USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 616 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 49 TYR OH : rot -153:sc= 0.0766 USER MOD Set 1.2: A 69 GLN : amide:sc= -1.32 K(o=-1.2,f=-2.8) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.598 K(o=0.6,f=-5.2!) USER MOD Single : A 33 SER OG : rot -26:sc= 0.159 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -59:sc= 1.21 USER MOD Single : A 57 SER OG : rot 135:sc= -0.252 USER MOD Single : A 62 SER OG : rot 120:sc= -2.62! USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.149) USER MOD Single : A 74 ASN : amide:sc= -0.643 K(o=-0.64,f=1.2) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.89) USER MOD Single : A 83 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0.022) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.146) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 71:sc= -0.526 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -5.575 11.317 6.466 1.00 0.00 N ATOM 272 CA GLU A 21 -5.251 10.165 5.631 1.00 0.00 C ATOM 273 C GLU A 21 -6.518 9.505 5.098 1.00 0.00 C ATOM 274 O GLU A 21 -7.608 9.711 5.632 1.00 0.00 O ATOM 275 CB GLU A 21 -4.429 9.149 6.426 1.00 0.00 C ATOM 276 CG GLU A 21 -3.059 9.664 6.840 1.00 0.00 C ATOM 277 CD GLU A 21 -2.915 9.796 8.343 1.00 0.00 C ATOM 278 OE1 GLU A 21 -2.881 8.754 9.030 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.837 10.942 8.834 1.00 0.00 O ATOM 0 HA GLU A 21 -4.662 10.516 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.985 8.863 7.319 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.303 8.247 5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.292 8.988 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.884 10.634 6.375 1.00 0.00 H new ATOM 286 N LYS A 22 -6.368 8.713 4.042 1.00 0.00 N ATOM 287 CA LYS A 22 -7.502 8.023 3.436 1.00 0.00 C ATOM 288 C LYS A 22 -7.231 6.526 3.324 1.00 0.00 C ATOM 289 O LYS A 22 -6.085 6.084 3.406 1.00 0.00 O ATOM 290 CB LYS A 22 -7.799 8.605 2.054 1.00 0.00 C ATOM 291 CG LYS A 22 -9.241 8.412 1.610 1.00 0.00 C ATOM 292 CD LYS A 22 -9.572 9.275 0.403 1.00 0.00 C ATOM 293 CE LYS A 22 -9.547 8.467 -0.885 1.00 0.00 C ATOM 294 NZ LYS A 22 -9.829 9.312 -2.078 1.00 0.00 N ATOM 0 H LYS A 22 -5.473 8.533 3.588 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.371 8.169 4.078 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.569 9.670 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.137 8.140 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.411 7.363 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.912 8.661 2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.557 9.722 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.857 10.094 0.333 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.571 7.994 -0.998 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.284 7.666 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.802 8.723 -2.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.771 9.743 -1.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.111 10.061 -2.150 1.00 0.00 H new ATOM 308 N LYS A 23 -8.294 5.751 3.133 1.00 0.00 N ATOM 309 CA LYS A 23 -8.170 4.303 3.008 1.00 0.00 C ATOM 310 C LYS A 23 -9.004 3.784 1.839 1.00 0.00 C ATOM 311 O LYS A 23 -10.156 4.181 1.662 1.00 0.00 O ATOM 312 CB LYS A 23 -8.606 3.619 4.307 1.00 0.00 C ATOM 313 CG LYS A 23 -7.582 2.632 4.847 1.00 0.00 C ATOM 314 CD LYS A 23 -6.943 3.135 6.133 1.00 0.00 C ATOM 315 CE LYS A 23 -5.469 2.777 6.200 1.00 0.00 C ATOM 316 NZ LYS A 23 -5.030 2.484 7.592 1.00 0.00 N ATOM 0 H LYS A 23 -9.249 6.101 3.061 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.123 4.067 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.798 4.381 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.547 3.096 4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.063 1.671 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.809 2.463 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.059 4.217 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.462 2.706 6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.277 1.909 5.569 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.877 3.600 5.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.018 2.244 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.189 3.320 8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.576 1.682 7.967 1.00 0.00 H new ATOM 330 N VAL A 24 -8.414 2.898 1.045 1.00 0.00 N ATOM 331 CA VAL A 24 -9.102 2.326 -0.106 1.00 0.00 C ATOM 332 C VAL A 24 -9.138 0.805 -0.026 1.00 0.00 C ATOM 333 O VAL A 24 -8.231 0.126 -0.508 1.00 0.00 O ATOM 334 CB VAL A 24 -8.429 2.743 -1.428 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.271 2.309 -2.618 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.187 4.245 -1.454 1.00 0.00 C ATOM 0 H VAL A 24 -7.461 2.560 1.177 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.121 2.712 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.463 2.242 -1.496 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.779 2.613 -3.542 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.385 1.225 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.253 2.778 -2.559 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.711 4.521 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.139 4.769 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.538 4.523 -0.624 1.00 0.00 H new ATOM 346 N ASN A 25 -10.191 0.273 0.586 1.00 0.00 N ATOM 347 CA ASN A 25 -10.345 -1.170 0.730 1.00 0.00 C ATOM 348 C ASN A 25 -10.795 -1.802 -0.582 1.00 0.00 C ATOM 349 O ASN A 25 -11.863 -1.482 -1.103 1.00 0.00 O ATOM 350 CB ASN A 25 -11.354 -1.488 1.836 1.00 0.00 C ATOM 351 CG ASN A 25 -12.660 -0.740 1.659 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.673 0.478 1.480 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.770 -1.467 1.709 1.00 0.00 N ATOM 0 H ASN A 25 -10.951 0.820 0.990 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.376 -1.589 1.000 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.551 -2.560 1.847 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.921 -1.234 2.803 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.679 -1.018 1.597 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.714 -2.474 1.859 1.00 0.00 H new ATOM 360 N LEU A 26 -9.974 -2.704 -1.112 1.00 0.00 N ATOM 361 CA LEU A 26 -10.288 -3.383 -2.364 1.00 0.00 C ATOM 362 C LEU A 26 -10.296 -4.896 -2.174 1.00 0.00 C ATOM 363 O LEU A 26 -9.420 -5.453 -1.513 1.00 0.00 O ATOM 364 CB LEU A 26 -9.277 -2.998 -3.446 1.00 0.00 C ATOM 365 CG LEU A 26 -9.153 -1.497 -3.711 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.050 -1.223 -4.721 1.00 0.00 C ATOM 367 CD2 LEU A 26 -10.478 -0.931 -4.199 1.00 0.00 C ATOM 0 H LEU A 26 -9.086 -2.981 -0.693 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.283 -3.069 -2.679 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.298 -3.383 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.556 -3.494 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.892 -1.002 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.976 -0.150 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.101 -1.593 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.281 -1.729 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.371 0.138 -4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.769 -1.431 -5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.245 -1.094 -3.441 1.00 0.00 H new ATOM 379 N VAL A 27 -11.290 -5.555 -2.761 1.00 0.00 N ATOM 380 CA VAL A 27 -11.412 -7.004 -2.658 1.00 0.00 C ATOM 381 C VAL A 27 -11.243 -7.668 -4.020 1.00 0.00 C ATOM 382 O VAL A 27 -12.112 -7.562 -4.885 1.00 0.00 O ATOM 383 CB VAL A 27 -12.774 -7.413 -2.066 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.807 -8.906 -1.781 1.00 0.00 C ATOM 385 CG2 VAL A 27 -13.069 -6.615 -0.806 1.00 0.00 C ATOM 0 H VAL A 27 -12.022 -5.108 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.618 -7.341 -1.991 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.549 -7.191 -2.799 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.777 -9.175 -1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.645 -9.457 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -12.022 -9.158 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.035 -6.917 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -12.291 -6.803 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.093 -5.552 -1.046 1.00 0.00 H new ATOM 395 N LEU A 28 -10.118 -8.352 -4.203 1.00 0.00 N ATOM 396 CA LEU A 28 -9.835 -9.034 -5.462 1.00 0.00 C ATOM 397 C LEU A 28 -10.238 -10.503 -5.387 1.00 0.00 C ATOM 398 O LEU A 28 -10.449 -11.046 -4.302 1.00 0.00 O ATOM 399 CB LEU A 28 -8.349 -8.919 -5.805 1.00 0.00 C ATOM 400 CG LEU A 28 -7.748 -7.523 -5.621 1.00 0.00 C ATOM 401 CD1 LEU A 28 -6.271 -7.620 -5.274 1.00 0.00 C ATOM 402 CD2 LEU A 28 -7.949 -6.690 -6.878 1.00 0.00 C ATOM 0 H LEU A 28 -9.388 -8.449 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.421 -8.554 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.793 -9.622 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.206 -9.226 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.262 -7.031 -4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.861 -6.618 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.151 -8.182 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.741 -8.130 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.516 -5.700 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.460 -7.179 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.015 -6.593 -7.084 1.00 0.00 H new ATOM 464 N SER A 33 -6.335 -6.939 -10.135 1.00 0.00 N ATOM 465 CA SER A 33 -5.227 -6.071 -9.754 1.00 0.00 C ATOM 466 C SER A 33 -5.698 -4.631 -9.585 1.00 0.00 C ATOM 467 O SER A 33 -6.836 -4.296 -9.913 1.00 0.00 O ATOM 468 CB SER A 33 -4.117 -6.137 -10.804 1.00 0.00 C ATOM 469 OG SER A 33 -4.629 -5.898 -12.104 1.00 0.00 O ATOM 0 HA SER A 33 -4.835 -6.420 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.348 -5.400 -10.572 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.640 -7.117 -10.772 1.00 0.00 H new ATOM 0 HG SER A 33 -5.576 -6.150 -12.134 1.00 0.00 H new ATOM 475 N LEU A 34 -4.814 -3.781 -9.070 1.00 0.00 N ATOM 476 CA LEU A 34 -5.139 -2.376 -8.858 1.00 0.00 C ATOM 477 C LEU A 34 -5.037 -1.591 -10.162 1.00 0.00 C ATOM 478 O LEU A 34 -5.818 -0.673 -10.408 1.00 0.00 O ATOM 479 CB LEU A 34 -4.206 -1.769 -7.807 1.00 0.00 C ATOM 480 CG LEU A 34 -4.075 -2.576 -6.516 1.00 0.00 C ATOM 481 CD1 LEU A 34 -2.764 -2.257 -5.816 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.255 -2.300 -5.594 1.00 0.00 C ATOM 0 H LEU A 34 -3.868 -4.042 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.167 -2.316 -8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.215 -1.652 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.564 -0.770 -7.558 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.077 -3.636 -6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.690 -2.842 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.931 -2.505 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.730 -1.195 -5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.146 -2.883 -4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.283 -1.239 -5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.182 -2.581 -6.095 1.00 0.00 H new ATOM 494 N GLY A 35 -4.068 -1.961 -10.994 1.00 0.00 N ATOM 495 CA GLY A 35 -3.881 -1.281 -12.263 1.00 0.00 C ATOM 496 C GLY A 35 -3.427 0.155 -12.091 1.00 0.00 C ATOM 497 O GLY A 35 -3.886 1.048 -12.804 1.00 0.00 O ATOM 0 H GLY A 35 -3.410 -2.719 -10.812 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.145 -1.823 -12.857 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.817 -1.298 -12.822 1.00 0.00 H new ATOM 501 N LEU A 36 -2.522 0.378 -11.144 1.00 0.00 N ATOM 502 CA LEU A 36 -2.004 1.716 -10.882 1.00 0.00 C ATOM 503 C LEU A 36 -0.508 1.787 -11.172 1.00 0.00 C ATOM 504 O LEU A 36 0.246 0.883 -10.816 1.00 0.00 O ATOM 505 CB LEU A 36 -2.273 2.114 -9.428 1.00 0.00 C ATOM 506 CG LEU A 36 -3.750 2.259 -9.059 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.944 2.093 -7.560 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.283 3.606 -9.522 1.00 0.00 C ATOM 0 H LEU A 36 -2.132 -0.350 -10.545 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.518 2.413 -11.544 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.822 1.368 -8.774 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.770 3.060 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.312 1.474 -9.566 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.001 2.199 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.599 1.105 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.371 2.856 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.335 3.693 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.718 4.405 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.178 3.686 -10.604 1.00 0.00 H new ATOM 520 N THR A 37 -0.089 2.869 -11.819 1.00 0.00 N ATOM 521 CA THR A 37 1.317 3.060 -12.157 1.00 0.00 C ATOM 522 C THR A 37 2.024 3.895 -11.094 1.00 0.00 C ATOM 523 O THR A 37 2.134 5.114 -11.220 1.00 0.00 O ATOM 524 CB THR A 37 1.448 3.735 -13.522 1.00 0.00 C ATOM 525 OG1 THR A 37 0.568 3.145 -14.461 1.00 0.00 O ATOM 526 CG2 THR A 37 2.848 3.660 -14.095 1.00 0.00 C ATOM 0 H THR A 37 -0.702 3.627 -12.120 1.00 0.00 H new ATOM 0 HA THR A 37 1.791 2.079 -12.198 1.00 0.00 H new ATOM 0 HB THR A 37 1.198 4.782 -13.351 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.666 3.592 -15.327 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.872 4.158 -15.064 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.545 4.152 -13.417 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.136 2.616 -14.216 1.00 0.00 H new ATOM 534 N ILE A 38 2.501 3.229 -10.047 1.00 0.00 N ATOM 535 CA ILE A 38 3.197 3.910 -8.963 1.00 0.00 C ATOM 536 C ILE A 38 4.580 4.377 -9.404 1.00 0.00 C ATOM 537 O ILE A 38 5.196 3.779 -10.286 1.00 0.00 O ATOM 538 CB ILE A 38 3.345 2.998 -7.730 1.00 0.00 C ATOM 539 CG1 ILE A 38 4.033 1.687 -8.118 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.985 2.725 -7.105 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.607 0.935 -6.937 1.00 0.00 C ATOM 0 H ILE A 38 2.418 2.219 -9.927 1.00 0.00 H new ATOM 0 HA ILE A 38 2.592 4.777 -8.695 1.00 0.00 H new ATOM 0 HB ILE A 38 3.965 3.507 -6.992 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.315 1.047 -8.632 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.833 1.901 -8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.107 2.079 -6.235 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.531 3.667 -6.797 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.341 2.233 -7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.079 0.016 -7.285 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.349 1.557 -6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.807 0.689 -6.238 1.00 0.00 H new ATOM 553 N ARG A 39 5.061 5.451 -8.785 1.00 0.00 N ATOM 554 CA ARG A 39 6.371 5.999 -9.114 1.00 0.00 C ATOM 555 C ARG A 39 7.167 6.303 -7.848 1.00 0.00 C ATOM 556 O ARG A 39 6.594 6.506 -6.778 1.00 0.00 O ATOM 557 CB ARG A 39 6.221 7.270 -9.951 1.00 0.00 C ATOM 558 CG ARG A 39 5.397 8.351 -9.271 1.00 0.00 C ATOM 559 CD ARG A 39 5.908 9.741 -9.619 1.00 0.00 C ATOM 560 NE ARG A 39 5.419 10.753 -8.686 1.00 0.00 N ATOM 561 CZ ARG A 39 5.517 12.063 -8.895 1.00 0.00 C ATOM 562 NH1 ARG A 39 6.084 12.525 -10.002 1.00 0.00 N ATOM 563 NH2 ARG A 39 5.045 12.916 -7.994 1.00 0.00 N ATOM 0 H ARG A 39 4.563 5.958 -8.053 1.00 0.00 H new ATOM 0 HA ARG A 39 6.913 5.252 -9.694 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.211 7.666 -10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.756 7.015 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.354 8.259 -9.573 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.430 8.210 -8.191 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.998 9.739 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.596 9.999 -10.631 1.00 0.00 H new ATOM 0 HE ARG A 39 4.976 10.436 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.448 11.875 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.156 13.531 -10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.607 12.567 -7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.120 13.921 -8.154 1.00 0.00 H new ATOM 577 N GLY A 40 8.489 6.331 -7.979 1.00 0.00 N ATOM 578 CA GLY A 40 9.340 6.611 -6.838 1.00 0.00 C ATOM 579 C GLY A 40 9.537 5.398 -5.949 1.00 0.00 C ATOM 580 O GLY A 40 8.666 4.532 -5.868 1.00 0.00 O ATOM 0 H GLY A 40 8.986 6.165 -8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.310 6.961 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.903 7.420 -6.252 1.00 0.00 H new ATOM 584 N GLY A 41 10.684 5.337 -5.281 1.00 0.00 N ATOM 585 CA GLY A 41 10.972 4.219 -4.402 1.00 0.00 C ATOM 586 C GLY A 41 12.038 4.548 -3.376 1.00 0.00 C ATOM 587 O GLY A 41 12.670 5.603 -3.445 1.00 0.00 O ATOM 0 H GLY A 41 11.419 6.042 -5.333 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.058 3.920 -3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.297 3.366 -4.998 1.00 0.00 H new ATOM 591 N ALA A 42 12.240 3.644 -2.423 1.00 0.00 N ATOM 592 CA ALA A 42 13.237 3.844 -1.379 1.00 0.00 C ATOM 593 C ALA A 42 14.636 3.973 -1.974 1.00 0.00 C ATOM 594 O ALA A 42 15.496 4.658 -1.419 1.00 0.00 O ATOM 595 CB ALA A 42 13.191 2.699 -0.380 1.00 0.00 C ATOM 0 H ALA A 42 11.726 2.766 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 42 13.003 4.774 -0.861 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.941 2.861 0.394 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.202 2.654 0.076 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.397 1.760 -0.893 1.00 0.00 H new ATOM 601 N GLU A 43 14.857 3.311 -3.105 1.00 0.00 N ATOM 602 CA GLU A 43 16.152 3.351 -3.774 1.00 0.00 C ATOM 603 C GLU A 43 16.380 4.702 -4.442 1.00 0.00 C ATOM 604 O GLU A 43 17.514 5.165 -4.560 1.00 0.00 O ATOM 605 CB GLU A 43 16.247 2.233 -4.814 1.00 0.00 C ATOM 606 CG GLU A 43 17.646 2.041 -5.374 1.00 0.00 C ATOM 607 CD GLU A 43 17.971 0.585 -5.648 1.00 0.00 C ATOM 608 OE1 GLU A 43 17.477 -0.283 -4.900 1.00 0.00 O ATOM 609 OE2 GLU A 43 18.718 0.315 -6.612 1.00 0.00 O ATOM 0 H GLU A 43 14.156 2.740 -3.577 1.00 0.00 H new ATOM 0 HA GLU A 43 16.926 3.204 -3.020 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.914 1.299 -4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.563 2.452 -5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.745 2.611 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.374 2.445 -4.670 1.00 0.00 H new ATOM 616 N TYR A 44 15.294 5.333 -4.879 1.00 0.00 N ATOM 617 CA TYR A 44 15.378 6.632 -5.536 1.00 0.00 C ATOM 618 C TYR A 44 15.149 7.770 -4.544 1.00 0.00 C ATOM 619 O TYR A 44 14.840 8.895 -4.938 1.00 0.00 O ATOM 620 CB TYR A 44 14.356 6.719 -6.672 1.00 0.00 C ATOM 621 CG TYR A 44 14.709 5.869 -7.871 1.00 0.00 C ATOM 622 CD1 TYR A 44 15.657 6.293 -8.793 1.00 0.00 C ATOM 623 CD2 TYR A 44 14.093 4.641 -8.081 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.982 5.518 -9.891 1.00 0.00 C ATOM 625 CE2 TYR A 44 14.413 3.860 -9.176 1.00 0.00 C ATOM 626 CZ TYR A 44 15.357 4.303 -10.077 1.00 0.00 C ATOM 627 OH TYR A 44 15.678 3.529 -11.169 1.00 0.00 O ATOM 0 H TYR A 44 14.347 4.966 -4.790 1.00 0.00 H new ATOM 0 HA TYR A 44 16.382 6.734 -5.947 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.380 6.413 -6.295 1.00 0.00 H new ATOM 0 HB3 TYR A 44 14.265 7.758 -6.988 1.00 0.00 H new ATOM 0 HD1 TYR A 44 16.149 7.244 -8.650 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.352 4.291 -7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 44 16.721 5.862 -10.599 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.926 2.908 -9.325 1.00 0.00 H new ATOM 0 HH TYR A 44 15.149 2.704 -11.152 1.00 0.00 H new ATOM 637 N GLY A 45 15.302 7.474 -3.255 1.00 0.00 N ATOM 638 CA GLY A 45 15.107 8.486 -2.232 1.00 0.00 C ATOM 639 C GLY A 45 13.777 9.204 -2.362 1.00 0.00 C ATOM 640 O GLY A 45 13.638 10.348 -1.932 1.00 0.00 O ATOM 0 H GLY A 45 15.557 6.552 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.168 8.019 -1.249 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.915 9.215 -2.289 1.00 0.00 H new ATOM 644 N LEU A 46 12.798 8.530 -2.958 1.00 0.00 N ATOM 645 CA LEU A 46 11.474 9.113 -3.143 1.00 0.00 C ATOM 646 C LEU A 46 10.386 8.160 -2.659 1.00 0.00 C ATOM 647 O LEU A 46 10.458 6.952 -2.886 1.00 0.00 O ATOM 648 CB LEU A 46 11.246 9.455 -4.617 1.00 0.00 C ATOM 649 CG LEU A 46 9.924 10.160 -4.920 1.00 0.00 C ATOM 650 CD1 LEU A 46 9.927 11.569 -4.350 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.669 10.191 -6.420 1.00 0.00 C ATOM 0 H LEU A 46 12.896 7.582 -3.320 1.00 0.00 H new ATOM 0 HA LEU A 46 11.422 10.027 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.065 10.089 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.291 8.535 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 46 9.119 9.600 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.978 12.055 -4.576 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.064 11.524 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.742 12.140 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.724 10.696 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.478 10.727 -6.916 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.622 9.171 -6.802 1.00 0.00 H new ATOM 663 N GLY A 47 9.379 8.711 -1.989 1.00 0.00 N ATOM 664 CA GLY A 47 8.291 7.896 -1.484 1.00 0.00 C ATOM 665 C GLY A 47 7.522 7.202 -2.592 1.00 0.00 C ATOM 666 O GLY A 47 7.886 7.301 -3.764 1.00 0.00 O ATOM 0 H GLY A 47 9.298 9.707 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.690 7.148 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.608 8.522 -0.910 1.00 0.00 H new ATOM 670 N ILE A 48 6.457 6.499 -2.221 1.00 0.00 N ATOM 671 CA ILE A 48 5.637 5.786 -3.192 1.00 0.00 C ATOM 672 C ILE A 48 4.396 6.592 -3.561 1.00 0.00 C ATOM 673 O ILE A 48 3.532 6.840 -2.720 1.00 0.00 O ATOM 674 CB ILE A 48 5.199 4.409 -2.656 1.00 0.00 C ATOM 675 CG1 ILE A 48 6.401 3.653 -2.089 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.527 3.602 -3.756 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.515 3.450 -3.093 1.00 0.00 C ATOM 0 H ILE A 48 6.142 6.408 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 48 6.253 5.643 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 48 4.478 4.560 -1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.792 4.199 -1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.070 2.681 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.223 2.632 -3.362 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.649 4.138 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.226 3.456 -4.579 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.335 2.907 -2.622 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.140 2.877 -3.941 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.874 4.419 -3.440 1.00 0.00 H new ATOM 689 N TYR A 49 4.316 7.001 -4.824 1.00 0.00 N ATOM 690 CA TYR A 49 3.181 7.780 -5.305 1.00 0.00 C ATOM 691 C TYR A 49 2.451 7.043 -6.424 1.00 0.00 C ATOM 692 O TYR A 49 2.789 5.907 -6.756 1.00 0.00 O ATOM 693 CB TYR A 49 3.649 9.148 -5.801 1.00 0.00 C ATOM 694 CG TYR A 49 4.360 9.966 -4.746 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.649 9.644 -4.342 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.741 11.060 -4.154 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.301 10.388 -3.378 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.387 11.810 -3.190 1.00 0.00 C ATOM 699 CZ TYR A 49 5.666 11.469 -2.805 1.00 0.00 C ATOM 700 OH TYR A 49 6.313 12.213 -1.845 1.00 0.00 O ATOM 0 H TYR A 49 5.024 6.806 -5.532 1.00 0.00 H new ATOM 0 HA TYR A 49 2.489 7.920 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.317 9.008 -6.651 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.787 9.708 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.150 8.798 -4.789 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.738 11.329 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.303 10.124 -3.075 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.893 12.659 -2.741 1.00 0.00 H new ATOM 0 HH TYR A 49 5.652 12.630 -1.253 1.00 0.00 H new ATOM 710 N ILE A 50 1.449 7.698 -7.002 1.00 0.00 N ATOM 711 CA ILE A 50 0.672 7.105 -8.084 1.00 0.00 C ATOM 712 C ILE A 50 0.624 8.029 -9.296 1.00 0.00 C ATOM 713 O ILE A 50 0.556 9.250 -9.156 1.00 0.00 O ATOM 714 CB ILE A 50 -0.768 6.792 -7.636 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.760 6.038 -6.305 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.492 5.985 -8.703 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.138 5.837 -5.715 1.00 0.00 C ATOM 0 H ILE A 50 1.156 8.639 -6.739 1.00 0.00 H new ATOM 0 HA ILE A 50 1.170 6.175 -8.358 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.300 7.733 -7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.291 5.065 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.144 6.585 -5.591 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.508 5.772 -8.371 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.525 6.556 -9.631 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.962 5.048 -8.873 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.055 5.296 -4.773 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.602 6.807 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.751 5.263 -6.410 1.00 0.00 H new ATOM 729 N THR A 51 0.663 7.438 -10.486 1.00 0.00 N ATOM 730 CA THR A 51 0.625 8.209 -11.723 1.00 0.00 C ATOM 731 C THR A 51 0.125 7.352 -12.882 1.00 0.00 C ATOM 732 O THR A 51 0.669 7.402 -13.986 1.00 0.00 O ATOM 733 CB THR A 51 2.014 8.765 -12.044 1.00 0.00 C ATOM 734 OG1 THR A 51 2.012 9.422 -13.299 1.00 0.00 O ATOM 735 CG2 THR A 51 3.089 7.701 -12.084 1.00 0.00 C ATOM 0 H THR A 51 0.721 6.428 -10.620 1.00 0.00 H new ATOM 0 HA THR A 51 -0.067 9.040 -11.585 1.00 0.00 H new ATOM 0 HB THR A 51 2.243 9.459 -11.235 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.735 8.793 -13.997 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.049 8.162 -12.317 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.149 7.208 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.845 6.966 -12.850 1.00 0.00 H new ATOM 743 N GLY A 52 -0.915 6.566 -12.623 1.00 0.00 N ATOM 744 CA GLY A 52 -1.471 5.710 -13.655 1.00 0.00 C ATOM 745 C GLY A 52 -2.741 5.011 -13.208 1.00 0.00 C ATOM 746 O GLY A 52 -2.842 4.562 -12.066 1.00 0.00 O ATOM 0 H GLY A 52 -1.382 6.506 -11.718 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.682 6.306 -14.543 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.730 4.963 -13.941 1.00 0.00 H new ATOM 750 N VAL A 53 -3.713 4.921 -14.110 1.00 0.00 N ATOM 751 CA VAL A 53 -4.983 4.274 -13.804 1.00 0.00 C ATOM 752 C VAL A 53 -5.477 3.448 -14.987 1.00 0.00 C ATOM 753 O VAL A 53 -5.880 3.996 -16.013 1.00 0.00 O ATOM 754 CB VAL A 53 -6.064 5.305 -13.426 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.315 4.605 -12.918 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.529 6.281 -12.387 1.00 0.00 C ATOM 0 H VAL A 53 -3.645 5.288 -15.059 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.806 3.617 -12.953 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.331 5.870 -14.319 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.067 5.349 -12.656 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.707 3.951 -13.697 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.068 4.013 -12.037 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.305 7.002 -12.131 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.233 5.734 -11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.665 6.807 -12.793 1.00 0.00 H new ATOM 766 N ASP A 54 -5.442 2.128 -14.836 1.00 0.00 N ATOM 767 CA ASP A 54 -5.886 1.228 -15.894 1.00 0.00 C ATOM 768 C ASP A 54 -7.406 1.075 -15.875 1.00 0.00 C ATOM 769 O ASP A 54 -8.026 1.088 -14.812 1.00 0.00 O ATOM 770 CB ASP A 54 -5.222 -0.142 -15.737 1.00 0.00 C ATOM 771 CG ASP A 54 -3.940 -0.257 -16.539 1.00 0.00 C ATOM 772 OD1 ASP A 54 -3.950 0.117 -17.730 1.00 0.00 O ATOM 773 OD2 ASP A 54 -2.928 -0.723 -15.975 1.00 0.00 O ATOM 0 H ASP A 54 -5.111 1.659 -13.993 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.594 1.659 -16.852 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.006 -0.320 -14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.918 -0.919 -16.055 1.00 0.00 H new ATOM 778 N PRO A 55 -8.029 0.927 -17.058 1.00 0.00 N ATOM 779 CA PRO A 55 -9.481 0.771 -17.169 1.00 0.00 C ATOM 780 C PRO A 55 -9.952 -0.609 -16.724 1.00 0.00 C ATOM 781 O PRO A 55 -9.349 -1.624 -17.072 1.00 0.00 O ATOM 782 CB PRO A 55 -9.741 0.968 -18.663 1.00 0.00 C ATOM 783 CG PRO A 55 -8.479 0.537 -19.324 1.00 0.00 C ATOM 784 CD PRO A 55 -7.366 0.900 -18.377 1.00 0.00 C ATOM 0 HA PRO A 55 -10.018 1.473 -16.531 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.589 0.371 -19.000 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.973 2.008 -18.891 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.489 -0.535 -19.521 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.352 1.037 -20.284 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.560 0.167 -18.406 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.927 1.866 -18.625 1.00 0.00 H new ATOM 792 N GLY A 56 -11.034 -0.640 -15.953 1.00 0.00 N ATOM 793 CA GLY A 56 -11.568 -1.901 -15.473 1.00 0.00 C ATOM 794 C GLY A 56 -10.772 -2.464 -14.312 1.00 0.00 C ATOM 795 O GLY A 56 -10.680 -3.680 -14.146 1.00 0.00 O ATOM 0 H GLY A 56 -11.551 0.186 -15.652 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.604 -1.759 -15.164 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.574 -2.623 -16.289 1.00 0.00 H new ATOM 799 N SER A 57 -10.195 -1.577 -13.507 1.00 0.00 N ATOM 800 CA SER A 57 -9.403 -1.993 -12.355 1.00 0.00 C ATOM 801 C SER A 57 -10.148 -1.720 -11.053 1.00 0.00 C ATOM 802 O SER A 57 -10.950 -0.789 -10.970 1.00 0.00 O ATOM 803 CB SER A 57 -8.056 -1.268 -12.347 1.00 0.00 C ATOM 804 OG SER A 57 -8.205 0.077 -11.923 1.00 0.00 O ATOM 0 H SER A 57 -10.261 -0.567 -13.631 1.00 0.00 H new ATOM 0 HA SER A 57 -9.230 -3.066 -12.434 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.364 -1.787 -11.684 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.620 -1.292 -13.346 1.00 0.00 H new ATOM 0 HG SER A 57 -7.501 0.296 -11.277 1.00 0.00 H new ATOM 810 N GLU A 58 -9.880 -2.537 -10.040 1.00 0.00 N ATOM 811 CA GLU A 58 -10.525 -2.382 -8.742 1.00 0.00 C ATOM 812 C GLU A 58 -10.182 -1.030 -8.123 1.00 0.00 C ATOM 813 O GLU A 58 -10.989 -0.443 -7.401 1.00 0.00 O ATOM 814 CB GLU A 58 -10.103 -3.513 -7.801 1.00 0.00 C ATOM 815 CG GLU A 58 -11.262 -4.373 -7.324 1.00 0.00 C ATOM 816 CD GLU A 58 -11.167 -4.714 -5.851 1.00 0.00 C ATOM 817 OE1 GLU A 58 -10.285 -5.519 -5.483 1.00 0.00 O ATOM 818 OE2 GLU A 58 -11.975 -4.178 -5.063 1.00 0.00 O ATOM 0 H GLU A 58 -9.220 -3.313 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.604 -2.429 -8.891 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.377 -4.147 -8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.599 -3.084 -6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.199 -3.850 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.289 -5.295 -7.905 1.00 0.00 H new ATOM 825 N ALA A 59 -8.980 -0.542 -8.411 1.00 0.00 N ATOM 826 CA ALA A 59 -8.529 0.739 -7.883 1.00 0.00 C ATOM 827 C ALA A 59 -9.249 1.898 -8.566 1.00 0.00 C ATOM 828 O ALA A 59 -9.477 2.944 -7.959 1.00 0.00 O ATOM 829 CB ALA A 59 -7.023 0.878 -8.054 1.00 0.00 C ATOM 0 H ALA A 59 -8.301 -1.015 -9.007 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.769 0.772 -6.820 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.699 1.839 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.520 0.074 -7.516 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.770 0.820 -9.113 1.00 0.00 H new ATOM 835 N GLU A 60 -9.607 1.702 -9.831 1.00 0.00 N ATOM 836 CA GLU A 60 -10.302 2.730 -10.596 1.00 0.00 C ATOM 837 C GLU A 60 -11.744 2.882 -10.122 1.00 0.00 C ATOM 838 O GLU A 60 -12.315 3.970 -10.180 1.00 0.00 O ATOM 839 CB GLU A 60 -10.276 2.389 -12.088 1.00 0.00 C ATOM 840 CG GLU A 60 -10.661 3.555 -12.985 1.00 0.00 C ATOM 841 CD GLU A 60 -11.927 3.291 -13.776 1.00 0.00 C ATOM 842 OE1 GLU A 60 -11.930 2.348 -14.594 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.915 4.027 -13.577 1.00 0.00 O ATOM 0 H GLU A 60 -9.427 0.841 -10.347 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.786 3.677 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.276 2.049 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.956 1.558 -12.274 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.798 4.448 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.843 3.763 -13.675 1.00 0.00 H new ATOM 850 N GLY A 61 -12.326 1.782 -9.654 1.00 0.00 N ATOM 851 CA GLY A 61 -13.696 1.814 -9.178 1.00 0.00 C ATOM 852 C GLY A 61 -13.836 2.554 -7.862 1.00 0.00 C ATOM 853 O GLY A 61 -14.853 3.201 -7.612 1.00 0.00 O ATOM 0 H GLY A 61 -11.873 0.870 -9.596 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.327 2.291 -9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.059 0.793 -9.058 1.00 0.00 H new ATOM 857 N SER A 62 -12.813 2.459 -7.020 1.00 0.00 N ATOM 858 CA SER A 62 -12.827 3.125 -5.723 1.00 0.00 C ATOM 859 C SER A 62 -12.688 4.635 -5.883 1.00 0.00 C ATOM 860 O SER A 62 -13.323 5.407 -5.165 1.00 0.00 O ATOM 861 CB SER A 62 -11.699 2.589 -4.839 1.00 0.00 C ATOM 862 OG SER A 62 -12.032 2.693 -3.466 1.00 0.00 O ATOM 0 H SER A 62 -11.964 1.927 -7.212 1.00 0.00 H new ATOM 0 HA SER A 62 -13.785 2.916 -5.247 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.500 1.547 -5.090 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.783 3.145 -5.037 1.00 0.00 H new ATOM 0 HG SER A 62 -12.031 1.801 -3.061 1.00 0.00 H new ATOM 868 N GLY A 63 -11.854 5.050 -6.831 1.00 0.00 N ATOM 869 CA GLY A 63 -11.647 6.467 -7.070 1.00 0.00 C ATOM 870 C GLY A 63 -10.199 6.879 -6.893 1.00 0.00 C ATOM 871 O GLY A 63 -9.911 7.943 -6.346 1.00 0.00 O ATOM 0 H GLY A 63 -11.318 4.430 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.970 6.713 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.272 7.043 -6.387 1.00 0.00 H new ATOM 875 N LEU A 64 -9.284 6.032 -7.355 1.00 0.00 N ATOM 876 CA LEU A 64 -7.858 6.312 -7.246 1.00 0.00 C ATOM 877 C LEU A 64 -7.363 7.097 -8.457 1.00 0.00 C ATOM 878 O LEU A 64 -7.464 6.634 -9.592 1.00 0.00 O ATOM 879 CB LEU A 64 -7.071 5.007 -7.109 1.00 0.00 C ATOM 880 CG LEU A 64 -6.740 4.598 -5.671 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.979 3.110 -5.467 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.301 4.960 -5.331 1.00 0.00 C ATOM 0 H LEU A 64 -9.506 5.146 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.698 6.919 -6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.642 4.205 -7.576 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.140 5.102 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.401 5.145 -4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.738 2.840 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.025 2.879 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.345 2.543 -6.149 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.083 4.662 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.625 4.441 -6.011 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.163 6.036 -5.433 1.00 0.00 H new ATOM 894 N LYS A 65 -6.828 8.287 -8.205 1.00 0.00 N ATOM 895 CA LYS A 65 -6.316 9.138 -9.273 1.00 0.00 C ATOM 896 C LYS A 65 -4.798 9.261 -9.191 1.00 0.00 C ATOM 897 O LYS A 65 -4.168 8.705 -8.293 1.00 0.00 O ATOM 898 CB LYS A 65 -6.958 10.525 -9.202 1.00 0.00 C ATOM 899 CG LYS A 65 -8.270 10.628 -9.961 1.00 0.00 C ATOM 900 CD LYS A 65 -9.460 10.335 -9.061 1.00 0.00 C ATOM 901 CE LYS A 65 -10.051 11.614 -8.487 1.00 0.00 C ATOM 902 NZ LYS A 65 -9.423 11.983 -7.188 1.00 0.00 N ATOM 0 H LYS A 65 -6.738 8.684 -7.270 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.573 8.676 -10.226 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.131 10.783 -8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.259 11.260 -9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.370 11.628 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.264 9.928 -10.797 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.224 9.802 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.150 9.679 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.916 12.428 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.125 11.487 -8.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.972 12.745 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.408 11.153 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.449 12.309 -7.353 1.00 0.00 H new ATOM 916 N VAL A 66 -4.218 9.997 -10.134 1.00 0.00 N ATOM 917 CA VAL A 66 -2.774 10.194 -10.167 1.00 0.00 C ATOM 918 C VAL A 66 -2.355 11.346 -9.259 1.00 0.00 C ATOM 919 O VAL A 66 -3.111 12.296 -9.058 1.00 0.00 O ATOM 920 CB VAL A 66 -2.279 10.480 -11.598 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.388 9.232 -12.461 1.00 0.00 C ATOM 922 CG2 VAL A 66 -3.058 11.632 -12.212 1.00 0.00 C ATOM 0 H VAL A 66 -4.726 10.466 -10.884 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.321 9.269 -9.810 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.229 10.768 -11.549 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.034 9.454 -13.468 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.780 8.437 -12.029 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.428 8.910 -12.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.694 11.819 -13.222 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.117 11.376 -12.249 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.922 12.527 -11.606 1.00 0.00 H new ATOM 932 N GLY A 67 -1.148 11.253 -8.712 1.00 0.00 N ATOM 933 CA GLY A 67 -0.651 12.293 -7.832 1.00 0.00 C ATOM 934 C GLY A 67 -0.698 11.889 -6.370 1.00 0.00 C ATOM 935 O GLY A 67 0.081 12.386 -5.558 1.00 0.00 O ATOM 0 H GLY A 67 -0.505 10.476 -8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.376 12.536 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.242 13.198 -7.975 1.00 0.00 H new ATOM 939 N ASP A 68 -1.614 10.985 -6.037 1.00 0.00 N ATOM 940 CA ASP A 68 -1.759 10.515 -4.663 1.00 0.00 C ATOM 941 C ASP A 68 -0.462 9.888 -4.162 1.00 0.00 C ATOM 942 O ASP A 68 0.326 9.359 -4.945 1.00 0.00 O ATOM 943 CB ASP A 68 -2.901 9.502 -4.567 1.00 0.00 C ATOM 944 CG ASP A 68 -4.257 10.169 -4.454 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.427 11.269 -5.020 1.00 0.00 O ATOM 946 OD2 ASP A 68 -5.151 9.591 -3.799 1.00 0.00 O ATOM 0 H ASP A 68 -2.266 10.564 -6.698 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.991 11.374 -4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.888 8.859 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.742 8.860 -3.701 1.00 0.00 H new ATOM 951 N GLN A 69 -0.249 9.951 -2.851 1.00 0.00 N ATOM 952 CA GLN A 69 0.952 9.389 -2.244 1.00 0.00 C ATOM 953 C GLN A 69 0.595 8.285 -1.255 1.00 0.00 C ATOM 954 O GLN A 69 -0.069 8.530 -0.248 1.00 0.00 O ATOM 955 CB GLN A 69 1.750 10.485 -1.537 1.00 0.00 C ATOM 956 CG GLN A 69 3.091 10.011 -0.999 1.00 0.00 C ATOM 957 CD GLN A 69 3.787 11.064 -0.158 1.00 0.00 C ATOM 958 OE1 GLN A 69 3.620 12.262 -0.381 1.00 0.00 O ATOM 959 NE2 GLN A 69 4.574 10.619 0.814 1.00 0.00 N ATOM 0 H GLN A 69 -0.892 10.385 -2.189 1.00 0.00 H new ATOM 0 HA GLN A 69 1.563 8.958 -3.037 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.917 11.307 -2.233 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.157 10.881 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.941 9.113 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.735 9.733 -1.833 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.683 9.616 0.963 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.070 11.280 1.412 1.00 0.00 H new ATOM 968 N ILE A 70 1.041 7.068 -1.548 1.00 0.00 N ATOM 969 CA ILE A 70 0.768 5.926 -0.683 1.00 0.00 C ATOM 970 C ILE A 70 1.596 5.995 0.595 1.00 0.00 C ATOM 971 O ILE A 70 2.797 6.266 0.554 1.00 0.00 O ATOM 972 CB ILE A 70 1.061 4.593 -1.400 1.00 0.00 C ATOM 973 CG1 ILE A 70 0.370 4.557 -2.764 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.611 3.419 -0.543 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.886 3.465 -3.675 1.00 0.00 C ATOM 0 H ILE A 70 1.593 6.847 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.291 5.968 -0.430 1.00 0.00 H new ATOM 0 HB ILE A 70 2.137 4.513 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.701 4.419 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.503 5.521 -3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.825 2.485 -1.063 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.146 3.436 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.460 3.494 -0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.351 3.500 -4.624 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.951 3.613 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.729 2.494 -3.205 1.00 0.00 H new ATOM 987 N LEU A 71 0.949 5.751 1.728 1.00 0.00 N ATOM 988 CA LEU A 71 1.626 5.786 3.019 1.00 0.00 C ATOM 989 C LEU A 71 1.880 4.376 3.539 1.00 0.00 C ATOM 990 O LEU A 71 2.993 4.045 3.947 1.00 0.00 O ATOM 991 CB LEU A 71 0.793 6.574 4.034 1.00 0.00 C ATOM 992 CG LEU A 71 0.490 8.020 3.639 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.721 8.538 4.399 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.700 8.906 3.893 1.00 0.00 C ATOM 0 H LEU A 71 -0.045 5.526 1.779 1.00 0.00 H new ATOM 0 HA LEU A 71 2.587 6.282 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.150 6.051 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.319 6.577 4.989 1.00 0.00 H new ATOM 0 HG LEU A 71 0.263 8.046 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.922 9.568 4.105 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.588 7.919 4.167 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.523 8.498 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.467 9.931 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.958 8.875 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.544 8.547 3.303 1.00 0.00 H new ATOM 1006 N GLU A 72 0.841 3.548 3.522 1.00 0.00 N ATOM 1007 CA GLU A 72 0.952 2.172 3.991 1.00 0.00 C ATOM 1008 C GLU A 72 -0.129 1.294 3.367 1.00 0.00 C ATOM 1009 O GLU A 72 -1.201 1.776 3.002 1.00 0.00 O ATOM 1010 CB GLU A 72 0.846 2.121 5.517 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.473 2.652 6.053 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.349 4.050 6.626 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.623 4.751 6.276 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.225 4.444 7.424 1.00 0.00 O ATOM 0 H GLU A 72 -0.088 3.806 3.188 1.00 0.00 H new ATOM 0 HA GLU A 72 1.926 1.790 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.974 1.090 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.663 2.699 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.211 2.656 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.845 1.978 6.825 1.00 0.00 H new ATOM 1021 N VAL A 73 0.162 0.003 3.245 1.00 0.00 N ATOM 1022 CA VAL A 73 -0.783 -0.942 2.664 1.00 0.00 C ATOM 1023 C VAL A 73 -0.777 -2.263 3.426 1.00 0.00 C ATOM 1024 O VAL A 73 0.277 -2.862 3.643 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.465 -1.217 1.183 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.571 -2.041 0.542 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.260 0.089 0.431 1.00 0.00 C ATOM 0 H VAL A 73 1.045 -0.412 3.541 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.770 -0.486 2.737 1.00 0.00 H new ATOM 0 HB VAL A 73 0.460 -1.791 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.328 -2.225 -0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.666 -2.993 1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.513 -1.497 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.036 -0.124 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.167 0.690 0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.570 0.638 0.875 1.00 0.00 H new ATOM 1037 N ASN A 74 -1.960 -2.712 3.832 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.090 -3.963 4.571 1.00 0.00 C ATOM 1039 C ASN A 74 -1.311 -3.904 5.880 1.00 0.00 C ATOM 1040 O ASN A 74 -0.806 -4.920 6.360 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.595 -5.135 3.722 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.660 -5.652 2.774 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.666 -6.219 3.201 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.444 -5.457 1.478 1.00 0.00 N ATOM 0 H ASN A 74 -2.842 -2.229 3.662 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.145 -4.111 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.723 -4.822 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.272 -5.944 4.377 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.126 -5.782 0.793 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.596 -4.982 1.168 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.215 -2.709 6.453 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.494 -2.541 7.702 1.00 0.00 C ATOM 1053 C GLY A 75 1.009 -2.546 7.508 1.00 0.00 C ATOM 1054 O GLY A 75 1.757 -2.921 8.412 1.00 0.00 O ATOM 0 H GLY A 75 -1.623 -1.854 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.794 -1.602 8.168 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.771 -3.341 8.389 1.00 0.00 H new ATOM 1058 N ARG A 76 1.453 -2.128 6.326 1.00 0.00 N ATOM 1059 CA ARG A 76 2.878 -2.086 6.016 1.00 0.00 C ATOM 1060 C ARG A 76 3.307 -0.677 5.621 1.00 0.00 C ATOM 1061 O ARG A 76 2.634 -0.009 4.837 1.00 0.00 O ATOM 1062 CB ARG A 76 3.203 -3.067 4.888 1.00 0.00 C ATOM 1063 CG ARG A 76 4.665 -3.485 4.849 1.00 0.00 C ATOM 1064 CD ARG A 76 4.821 -4.991 4.988 1.00 0.00 C ATOM 1065 NE ARG A 76 5.978 -5.350 5.805 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.146 -6.543 6.369 1.00 0.00 C ATOM 1067 NH1 ARG A 76 5.235 -7.496 6.208 1.00 0.00 N ATOM 1068 NH2 ARG A 76 7.227 -6.786 7.097 1.00 0.00 N ATOM 0 H ARG A 76 0.847 -1.814 5.568 1.00 0.00 H new ATOM 0 HA ARG A 76 3.429 -2.376 6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.582 -3.956 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.938 -2.612 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 76 5.113 -3.157 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.208 -2.987 5.652 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.919 -5.409 5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.923 -5.437 3.999 1.00 0.00 H new ATOM 0 HE ARG A 76 6.700 -4.644 5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.401 -7.315 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.369 -8.409 6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.930 -6.058 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.356 -7.701 7.529 1.00 0.00 H new ATOM 1082 N SER A 77 4.433 -0.231 6.169 1.00 0.00 N ATOM 1083 CA SER A 77 4.952 1.099 5.873 1.00 0.00 C ATOM 1084 C SER A 77 5.394 1.198 4.416 1.00 0.00 C ATOM 1085 O SER A 77 6.390 0.595 4.017 1.00 0.00 O ATOM 1086 CB SER A 77 6.125 1.428 6.797 1.00 0.00 C ATOM 1087 OG SER A 77 6.200 2.821 7.051 1.00 0.00 O ATOM 0 H SER A 77 5.003 -0.771 6.820 1.00 0.00 H new ATOM 0 HA SER A 77 4.152 1.820 6.041 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.013 0.889 7.738 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.056 1.087 6.344 1.00 0.00 H new ATOM 0 HG SER A 77 6.957 3.005 7.646 1.00 0.00 H new ATOM 1093 N PHE A 78 4.645 1.961 3.627 1.00 0.00 N ATOM 1094 CA PHE A 78 4.959 2.139 2.214 1.00 0.00 C ATOM 1095 C PHE A 78 5.645 3.481 1.972 1.00 0.00 C ATOM 1096 O PHE A 78 5.508 4.075 0.903 1.00 0.00 O ATOM 1097 CB PHE A 78 3.685 2.043 1.372 1.00 0.00 C ATOM 1098 CG PHE A 78 3.447 0.677 0.794 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.239 -0.414 1.624 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.433 0.483 -0.577 1.00 0.00 C ATOM 1101 CE1 PHE A 78 3.021 -1.671 1.097 1.00 0.00 C ATOM 1102 CE2 PHE A 78 3.215 -0.772 -1.111 1.00 0.00 C ATOM 1103 CZ PHE A 78 3.009 -1.851 -0.274 1.00 0.00 C ATOM 0 H PHE A 78 3.817 2.466 3.942 1.00 0.00 H new ATOM 0 HA PHE A 78 5.644 1.345 1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.830 2.321 1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.741 2.767 0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.248 -0.279 2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.594 1.323 -1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.860 -2.513 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.206 -0.909 -2.182 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.839 -2.833 -0.689 1.00 0.00 H new ATOM 1113 N LEU A 79 6.384 3.951 2.972 1.00 0.00 N ATOM 1114 CA LEU A 79 7.092 5.222 2.866 1.00 0.00 C ATOM 1115 C LEU A 79 8.487 5.021 2.283 1.00 0.00 C ATOM 1116 O LEU A 79 9.012 5.893 1.591 1.00 0.00 O ATOM 1117 CB LEU A 79 7.191 5.890 4.238 1.00 0.00 C ATOM 1118 CG LEU A 79 5.858 6.345 4.835 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.075 6.994 6.194 1.00 0.00 C ATOM 1120 CD2 LEU A 79 5.153 7.307 3.890 1.00 0.00 C ATOM 0 H LEU A 79 6.508 3.472 3.864 1.00 0.00 H new ATOM 0 HA LEU A 79 6.528 5.869 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.663 5.193 4.931 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.850 6.755 4.157 1.00 0.00 H new ATOM 0 HG LEU A 79 5.224 5.469 4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.116 7.311 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.538 6.276 6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.727 7.861 6.083 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.206 7.621 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.783 8.181 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.964 6.809 2.939 1.00 0.00 H new ATOM 1132 N ASN A 80 9.080 3.867 2.566 1.00 0.00 N ATOM 1133 CA ASN A 80 10.414 3.552 2.069 1.00 0.00 C ATOM 1134 C ASN A 80 10.484 2.111 1.572 1.00 0.00 C ATOM 1135 O ASN A 80 11.058 1.243 2.229 1.00 0.00 O ATOM 1136 CB ASN A 80 11.457 3.778 3.165 1.00 0.00 C ATOM 1137 CG ASN A 80 11.125 3.029 4.441 1.00 0.00 C ATOM 1138 OD1 ASN A 80 10.188 3.382 5.156 1.00 0.00 O ATOM 1139 ND2 ASN A 80 11.897 1.988 4.734 1.00 0.00 N ATOM 0 H ASN A 80 8.658 3.134 3.137 1.00 0.00 H new ATOM 0 HA ASN A 80 10.628 4.216 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.435 3.459 2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.529 4.844 3.381 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.723 1.446 5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.664 1.731 4.112 1.00 0.00 H new ATOM 1146 N ILE A 81 9.894 1.864 0.406 1.00 0.00 N ATOM 1147 CA ILE A 81 9.888 0.529 -0.180 1.00 0.00 C ATOM 1148 C ILE A 81 10.410 0.557 -1.613 1.00 0.00 C ATOM 1149 O ILE A 81 10.262 1.554 -2.318 1.00 0.00 O ATOM 1150 CB ILE A 81 8.473 -0.085 -0.165 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.508 -1.524 -0.686 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.516 0.762 -0.993 1.00 0.00 C ATOM 1153 CD1 ILE A 81 7.453 -2.416 -0.069 1.00 0.00 C ATOM 0 H ILE A 81 9.414 2.571 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 81 10.547 -0.090 0.429 1.00 0.00 H new ATOM 0 HB ILE A 81 8.114 -0.101 0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.376 -1.513 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.492 -1.949 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.522 0.314 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.469 1.769 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.870 0.810 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.537 -3.420 -0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.597 -2.457 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.464 -2.014 -0.288 1.00 0.00 H new ATOM 1165 N LEU A 82 11.018 -0.546 -2.038 1.00 0.00 N ATOM 1166 CA LEU A 82 11.560 -0.647 -3.388 1.00 0.00 C ATOM 1167 C LEU A 82 10.460 -0.474 -4.430 1.00 0.00 C ATOM 1168 O LEU A 82 9.283 -0.700 -4.148 1.00 0.00 O ATOM 1169 CB LEU A 82 12.254 -1.997 -3.582 1.00 0.00 C ATOM 1170 CG LEU A 82 13.519 -2.201 -2.747 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.878 -3.677 -2.672 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.675 -1.398 -3.326 1.00 0.00 C ATOM 0 H LEU A 82 11.148 -1.382 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 82 12.290 0.152 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.546 -2.790 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.511 -2.108 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 82 13.325 -1.844 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.781 -3.802 -2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.058 -4.228 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.053 -4.060 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.567 -1.555 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.869 -1.724 -4.348 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.418 -0.339 -3.326 1.00 0.00 H new ATOM 1184 N HIS A 83 10.851 -0.074 -5.636 1.00 0.00 N ATOM 1185 CA HIS A 83 9.898 0.129 -6.720 1.00 0.00 C ATOM 1186 C HIS A 83 9.266 -1.192 -7.145 1.00 0.00 C ATOM 1187 O HIS A 83 8.114 -1.230 -7.577 1.00 0.00 O ATOM 1188 CB HIS A 83 10.587 0.787 -7.917 1.00 0.00 C ATOM 1189 CG HIS A 83 9.656 1.097 -9.048 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.712 2.100 -8.992 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.527 0.529 -10.271 1.00 0.00 C ATOM 1192 CE1 HIS A 83 8.042 2.136 -10.131 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.518 1.193 -10.923 1.00 0.00 N ATOM 0 H HIS A 83 11.821 0.116 -5.887 1.00 0.00 H new ATOM 0 HA HIS A 83 9.109 0.787 -6.357 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.066 1.709 -7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.377 0.129 -8.278 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.109 -0.293 -10.660 1.00 0.00 H new ATOM 0 HE1 HIS A 83 7.242 2.820 -10.372 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.189 0.991 -11.867 1.00 0.00 H new ATOM 1202 N ASP A 84 10.028 -2.274 -7.020 1.00 0.00 N ATOM 1203 CA ASP A 84 9.543 -3.598 -7.392 1.00 0.00 C ATOM 1204 C ASP A 84 8.742 -4.224 -6.255 1.00 0.00 C ATOM 1205 O ASP A 84 7.693 -4.827 -6.480 1.00 0.00 O ATOM 1206 CB ASP A 84 10.714 -4.507 -7.767 1.00 0.00 C ATOM 1207 CG ASP A 84 11.404 -4.064 -9.042 1.00 0.00 C ATOM 1208 OD1 ASP A 84 12.346 -3.248 -8.955 1.00 0.00 O ATOM 1209 OD2 ASP A 84 11.004 -4.532 -10.128 1.00 0.00 O ATOM 0 H ASP A 84 10.984 -2.260 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 84 8.887 -3.487 -8.256 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.437 -4.519 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.353 -5.528 -7.888 1.00 0.00 H new ATOM 1214 N GLU A 85 9.244 -4.077 -5.034 1.00 0.00 N ATOM 1215 CA GLU A 85 8.576 -4.629 -3.861 1.00 0.00 C ATOM 1216 C GLU A 85 7.178 -4.038 -3.702 1.00 0.00 C ATOM 1217 O GLU A 85 6.243 -4.728 -3.297 1.00 0.00 O ATOM 1218 CB GLU A 85 9.402 -4.359 -2.602 1.00 0.00 C ATOM 1219 CG GLU A 85 9.113 -5.328 -1.466 1.00 0.00 C ATOM 1220 CD GLU A 85 10.198 -5.324 -0.407 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.843 -4.271 -0.221 1.00 0.00 O ATOM 1222 OE2 GLU A 85 10.403 -6.374 0.236 1.00 0.00 O ATOM 0 H GLU A 85 10.111 -3.580 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 85 8.482 -5.706 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.461 -4.413 -2.854 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.207 -3.343 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.160 -5.068 -1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.008 -6.335 -1.870 1.00 0.00 H new ATOM 1229 N ALA A 86 7.044 -2.755 -4.023 1.00 0.00 N ATOM 1230 CA ALA A 86 5.762 -2.071 -3.916 1.00 0.00 C ATOM 1231 C ALA A 86 4.766 -2.608 -4.937 1.00 0.00 C ATOM 1232 O ALA A 86 3.584 -2.779 -4.638 1.00 0.00 O ATOM 1233 CB ALA A 86 5.948 -0.572 -4.095 1.00 0.00 C ATOM 0 H ALA A 86 7.808 -2.169 -4.359 1.00 0.00 H new ATOM 0 HA ALA A 86 5.359 -2.260 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.982 -0.073 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.619 -0.194 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.377 -0.373 -5.077 1.00 0.00 H new ATOM 1239 N VAL A 87 5.252 -2.874 -6.146 1.00 0.00 N ATOM 1240 CA VAL A 87 4.404 -3.392 -7.213 1.00 0.00 C ATOM 1241 C VAL A 87 3.995 -4.835 -6.936 1.00 0.00 C ATOM 1242 O VAL A 87 2.809 -5.167 -6.949 1.00 0.00 O ATOM 1243 CB VAL A 87 5.115 -3.325 -8.579 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.163 -3.721 -9.698 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.682 -1.934 -8.821 1.00 0.00 C ATOM 0 H VAL A 87 6.228 -2.739 -6.410 1.00 0.00 H new ATOM 0 HA VAL A 87 3.514 -2.763 -7.244 1.00 0.00 H new ATOM 0 HB VAL A 87 5.944 -4.033 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.683 -3.667 -10.654 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.811 -4.739 -9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.312 -3.040 -9.709 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.180 -1.908 -9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.873 -1.204 -8.809 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.400 -1.693 -8.038 1.00 0.00 H new ATOM 1255 N ARG A 88 4.983 -5.687 -6.686 1.00 0.00 N ATOM 1256 CA ARG A 88 4.725 -7.095 -6.406 1.00 0.00 C ATOM 1257 C ARG A 88 3.843 -7.252 -5.171 1.00 0.00 C ATOM 1258 O ARG A 88 2.890 -8.031 -5.172 1.00 0.00 O ATOM 1259 CB ARG A 88 6.043 -7.845 -6.203 1.00 0.00 C ATOM 1260 CG ARG A 88 6.617 -8.423 -7.487 1.00 0.00 C ATOM 1261 CD ARG A 88 7.467 -7.402 -8.225 1.00 0.00 C ATOM 1262 NE ARG A 88 8.437 -8.037 -9.115 1.00 0.00 N ATOM 1263 CZ ARG A 88 8.122 -8.572 -10.293 1.00 0.00 C ATOM 1264 NH1 ARG A 88 6.867 -8.551 -10.725 1.00 0.00 N ATOM 1265 NH2 ARG A 88 9.065 -9.129 -11.040 1.00 0.00 N ATOM 0 H ARG A 88 5.969 -5.428 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 88 4.200 -7.520 -7.262 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.773 -7.167 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.885 -8.653 -5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.220 -9.301 -7.255 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.804 -8.757 -8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.820 -6.743 -8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.993 -6.778 -7.502 1.00 0.00 H new ATOM 0 HE ARG A 88 9.412 -8.072 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.138 -8.123 -10.154 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.632 -8.962 -11.628 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.031 -9.147 -10.712 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.825 -9.539 -11.943 1.00 0.00 H new ATOM 1279 N LEU A 89 4.166 -6.507 -4.120 1.00 0.00 N ATOM 1280 CA LEU A 89 3.403 -6.564 -2.878 1.00 0.00 C ATOM 1281 C LEU A 89 1.979 -6.062 -3.091 1.00 0.00 C ATOM 1282 O LEU A 89 1.045 -6.516 -2.431 1.00 0.00 O ATOM 1283 CB LEU A 89 4.093 -5.734 -1.794 1.00 0.00 C ATOM 1284 CG LEU A 89 3.374 -5.706 -0.444 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.132 -7.119 0.061 1.00 0.00 C ATOM 1286 CD2 LEU A 89 4.178 -4.906 0.570 1.00 0.00 C ATOM 0 H LEU A 89 4.951 -5.856 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 89 3.357 -7.604 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.100 -6.125 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 89 4.199 -4.710 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 89 2.408 -5.220 -0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.620 -7.079 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.516 -7.661 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.087 -7.631 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.652 -4.896 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.158 -5.364 0.700 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.300 -3.884 0.212 1.00 0.00 H new ATOM 1298 N LEU A 90 1.821 -5.121 -4.017 1.00 0.00 N ATOM 1299 CA LEU A 90 0.510 -4.556 -4.317 1.00 0.00 C ATOM 1300 C LEU A 90 -0.315 -5.517 -5.167 1.00 0.00 C ATOM 1301 O LEU A 90 -1.534 -5.603 -5.018 1.00 0.00 O ATOM 1302 CB LEU A 90 0.663 -3.218 -5.043 1.00 0.00 C ATOM 1303 CG LEU A 90 0.890 -2.010 -4.132 1.00 0.00 C ATOM 1304 CD1 LEU A 90 1.370 -0.816 -4.941 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.386 -1.667 -3.376 1.00 0.00 C ATOM 0 H LEU A 90 2.584 -4.734 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.012 -4.393 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.500 -3.292 -5.738 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.232 -3.041 -5.640 1.00 0.00 H new ATOM 0 HG LEU A 90 1.662 -2.265 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.526 0.034 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.308 -1.066 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.621 -0.559 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.207 -0.806 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.178 -1.431 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.688 -2.519 -2.766 1.00 0.00 H new ATOM 1317 N LYS A 91 0.356 -6.237 -6.060 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.317 -7.191 -6.934 1.00 0.00 C ATOM 1319 C LYS A 91 -0.005 -8.625 -6.517 1.00 0.00 C ATOM 1320 O LYS A 91 0.527 -9.412 -7.302 1.00 0.00 O ATOM 1321 CB LYS A 91 0.103 -6.966 -8.390 1.00 0.00 C ATOM 1322 CG LYS A 91 0.173 -5.500 -8.786 1.00 0.00 C ATOM 1323 CD LYS A 91 -1.150 -4.792 -8.540 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.245 -3.498 -9.331 1.00 0.00 C ATOM 1325 NZ LYS A 91 -0.269 -2.480 -8.853 1.00 0.00 N ATOM 0 H LYS A 91 1.365 -6.178 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.392 -7.032 -6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.079 -7.424 -8.552 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.602 -7.477 -9.045 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.962 -5.006 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.440 -5.419 -9.840 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.973 -5.450 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.257 -4.578 -7.477 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.067 -3.704 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.256 -3.097 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.547 -1.541 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.257 -2.472 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.680 -2.715 -9.208 1.00 0.00 H new ATOM 1339 N SER A 92 -0.338 -8.960 -5.275 1.00 0.00 N ATOM 1340 CA SER A 92 -0.093 -10.300 -4.752 1.00 0.00 C ATOM 1341 C SER A 92 -1.154 -10.685 -3.727 1.00 0.00 C ATOM 1342 O SER A 92 -1.751 -11.758 -3.809 1.00 0.00 O ATOM 1343 CB SER A 92 1.297 -10.376 -4.118 1.00 0.00 C ATOM 1344 OG SER A 92 1.543 -11.664 -3.582 1.00 0.00 O ATOM 0 H SER A 92 -0.778 -8.322 -4.612 1.00 0.00 H new ATOM 0 HA SER A 92 -0.144 -11.003 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.054 -10.139 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.382 -9.628 -3.330 1.00 0.00 H new ATOM 0 HG SER A 92 2.438 -11.687 -3.184 1.00 0.00 H new ATOM 1350 N SER A 93 -1.384 -9.802 -2.760 1.00 0.00 N ATOM 1351 CA SER A 93 -2.374 -10.050 -1.719 1.00 0.00 C ATOM 1352 C SER A 93 -3.787 -9.839 -2.250 1.00 0.00 C ATOM 1353 O SER A 93 -4.009 -9.030 -3.151 1.00 0.00 O ATOM 1354 CB SER A 93 -2.125 -9.132 -0.521 1.00 0.00 C ATOM 1355 OG SER A 93 -1.292 -9.759 0.439 1.00 0.00 O ATOM 0 H SER A 93 -0.898 -8.909 -2.676 1.00 0.00 H new ATOM 0 HA SER A 93 -2.277 -11.088 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.661 -8.205 -0.859 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.076 -8.863 -0.061 1.00 0.00 H new ATOM 0 HG SER A 93 -1.147 -9.151 1.194 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.741 -10.574 -1.687 1.00 0.00 N ATOM 1362 CA ARG A 94 -6.134 -10.467 -2.104 1.00 0.00 C ATOM 1363 C ARG A 94 -6.753 -9.164 -1.605 1.00 0.00 C ATOM 1364 O ARG A 94 -7.435 -8.464 -2.352 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.938 -11.660 -1.583 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.656 -12.954 -2.328 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.489 -13.710 -1.714 1.00 0.00 C ATOM 1368 NE ARG A 94 -5.165 -14.920 -2.465 1.00 0.00 N ATOM 1369 CZ ARG A 94 -4.468 -14.925 -3.599 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -4.021 -13.787 -4.117 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -4.217 -16.070 -4.217 1.00 0.00 N ATOM 0 H ARG A 94 -4.575 -11.250 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.162 -10.468 -3.194 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -6.716 -11.803 -0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.001 -11.432 -1.657 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.546 -13.584 -2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -6.438 -12.733 -3.373 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -4.615 -13.060 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.730 -13.976 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.492 -15.814 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.211 -12.903 -3.646 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.487 -13.797 -4.986 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.558 -16.947 -3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.683 -16.074 -5.086 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.508 -8.847 -0.339 1.00 0.00 N ATOM 1386 CA HIS A 95 -7.040 -7.629 0.260 1.00 0.00 C ATOM 1387 C HIS A 95 -5.993 -6.520 0.255 1.00 0.00 C ATOM 1388 O HIS A 95 -4.979 -6.607 0.947 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.507 -7.899 1.691 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.766 -7.177 2.056 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.763 -7.741 2.825 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -9.190 -5.927 1.755 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.745 -6.870 2.979 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -10.421 -5.762 2.340 1.00 0.00 N ATOM 0 H HIS A 95 -5.944 -9.416 0.292 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.893 -7.303 -0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.663 -8.970 1.818 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.717 -7.608 2.383 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.659 -5.195 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.657 -7.037 3.533 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -10.993 -4.919 2.289 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.245 -5.478 -0.530 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.323 -4.352 -0.626 1.00 0.00 C ATOM 1405 C LEU A 96 -5.966 -3.074 -0.094 1.00 0.00 C ATOM 1406 O LEU A 96 -6.967 -2.600 -0.632 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.882 -4.148 -2.077 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.481 -5.427 -2.815 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.328 -5.157 -4.304 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.190 -5.990 -2.239 1.00 0.00 C ATOM 0 H LEU A 96 -7.080 -5.390 -1.109 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.449 -4.579 -0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.694 -3.670 -2.624 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.038 -3.458 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.270 -6.166 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.043 -6.077 -4.813 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.274 -4.797 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.557 -4.402 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.919 -6.900 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.393 -5.254 -2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.333 -6.220 -1.183 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.383 -2.522 0.965 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.897 -1.299 1.569 1.00 0.00 C ATOM 1424 C ILE A 97 -4.857 -0.184 1.526 1.00 0.00 C ATOM 1425 O ILE A 97 -4.176 0.082 2.516 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.324 -1.531 3.032 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.218 -2.767 3.137 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -7.039 -0.304 3.577 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -7.339 -3.308 4.544 1.00 0.00 C ATOM 0 H ILE A 97 -4.554 -2.902 1.422 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.769 -1.001 0.986 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.430 -1.702 3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.212 -2.519 2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.821 -3.548 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.334 -0.484 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.370 0.556 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.926 -0.103 2.976 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.988 -4.184 4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.352 -3.588 4.912 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.765 -2.542 5.193 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.738 0.463 0.371 1.00 0.00 N ATOM 1442 CA LEU A 98 -3.780 1.549 0.199 1.00 0.00 C ATOM 1443 C LEU A 98 -4.190 2.771 1.015 1.00 0.00 C ATOM 1444 O LEU A 98 -5.372 3.099 1.108 1.00 0.00 O ATOM 1445 CB LEU A 98 -3.663 1.924 -1.280 1.00 0.00 C ATOM 1446 CG LEU A 98 -2.918 0.908 -2.149 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -3.900 -0.020 -2.847 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.039 1.620 -3.167 1.00 0.00 C ATOM 0 H LEU A 98 -5.293 0.254 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.810 1.205 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.666 2.060 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.156 2.886 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.278 0.307 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.352 -0.735 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.487 -0.556 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.566 0.565 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.517 0.882 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.659 2.247 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.311 2.242 -2.647 1.00 0.00 H new ATOM 1460 N THR A 99 -3.203 3.440 1.603 1.00 0.00 N ATOM 1461 CA THR A 99 -3.461 4.627 2.411 1.00 0.00 C ATOM 1462 C THR A 99 -2.851 5.867 1.766 1.00 0.00 C ATOM 1463 O THR A 99 -1.683 6.186 1.992 1.00 0.00 O ATOM 1464 CB THR A 99 -2.896 4.441 3.821 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.175 3.139 4.306 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.449 5.431 4.823 1.00 0.00 C ATOM 0 H THR A 99 -2.219 3.181 1.535 1.00 0.00 H new ATOM 0 HA THR A 99 -4.540 4.766 2.474 1.00 0.00 H new ATOM 0 HB THR A 99 -1.823 4.606 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.635 2.485 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.007 5.243 5.802 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.207 6.445 4.504 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.531 5.319 4.886 1.00 0.00 H new ATOM 1474 N VAL A 100 -3.648 6.563 0.962 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.186 7.768 0.285 1.00 0.00 C ATOM 1476 C VAL A 100 -3.722 9.022 0.967 1.00 0.00 C ATOM 1477 O VAL A 100 -4.855 9.042 1.448 1.00 0.00 O ATOM 1478 CB VAL A 100 -3.613 7.781 -1.195 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -2.770 6.807 -2.003 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.093 7.454 -1.325 1.00 0.00 C ATOM 0 H VAL A 100 -4.617 6.313 0.764 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.097 7.763 0.341 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.449 8.782 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.086 6.830 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.720 7.092 -1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.898 5.800 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.378 7.468 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.285 6.465 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.679 8.195 -0.781 1.00 0.00 H new ATOM 1490 N LYS A 101 -2.901 10.066 1.004 1.00 0.00 N ATOM 1491 CA LYS A 101 -3.295 11.326 1.626 1.00 0.00 C ATOM 1492 C LYS A 101 -3.733 12.339 0.574 1.00 0.00 C ATOM 1493 O LYS A 101 -3.469 12.166 -0.617 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.138 11.896 2.449 1.00 0.00 C ATOM 1495 CG LYS A 101 -0.832 11.993 1.677 1.00 0.00 C ATOM 1496 CD LYS A 101 0.046 13.115 2.206 1.00 0.00 C ATOM 1497 CE LYS A 101 -0.567 14.479 1.931 1.00 0.00 C ATOM 1498 NZ LYS A 101 0.472 15.511 1.665 1.00 0.00 N ATOM 0 H LYS A 101 -1.960 10.065 0.611 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.139 11.128 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.413 12.888 2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -1.985 11.270 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.296 11.047 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.044 12.162 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.191 12.990 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.031 13.057 1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.237 14.410 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.172 14.784 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 0.013 16.426 1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.097 15.596 2.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.033 15.233 0.835 1.00 0.00 H new ATOM 1512 N ASP A 102 -4.403 13.396 1.020 1.00 0.00 N ATOM 1513 CA ASP A 102 -4.878 14.437 0.116 1.00 0.00 C ATOM 1514 C ASP A 102 -3.717 15.278 -0.404 1.00 0.00 C ATOM 1515 O ASP A 102 -3.267 16.211 0.259 1.00 0.00 O ATOM 1516 CB ASP A 102 -5.895 15.334 0.826 1.00 0.00 C ATOM 1517 CG ASP A 102 -5.322 15.980 2.072 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -4.458 15.356 2.723 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -5.737 17.112 2.397 1.00 0.00 O ATOM 0 H ASP A 102 -4.629 13.554 2.002 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.361 13.953 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.233 16.110 0.140 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.771 14.744 1.096 1.00 0.00 H new