.602 -15.865 -4.172 1.00 0.00 C ATOM 1261 O ASN A 420 -6.361 -16.829 -4.311 1.00 0.00 O ATOM 1262 CB ASN A 420 -3.431 -16.594 -5.256 1.00 0.00 C ATOM 1263 CG ASN A 420 -2.703 -16.689 -6.588 1.00 0.00 C ATOM 1264 OD1 ASN A 420 -3.109 -17.408 -7.492 1.00 0.00 O ATOM 1265 ND2 ASN A 420 -1.618 -15.974 -6.764 1.00 0.00 N ATOM 0 H ASN A 420 -3.041 -14.206 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 420 -5.130 -15.593 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 420 -2.718 -16.335 -4.473 1.00 0.00 H new ATOM 0 HB3 ASN A 420 -3.844 -17.570 -5.001 1.00 0.00 H new ATOM 0 HD21 ASN A 420 -1.116 -16.018 -7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 420 -1.276 -15.373 -6.014 1.00 0.00 H new ATOM 1272 N CYS A 421 -5.612 -15.117 -3.064 1.00 0.00 N ATOM 1273 CA CYS A 421 -6.462 -15.338 -1.899 1.00 0.00 C ATOM 1274 C CYS A 421 -7.962 -15.047 -2.113 1.00 0.00 C ATOM 1275 O CYS A 421 -8.503 -14.016 -1.704 1.00 0.00 O ATOM 1276 CB CYS A 421 -5.870 -14.611 -0.685 1.00 0.00 C ATOM 1277 SG CYS A 421 -6.548 -15.342 0.832 1.00 0.00 S ATOM 0 H CYS A 421 -5.001 -14.308 -2.954 1.00 0.00 H new ATOM 0 HA CYS A 421 -6.457 -16.411 -1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -4.783 -14.694 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -6.108 -13.548 -0.730 1.00 0.00 H new ATOM 0 HG CYS A 421 -7.846 -15.281 0.801 1.00 0.00 H new ATOM 1282 N THR A 422 -8.662 -15.996 -2.732 1.00 0.00 N ATOM 1283 CA THR A 422 -10.129 -15.988 -2.907 1.00 0.00 C ATOM 1284 C THR A 422 -10.867 -16.362 -1.607 1.00 0.00 C ATOM 1285 O THR A 422 -12.099 -16.339 -1.554 1.00 0.00 O ATOM 1286 CB THR A 422 -10.544 -17.005 -3.984 1.00 0.00 C ATOM 1287 OG1 THR A 422 -10.018 -18.279 -3.660 1.00 0.00 O ATOM 1288 CG2 THR A 422 -10.032 -16.615 -5.371 1.00 0.00 C ATOM 0 H THR A 422 -8.219 -16.819 -3.141 1.00 0.00 H new ATOM 0 HA THR A 422 -10.401 -14.974 -3.199 1.00 0.00 H new ATOM 0 HB THR A 422 -11.634 -17.023 -4.008 1.00 0.00 H new ATOM 0 HG1 THR A 422 -10.284 -18.927 -4.346 1.00 0.00 H new ATOM 0 HG21 THR A 422 -10.349 -17.362 -6.099 1.00 0.00 H new ATOM 0 HG22 THR A 422 -10.438 -15.642 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 422 -8.943 -16.563 -5.356 1.00 0.00 H new ATOM 1296 N ARG A 423 -10.113 -16.738 -0.560 1.00 0.00 N ATOM 1297 CA ARG A 423 -10.594 -17.212 0.746 1.00 0.00 C ATOM 1298 C ARG A 423 -11.462 -16.185 1.488 1.00 0.00 C ATOM 1299 O ARG A 423 -11.261 -14.973 1.387 1.00 0.00 O ATOM 1300 CB ARG A 423 -9.404 -17.659 1.622 1.00 0.00 C ATOM 1301 CG ARG A 423 -8.307 -18.478 0.910 1.00 0.00 C ATOM 1302 CD ARG A 423 -8.790 -19.733 0.170 1.00 0.00 C ATOM 1303 NE ARG A 423 -7.641 -20.434 -0.441 1.00 0.00 N ATOM 1304 CZ ARG A 423 -7.066 -20.178 -1.605 1.00 0.00 C ATOM 1305 NH1 ARG A 423 -7.587 -19.390 -2.503 1.00 0.00 N ATOM 1306 NH2 ARG A 423 -5.920 -20.724 -1.896 1.00 0.00 N ATOM 0 H ARG A 423 -9.094 -16.718 -0.607 1.00 0.00 H new ATOM 0 HA ARG A 423 -11.242 -18.066 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -8.943 -16.771 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -9.791 -18.252 2.451 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -7.801 -17.829 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -7.565 -18.778 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -9.305 -20.398 0.863 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -9.509 -19.456 -0.601 1.00 0.00 H new ATOM 0 HE ARG A 423 -7.245 -21.205 0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -8.482 -18.935 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -7.099 -19.228 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -5.468 -21.347 -1.227 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -5.475 -20.528 -2.793 1.00 0.00 H new ATOM 1320 N HIS A 424 -12.428 -16.709 2.238 1.00 0.00 N ATOM 1321 CA HIS A 424 -13.428 -15.999 3.029 1.00 0.00 C ATOM 1322 C HIS A 424 -12.972 -15.465 4.406 1.00 0.00 C ATOM 1323 O HIS A 424 -13.759 -14.783 5.063 1.00 0.00 O ATOM 1324 CB HIS A 424 -14.699 -16.862 3.142 1.00 0.00 C ATOM 1325 CG HIS A 424 -14.611 -18.007 4.123 1.00 0.00 C ATOM 1326 ND1 HIS A 424 -14.210 -19.298 3.855 1.00 0.00 N ATOM 1327 CD2 HIS A 424 -14.969 -17.964 5.445 1.00 0.00 C ATOM 1328 CE1 HIS A 424 -14.310 -20.012 4.990 1.00 0.00 C ATOM 1329 NE2 HIS A 424 -14.774 -19.239 5.991 1.00 0.00 N ATOM 0 H HIS A 424 -12.540 -17.720 2.314 1.00 0.00 H new ATOM 0 HA HIS A 424 -13.631 -15.082 2.477 1.00 0.00 H new ATOM 0 HB2 HIS A 424 -15.531 -16.220 3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 424 -14.934 -17.265 2.157 1.00 0.00 H new ATOM 0 HD2 HIS A 424 -15.337 -17.098 5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 424 -14.055 -21.057 5.086 1.00 0.00 H new ATOM 0 HE2 HIS A 424 -14.949 -19.525 6.954 1.00 0.00 H new ATOM 1337 N ASP A 425 -11.781 -15.828 4.907 1.00 0.00 N ATOM 1338 CA ASP A 425 -11.346 -15.517 6.281 1.00 0.00 C ATOM 1339 C ASP A 425 -9.823 -15.390 6.502 1.00 0.00 C ATOM 1340 O ASP A 425 -9.302 -15.910 7.496 1.00 0.00 O ATOM 1341 CB ASP A 425 -11.987 -16.551 7.234 1.00 0.00 C ATOM 1342 CG ASP A 425 -11.379 -17.973 7.173 1.00 0.00 C ATOM 1343 OD1 ASP A 425 -10.930 -18.430 6.092 1.00 0.00 O ATOM 1344 OD2 ASP A 425 -11.368 -18.659 8.226 1.00 0.00 O ATOM 0 H ASP A 425 -11.088 -16.348 4.369 1.00 0.00 H new ATOM 0 HA ASP A 425 -11.696 -14.508 6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 425 -11.902 -16.181 8.256 1.00 0.00 H new ATOM 0 HB3 ASP A 425 -13.051 -16.619 7.007 1.00 0.00 H new ATOM 1349 N CYS A 426 -9.084 -14.691 5.626 1.00 0.00 N ATOM 1350 CA CYS A 426 -7.632 -14.570 5.820 1.00 0.00 C ATOM 1351 C CYS A 426 -7.322 -13.395 6.793 1.00 0.00 C ATOM 1352 O CYS A 426 -8.030 -12.382 6.751 1.00 0.00 O ATOM 1353 CB CYS A 426 -6.995 -14.448 4.442 1.00 0.00 C ATOM 1354 SG CYS A 426 -5.315 -15.150 4.418 1.00 0.00 S ATOM 0 H CYS A 426 -9.453 -14.215 4.803 1.00 0.00 H new ATOM 0 HA CYS A 426 -7.200 -15.448 6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 426 -7.615 -14.961 3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 426 -6.956 -13.399 4.150 1.00 0.00 H new ATOM 0 HG CYS A 426 -4.729 -14.835 3.301 1.00 0.00 H new ATOM 1359 N PRO A 427 -6.300 -13.494 7.674 1.00 0.00 N ATOM 1360 CA PRO A 427 -5.947 -12.488 8.692 1.00 0.00 C ATOM 1361 C PRO A 427 -5.669 -11.055 8.214 1.00 0.00 C ATOM 1362 O PRO A 427 -5.611 -10.143 9.041 1.00 0.00 O ATOM 1363 CB PRO A 427 -4.687 -13.024 9.388 1.00 0.00 C ATOM 1364 CG PRO A 427 -4.723 -14.525 9.138 1.00 0.00 C ATOM 1365 CD PRO A 427 -5.397 -14.626 7.777 1.00 0.00 C ATOM 0 HA PRO A 427 -6.827 -12.374 9.326 1.00 0.00 H new ATOM 0 HB2 PRO A 427 -3.784 -12.574 8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 427 -4.696 -12.799 10.454 1.00 0.00 H new ATOM 0 HG2 PRO A 427 -3.722 -14.957 9.126 1.00 0.00 H new ATOM 0 HG3 PRO A 427 -5.288 -15.050 9.909 1.00 0.00 H new ATOM 0 HD2 PRO A 427 -4.658 -14.605 6.976 1.00 0.00 H new ATOM 0 HD3 PRO A 427 -5.942 -15.565 7.684 1.00 0.00 H new ATOM 1373 N VAL A 428 -5.447 -10.852 6.911 1.00 0.00 N ATOM 1374 CA VAL A 428 -5.063 -9.560 6.310 1.00 0.00 C ATOM 1375 C VAL A 428 -5.960 -9.180 5.126 1.00 0.00 C ATOM 1376 O VAL A 428 -6.418 -8.035 5.025 1.00 0.00 O ATOM 1377 CB VAL A 428 -3.588 -9.635 5.883 1.00 0.00 C ATOM 1378 CG1 VAL A 428 -3.133 -8.262 5.380 1.00 0.00 C ATOM 1379 CG2 VAL A 428 -2.665 -10.058 7.029 1.00 0.00 C ATOM 0 H VAL A 428 -5.531 -11.600 6.222 1.00 0.00 H new ATOM 0 HA VAL A 428 -5.195 -8.776 7.055 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.521 -10.388 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -2.087 -8.314 5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -3.744 -7.966 4.527 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -3.244 -7.527 6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -1.636 -10.095 6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -2.742 -9.337 7.843 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -2.960 -11.044 7.389 1.00 0.00 H new ATOM 1389 N CYS A 429 -6.278 -10.169 4.287 1.00 0.00 N ATOM 1390 CA CYS A 429 -7.232 -10.088 3.194 1.00 0.00 C ATOM 1391 C CYS A 429 -8.594 -9.556 3.612 1.00 0.00 C ATOM 1392 O CYS A 429 -8.967 -8.487 3.148 1.00 0.00 O ATOM 1393 CB CYS A 429 -7.266 -11.402 2.389 1.00 0.00 C ATOM 1394 SG CYS A 429 -5.624 -12.198 2.431 1.00 0.00 S ATOM 0 H CYS A 429 -5.851 -11.093 4.361 1.00 0.00 H new ATOM 0 HA CYS A 429 -6.875 -9.324 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 429 -8.017 -12.074 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 429 -7.556 -11.200 1.358 1.00 0.00 H new ATOM 0 HG CYS A 429 -5.701 -13.380 1.896 1.00 0.00 H new ATOM 1399 N LEU A 430 -9.325 -10.245 4.489 1.00 0.00 N ATOM 1400 CA LEU A 430 -10.637 -9.804 4.943 1.00 0.00 C ATOM 1401 C LEU A 430 -10.656 -8.361 5.487 1.00 0.00 C ATOM 1402 O LEU A 430 -11.458 -7.571 4.972 1.00 0.00 O ATOM 1403 CB LEU A 430 -11.202 -10.894 5.854 1.00 0.00 C ATOM 1404 CG LEU A 430 -12.037 -11.927 5.087 1.00 0.00 C ATOM 1405 CD1 LEU A 430 -13.427 -11.399 4.734 1.00 0.00 C ATOM 1406 CD2 LEU A 430 -11.387 -12.481 3.817 1.00 0.00 C ATOM 0 H LEU A 430 -9.020 -11.126 4.903 1.00 0.00 H new ATOM 0 HA LEU A 430 -11.322 -9.698 4.102 1.00 0.00 H new ATOM 0 HB2 LEU A 430 -10.381 -11.400 6.362 1.00 0.00 H new ATOM 0 HB3 LEU A 430 -11.819 -10.434 6.626 1.00 0.00 H new ATOM 0 HG LEU A 430 -12.112 -12.754 5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 430 -13.981 -12.166 4.192 1.00 0.00 H new ATOM 0 HD12 LEU A 430 -13.962 -11.143 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 430 -13.331 -10.511 4.109 1.00 0.00 H new ATOM 0 HD21 LEU A 430 -12.058 -13.202 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 430 -11.192 -11.664 3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 430 -10.448 -12.972 4.073 1.00 0.00 H new ATOM 1418 N PRO A 431 -9.777 -7.957 6.428 1.00 0.00 N ATOM 1419 CA PRO A 431 -9.654 -6.558 6.836 1.00 0.00 C ATOM 1420 C PRO A 431 -9.521 -5.584 5.659 1.00 0.00 C ATOM 1421 O PRO A 431 -10.324 -4.658 5.531 1.00 0.00 O ATOM 1422 CB PRO A 431 -8.380 -6.499 7.679 1.00 0.00 C ATOM 1423 CG PRO A 431 -8.328 -7.880 8.318 1.00 0.00 C ATOM 1424 CD PRO A 431 -8.813 -8.766 7.169 1.00 0.00 C ATOM 0 HA PRO A 431 -10.554 -6.253 7.369 1.00 0.00 H new ATOM 0 HB2 PRO A 431 -7.500 -6.304 7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 431 -8.428 -5.709 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 431 -7.322 -8.144 8.643 1.00 0.00 H new ATOM 0 HG3 PRO A 431 -8.975 -7.952 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 431 -7.983 -9.069 6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 431 -9.275 -9.679 7.546 1.00 0.00 H new ATOM 1432 N LEU A 432 -8.522 -5.785 4.788 1.00 0.00 N ATOM 1433 CA LEU A 432 -8.275 -4.895 3.646 1.00 0.00 C ATOM 1434 C LEU A 432 -9.383 -4.920 2.595 1.00 0.00 C ATOM 1435 O LEU A 432 -9.621 -3.915 1.926 1.00 0.00 O ATOM 1436 CB LEU A 432 -6.937 -5.258 2.994 1.00 0.00 C ATOM 1437 CG LEU A 432 -5.819 -4.440 3.665 1.00 0.00 C ATOM 1438 CD1 LEU A 432 -4.510 -5.222 3.659 1.00 0.00 C ATOM 1439 CD2 LEU A 432 -5.628 -3.089 2.974 1.00 0.00 C ATOM 0 H LEU A 432 -7.867 -6.564 4.855 1.00 0.00 H new ATOM 0 HA LEU A 432 -8.251 -3.880 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 432 -6.741 -6.325 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 432 -6.969 -5.047 1.925 1.00 0.00 H new ATOM 0 HG LEU A 432 -6.116 -4.254 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 432 -3.730 -4.629 4.137 1.00 0.00 H new ATOM 0 HD12 LEU A 432 -4.642 -6.156 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 432 -4.221 -5.440 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 432 -4.832 -2.535 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 432 -5.361 -3.249 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 432 -6.555 -2.518 3.028 1.00 0.00 H new