USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 838 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: B 13 LYS NZ :NH3+ 146:sc= 0.535 (180deg=-3.32!) USER MOD Set 1.2: B 81 ASN : amide:sc= -1.79! C(o=1.4!,f=-8.3!) USER MOD Set 1.3: B 83 SER OG : rot -91:sc= 1.31 USER MOD Set 1.4: B 84 THR OG1 : rot 36:sc= 1.38 USER MOD Set 2.1: B 54 LYS NZ :NH3+ 153:sc= 1.1 (180deg=-1) USER MOD Set 2.2: B 66 GLN : amide:sc= 0.171 K(o=-2,f=-15!) USER MOD Set 2.3: B 76 ASN : amide:sc= -3.27 K(o=-2,f=-5.4!) USER MOD Set 3.1: B 51 LYS NZ :NH3+ 165:sc= 1.45 (180deg=0) USER MOD Set 3.2: B 52 CYS SG : rot 158:sc= -6.06! USER MOD Set 4.1: B 20 GLN : amide:sc= -1.23! K(o=1.1!,f=-4.7) USER MOD Set 4.2: B 38 LYS NZ :NH3+ -155:sc= 2.36 (180deg=0.942) USER MOD Set 5.1: B 17 GLN : amide:sc= 0.105 K(o=1.2,f=-3.6) USER MOD Set 5.2: B 18 LYS NZ :NH3+ 140:sc= 1.06 (180deg=0) USER MOD Single : A 404 ASN : amide:sc= -0.484 X(o=-0.48,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -162:sc= 0.741 (180deg=-0.868!) USER MOD Single : B 19 LYS NZ :NH3+ 153:sc= -0.129 (180deg=-0.918) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 42 THR OG1 : rot 84:sc= -1.28 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HE2:sc= -1.5 K(o=-1.5,f=-2.7) USER MOD Single : B 46 MET CE :methyl 146:sc= -0.439 (180deg=-1.69!) USER MOD Single : B 47 TYR OH : rot 143:sc= 1.06 USER MOD Single : B 53 GLN : amide:sc= -0.953 X(o=-0.95,f=-0.62) USER MOD Single : B 56 SER OG : rot 174:sc= -1.23 USER MOD Single : B 60 LYS NZ :NH3+ 165:sc= 2.99 (180deg=1.64!) USER MOD Single : B 62 LYS NZ :NH3+ -118:sc= 1.16 (180deg=-0.607) USER MOD Single : B 64 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.098) USER MOD Single : B 70 HIS : no HE2:sc= -5.72! C(o=-5.7!,f=-12!) USER MOD Single : B 74 THR OG1 : rot 47:sc= 0.0177 USER MOD Single : B 75 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -0.629 K(o=-0.63,f=-1.2) USER MOD Single : B 80 SER OG : rot 39:sc= 0.854 USER MOD Single : B 87 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.15) USER MOD Single : B 93 LYS NZ :NH3+ 177:sc= 2.59 (180deg=2.44) USER MOD Single : B 97 GLN : amide:sc= -1.25 K(o=-1.2,f=-0.74) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 102 LYS NZ :NH3+ 137:sc= 0.871 (180deg=-1.34!) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.668 13.029 11.995 1.00 0.00 N ATOM 102 CA GLU A 399 0.473 12.887 12.816 1.00 0.00 C ATOM 103 C GLU A 399 -0.408 11.758 12.325 1.00 0.00 C ATOM 104 O GLU A 399 -1.215 11.941 11.422 1.00 0.00 O ATOM 105 CB GLU A 399 -0.283 14.203 12.775 1.00 0.00 C ATOM 106 CG GLU A 399 -1.417 14.308 13.764 1.00 0.00 C ATOM 107 CD GLU A 399 -2.223 15.573 13.555 1.00 0.00 C ATOM 108 OE1 GLU A 399 -3.395 15.605 13.974 1.00 0.00 O ATOM 109 OE2 GLU A 399 -1.686 16.523 12.935 1.00 0.00 O ATOM 0 HA GLU A 399 0.763 12.643 13.838 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.419 15.016 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.680 14.347 11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -2.069 13.440 13.665 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -1.019 14.293 14.778 1.00 0.00 H new ATOM 116 N ASP A 400 -0.270 10.603 12.937 1.00 0.00 N ATOM 117 CA ASP A 400 -1.039 9.442 12.537 1.00 0.00 C ATOM 118 C ASP A 400 -1.583 8.682 13.743 1.00 0.00 C ATOM 119 O ASP A 400 -0.928 7.805 14.297 1.00 0.00 O ATOM 120 CB ASP A 400 -0.169 8.535 11.676 1.00 0.00 C ATOM 121 CG ASP A 400 1.166 8.192 12.319 1.00 0.00 C ATOM 122 OD1 ASP A 400 2.010 9.100 12.471 1.00 0.00 O ATOM 123 OD2 ASP A 400 1.374 7.007 12.649 1.00 0.00 O ATOM 0 H ASP A 400 0.369 10.441 13.716 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.899 9.779 11.958 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.712 7.613 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 400 0.012 9.021 10.717 1.00 0.00 H new ATOM 128 N ASP A 401 -2.787 9.033 14.150 1.00 0.00 N ATOM 129 CA ASP A 401 -3.417 8.394 15.306 1.00 0.00 C ATOM 130 C ASP A 401 -4.903 8.118 15.089 1.00 0.00 C ATOM 131 O ASP A 401 -5.371 7.012 15.354 1.00 0.00 O ATOM 132 CB ASP A 401 -3.207 9.241 16.571 1.00 0.00 C ATOM 133 CG ASP A 401 -3.845 10.621 16.487 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.213 11.168 17.542 1.00 0.00 O ATOM 135 OD2 ASP A 401 -3.979 11.162 15.362 1.00 0.00 O ATOM 0 H ASP A 401 -3.353 9.754 13.704 1.00 0.00 H new ATOM 0 HA ASP A 401 -2.931 7.427 15.436 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.620 8.709 17.428 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.138 9.353 16.751 1.00 0.00 H new ATOM 140 N ASP A 402 -5.640 9.113 14.596 1.00 0.00 N ATOM 141 CA ASP A 402 -7.079 8.965 14.337 1.00 0.00 C ATOM 142 C ASP A 402 -7.316 8.071 13.130 1.00 0.00 C ATOM 143 O ASP A 402 -8.437 7.943 12.633 1.00 0.00 O ATOM 144 CB ASP A 402 -7.745 10.328 14.115 1.00 0.00 C ATOM 145 CG ASP A 402 -7.067 11.167 13.042 1.00 0.00 C ATOM 146 OD1 ASP A 402 -7.161 12.408 13.123 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.419 10.596 12.135 1.00 0.00 O ATOM 0 H ASP A 402 -5.267 10.034 14.366 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.527 8.502 15.216 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.788 10.173 13.839 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.743 10.882 15.054 1.00 0.00 H new ATOM 152 N PHE A 403 -6.238 7.459 12.681 1.00 0.00 N ATOM 153 CA PHE A 403 -6.233 6.568 11.560 1.00 0.00 C ATOM 154 C PHE A 403 -7.300 5.485 11.718 1.00 0.00 C ATOM 155 O PHE A 403 -7.254 4.685 12.651 1.00 0.00 O ATOM 156 CB PHE A 403 -4.863 5.936 11.497 1.00 0.00 C ATOM 157 CG PHE A 403 -4.036 6.344 10.339 1.00 0.00 C ATOM 158 CD1 PHE A 403 -2.727 6.729 10.518 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.554 6.293 9.069 1.00 0.00 C ATOM 160 CE1 PHE A 403 -1.945 7.054 9.438 1.00 0.00 C ATOM 161 CE2 PHE A 403 -3.783 6.625 7.988 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.474 7.003 8.172 1.00 0.00 C ATOM 0 H PHE A 403 -5.318 7.578 13.106 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.456 7.115 10.644 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.325 6.181 12.413 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.980 4.853 11.476 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.313 6.776 11.514 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.579 5.988 8.921 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -0.916 7.349 9.584 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.202 6.590 6.993 1.00 0.00 H new ATOM 0 HZ PHE A 403 -1.862 7.260 7.320 1.00 0.00 H new ATOM 172 N ASN A 404 -8.243 5.464 10.796 1.00 0.00 N ATOM 173 CA ASN A 404 -9.328 4.494 10.827 1.00 0.00 C ATOM 174 C ASN A 404 -8.829 3.170 10.288 1.00 0.00 C ATOM 175 O ASN A 404 -8.226 3.126 9.222 1.00 0.00 O ATOM 176 CB ASN A 404 -10.524 4.980 10.004 1.00 0.00 C ATOM 177 CG ASN A 404 -11.433 5.926 10.774 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.646 5.927 10.582 1.00 0.00 O ATOM 179 ND2 ASN A 404 -10.858 6.743 11.643 1.00 0.00 N ATOM 0 H ASN A 404 -8.282 6.112 10.009 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.659 4.371 11.858 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.161 5.484 9.108 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.103 4.118 9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.426 7.400 12.178 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -9.847 6.715 11.777 1.00 0.00 H new ATOM 361 N VAL B 8 -0.368 0.615 -13.620 1.00 0.00 N ATOM 362 CA VAL B 8 -0.916 1.519 -12.630 1.00 0.00 C ATOM 363 C VAL B 8 -2.398 1.729 -12.866 1.00 0.00 C ATOM 364 O VAL B 8 -2.802 2.308 -13.875 1.00 0.00 O ATOM 365 CB VAL B 8 -0.195 2.875 -12.640 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.901 3.852 -11.717 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.258 2.695 -12.234 1.00 0.00 C ATOM 0 HA VAL B 8 -0.766 1.060 -11.653 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.220 3.285 -13.650 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.380 4.809 -11.733 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.928 3.992 -12.053 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.902 3.457 -10.701 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.761 3.662 -12.244 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.306 2.272 -11.231 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.751 2.022 -12.936 1.00 0.00 H new ATOM 377 N LEU B 9 -3.204 1.241 -11.942 1.00 0.00 N ATOM 378 CA LEU B 9 -4.642 1.385 -12.047 1.00 0.00 C ATOM 379 C LEU B 9 -5.096 2.688 -11.395 1.00 0.00 C ATOM 380 O LEU B 9 -6.068 3.306 -11.824 1.00 0.00 O ATOM 381 CB LEU B 9 -5.361 0.201 -11.392 1.00 0.00 C ATOM 382 CG LEU B 9 -4.734 -1.177 -11.631 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.526 -2.246 -10.896 1.00 0.00 C ATOM 384 CD2 LEU B 9 -4.660 -1.497 -13.118 1.00 0.00 C ATOM 0 H LEU B 9 -2.887 0.742 -11.111 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.900 1.406 -13.106 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.406 0.377 -10.317 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.389 0.179 -11.754 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.716 -1.160 -11.242 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.072 -3.221 -11.073 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.522 -2.032 -9.827 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.553 -2.253 -11.260 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.211 -2.480 -13.257 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.664 -1.494 -13.541 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.052 -0.746 -13.622 1.00 0.00 H new ATOM 396 N LEU B 10 -4.384 3.098 -10.354 1.00 0.00 N ATOM 397 CA LEU B 10 -4.716 4.319 -9.636 1.00 0.00 C ATOM 398 C LEU B 10 -3.500 5.215 -9.464 1.00 0.00 C ATOM 399 O LEU B 10 -2.484 4.792 -8.911 1.00 0.00 O ATOM 400 CB LEU B 10 -5.272 3.971 -8.263 1.00 0.00 C ATOM 401 CG LEU B 10 -5.710 5.175 -7.424 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.165 5.520 -7.664 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.472 4.912 -5.952 1.00 0.00 C ATOM 0 H LEU B 10 -3.572 2.601 -9.988 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.461 4.857 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -6.125 3.305 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.514 3.416 -7.709 1.00 0.00 H new ATOM 0 HG LEU B 10 -5.107 6.028 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.441 6.379 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.313 5.762 -8.717 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.790 4.668 -7.396 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.789 5.778 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -6.044 4.038 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.411 4.730 -5.782 1.00 0.00 H new ATOM 415 N ILE B 11 -3.605 6.448 -9.936 1.00 0.00 N ATOM 416 CA ILE B 11 -2.521 7.404 -9.798 1.00 0.00 C ATOM 417 C ILE B 11 -2.894 8.456 -8.770 1.00 0.00 C ATOM 418 O ILE B 11 -3.897 9.156 -8.917 1.00 0.00 O ATOM 419 CB ILE B 11 -2.167 8.115 -11.120 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.831 7.094 -12.208 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.995 9.067 -10.891 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.494 7.715 -13.546 1.00 0.00 C ATOM 0 H ILE B 11 -4.429 6.808 -10.417 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.646 6.835 -9.483 1.00 0.00 H new ATOM 0 HB ILE B 11 -3.029 8.690 -11.457 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.988 6.488 -11.877 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.678 6.420 -12.334 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.746 9.569 -11.826 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.271 9.810 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -0.131 8.503 -10.541 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.267 6.928 -14.266 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.344 8.298 -13.901 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.628 8.367 -13.437 1.00 0.00 H new ATOM 434 N VAL B 12 -2.088 8.554 -7.737 1.00 0.00 N ATOM 435 CA VAL B 12 -2.306 9.508 -6.677 1.00 0.00 C ATOM 436 C VAL B 12 -1.205 10.548 -6.722 1.00 0.00 C ATOM 437 O VAL B 12 -0.082 10.255 -7.130 1.00 0.00 O ATOM 438 CB VAL B 12 -2.327 8.821 -5.303 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.884 9.747 -4.242 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.133 7.537 -5.369 1.00 0.00 C ATOM 0 H VAL B 12 -1.260 7.972 -7.609 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.277 9.982 -6.823 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.301 8.575 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.888 9.236 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.263 10.640 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.903 10.032 -4.506 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.139 7.061 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.156 7.765 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.683 6.862 -6.097 1.00 0.00 H new ATOM 450 N LYS B 13 -1.519 11.748 -6.303 1.00 0.00 N ATOM 451 CA LYS B 13 -0.558 12.831 -6.337 1.00 0.00 C ATOM 452 C LYS B 13 -0.220 13.324 -4.945 1.00 0.00 C ATOM 453 O LYS B 13 -0.794 12.855 -3.969 1.00 0.00 O ATOM 454 CB LYS B 13 -1.102 13.973 -7.184 1.00 0.00 C ATOM 455 CG LYS B 13 -1.227 13.609 -8.648 1.00 0.00 C ATOM 456 CD LYS B 13 -2.438 14.261 -9.289 1.00 0.00 C ATOM 457 CE LYS B 13 -3.736 13.541 -8.938 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.297 13.972 -7.627 1.00 0.00 N ATOM 0 H LYS B 13 -2.434 12.004 -5.933 1.00 0.00 H new ATOM 0 HA LYS B 13 0.362 12.453 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.080 14.268 -6.803 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.446 14.838 -7.084 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.325 13.917 -9.177 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -1.301 12.526 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.502 15.300 -8.966 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.312 14.271 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.472 13.725 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.556 12.466 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.336 13.952 -7.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.969 13.327 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.978 14.939 -7.414 1.00 0.00 H new ATOM 472 N LYS B 14 0.660 14.328 -4.912 1.00 0.00 N ATOM 473 CA LYS B 14 1.176 14.958 -3.685 1.00 0.00 C ATOM 474 C LYS B 14 0.978 14.115 -2.424 1.00 0.00 C ATOM 475 O LYS B 14 0.267 14.504 -1.498 1.00 0.00 O ATOM 476 CB LYS B 14 0.520 16.327 -3.500 1.00 0.00 C ATOM 477 CG LYS B 14 1.173 17.430 -4.312 1.00 0.00 C ATOM 478 CD LYS B 14 1.918 18.410 -3.421 1.00 0.00 C ATOM 479 CE LYS B 14 3.249 18.814 -4.031 1.00 0.00 C ATOM 480 NZ LYS B 14 4.166 17.655 -4.164 1.00 0.00 N ATOM 0 H LYS B 14 1.047 14.740 -5.761 1.00 0.00 H new ATOM 0 HA LYS B 14 2.253 15.057 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.532 16.257 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.553 16.597 -2.444 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.865 16.993 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.412 17.962 -4.883 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.305 19.297 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.086 17.959 -2.443 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.080 19.259 -5.012 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.717 19.579 -3.411 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.141 17.996 -4.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.111 17.068 -3.307 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.890 17.087 -4.990 1.00 0.00 H new ATOM 494 N VAL B 15 1.619 12.958 -2.407 1.00 0.00 N ATOM 495 CA VAL B 15 1.562 12.054 -1.273 1.00 0.00 C ATOM 496 C VAL B 15 2.943 11.978 -0.655 1.00 0.00 C ATOM 497 O VAL B 15 3.924 11.725 -1.350 1.00 0.00 O ATOM 498 CB VAL B 15 1.090 10.634 -1.670 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.403 9.627 -0.573 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.398 10.631 -1.963 1.00 0.00 C ATOM 0 H VAL B 15 2.193 12.620 -3.179 1.00 0.00 H new ATOM 0 HA VAL B 15 0.833 12.443 -0.562 1.00 0.00 H new ATOM 0 HB VAL B 15 1.631 10.343 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL B 15 1.061 8.638 -0.878 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.479 9.601 -0.399 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.894 9.920 0.345 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.712 9.625 -2.240 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.944 10.950 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.609 11.316 -2.784 1.00 0.00 H new ATOM 510 N ARG B 16 3.023 12.215 0.637 1.00 0.00 N ATOM 511 CA ARG B 16 4.289 12.190 1.325 1.00 0.00 C ATOM 512 C ARG B 16 4.493 10.886 2.073 1.00 0.00 C ATOM 513 O ARG B 16 3.643 10.451 2.843 1.00 0.00 O ATOM 514 CB ARG B 16 4.398 13.376 2.283 1.00 0.00 C ATOM 515 CG ARG B 16 4.338 14.713 1.575 1.00 0.00 C ATOM 516 CD ARG B 16 4.174 15.860 2.552 1.00 0.00 C ATOM 517 NE ARG B 16 4.019 17.132 1.853 1.00 0.00 N ATOM 518 CZ ARG B 16 3.315 18.160 2.309 1.00 0.00 C ATOM 519 NH1 ARG B 16 2.673 18.073 3.471 1.00 0.00 N ATOM 520 NH2 ARG B 16 3.232 19.267 1.584 1.00 0.00 N ATOM 0 H ARG B 16 2.221 12.428 1.231 1.00 0.00 H new ATOM 0 HA ARG B 16 5.075 12.267 0.574 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.591 13.321 3.014 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.335 13.305 2.836 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.249 14.858 0.994 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.507 14.714 0.870 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.304 15.681 3.184 1.00 0.00 H new ATOM 0 HD3 ARG B 16 5.042 15.907 3.210 1.00 0.00 H new ATOM 0 HE ARG B 16 4.484 17.238 0.951 1.00 0.00 H new ATOM 0 HH11 ARG B 16 2.720 17.213 4.017 1.00 0.00 H new ATOM 0 HH12 ARG B 16 2.133 18.867 3.816 1.00 0.00 H new ATOM 0 HH21 ARG B 16 3.707 19.324 0.683 1.00 0.00 H new ATOM 0 HH22 ARG B 16 2.693 20.062 1.927 1.00 0.00 H new ATOM 534 N GLN B 17 5.614 10.251 1.804 1.00 0.00 N ATOM 535 CA GLN B 17 5.978 9.020 2.467 1.00 0.00 C ATOM 536 C GLN B 17 7.076 9.342 3.459 1.00 0.00 C ATOM 537 O GLN B 17 8.220 9.572 3.067 1.00 0.00 O ATOM 538 CB GLN B 17 6.454 7.974 1.453 1.00 0.00 C ATOM 539 CG GLN B 17 7.141 6.769 2.082 1.00 0.00 C ATOM 540 CD GLN B 17 6.209 5.955 2.953 1.00 0.00 C ATOM 541 OE1 GLN B 17 6.621 5.378 3.958 1.00 0.00 O ATOM 542 NE2 GLN B 17 4.949 5.891 2.567 1.00 0.00 N ATOM 0 H GLN B 17 6.297 10.575 1.120 1.00 0.00 H new ATOM 0 HA GLN B 17 5.114 8.599 2.980 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.598 7.629 0.873 1.00 0.00 H new ATOM 0 HB3 GLN B 17 7.143 8.448 0.754 1.00 0.00 H new ATOM 0 HG2 GLN B 17 7.543 6.133 1.294 1.00 0.00 H new ATOM 0 HG3 GLN B 17 7.986 7.109 2.680 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.647 6.384 1.727 1.00 0.00 H new ATOM 0 HE22 GLN B 17 4.277 5.348 3.109 1.00 0.00 H new ATOM 551 N LYS B 18 6.709 9.404 4.731 1.00 0.00 N ATOM 552 CA LYS B 18 7.653 9.721 5.790 1.00 0.00 C ATOM 553 C LYS B 18 8.190 11.137 5.609 1.00 0.00 C ATOM 554 O LYS B 18 9.398 11.370 5.656 1.00 0.00 O ATOM 555 CB LYS B 18 8.795 8.701 5.823 1.00 0.00 C ATOM 556 CG LYS B 18 9.090 8.178 7.213 1.00 0.00 C ATOM 557 CD LYS B 18 7.899 7.416 7.766 1.00 0.00 C ATOM 558 CE LYS B 18 7.574 6.202 6.908 1.00 0.00 C ATOM 559 NZ LYS B 18 6.125 6.102 6.590 1.00 0.00 N ATOM 0 H LYS B 18 5.756 9.237 5.055 1.00 0.00 H new ATOM 0 HA LYS B 18 7.133 9.670 6.747 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.544 7.863 5.173 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.696 9.161 5.416 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.963 7.526 7.183 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.335 9.009 7.875 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.111 7.097 8.787 1.00 0.00 H new ATOM 0 HD3 LYS B 18 7.032 8.075 7.811 1.00 0.00 H new ATOM 0 HE2 LYS B 18 8.144 6.254 5.980 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.892 5.298 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 6.006 5.795 5.604 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.677 5.410 7.224 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.676 7.031 6.719 1.00 0.00 H new ATOM 573 N LYS B 19 7.261 12.066 5.366 1.00 0.00 N ATOM 574 CA LYS B 19 7.571 13.487 5.176 1.00 0.00 C ATOM 575 C LYS B 19 8.213 13.761 3.810 1.00 0.00 C ATOM 576 O LYS B 19 8.678 14.869 3.551 1.00 0.00 O ATOM 577 CB LYS B 19 8.480 14.015 6.298 1.00 0.00 C ATOM 578 CG LYS B 19 7.741 14.751 7.408 1.00 0.00 C ATOM 579 CD LYS B 19 7.250 13.807 8.500 1.00 0.00 C ATOM 580 CE LYS B 19 7.369 14.438 9.879 1.00 0.00 C ATOM 581 NZ LYS B 19 7.027 15.889 9.870 1.00 0.00 N ATOM 0 H LYS B 19 6.266 11.852 5.295 1.00 0.00 H new ATOM 0 HA LYS B 19 6.620 14.019 5.213 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.025 13.177 6.733 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.221 14.686 5.864 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.401 15.499 7.847 1.00 0.00 H new ATOM 0 HG3 LYS B 19 6.891 15.286 6.984 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.211 13.539 8.310 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.828 12.883 8.471 1.00 0.00 H new ATOM 0 HE2 LYS B 19 6.710 13.916 10.573 1.00 0.00 H new ATOM 0 HE3 LYS B 19 8.386 14.309 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 6.678 16.169 10.809 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 7.875 16.444 9.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.289 16.067 9.159 1.00 0.00 H new ATOM 595 N GLN B 20 8.228 12.762 2.935 1.00 0.00 N ATOM 596 CA GLN B 20 8.806 12.925 1.604 1.00 0.00 C ATOM 597 C GLN B 20 7.696 13.040 0.564 1.00 0.00 C ATOM 598 O GLN B 20 6.934 12.103 0.372 1.00 0.00 O ATOM 599 CB GLN B 20 9.709 11.731 1.283 1.00 0.00 C ATOM 600 CG GLN B 20 10.388 11.807 -0.074 1.00 0.00 C ATOM 601 CD GLN B 20 11.653 12.646 -0.058 1.00 0.00 C ATOM 602 OE1 GLN B 20 12.048 13.217 -1.079 1.00 0.00 O ATOM 603 NE2 GLN B 20 12.299 12.722 1.098 1.00 0.00 N ATOM 0 H GLN B 20 7.848 11.834 3.121 1.00 0.00 H new ATOM 0 HA GLN B 20 9.402 13.837 1.582 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.474 11.651 2.055 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.115 10.818 1.328 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.631 10.799 -0.409 1.00 0.00 H new ATOM 0 HG3 GLN B 20 9.691 12.225 -0.800 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.937 12.234 1.917 1.00 0.00 H new ATOM 0 HE22 GLN B 20 13.158 13.268 1.167 1.00 0.00 H new ATOM 612 N ASP B 21 7.637 14.169 -0.129 1.00 0.00 N ATOM 613 CA ASP B 21 6.592 14.412 -1.132 1.00 0.00 C ATOM 614 C ASP B 21 6.798 13.573 -2.394 1.00 0.00 C ATOM 615 O ASP B 21 7.934 13.285 -2.784 1.00 0.00 O ATOM 616 CB ASP B 21 6.553 15.897 -1.497 1.00 0.00 C ATOM 617 CG ASP B 21 5.159 16.487 -1.396 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.255 16.016 -2.118 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.964 17.434 -0.603 1.00 0.00 O ATOM 0 H ASP B 21 8.299 14.937 -0.019 1.00 0.00 H new ATOM 0 HA ASP B 21 5.641 14.114 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.225 16.447 -0.838 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.926 16.027 -2.513 1.00 0.00 H new ATOM 624 N GLY B 22 5.691 13.186 -3.027 1.00 0.00 N ATOM 625 CA GLY B 22 5.759 12.389 -4.238 1.00 0.00 C ATOM 626 C GLY B 22 4.386 12.018 -4.781 1.00 0.00 C ATOM 627 O GLY B 22 3.384 12.640 -4.434 1.00 0.00 O ATOM 0 H GLY B 22 4.745 13.413 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.308 12.942 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.323 11.478 -4.036 1.00 0.00 H new ATOM 631 N ALA B 23 4.347 10.993 -5.621 1.00 0.00 N ATOM 632 CA ALA B 23 3.107 10.520 -6.232 1.00 0.00 C ATOM 633 C ALA B 23 2.965 9.019 -6.016 1.00 0.00 C ATOM 634 O ALA B 23 3.926 8.263 -6.175 1.00 0.00 O ATOM 635 CB ALA B 23 3.091 10.851 -7.717 1.00 0.00 C ATOM 0 H ALA B 23 5.173 10.464 -5.900 1.00 0.00 H new ATOM 0 HA ALA B 23 2.263 11.023 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.162 10.493 -8.160 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.164 11.930 -7.850 1.00 0.00 H new ATOM 0 HB3 ALA B 23 3.936 10.367 -8.207 1.00 0.00 H new ATOM 641 N LEU B 24 1.769 8.596 -5.655 1.00 0.00 N ATOM 642 CA LEU B 24 1.486 7.192 -5.392 1.00 0.00 C ATOM 643 C LEU B 24 0.863 6.537 -6.624 1.00 0.00 C ATOM 644 O LEU B 24 0.039 7.137 -7.300 1.00 0.00 O ATOM 645 CB LEU B 24 0.548 7.087 -4.187 1.00 0.00 C ATOM 646 CG LEU B 24 0.137 5.669 -3.798 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.089 5.066 -2.793 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.278 5.663 -3.250 1.00 0.00 C ATOM 0 H LEU B 24 0.965 9.212 -5.535 1.00 0.00 H new ATOM 0 HA LEU B 24 2.415 6.667 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.032 7.555 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.353 7.663 -4.398 1.00 0.00 H new ATOM 0 HG LEU B 24 0.175 5.056 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.762 4.057 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.091 5.027 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.102 5.678 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.558 4.646 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.330 6.303 -2.369 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.964 6.036 -4.010 1.00 0.00 H new ATOM 660 N TYR B 25 1.271 5.315 -6.926 1.00 0.00 N ATOM 661 CA TYR B 25 0.752 4.591 -8.081 1.00 0.00 C ATOM 662 C TYR B 25 0.364 3.171 -7.687 1.00 0.00 C ATOM 663 O TYR B 25 1.224 2.335 -7.415 1.00 0.00 O ATOM 664 CB TYR B 25 1.791 4.539 -9.209 1.00 0.00 C ATOM 665 CG TYR B 25 2.275 5.887 -9.700 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.686 6.502 -10.797 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.336 6.534 -9.078 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.138 7.724 -11.258 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.791 7.756 -9.531 1.00 0.00 C ATOM 670 CZ TYR B 25 3.189 8.347 -10.621 1.00 0.00 C ATOM 671 OH TYR B 25 3.640 9.564 -11.077 1.00 0.00 O ATOM 0 H TYR B 25 1.965 4.799 -6.385 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.130 5.123 -8.438 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.651 3.966 -8.863 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.363 3.995 -10.051 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.861 6.017 -11.298 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.813 6.073 -8.226 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.670 8.188 -12.113 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.615 8.247 -9.034 1.00 0.00 H new ATOM 0 HH TYR B 25 4.385 9.867 -10.517 1.00 0.00 H new ATOM 681 N LEU B 26 -0.929 2.895 -7.663 1.00 0.00 N ATOM 682 CA LEU B 26 -1.402 1.572 -7.288 1.00 0.00 C ATOM 683 C LEU B 26 -1.457 0.655 -8.495 1.00 0.00 C ATOM 684 O LEU B 26 -2.086 0.976 -9.503 1.00 0.00 O ATOM 685 CB LEU B 26 -2.777 1.636 -6.631 1.00 0.00 C ATOM 686 CG LEU B 26 -2.872 2.550 -5.416 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.054 2.177 -4.553 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.613 2.504 -4.589 1.00 0.00 C ATOM 0 H LEU B 26 -1.665 3.562 -7.896 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.692 1.169 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.502 1.969 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -3.067 0.629 -6.332 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.005 3.565 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.101 2.844 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.972 2.269 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.944 1.148 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.717 3.168 -3.731 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.443 1.485 -4.241 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.767 2.826 -5.196 1.00 0.00 H new ATOM 700 N MET B 27 -0.793 -0.478 -8.383 1.00 0.00 N ATOM 701 CA MET B 27 -0.756 -1.462 -9.449 1.00 0.00 C ATOM 702 C MET B 27 -1.681 -2.613 -9.096 1.00 0.00 C ATOM 703 O MET B 27 -2.050 -2.768 -7.935 1.00 0.00 O ATOM 704 CB MET B 27 0.676 -1.940 -9.666 1.00 0.00 C ATOM 705 CG MET B 27 1.622 -0.781 -9.906 1.00 0.00 C ATOM 706 SD MET B 27 3.271 -1.279 -10.411 1.00 0.00 S ATOM 707 CE MET B 27 3.931 0.335 -10.817 1.00 0.00 C ATOM 0 H MET B 27 -0.264 -0.743 -7.552 1.00 0.00 H new ATOM 0 HA MET B 27 -1.100 -1.017 -10.382 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.007 -2.506 -8.795 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.708 -2.619 -10.518 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.199 -0.132 -10.673 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.695 -0.190 -8.993 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.962 0.232 -11.156 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.332 0.784 -11.609 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.902 0.973 -9.934 1.00 0.00 H new ATOM 717 N ALA B 28 -2.022 -3.431 -10.076 1.00 0.00 N ATOM 718 CA ALA B 28 -2.952 -4.539 -9.872 1.00 0.00 C ATOM 719 C ALA B 28 -2.515 -5.488 -8.761 1.00 0.00 C ATOM 720 O ALA B 28 -3.342 -5.956 -7.978 1.00 0.00 O ATOM 721 CB ALA B 28 -3.142 -5.311 -11.169 1.00 0.00 C ATOM 0 H ALA B 28 -1.668 -3.352 -11.029 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.899 -4.099 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.837 -6.134 -11.004 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -3.543 -4.645 -11.933 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -2.182 -5.708 -11.500 1.00 0.00 H new ATOM 727 N GLU B 29 -1.222 -5.761 -8.672 1.00 0.00 N ATOM 728 CA GLU B 29 -0.733 -6.685 -7.660 1.00 0.00 C ATOM 729 C GLU B 29 0.135 -6.011 -6.595 1.00 0.00 C ATOM 730 O GLU B 29 0.608 -6.678 -5.666 1.00 0.00 O ATOM 731 CB GLU B 29 0.058 -7.820 -8.322 1.00 0.00 C ATOM 732 CG GLU B 29 -0.657 -8.480 -9.496 1.00 0.00 C ATOM 733 CD GLU B 29 -1.946 -9.172 -9.093 1.00 0.00 C ATOM 734 OE1 GLU B 29 -1.886 -10.178 -8.361 1.00 0.00 O ATOM 735 OE2 GLU B 29 -3.030 -8.712 -9.504 1.00 0.00 O ATOM 0 H GLU B 29 -0.503 -5.364 -9.277 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.613 -7.080 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.014 -7.427 -8.668 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.278 -8.580 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.877 -7.725 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.010 -9.208 -9.958 1.00 0.00 H new ATOM 742 N ARG B 30 0.326 -4.697 -6.674 1.00 0.00 N ATOM 743 CA ARG B 30 1.185 -4.034 -5.695 1.00 0.00 C ATOM 744 C ARG B 30 0.960 -2.532 -5.637 1.00 0.00 C ATOM 745 O ARG B 30 0.521 -1.920 -6.599 1.00 0.00 O ATOM 746 CB ARG B 30 2.662 -4.320 -6.011 1.00 0.00 C ATOM 747 CG ARG B 30 3.261 -3.410 -7.077 1.00 0.00 C ATOM 748 CD ARG B 30 3.990 -4.202 -8.151 1.00 0.00 C ATOM 749 NE ARG B 30 3.117 -4.528 -9.278 1.00 0.00 N ATOM 750 CZ ARG B 30 2.737 -5.765 -9.603 1.00 0.00 C ATOM 751 NH1 ARG B 30 3.176 -6.808 -8.902 1.00 0.00 N ATOM 752 NH2 ARG B 30 1.928 -5.959 -10.636 1.00 0.00 N ATOM 0 H ARG B 30 -0.086 -4.087 -7.380 1.00 0.00 H new ATOM 0 HA ARG B 30 0.923 -4.441 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.244 -4.219 -5.095 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.758 -5.355 -6.338 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.469 -2.818 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.953 -2.709 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG B 30 4.844 -3.627 -8.508 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.383 -5.122 -7.719 1.00 0.00 H new ATOM 0 HE ARG B 30 2.776 -3.758 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG B 30 3.806 -6.663 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG B 30 2.883 -7.752 -9.154 1.00 0.00 H new ATOM 0 HH21 ARG B 30 1.597 -5.163 -11.181 1.00 0.00 H new ATOM 0 HH22 ARG B 30 1.637 -6.904 -10.885 1.00 0.00 H new ATOM 766 N ILE B 31 1.271 -1.953 -4.493 1.00 0.00 N ATOM 767 CA ILE B 31 1.150 -0.520 -4.288 1.00 0.00 C ATOM 768 C ILE B 31 2.542 0.097 -4.369 1.00 0.00 C ATOM 769 O ILE B 31 3.434 -0.254 -3.590 1.00 0.00 O ATOM 770 CB ILE B 31 0.486 -0.181 -2.928 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.851 1.241 -2.487 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.882 -1.196 -1.862 1.00 0.00 C ATOM 773 CD1 ILE B 31 0.018 1.756 -1.334 1.00 0.00 C ATOM 0 H ILE B 31 1.615 -2.462 -3.679 1.00 0.00 H new ATOM 0 HA ILE B 31 0.505 -0.107 -5.063 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.595 -0.231 -3.057 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.903 1.264 -2.202 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.736 1.915 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.404 -0.937 -0.917 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.561 -2.191 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.965 -1.187 -1.735 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.335 2.767 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.033 1.767 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.151 1.106 -0.470 1.00 0.00 H new ATOM 785 N ALA B 32 2.738 0.976 -5.335 1.00 0.00 N ATOM 786 CA ALA B 32 4.023 1.623 -5.520 1.00 0.00 C ATOM 787 C ALA B 32 3.888 3.126 -5.351 1.00 0.00 C ATOM 788 O ALA B 32 2.822 3.689 -5.563 1.00 0.00 O ATOM 789 CB ALA B 32 4.593 1.290 -6.892 1.00 0.00 C ATOM 0 H ALA B 32 2.022 1.258 -6.004 1.00 0.00 H new ATOM 0 HA ALA B 32 4.711 1.251 -4.761 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.557 1.783 -7.015 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.723 0.211 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA B 32 3.907 1.637 -7.665 1.00 0.00 H new ATOM 795 N TRP B 33 4.957 3.767 -4.934 1.00 0.00 N ATOM 796 CA TRP B 33 4.951 5.206 -4.752 1.00 0.00 C ATOM 797 C TRP B 33 6.331 5.768 -5.071 1.00 0.00 C ATOM 798 O TRP B 33 7.350 5.207 -4.654 1.00 0.00 O ATOM 799 CB TRP B 33 4.492 5.555 -3.326 1.00 0.00 C ATOM 800 CG TRP B 33 4.684 6.992 -2.939 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.749 7.978 -3.011 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.868 7.602 -2.411 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.275 9.164 -2.576 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.575 8.961 -2.200 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.148 7.134 -2.100 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.512 9.854 -1.694 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.078 8.022 -1.597 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.755 9.370 -1.398 1.00 0.00 C ATOM 0 H TRP B 33 5.845 3.316 -4.713 1.00 0.00 H new ATOM 0 HA TRP B 33 4.241 5.666 -5.440 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.436 5.304 -3.228 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.036 4.927 -2.620 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.736 7.844 -3.361 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.779 10.054 -2.538 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.405 6.096 -2.251 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.266 10.894 -1.540 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.070 7.671 -1.353 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.504 10.041 -1.003 1.00 0.00 H new ATOM 819 N ALA B 34 6.360 6.856 -5.827 1.00 0.00 N ATOM 820 CA ALA B 34 7.611 7.487 -6.214 1.00 0.00 C ATOM 821 C ALA B 34 7.662 8.926 -5.728 1.00 0.00 C ATOM 822 O ALA B 34 6.726 9.695 -5.945 1.00 0.00 O ATOM 823 CB ALA B 34 7.788 7.437 -7.724 1.00 0.00 C ATOM 0 H ALA B 34 5.526 7.321 -6.186 1.00 0.00 H new ATOM 0 HA ALA B 34 8.427 6.936 -5.747 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.730 7.914 -7.996 1.00 0.00 H new ATOM 0 HB2 ALA B 34 7.798 6.399 -8.055 1.00 0.00 H new ATOM 0 HB3 ALA B 34 6.963 7.963 -8.205 1.00 0.00 H new ATOM 829 N PRO B 35 8.754 9.306 -5.056 1.00 0.00 N ATOM 830 CA PRO B 35 8.927 10.660 -4.544 1.00 0.00 C ATOM 831 C PRO B 35 9.227 11.652 -5.663 1.00 0.00 C ATOM 832 O PRO B 35 9.929 11.328 -6.623 1.00 0.00 O ATOM 833 CB PRO B 35 10.116 10.535 -3.590 1.00 0.00 C ATOM 834 CG PRO B 35 10.887 9.352 -4.072 1.00 0.00 C ATOM 835 CD PRO B 35 9.902 8.436 -4.749 1.00 0.00 C ATOM 0 HA PRO B 35 8.027 11.039 -4.059 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.729 11.436 -3.605 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.782 10.394 -2.562 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.670 9.658 -4.766 1.00 0.00 H new ATOM 0 HG3 PRO B 35 11.377 8.846 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.323 7.997 -5.654 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.614 7.610 -4.099 1.00 0.00 H new ATOM 843 N GLU B 36 8.701 12.862 -5.532 1.00 0.00 N ATOM 844 CA GLU B 36 8.902 13.895 -6.537 1.00 0.00 C ATOM 845 C GLU B 36 10.380 14.234 -6.678 1.00 0.00 C ATOM 846 O GLU B 36 11.088 14.436 -5.684 1.00 0.00 O ATOM 847 CB GLU B 36 8.088 15.143 -6.196 1.00 0.00 C ATOM 848 CG GLU B 36 6.642 15.060 -6.663 1.00 0.00 C ATOM 849 CD GLU B 36 5.788 16.199 -6.147 1.00 0.00 C ATOM 850 OE1 GLU B 36 6.349 17.190 -5.632 1.00 0.00 O ATOM 851 OE2 GLU B 36 4.543 16.106 -6.244 1.00 0.00 O ATOM 0 H GLU B 36 8.131 13.152 -4.738 1.00 0.00 H new ATOM 0 HA GLU B 36 8.552 13.511 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU B 36 8.107 15.298 -5.117 1.00 0.00 H new ATOM 0 HB3 GLU B 36 8.561 16.013 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU B 36 6.617 15.059 -7.753 1.00 0.00 H new ATOM 0 HG3 GLU B 36 6.213 14.113 -6.334 1.00 0.00 H new ATOM 858 N GLY B 37 10.842 14.259 -7.920 1.00 0.00 N ATOM 859 CA GLY B 37 12.231 14.555 -8.196 1.00 0.00 C ATOM 860 C GLY B 37 13.035 13.298 -8.448 1.00 0.00 C ATOM 861 O GLY B 37 14.186 13.365 -8.870 1.00 0.00 O ATOM 0 H GLY B 37 10.273 14.078 -8.747 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.297 15.209 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY B 37 12.661 15.099 -7.355 1.00 0.00 H new ATOM 865 N LYS B 38 12.431 12.150 -8.169 1.00 0.00 N ATOM 866 CA LYS B 38 13.092 10.868 -8.369 1.00 0.00 C ATOM 867 C LYS B 38 12.390 10.086 -9.475 1.00 0.00 C ATOM 868 O LYS B 38 11.195 10.272 -9.709 1.00 0.00 O ATOM 869 CB LYS B 38 13.120 10.061 -7.062 1.00 0.00 C ATOM 870 CG LYS B 38 13.881 10.750 -5.932 1.00 0.00 C ATOM 871 CD LYS B 38 13.000 11.748 -5.191 1.00 0.00 C ATOM 872 CE LYS B 38 13.811 12.711 -4.340 1.00 0.00 C ATOM 873 NZ LYS B 38 12.942 13.731 -3.687 1.00 0.00 N ATOM 0 H LYS B 38 11.482 12.081 -7.802 1.00 0.00 H new ATOM 0 HA LYS B 38 14.123 11.049 -8.672 1.00 0.00 H new ATOM 0 HB2 LYS B 38 12.096 9.875 -6.738 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.575 9.089 -7.255 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.252 10.001 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS B 38 14.752 11.264 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.409 12.313 -5.912 1.00 0.00 H new ATOM 0 HD3 LYS B 38 12.298 11.208 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.355 12.154 -3.577 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.554 13.210 -4.962 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.501 14.583 -3.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.157 13.977 -4.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.560 13.345 -2.800 1.00 0.00 H new ATOM 887 N ASP B 39 13.134 9.223 -10.150 1.00 0.00 N ATOM 888 CA ASP B 39 12.598 8.425 -11.250 1.00 0.00 C ATOM 889 C ASP B 39 12.279 6.997 -10.819 1.00 0.00 C ATOM 890 O ASP B 39 11.504 6.298 -11.474 1.00 0.00 O ATOM 891 CB ASP B 39 13.613 8.383 -12.395 1.00 0.00 C ATOM 892 CG ASP B 39 14.867 7.610 -12.021 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.435 7.884 -10.937 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.279 6.729 -12.803 1.00 0.00 O ATOM 0 H ASP B 39 14.121 9.054 -9.955 1.00 0.00 H new ATOM 0 HA ASP B 39 11.671 8.897 -11.575 1.00 0.00 H new ATOM 0 HB2 ASP B 39 13.153 7.924 -13.270 1.00 0.00 H new ATOM 0 HB3 ASP B 39 13.885 9.401 -12.675 1.00 0.00 H new ATOM 899 N ARG B 40 12.851 6.570 -9.705 1.00 0.00 N ATOM 900 CA ARG B 40 12.646 5.212 -9.228 1.00 0.00 C ATOM 901 C ARG B 40 11.709 5.169 -8.027 1.00 0.00 C ATOM 902 O ARG B 40 11.912 5.874 -7.039 1.00 0.00 O ATOM 903 CB ARG B 40 13.990 4.584 -8.853 1.00 0.00 C ATOM 904 CG ARG B 40 13.947 3.069 -8.733 1.00 0.00 C ATOM 905 CD ARG B 40 14.643 2.588 -7.469 1.00 0.00 C ATOM 906 NE ARG B 40 13.686 2.173 -6.442 1.00 0.00 N ATOM 907 CZ ARG B 40 14.014 1.504 -5.337 1.00 0.00 C ATOM 908 NH1 ARG B 40 15.280 1.176 -5.103 1.00 0.00 N ATOM 909 NH2 ARG B 40 13.068 1.166 -4.467 1.00 0.00 N ATOM 0 H ARG B 40 13.458 7.141 -9.117 1.00 0.00 H new ATOM 0 HA ARG B 40 12.183 4.645 -10.035 1.00 0.00 H new ATOM 0 HB2 ARG B 40 14.731 4.859 -9.604 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.325 5.005 -7.905 1.00 0.00 H new ATOM 0 HG2 ARG B 40 12.910 2.733 -8.729 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.424 2.621 -9.605 1.00 0.00 H new ATOM 0 HD2 ARG B 40 15.300 1.753 -7.712 1.00 0.00 H new ATOM 0 HD3 ARG B 40 15.274 3.385 -7.076 1.00 0.00 H new ATOM 0 HE ARG B 40 12.704 2.411 -6.581 1.00 0.00 H new ATOM 0 HH11 ARG B 40 16.006 1.436 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG B 40 15.526 0.664 -4.256 1.00 0.00 H new ATOM 0 HH21 ARG B 40 12.096 1.419 -4.647 1.00 0.00 H new ATOM 0 HH22 ARG B 40 13.314 0.654 -3.620 1.00 0.00 H new ATOM 923 N PHE B 41 10.684 4.327 -8.128 1.00 0.00 N ATOM 924 CA PHE B 41 9.714 4.155 -7.054 1.00 0.00 C ATOM 925 C PHE B 41 10.408 3.578 -5.828 1.00 0.00 C ATOM 926 O PHE B 41 10.999 2.498 -5.896 1.00 0.00 O ATOM 927 CB PHE B 41 8.584 3.208 -7.485 1.00 0.00 C ATOM 928 CG PHE B 41 7.908 3.587 -8.775 1.00 0.00 C ATOM 929 CD1 PHE B 41 8.455 3.223 -9.996 1.00 0.00 C ATOM 930 CD2 PHE B 41 6.718 4.296 -8.763 1.00 0.00 C ATOM 931 CE1 PHE B 41 7.830 3.563 -11.180 1.00 0.00 C ATOM 932 CE2 PHE B 41 6.090 4.640 -9.946 1.00 0.00 C ATOM 933 CZ PHE B 41 6.646 4.272 -11.156 1.00 0.00 C ATOM 0 H PHE B 41 10.504 3.750 -8.950 1.00 0.00 H new ATOM 0 HA PHE B 41 9.286 5.129 -6.818 1.00 0.00 H new ATOM 0 HB2 PHE B 41 8.989 2.201 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.835 3.173 -6.694 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.381 2.667 -10.022 1.00 0.00 H new ATOM 0 HD2 PHE B 41 6.276 4.583 -7.820 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.268 3.274 -12.124 1.00 0.00 H new ATOM 0 HE2 PHE B 41 5.165 5.196 -9.924 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.156 4.538 -12.081 1.00 0.00 H new ATOM 943 N THR B 42 10.350 4.289 -4.719 1.00 0.00 N ATOM 944 CA THR B 42 10.982 3.831 -3.496 1.00 0.00 C ATOM 945 C THR B 42 10.069 2.877 -2.739 1.00 0.00 C ATOM 946 O THR B 42 10.529 1.922 -2.114 1.00 0.00 O ATOM 947 CB THR B 42 11.350 5.018 -2.594 1.00 0.00 C ATOM 948 OG1 THR B 42 10.403 6.077 -2.783 1.00 0.00 O ATOM 949 CG2 THR B 42 12.753 5.521 -2.905 1.00 0.00 C ATOM 0 H THR B 42 9.872 5.186 -4.639 1.00 0.00 H new ATOM 0 HA THR B 42 11.894 3.302 -3.773 1.00 0.00 H new ATOM 0 HB THR B 42 11.326 4.685 -1.556 1.00 0.00 H new ATOM 0 HG1 THR B 42 9.619 5.919 -2.217 1.00 0.00 H new ATOM 0 HG21 THR B 42 12.991 6.362 -2.253 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.472 4.719 -2.739 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.802 5.843 -3.945 1.00 0.00 H new ATOM 957 N ILE B 43 8.773 3.133 -2.824 1.00 0.00 N ATOM 958 CA ILE B 43 7.783 2.312 -2.150 1.00 0.00 C ATOM 959 C ILE B 43 7.261 1.221 -3.075 1.00 0.00 C ATOM 960 O ILE B 43 6.768 1.507 -4.166 1.00 0.00 O ATOM 961 CB ILE B 43 6.598 3.168 -1.654 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.031 4.057 -0.485 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.415 2.295 -1.257 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.531 3.285 0.716 1.00 0.00 C ATOM 0 H ILE B 43 8.381 3.909 -3.358 1.00 0.00 H new ATOM 0 HA ILE B 43 8.273 1.851 -1.292 1.00 0.00 H new ATOM 0 HB ILE B 43 6.278 3.808 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.817 4.731 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.188 4.678 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.596 2.927 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.087 1.714 -2.118 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.714 1.619 -0.456 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.819 3.982 1.503 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.740 2.631 1.083 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.394 2.685 0.429 1.00 0.00 H new ATOM 976 N SER B 44 7.402 -0.022 -2.643 1.00 0.00 N ATOM 977 CA SER B 44 6.928 -1.157 -3.408 1.00 0.00 C ATOM 978 C SER B 44 6.486 -2.266 -2.464 1.00 0.00 C ATOM 979 O SER B 44 7.313 -2.992 -1.912 1.00 0.00 O ATOM 980 CB SER B 44 8.023 -1.659 -4.357 1.00 0.00 C ATOM 981 OG SER B 44 7.559 -2.734 -5.158 1.00 0.00 O ATOM 0 H SER B 44 7.845 -0.268 -1.758 1.00 0.00 H new ATOM 0 HA SER B 44 6.074 -0.847 -4.010 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.354 -0.842 -4.998 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.889 -1.981 -3.778 1.00 0.00 H new ATOM 0 HG SER B 44 8.278 -3.032 -5.754 1.00 0.00 H new ATOM 987 N HIS B 45 5.182 -2.381 -2.270 1.00 0.00 N ATOM 988 CA HIS B 45 4.625 -3.407 -1.399 1.00 0.00 C ATOM 989 C HIS B 45 3.564 -4.180 -2.156 1.00 0.00 C ATOM 990 O HIS B 45 2.797 -3.595 -2.919 1.00 0.00 O ATOM 991 CB HIS B 45 3.993 -2.796 -0.140 1.00 0.00 C ATOM 992 CG HIS B 45 4.879 -1.851 0.610 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.891 -2.246 1.457 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.885 -0.496 0.625 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.469 -1.142 1.948 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.896 -0.053 1.472 1.00 0.00 N ATOM 0 H HIS B 45 4.486 -1.775 -2.705 1.00 0.00 H new ATOM 0 HA HIS B 45 5.436 -4.066 -1.090 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.083 -2.269 -0.426 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.697 -3.603 0.530 1.00 0.00 H new ATOM 0 HD1 HIS B 45 6.153 -3.208 1.672 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.212 0.139 0.068 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.296 -1.143 2.643 1.00 0.00 H new ATOM 1004 N MET B 46 3.513 -5.482 -1.964 1.00 0.00 N ATOM 1005 CA MET B 46 2.517 -6.283 -2.640 1.00 0.00 C ATOM 1006 C MET B 46 1.289 -6.402 -1.763 1.00 0.00 C ATOM 1007 O MET B 46 1.394 -6.454 -0.541 1.00 0.00 O ATOM 1008 CB MET B 46 3.064 -7.667 -3.001 1.00 0.00 C ATOM 1009 CG MET B 46 3.917 -7.664 -4.259 1.00 0.00 C ATOM 1010 SD MET B 46 4.102 -9.302 -4.994 1.00 0.00 S ATOM 1011 CE MET B 46 2.389 -9.787 -5.199 1.00 0.00 C ATOM 0 H MET B 46 4.142 -6.002 -1.353 1.00 0.00 H new ATOM 0 HA MET B 46 2.247 -5.790 -3.574 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.657 -8.045 -2.168 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.230 -8.356 -3.137 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.470 -6.992 -4.992 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.903 -7.266 -4.021 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.288 -10.393 -6.099 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.069 -10.367 -4.333 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.767 -8.896 -5.289 1.00 0.00 H new ATOM 1021 N TYR B 47 0.124 -6.428 -2.387 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.139 -6.534 -1.655 1.00 0.00 C ATOM 1023 C TYR B 47 -1.188 -7.825 -0.840 1.00 0.00 C ATOM 1024 O TYR B 47 -1.942 -7.934 0.124 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.301 -6.476 -2.639 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.365 -5.177 -3.410 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -1.866 -4.000 -2.867 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.923 -5.126 -4.676 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -1.921 -2.813 -3.566 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.983 -3.944 -5.379 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.481 -2.789 -4.820 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.534 -1.611 -5.525 1.00 0.00 O ATOM 0 H TYR B 47 0.020 -6.377 -3.400 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.217 -5.699 -0.959 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.215 -7.304 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.236 -6.615 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.427 -4.015 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.318 -6.028 -5.119 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.526 -1.907 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.422 -3.922 -6.365 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.377 -1.791 -6.475 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.350 -8.781 -1.218 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.281 -10.064 -0.534 1.00 0.00 C ATOM 1044 C ALA B 48 0.325 -9.920 0.858 1.00 0.00 C ATOM 1045 O ALA B 48 0.106 -10.770 1.713 1.00 0.00 O ATOM 1046 CB ALA B 48 0.526 -11.054 -1.360 1.00 0.00 C ATOM 0 H ALA B 48 0.296 -8.690 -2.002 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.298 -10.439 -0.418 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.571 -12.010 -0.839 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.050 -11.192 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.536 -10.670 -1.503 1.00 0.00 H new ATOM 1052 N ASP B 49 1.078 -8.839 1.073 1.00 0.00 N ATOM 1053 CA ASP B 49 1.718 -8.579 2.355 1.00 0.00 C ATOM 1054 C ASP B 49 0.935 -7.541 3.143 1.00 0.00 C ATOM 1055 O ASP B 49 1.185 -7.324 4.333 1.00 0.00 O ATOM 1056 CB ASP B 49 3.127 -8.039 2.179 1.00 0.00 C ATOM 1057 CG ASP B 49 3.827 -8.510 0.916 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.115 -9.718 0.801 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.099 -7.656 0.035 1.00 0.00 O ATOM 0 H ASP B 49 1.258 -8.126 0.366 1.00 0.00 H new ATOM 0 HA ASP B 49 1.748 -9.531 2.884 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.087 -6.950 2.173 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.725 -8.331 3.042 1.00 0.00 H new ATOM 1064 N ILE B 50 -0.011 -6.894 2.489 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.811 -5.887 3.158 1.00 0.00 C ATOM 1066 C ILE B 50 -2.017 -6.571 3.790 1.00 0.00 C ATOM 1067 O ILE B 50 -2.765 -7.277 3.111 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.304 -4.778 2.200 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.297 -4.517 1.070 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.583 -3.497 2.971 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.924 -3.725 1.485 1.00 0.00 C ATOM 0 H ILE B 50 -0.242 -7.045 1.507 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.182 -5.407 3.908 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.231 -5.124 1.742 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.028 -5.474 0.663 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -0.804 -3.984 0.266 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -1.929 -2.726 2.283 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.351 -3.684 3.722 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.669 -3.161 3.462 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.579 -3.589 0.624 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.614 -2.751 1.863 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.459 -4.264 2.267 1.00 0.00 H new ATOM 1083 N LYS B 51 -2.208 -6.366 5.077 1.00 0.00 N ATOM 1084 CA LYS B 51 -3.304 -6.990 5.789 1.00 0.00 C ATOM 1085 C LYS B 51 -4.553 -6.140 5.662 1.00 0.00 C ATOM 1086 O LYS B 51 -5.655 -6.655 5.506 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.928 -7.182 7.260 1.00 0.00 C ATOM 1088 CG LYS B 51 -4.051 -7.721 8.125 1.00 0.00 C ATOM 1089 CD LYS B 51 -4.583 -6.645 9.048 1.00 0.00 C ATOM 1090 CE LYS B 51 -5.981 -6.976 9.550 1.00 0.00 C ATOM 1091 NZ LYS B 51 -6.708 -5.779 10.065 1.00 0.00 N ATOM 0 H LYS B 51 -1.615 -5.769 5.654 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.506 -7.968 5.353 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.079 -7.863 7.320 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.598 -6.226 7.667 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.856 -8.094 7.492 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.690 -8.565 8.713 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.910 -6.528 9.897 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -4.602 -5.691 8.522 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -6.556 -7.424 8.740 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.911 -7.722 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.720 -6.000 10.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.327 -5.516 10.996 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.584 -4.986 9.404 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.357 -4.837 5.704 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.445 -3.893 5.612 1.00 0.00 C ATOM 1107 C CYS B 52 -4.875 -2.504 5.432 1.00 0.00 C ATOM 1108 O CYS B 52 -3.656 -2.336 5.340 1.00 0.00 O ATOM 1109 CB CYS B 52 -6.295 -3.946 6.875 1.00 0.00 C ATOM 1110 SG CYS B 52 -5.407 -3.523 8.392 1.00 0.00 S ATOM 0 H CYS B 52 -3.438 -4.406 5.803 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.076 -4.146 4.760 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -7.138 -3.264 6.760 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.708 -4.949 6.978 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.256 -3.142 9.300 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.729 -1.509 5.374 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.254 -0.157 5.223 1.00 0.00 C ATOM 1118 C GLN B 53 -5.986 0.784 6.179 1.00 0.00 C ATOM 1119 O GLN B 53 -7.177 0.618 6.430 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.411 0.317 3.774 1.00 0.00 C ATOM 1121 CG GLN B 53 -6.794 0.867 3.418 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.863 -0.204 3.270 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -9.015 0.000 3.655 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -7.502 -1.331 2.676 1.00 0.00 N ATOM 0 H GLN B 53 -6.743 -1.609 5.428 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.193 -0.142 5.473 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.668 1.090 3.578 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.186 -0.517 3.109 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.104 1.572 4.190 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -6.723 1.427 2.485 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -6.537 -1.461 2.372 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.189 -2.069 2.523 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.269 1.750 6.739 1.00 0.00 N ATOM 1134 CA LYS B 54 -5.899 2.722 7.619 1.00 0.00 C ATOM 1135 C LYS B 54 -6.087 4.012 6.850 1.00 0.00 C ATOM 1136 O LYS B 54 -5.273 4.342 5.991 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.062 3.072 8.857 1.00 0.00 C ATOM 1138 CG LYS B 54 -4.981 2.045 9.965 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.573 2.766 11.244 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.183 1.840 12.389 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.345 0.693 11.942 1.00 0.00 N ATOM 0 H LYS B 54 -4.267 1.880 6.602 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.833 2.271 7.954 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.046 3.288 8.525 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.461 3.993 9.282 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -5.943 1.549 10.097 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.255 1.271 9.715 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.733 3.425 11.023 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.398 3.399 11.569 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.639 2.410 13.142 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.086 1.460 12.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -2.746 0.373 12.730 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -3.960 -0.088 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.743 0.991 11.148 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.146 4.739 7.137 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.363 6.015 6.486 1.00 0.00 C ATOM 1157 C ILE B 55 -7.574 7.068 7.564 1.00 0.00 C ATOM 1158 O ILE B 55 -8.372 6.876 8.480 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.542 5.999 5.467 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -9.881 6.385 6.098 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.666 4.627 4.824 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.841 7.007 5.103 1.00 0.00 C ATOM 0 H ILE B 55 -7.864 4.472 7.810 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.481 6.250 5.890 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.307 6.750 4.712 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.341 5.498 6.534 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.705 7.087 6.913 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.494 4.631 4.115 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.741 4.385 4.301 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.853 3.879 5.595 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.774 7.260 5.607 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.397 7.911 4.685 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.043 6.298 4.300 1.00 0.00 H new ATOM 1174 N SER B 56 -6.811 8.144 7.512 1.00 0.00 N ATOM 1175 CA SER B 56 -6.950 9.180 8.508 1.00 0.00 C ATOM 1176 C SER B 56 -7.988 10.178 8.024 1.00 0.00 C ATOM 1177 O SER B 56 -7.829 10.801 6.953 1.00 0.00 O ATOM 1178 CB SER B 56 -5.611 9.847 8.827 1.00 0.00 C ATOM 1179 OG SER B 56 -5.368 10.973 8.015 1.00 0.00 O ATOM 0 H SER B 56 -6.101 8.319 6.801 1.00 0.00 H new ATOM 0 HA SER B 56 -7.288 8.740 9.446 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.598 10.148 9.875 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.806 9.124 8.692 1.00 0.00 H new ATOM 0 HG SER B 56 -4.552 11.424 8.317 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.066 10.289 8.815 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.231 11.141 8.540 1.00 0.00 C ATOM 1187 C PRO B 57 -9.958 12.634 8.625 1.00 0.00 C ATOM 1188 O PRO B 57 -8.867 13.077 9.000 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.222 10.738 9.637 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.361 10.274 10.755 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.213 9.576 10.099 1.00 0.00 C ATOM 0 HA PRO B 57 -10.578 10.993 7.518 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -11.846 11.579 9.938 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.893 9.949 9.297 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.018 11.112 11.362 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.905 9.601 11.418 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.306 9.641 10.701 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.420 8.516 9.949 1.00 0.00 H new ATOM 1199 N GLU B 58 -10.971 13.394 8.235 1.00 0.00 N ATOM 1200 CA GLU B 58 -10.931 14.842 8.260 1.00 0.00 C ATOM 1201 C GLU B 58 -10.742 15.344 9.688 1.00 0.00 C ATOM 1202 O GLU B 58 -11.014 14.631 10.655 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.219 15.419 7.656 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.344 15.213 6.149 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.341 13.748 5.747 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -11.659 13.399 4.763 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -12.991 12.939 6.438 1.00 0.00 O ATOM 0 H GLU B 58 -11.852 13.014 7.889 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.084 15.178 7.661 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.076 14.959 8.148 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.263 16.487 7.871 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.266 15.678 5.800 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.521 15.723 5.649 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.297 16.578 9.809 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.034 17.160 11.109 1.00 0.00 C ATOM 1216 C GLY B 59 -8.557 17.413 11.260 1.00 0.00 C ATOM 1217 O GLY B 59 -8.133 18.332 11.959 1.00 0.00 O ATOM 0 H GLY B 59 -10.110 17.198 9.021 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.586 18.093 11.219 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.381 16.490 11.896 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.777 16.589 10.578 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.337 16.731 10.559 1.00 0.00 C ATOM 1223 C LYS B 60 -5.970 17.678 9.439 1.00 0.00 C ATOM 1224 O LYS B 60 -6.701 17.796 8.454 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.648 15.378 10.335 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.329 14.623 11.613 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.520 13.360 11.329 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.971 12.740 12.606 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.731 13.160 13.814 1.00 0.00 N ATOM 0 H LYS B 60 -8.127 15.807 10.025 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.003 17.120 11.521 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.288 14.756 9.709 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.723 15.541 9.782 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.770 15.270 12.289 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.256 14.356 12.120 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.149 12.634 10.814 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.695 13.600 10.658 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.001 11.654 12.521 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.925 13.022 12.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.495 12.532 14.609 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.479 14.139 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.751 13.103 13.620 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.850 18.356 9.588 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.387 19.285 8.571 1.00 0.00 C ATOM 1245 C ALA B 61 -3.954 18.540 7.330 1.00 0.00 C ATOM 1246 O ALA B 61 -3.709 19.135 6.283 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.233 20.099 9.100 1.00 0.00 C ATOM 0 H ALA B 61 -4.242 18.283 10.403 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.211 19.951 8.313 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.893 20.792 8.330 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.555 20.660 9.977 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.415 19.434 9.376 1.00 0.00 H new ATOM 1253 N LYS B 62 -3.850 17.235 7.459 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.447 16.409 6.358 1.00 0.00 C ATOM 1255 C LYS B 62 -4.257 15.122 6.328 1.00 0.00 C ATOM 1256 O LYS B 62 -4.523 14.519 7.369 1.00 0.00 O ATOM 1257 CB LYS B 62 -1.956 16.081 6.442 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.522 15.513 7.786 1.00 0.00 C ATOM 1259 CD LYS B 62 -0.885 16.578 8.663 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.437 15.999 9.992 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.126 17.040 10.893 1.00 0.00 N ATOM 0 H LYS B 62 -4.042 16.728 8.323 1.00 0.00 H new ATOM 0 HA LYS B 62 -3.632 16.964 5.438 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -1.707 15.365 5.659 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.383 16.986 6.240 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.385 15.088 8.298 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.813 14.700 7.627 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.030 17.014 8.147 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.598 17.384 8.836 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -1.283 15.516 10.481 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.313 15.227 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.122 16.821 11.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 0.064 17.970 10.431 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.414 17.059 11.782 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.662 14.727 5.138 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.406 13.496 4.950 1.00 0.00 C ATOM 1277 C ILE B 63 -4.396 12.363 4.876 1.00 0.00 C ATOM 1278 O ILE B 63 -3.334 12.543 4.294 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.249 13.559 3.658 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.401 14.551 3.828 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -6.786 12.188 3.283 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.111 15.938 3.292 1.00 0.00 C ATOM 0 H ILE B 63 -4.486 15.246 4.278 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.098 13.338 5.778 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.602 13.899 2.849 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.283 14.156 3.324 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -7.647 14.627 4.887 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.375 12.265 2.369 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -5.954 11.503 3.121 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.415 11.811 4.089 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -7.978 16.579 3.452 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.250 16.357 3.813 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -6.896 15.878 2.225 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.670 11.208 5.464 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.662 10.148 5.426 1.00 0.00 C ATOM 1296 C GLN B 64 -4.229 8.766 5.201 1.00 0.00 C ATOM 1297 O GLN B 64 -5.423 8.521 5.336 1.00 0.00 O ATOM 1298 CB GLN B 64 -2.845 10.108 6.714 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.158 11.407 7.075 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.521 11.337 8.442 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -0.536 12.022 8.714 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.078 10.495 9.312 1.00 0.00 N ATOM 0 H GLN B 64 -5.537 10.982 5.952 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.036 10.405 4.572 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.502 9.822 7.535 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.089 9.328 6.623 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.397 11.636 6.329 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.882 12.221 7.052 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.895 9.948 9.041 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -1.688 10.398 10.249 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.332 7.883 4.815 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.627 6.489 4.600 1.00 0.00 C ATOM 1313 C LEU B 65 -2.431 5.686 5.087 1.00 0.00 C ATOM 1314 O LEU B 65 -1.338 6.222 5.142 1.00 0.00 O ATOM 1315 CB LEU B 65 -3.821 6.196 3.123 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.654 4.960 2.817 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.112 5.332 2.665 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.133 4.258 1.583 1.00 0.00 C ATOM 0 H LEU B 65 -2.357 8.124 4.639 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.541 6.228 5.133 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.294 7.060 2.656 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.841 6.080 2.659 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.570 4.266 3.653 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.695 4.437 2.446 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.471 5.782 3.591 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.222 6.045 1.848 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.742 3.377 1.381 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.182 4.936 0.731 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.099 3.955 1.746 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.616 4.446 5.488 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.477 3.650 5.916 1.00 0.00 C ATOM 1332 C GLN B 66 -1.685 2.190 5.548 1.00 0.00 C ATOM 1333 O GLN B 66 -2.806 1.687 5.565 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.206 3.804 7.421 1.00 0.00 C ATOM 1335 CG GLN B 66 -1.915 2.790 8.296 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.470 2.839 9.746 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.441 1.817 10.427 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.148 4.021 10.239 1.00 0.00 N ATOM 0 H GLN B 66 -3.519 3.973 5.528 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.596 4.021 5.392 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.133 3.726 7.594 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.507 4.805 7.731 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -2.990 2.965 8.246 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.736 1.790 7.901 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.184 4.849 9.644 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.864 4.106 11.215 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.601 1.532 5.199 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.632 0.136 4.822 1.00 0.00 C ATOM 1349 C LEU B 67 -0.333 -0.737 6.022 1.00 0.00 C ATOM 1350 O LEU B 67 0.812 -0.835 6.454 1.00 0.00 O ATOM 1351 CB LEU B 67 0.407 -0.147 3.742 1.00 0.00 C ATOM 1352 CG LEU B 67 0.205 0.579 2.416 1.00 0.00 C ATOM 1353 CD1 LEU B 67 1.374 0.290 1.490 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.109 0.162 1.772 1.00 0.00 C ATOM 0 H LEU B 67 0.328 1.951 5.169 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.628 -0.089 4.440 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.390 0.117 4.133 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.419 -1.220 3.549 1.00 0.00 H new ATOM 0 HG LEU B 67 0.161 1.652 2.602 1.00 0.00 H new ATOM 0 HD11 LEU B 67 1.226 0.810 0.544 1.00 0.00 H new ATOM 0 HD12 LEU B 67 2.299 0.635 1.953 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.437 -0.783 1.308 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.235 0.691 0.827 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.099 -0.912 1.588 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -1.935 0.409 2.439 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.354 -1.356 6.564 1.00 0.00 N ATOM 1367 CA VAL B 68 -1.178 -2.227 7.706 1.00 0.00 C ATOM 1368 C VAL B 68 -0.885 -3.628 7.213 1.00 0.00 C ATOM 1369 O VAL B 68 -1.679 -4.217 6.489 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.421 -2.234 8.603 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -2.178 -3.080 9.837 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.795 -0.815 8.985 1.00 0.00 C ATOM 0 H VAL B 68 -2.316 -1.274 6.235 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.345 -1.857 8.303 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.252 -2.673 8.051 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.070 -3.075 10.463 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.951 -4.103 9.538 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.338 -2.671 10.399 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.679 -0.831 9.622 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.968 -0.353 9.524 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.007 -0.240 8.084 1.00 0.00 H new ATOM 1382 N LEU B 69 0.261 -4.155 7.589 1.00 0.00 N ATOM 1383 CA LEU B 69 0.668 -5.472 7.142 1.00 0.00 C ATOM 1384 C LEU B 69 0.455 -6.522 8.216 1.00 0.00 C ATOM 1385 O LEU B 69 0.507 -6.230 9.409 1.00 0.00 O ATOM 1386 CB LEU B 69 2.138 -5.444 6.738 1.00 0.00 C ATOM 1387 CG LEU B 69 2.570 -4.176 6.008 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.039 -4.227 5.672 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.761 -3.987 4.745 1.00 0.00 C ATOM 0 H LEU B 69 0.929 -3.691 8.204 1.00 0.00 H new ATOM 0 HA LEU B 69 0.049 -5.740 6.286 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.750 -5.559 7.633 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.343 -6.303 6.099 1.00 0.00 H new ATOM 0 HG LEU B 69 2.392 -3.330 6.671 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.325 -3.313 5.152 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.619 -4.319 6.590 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.236 -5.086 5.031 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.084 -3.077 4.239 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.911 -4.842 4.086 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.704 -3.905 4.999 1.00 0.00 H new ATOM 1401 N HIS B 70 0.230 -7.756 7.778 1.00 0.00 N ATOM 1402 CA HIS B 70 0.037 -8.875 8.696 1.00 0.00 C ATOM 1403 C HIS B 70 1.387 -9.267 9.277 1.00 0.00 C ATOM 1404 O HIS B 70 1.486 -10.091 10.181 1.00 0.00 O ATOM 1405 CB HIS B 70 -0.602 -10.083 7.990 1.00 0.00 C ATOM 1406 CG HIS B 70 -0.422 -10.083 6.503 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -1.397 -9.678 5.621 1.00 0.00 N ATOM 1408 CD2 HIS B 70 0.660 -10.394 5.740 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.880 -9.745 4.393 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.352 -10.182 4.419 1.00 0.00 N ATOM 0 H HIS B 70 0.177 -8.008 6.791 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.642 -8.564 9.490 1.00 0.00 H new ATOM 0 HB2 HIS B 70 -0.173 -10.998 8.398 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.668 -10.102 8.217 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -2.343 -9.381 5.862 1.00 0.00 H new ATOM 0 HD2 HIS B 70 1.609 -10.750 6.113 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.411 -9.473 3.493 1.00 0.00 H new ATOM 1418 N ALA B 71 2.422 -8.646 8.727 1.00 0.00 N ATOM 1419 CA ALA B 71 3.794 -8.871 9.141 1.00 0.00 C ATOM 1420 C ALA B 71 4.095 -8.140 10.448 1.00 0.00 C ATOM 1421 O ALA B 71 5.178 -8.279 11.011 1.00 0.00 O ATOM 1422 CB ALA B 71 4.730 -8.393 8.039 1.00 0.00 C ATOM 0 H ALA B 71 2.328 -7.965 7.973 1.00 0.00 H new ATOM 0 HA ALA B 71 3.945 -9.937 9.314 1.00 0.00 H new ATOM 0 HB1 ALA B 71 5.764 -8.559 8.342 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.527 -8.948 7.123 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.570 -7.330 7.862 1.00 0.00 H new ATOM 1428 N GLY B 72 3.124 -7.365 10.922 1.00 0.00 N ATOM 1429 CA GLY B 72 3.306 -6.612 12.146 1.00 0.00 C ATOM 1430 C GLY B 72 3.930 -5.263 11.872 1.00 0.00 C ATOM 1431 O GLY B 72 4.508 -4.640 12.761 1.00 0.00 O ATOM 0 H GLY B 72 2.213 -7.246 10.478 1.00 0.00 H new ATOM 0 HA2 GLY B 72 2.343 -6.477 12.639 1.00 0.00 H new ATOM 0 HA3 GLY B 72 3.939 -7.175 12.832 1.00 0.00 H new ATOM 1435 N ASP B 73 3.794 -4.814 10.633 1.00 0.00 N ATOM 1436 CA ASP B 73 4.354 -3.539 10.203 1.00 0.00 C ATOM 1437 C ASP B 73 3.269 -2.672 9.575 1.00 0.00 C ATOM 1438 O ASP B 73 2.218 -3.178 9.178 1.00 0.00 O ATOM 1439 CB ASP B 73 5.496 -3.781 9.207 1.00 0.00 C ATOM 1440 CG ASP B 73 6.103 -2.494 8.685 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.325 -2.395 7.461 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.342 -1.578 9.499 1.00 0.00 O ATOM 0 H ASP B 73 3.296 -5.319 9.900 1.00 0.00 H new ATOM 0 HA ASP B 73 4.753 -3.014 11.071 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.273 -4.374 9.689 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.122 -4.367 8.368 1.00 0.00 H new ATOM 1447 N THR B 74 3.518 -1.373 9.495 1.00 0.00 N ATOM 1448 CA THR B 74 2.565 -0.437 8.925 1.00 0.00 C ATOM 1449 C THR B 74 3.298 0.651 8.129 1.00 0.00 C ATOM 1450 O THR B 74 4.255 1.243 8.619 1.00 0.00 O ATOM 1451 CB THR B 74 1.725 0.235 10.033 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.575 0.648 11.110 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.661 -0.711 10.568 1.00 0.00 C ATOM 0 H THR B 74 4.382 -0.942 9.822 1.00 0.00 H new ATOM 0 HA THR B 74 1.904 -0.997 8.263 1.00 0.00 H new ATOM 0 HB THR B 74 1.231 1.103 9.597 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.356 1.118 10.749 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.086 -0.209 11.346 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.006 -1.005 9.757 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.139 -1.598 10.984 1.00 0.00 H new ATOM 1461 N THR B 75 2.844 0.909 6.911 1.00 0.00 N ATOM 1462 CA THR B 75 3.450 1.924 6.051 1.00 0.00 C ATOM 1463 C THR B 75 2.502 3.113 5.878 1.00 0.00 C ATOM 1464 O THR B 75 1.512 3.012 5.160 1.00 0.00 O ATOM 1465 CB THR B 75 3.772 1.325 4.667 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.485 0.092 4.826 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.593 2.291 3.822 1.00 0.00 C ATOM 0 H THR B 75 2.050 0.426 6.490 1.00 0.00 H new ATOM 0 HA THR B 75 4.371 2.266 6.523 1.00 0.00 H new ATOM 0 HB THR B 75 2.830 1.140 4.150 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.686 -0.286 3.944 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.803 1.839 2.853 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.033 3.215 3.677 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.532 2.512 4.330 1.00 0.00 H new ATOM 1475 N ASN B 76 2.802 4.243 6.506 1.00 0.00 N ATOM 1476 CA ASN B 76 1.915 5.405 6.414 1.00 0.00 C ATOM 1477 C ASN B 76 2.143 6.207 5.140 1.00 0.00 C ATOM 1478 O ASN B 76 3.235 6.218 4.584 1.00 0.00 O ATOM 1479 CB ASN B 76 2.081 6.320 7.626 1.00 0.00 C ATOM 1480 CG ASN B 76 1.523 5.720 8.901 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.415 4.503 9.037 1.00 0.00 O ATOM 1482 ND2 ASN B 76 1.156 6.572 9.839 1.00 0.00 N ATOM 0 H ASN B 76 3.636 4.383 7.076 1.00 0.00 H new ATOM 0 HA ASN B 76 0.898 5.014 6.391 1.00 0.00 H new ATOM 0 HB2 ASN B 76 3.139 6.539 7.767 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.583 7.269 7.429 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.766 6.228 10.716 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.262 7.575 9.687 1.00 0.00 H new ATOM 1489 N PHE B 77 1.078 6.855 4.686 1.00 0.00 N ATOM 1490 CA PHE B 77 1.090 7.688 3.494 1.00 0.00 C ATOM 1491 C PHE B 77 0.360 8.997 3.777 1.00 0.00 C ATOM 1492 O PHE B 77 -0.845 9.010 4.041 1.00 0.00 O ATOM 1493 CB PHE B 77 0.421 6.968 2.320 1.00 0.00 C ATOM 1494 CG PHE B 77 1.317 5.988 1.622 1.00 0.00 C ATOM 1495 CD1 PHE B 77 1.239 4.635 1.900 1.00 0.00 C ATOM 1496 CD2 PHE B 77 2.235 6.425 0.683 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.062 3.735 1.253 1.00 0.00 C ATOM 1498 CE2 PHE B 77 3.059 5.531 0.033 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.973 4.183 0.318 1.00 0.00 C ATOM 0 H PHE B 77 0.168 6.815 5.144 1.00 0.00 H new ATOM 0 HA PHE B 77 2.126 7.895 3.227 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.463 6.443 2.683 1.00 0.00 H new ATOM 0 HB3 PHE B 77 0.077 7.710 1.599 1.00 0.00 H new ATOM 0 HD1 PHE B 77 0.527 4.279 2.630 1.00 0.00 H new ATOM 0 HD2 PHE B 77 2.307 7.479 0.457 1.00 0.00 H new ATOM 0 HE1 PHE B 77 1.993 2.681 1.478 1.00 0.00 H new ATOM 0 HE2 PHE B 77 3.771 5.885 -0.698 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.617 3.480 -0.190 1.00 0.00 H new ATOM 1509 N HIS B 78 1.101 10.083 3.723 1.00 0.00 N ATOM 1510 CA HIS B 78 0.576 11.415 3.986 1.00 0.00 C ATOM 1511 C HIS B 78 0.000 12.038 2.708 1.00 0.00 C ATOM 1512 O HIS B 78 0.738 12.526 1.857 1.00 0.00 O ATOM 1513 CB HIS B 78 1.733 12.252 4.554 1.00 0.00 C ATOM 1514 CG HIS B 78 1.426 13.673 4.931 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.823 14.230 6.126 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.845 14.678 4.226 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.490 15.524 6.110 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.895 15.850 4.978 1.00 0.00 N ATOM 0 H HIS B 78 2.095 10.071 3.494 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.245 11.375 4.702 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.118 11.743 5.438 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.536 12.263 3.818 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.413 14.584 3.240 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.683 16.214 6.919 1.00 0.00 H new ATOM 0 HE2 HIS B 78 0.544 16.769 4.709 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.318 12.005 2.574 1.00 0.00 N ATOM 1527 CA PHE B 79 -1.993 12.578 1.410 1.00 0.00 C ATOM 1528 C PHE B 79 -2.043 14.100 1.547 1.00 0.00 C ATOM 1529 O PHE B 79 -2.871 14.640 2.282 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.420 12.034 1.293 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.531 10.695 0.622 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -4.054 10.599 -0.653 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.137 9.533 1.267 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -4.186 9.375 -1.274 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -3.263 8.304 0.646 1.00 0.00 C ATOM 1536 CZ PHE B 79 -3.792 8.225 -0.628 1.00 0.00 C ATOM 0 H PHE B 79 -1.947 11.586 3.259 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.436 12.303 0.514 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -3.849 11.960 2.292 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.024 12.753 0.739 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -4.364 11.495 -1.170 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.727 9.588 2.265 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.600 9.318 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -2.948 7.406 1.157 1.00 0.00 H new ATOM 0 HZ PHE B 79 -3.896 7.266 -1.114 1.00 0.00 H new ATOM 1546 N SER B 80 -1.169 14.792 0.837 1.00 0.00 N ATOM 1547 CA SER B 80 -1.106 16.244 0.924 1.00 0.00 C ATOM 1548 C SER B 80 -1.581 16.937 -0.354 1.00 0.00 C ATOM 1549 O SER B 80 -1.226 18.088 -0.605 1.00 0.00 O ATOM 1550 CB SER B 80 0.324 16.668 1.256 1.00 0.00 C ATOM 1551 OG SER B 80 1.265 15.737 0.742 1.00 0.00 O ATOM 0 H SER B 80 -0.494 14.375 0.195 1.00 0.00 H new ATOM 0 HA SER B 80 -1.786 16.556 1.717 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.520 17.656 0.839 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.441 16.749 2.337 1.00 0.00 H new ATOM 0 HG SER B 80 0.967 15.423 -0.137 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.379 16.252 -1.160 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.885 16.852 -2.389 1.00 0.00 C ATOM 1559 C ASN B 81 -4.202 17.574 -2.122 1.00 0.00 C ATOM 1560 O ASN B 81 -5.272 16.972 -2.114 1.00 0.00 O ATOM 1561 CB ASN B 81 -3.048 15.810 -3.496 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.168 16.447 -4.872 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.656 15.827 -5.816 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.722 17.689 -5.001 1.00 0.00 N ATOM 0 H ASN B 81 -2.687 15.295 -0.991 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.152 17.581 -2.735 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.194 15.133 -3.484 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.935 15.208 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -2.778 18.160 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.323 18.174 -4.197 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.094 18.877 -1.924 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.226 19.758 -1.621 1.00 0.00 C ATOM 1573 C GLU B 82 -6.441 19.547 -2.538 1.00 0.00 C ATOM 1574 O GLU B 82 -7.583 19.742 -2.117 1.00 0.00 O ATOM 1575 CB GLU B 82 -4.758 21.223 -1.689 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.414 21.737 -3.093 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.477 20.822 -3.870 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -2.379 20.510 -3.362 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -3.858 20.388 -4.978 1.00 0.00 O ATOM 0 H GLU B 82 -3.202 19.369 -1.969 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.564 19.505 -0.616 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -5.539 21.857 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -3.880 21.337 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.336 21.863 -3.660 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -3.956 22.722 -3.007 1.00 0.00 H new ATOM 1586 N SER B 83 -6.200 19.140 -3.772 1.00 0.00 N ATOM 1587 CA SER B 83 -7.269 18.938 -4.734 1.00 0.00 C ATOM 1588 C SER B 83 -8.089 17.675 -4.481 1.00 0.00 C ATOM 1589 O SER B 83 -9.308 17.747 -4.275 1.00 0.00 O ATOM 1590 CB SER B 83 -6.685 18.910 -6.147 1.00 0.00 C ATOM 1591 OG SER B 83 -5.313 18.555 -6.119 1.00 0.00 O ATOM 0 H SER B 83 -5.267 18.942 -4.133 1.00 0.00 H new ATOM 0 HA SER B 83 -7.958 19.775 -4.620 1.00 0.00 H new ATOM 0 HB2 SER B 83 -7.237 18.197 -6.759 1.00 0.00 H new ATOM 0 HB3 SER B 83 -6.802 19.888 -6.613 1.00 0.00 H new ATOM 0 HG SER B 83 -4.767 19.366 -6.054 1.00 0.00 H new ATOM 1597 N THR B 84 -7.454 16.516 -4.495 1.00 0.00 N ATOM 1598 CA THR B 84 -8.204 15.282 -4.348 1.00 0.00 C ATOM 1599 C THR B 84 -7.713 14.332 -3.251 1.00 0.00 C ATOM 1600 O THR B 84 -8.204 13.218 -3.185 1.00 0.00 O ATOM 1601 CB THR B 84 -8.226 14.558 -5.703 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.898 14.487 -6.244 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.120 15.315 -6.674 1.00 0.00 C ATOM 0 H THR B 84 -6.446 16.404 -4.604 1.00 0.00 H new ATOM 0 HA THR B 84 -9.203 15.575 -4.024 1.00 0.00 H new ATOM 0 HB THR B 84 -8.612 13.549 -5.557 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.254 14.365 -5.515 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.133 14.799 -7.634 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.133 15.364 -6.274 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.735 16.326 -6.811 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.807 14.774 -2.376 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.259 13.906 -1.310 1.00 0.00 C ATOM 1613 C ALA B 85 -7.327 13.100 -0.575 1.00 0.00 C ATOM 1614 O ALA B 85 -7.147 11.911 -0.340 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.464 14.719 -0.302 1.00 0.00 C ATOM 0 H ALA B 85 -6.433 15.723 -2.377 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.605 13.196 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.072 14.058 0.471 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.636 15.217 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.112 15.467 0.155 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.425 13.744 -0.200 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.507 13.058 0.507 1.00 0.00 C ATOM 1623 C VAL B 86 -10.071 11.909 -0.342 1.00 0.00 C ATOM 1624 O VAL B 86 -10.124 10.764 0.102 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.633 14.056 0.889 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -11.995 13.377 0.963 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.319 14.734 2.209 1.00 0.00 C ATOM 0 H VAL B 86 -8.593 14.735 -0.371 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.097 12.636 1.424 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.678 14.808 0.101 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -12.754 14.112 1.233 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.239 12.944 -0.007 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -11.968 12.589 1.716 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.120 15.430 2.460 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.233 13.982 2.993 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.379 15.278 2.124 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.443 12.226 -1.576 1.00 0.00 N ATOM 1638 CA LYS B 87 -10.999 11.241 -2.506 1.00 0.00 C ATOM 1639 C LYS B 87 -9.930 10.227 -2.893 1.00 0.00 C ATOM 1640 O LYS B 87 -10.223 9.054 -3.109 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.526 11.957 -3.757 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.346 13.205 -3.454 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.744 14.440 -4.114 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.462 15.715 -3.692 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.928 16.919 -4.394 1.00 0.00 N ATOM 0 H LYS B 87 -10.370 13.167 -1.962 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.821 10.713 -2.022 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.682 12.233 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.139 11.262 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.368 13.065 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.397 13.355 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.689 14.514 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.797 14.335 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.527 15.617 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.360 15.849 -2.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.500 17.750 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.941 17.078 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.971 16.769 -5.422 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.696 10.696 -2.988 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.571 9.842 -3.314 1.00 0.00 C ATOM 1661 C GLU B 88 -7.373 8.837 -2.190 1.00 0.00 C ATOM 1662 O GLU B 88 -7.213 7.646 -2.439 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.320 10.689 -3.549 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.155 11.105 -5.002 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.124 12.196 -5.197 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -4.160 11.982 -5.960 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.288 13.286 -4.621 1.00 0.00 O ATOM 0 H GLU B 88 -8.449 11.675 -2.842 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.767 9.294 -4.235 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.368 11.581 -2.924 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.441 10.126 -3.235 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.869 10.234 -5.592 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.115 11.449 -5.386 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.419 9.332 -0.952 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.300 8.488 0.233 1.00 0.00 C ATOM 1676 C ARG B 89 -8.335 7.391 0.143 1.00 0.00 C ATOM 1677 O ARG B 89 -8.054 6.208 0.327 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.576 9.315 1.495 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.512 8.525 2.788 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.357 9.185 3.868 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.697 9.535 3.387 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.415 10.564 3.841 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -9.949 11.336 4.816 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.611 10.817 3.332 1.00 0.00 N ATOM 0 H ARG B 89 -7.539 10.324 -0.746 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.294 8.072 0.285 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -6.854 10.130 1.545 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.564 9.768 1.409 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.864 7.508 2.616 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.478 8.452 3.124 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.443 8.512 4.721 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.853 10.085 4.222 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.108 8.953 2.657 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.034 11.145 5.225 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.506 12.120 5.156 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -11.986 10.225 2.591 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.158 11.604 3.681 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.536 7.827 -0.169 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.676 6.957 -0.308 1.00 0.00 C ATOM 1700 C ASP B 90 -10.513 5.955 -1.445 1.00 0.00 C ATOM 1701 O ASP B 90 -10.775 4.776 -1.253 1.00 0.00 O ATOM 1702 CB ASP B 90 -11.932 7.811 -0.457 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.565 8.068 0.893 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -13.093 7.100 1.486 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -12.496 9.213 1.383 1.00 0.00 O ATOM 0 H ASP B 90 -9.748 8.811 -0.335 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.767 6.348 0.591 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.679 8.759 -0.933 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.645 7.307 -1.109 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.047 6.404 -2.600 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.855 5.513 -3.744 1.00 0.00 C ATOM 1712 C ALA B 91 -8.765 4.481 -3.462 1.00 0.00 C ATOM 1713 O ALA B 91 -8.923 3.310 -3.796 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.528 6.313 -4.994 1.00 0.00 C ATOM 0 H ALA B 91 -9.794 7.377 -2.774 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.788 4.975 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.389 5.633 -5.835 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.348 6.997 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.613 6.883 -4.832 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.657 4.912 -2.853 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.577 3.988 -2.502 1.00 0.00 C ATOM 1722 C VAL B 92 -7.148 2.956 -1.536 1.00 0.00 C ATOM 1723 O VAL B 92 -6.937 1.758 -1.685 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.382 4.707 -1.843 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.246 3.731 -1.590 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.896 5.850 -2.711 1.00 0.00 C ATOM 0 H VAL B 92 -7.486 5.884 -2.595 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.202 3.522 -3.413 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.718 5.113 -0.889 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.412 4.256 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.590 2.937 -0.927 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.920 3.299 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.053 6.342 -2.226 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.582 5.463 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.703 6.569 -2.852 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.911 3.458 -0.564 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.578 2.626 0.434 1.00 0.00 C ATOM 1738 C LYS B 93 -9.495 1.623 -0.251 1.00 0.00 C ATOM 1739 O LYS B 93 -9.395 0.415 -0.047 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.414 3.521 1.359 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.358 2.760 2.282 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.541 3.620 2.716 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.721 3.500 1.755 1.00 0.00 C ATOM 1744 NZ LYS B 93 -12.735 4.584 0.735 1.00 0.00 N ATOM 0 H LYS B 93 -8.083 4.457 -0.448 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.826 2.088 1.012 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.740 4.126 1.966 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -9.998 4.210 0.748 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.724 1.869 1.773 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.812 2.422 3.163 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.857 3.323 3.716 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.228 4.662 2.777 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.680 2.533 1.253 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.652 3.526 2.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.525 4.430 0.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.852 5.503 1.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.838 4.577 0.208 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.378 2.161 -1.074 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.350 1.386 -1.827 1.00 0.00 C ATOM 1760 C ASP B 94 -10.703 0.310 -2.675 1.00 0.00 C ATOM 1761 O ASP B 94 -11.060 -0.860 -2.582 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.175 2.329 -2.703 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.440 2.789 -2.009 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -13.528 3.978 -1.645 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -14.336 1.948 -1.803 1.00 0.00 O ATOM 0 H ASP B 94 -10.441 3.165 -1.241 1.00 0.00 H new ATOM 0 HA ASP B 94 -11.996 0.875 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.572 3.197 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.435 1.824 -3.633 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.732 0.705 -3.471 1.00 0.00 N ATOM 1771 CA LEU B 95 -9.045 -0.220 -4.356 1.00 0.00 C ATOM 1772 C LEU B 95 -8.270 -1.257 -3.558 1.00 0.00 C ATOM 1773 O LEU B 95 -8.103 -2.375 -4.006 1.00 0.00 O ATOM 1774 CB LEU B 95 -8.105 0.549 -5.290 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.754 -0.163 -6.596 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -9.005 -0.409 -7.427 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.739 0.648 -7.387 1.00 0.00 C ATOM 0 H LEU B 95 -9.397 1.667 -3.525 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.790 -0.743 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.564 1.508 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.181 0.763 -4.753 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.311 -1.129 -6.352 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.733 -0.917 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.700 -1.031 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.479 0.544 -7.662 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.500 0.127 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.157 1.628 -7.619 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.832 0.771 -6.796 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.836 -0.899 -2.362 1.00 0.00 N ATOM 1790 CA LEU B 96 -7.079 -1.826 -1.527 1.00 0.00 C ATOM 1791 C LEU B 96 -8.014 -2.820 -0.858 1.00 0.00 C ATOM 1792 O LEU B 96 -7.748 -4.007 -0.864 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.271 -1.080 -0.464 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.987 -0.426 -0.967 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.462 0.568 0.056 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.935 -1.476 -1.267 1.00 0.00 C ATOM 0 H LEU B 96 -7.991 0.019 -1.946 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.385 -2.364 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.904 -0.310 -0.023 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.016 -1.778 0.333 1.00 0.00 H new ATOM 0 HG LEU B 96 -5.214 0.109 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.546 1.026 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.210 1.342 0.228 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.253 0.050 0.992 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -3.027 -0.990 -1.624 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.713 -2.038 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.308 -2.156 -2.033 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.121 -2.337 -0.298 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.092 -3.225 0.349 1.00 0.00 C ATOM 1810 C GLN B 97 -10.675 -4.176 -0.695 1.00 0.00 C ATOM 1811 O GLN B 97 -11.253 -5.216 -0.385 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.199 -2.414 1.043 1.00 0.00 C ATOM 1813 CG GLN B 97 -12.254 -1.845 0.108 1.00 0.00 C ATOM 1814 CD GLN B 97 -13.290 -1.013 0.839 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -13.561 -1.229 2.019 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -13.882 -0.055 0.144 1.00 0.00 N ATOM 0 H GLN B 97 -9.369 -1.348 -0.277 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.589 -3.809 1.120 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.691 -3.052 1.778 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.738 -1.592 1.591 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.769 -1.231 -0.651 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.752 -2.663 -0.414 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -13.632 0.095 -0.833 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.589 0.533 0.586 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.503 -3.774 -1.941 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.948 -4.520 -3.100 1.00 0.00 C ATOM 1827 C GLN B 98 -9.877 -5.507 -3.562 1.00 0.00 C ATOM 1828 O GLN B 98 -10.137 -6.684 -3.810 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.202 -3.512 -4.221 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.603 -2.933 -4.224 1.00 0.00 C ATOM 1831 CD GLN B 98 -12.807 -1.910 -5.323 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.240 -2.021 -6.407 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -13.613 -0.896 -5.045 1.00 0.00 N ATOM 0 H GLN B 98 -10.038 -2.898 -2.179 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.846 -5.084 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.483 -2.697 -4.133 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -11.018 -3.997 -5.180 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.326 -3.740 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.803 -2.468 -3.258 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.066 -0.840 -4.133 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -13.781 -0.172 -5.743 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.675 -4.982 -3.662 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.509 -5.703 -4.151 1.00 0.00 C ATOM 1844 C LEU B 99 -6.778 -6.566 -3.114 1.00 0.00 C ATOM 1845 O LEU B 99 -6.375 -7.682 -3.426 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.554 -4.656 -4.715 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.779 -4.323 -6.191 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -6.017 -3.069 -6.581 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.373 -5.492 -7.072 1.00 0.00 C ATOM 0 H LEU B 99 -8.471 -4.017 -3.400 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.858 -6.420 -4.894 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.651 -3.741 -4.130 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.531 -5.009 -4.587 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.842 -4.136 -6.340 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -6.191 -2.850 -7.635 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.361 -2.231 -5.975 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.951 -3.224 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.541 -5.235 -8.118 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.317 -5.714 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.969 -6.367 -6.813 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.616 -6.064 -1.899 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.871 -6.773 -0.851 1.00 0.00 C ATOM 1863 C LEU B 100 -6.323 -8.226 -0.611 1.00 0.00 C ATOM 1864 O LEU B 100 -5.484 -9.129 -0.605 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.882 -5.978 0.461 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.004 -4.728 0.418 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.945 -4.014 1.761 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.610 -5.090 -0.022 1.00 0.00 C ATOM 0 H LEU B 100 -6.991 -5.162 -1.606 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.850 -6.846 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.906 -5.686 0.692 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.544 -6.623 1.272 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.457 -4.044 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.309 -3.133 1.677 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.949 -3.710 2.056 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.535 -4.687 2.513 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.992 -4.192 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.181 -5.804 0.680 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.646 -5.536 -1.016 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.630 -8.494 -0.415 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.119 -9.856 -0.141 1.00 0.00 C ATOM 1882 C PRO B 101 -7.955 -10.849 -1.292 1.00 0.00 C ATOM 1883 O PRO B 101 -7.882 -12.053 -1.057 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.610 -9.661 0.170 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.774 -8.203 0.433 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.733 -7.517 -0.399 1.00 0.00 C ATOM 0 HA PRO B 101 -7.536 -10.297 0.667 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.231 -9.981 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -9.911 -10.252 1.035 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.775 -7.867 0.162 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -9.639 -7.979 1.491 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.096 -7.301 -1.404 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.426 -6.568 0.040 1.00 0.00 H new ATOM 1894 N LYS B 102 -7.853 -10.366 -2.526 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.730 -11.268 -3.675 1.00 0.00 C ATOM 1896 C LYS B 102 -6.349 -11.932 -3.742 1.00 0.00 C ATOM 1897 O LYS B 102 -6.057 -12.686 -4.672 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.038 -10.534 -4.985 1.00 0.00 C ATOM 1899 CG LYS B 102 -6.862 -9.769 -5.566 1.00 0.00 C ATOM 1900 CD LYS B 102 -7.030 -9.552 -7.065 1.00 0.00 C ATOM 1901 CE LYS B 102 -5.788 -8.943 -7.703 1.00 0.00 C ATOM 1902 NZ LYS B 102 -4.681 -9.927 -7.845 1.00 0.00 N ATOM 0 H LYS B 102 -7.852 -9.373 -2.758 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.467 -12.059 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -8.383 -11.260 -5.721 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.859 -9.838 -4.813 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.769 -8.805 -5.065 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -5.939 -10.317 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.253 -10.505 -7.545 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.884 -8.899 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -6.045 -8.546 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -5.448 -8.102 -7.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -4.239 -9.819 -8.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -3.970 -9.759 -7.104 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -5.059 -10.891 -7.750 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.501 -11.639 -2.766 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.162 -12.216 -2.711 1.00 0.00 C ATOM 1918 C PHE B 103 -4.085 -13.273 -1.620 1.00 0.00 C ATOM 1919 O PHE B 103 -3.028 -13.850 -1.369 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.123 -11.131 -2.434 1.00 0.00 C ATOM 1921 CG PHE B 103 -2.897 -10.200 -3.584 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -1.717 -10.242 -4.303 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -3.865 -9.283 -3.946 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -1.508 -9.386 -5.363 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -3.663 -8.425 -5.005 1.00 0.00 C ATOM 1926 CZ PHE B 103 -2.485 -8.477 -5.714 1.00 0.00 C ATOM 0 H PHE B 103 -5.716 -11.003 -1.998 1.00 0.00 H new ATOM 0 HA PHE B 103 -3.952 -12.677 -3.676 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.440 -10.551 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.177 -11.606 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -0.951 -10.953 -4.031 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.791 -9.238 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -0.582 -9.427 -5.917 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.428 -7.713 -5.278 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.325 -7.806 -6.545 1.00 0.00 H new