USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=27 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 98 GLN : amide:sc= -0.491 K(o=0.65,f=0.061) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -150:sc= 1.14 (180deg=-0.182) USER MOD Set 2.1: B 13 LYS NZ :NH3+ 137:sc= 0.0234 (180deg=-4.76!) USER MOD Set 2.2: B 81 ASN : amide:sc= -1.46! C(o=-0.24!,f=-7!) USER MOD Set 2.3: B 84 THR OG1 : rot 34:sc= 1.2 USER MOD Set 3.1: B 54 LYS NZ :NH3+ 171:sc= 0.308 (180deg=-0.988) USER MOD Set 3.2: B 66 GLN : amide:sc= -0.952 K(o=-3.6,f=-14!) USER MOD Set 3.3: B 76 ASN : amide:sc= -2.94! C(o=-3.6!,f=-6.4!) USER MOD Set 4.1: B 45 HIS : no HE2:sc= -2.37! C(o=-2.4!,f=-5.2!) USER MOD Set 4.2: B 75 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: B 20 GLN : amide:sc= 0.44 K(o=2.9,f=-5.6!) USER MOD Set 5.2: B 38 LYS NZ :NH3+ -150:sc= 2.5 (180deg=0.856) USER MOD Single : A 404 ASN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : B 14 LYS NZ :NH3+ -138:sc= 1.6 (180deg=-2.36!) USER MOD Single : B 17 GLN :FLIP amide:sc= -1.77! C(o=-2.3!,f=-1.8!) USER MOD Single : B 18 LYS NZ :NH3+ -164:sc= -1.28 (180deg=-1.36) USER MOD Single : B 19 LYS NZ :NH3+ -160:sc= -0.0142 (180deg=-0.204) 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 170:sc= -0.7 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -149:sc= -0.33 (180deg=-1.53!) USER MOD Single : B 47 TYR OH : rot 137:sc= 1.27 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 180:sc= -4.94! USER MOD Single : B 53 GLN : amide:sc= -5.87! C(o=-5.9!,f=-6.6!) USER MOD Single : B 56 SER OG : rot 175:sc= -1.39 USER MOD Single : B 60 LYS NZ :NH3+ 171:sc= 2.21 (180deg=1.69) USER MOD Single : B 62 LYS NZ :NH3+ -137:sc= -0.536! (180deg=-1.11!) USER MOD Single : B 64 GLN :FLIP amide:sc= -1.55 F(o=-2.5!,f=-1.6) USER MOD Single : B 70 HIS : no HE2:sc= -5.61! C(o=-5.6!,f=-11!) USER MOD Single : B 74 THR OG1 : rot 41:sc= 0.0382 USER MOD Single : B 78 HIS : no HD1:sc= -3.44 X(o=-3.4,f=-3.2) USER MOD Single : B 80 SER OG : rot 154:sc= 1.29 USER MOD Single : B 83 SER OG : rot 79:sc= 1.22 USER MOD Single : B 87 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.25) USER MOD Single : B 93 LYS NZ :NH3+ 175:sc= 2 (180deg=1.62) USER MOD Single : B 97 GLN : amide:sc= -0.0731 K(o=-0.073,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 101 N GLU A 399 1.237 13.285 11.928 1.00 0.00 N ATOM 102 CA GLU A 399 0.200 12.927 12.886 1.00 0.00 C ATOM 103 C GLU A 399 -0.547 11.724 12.361 1.00 0.00 C ATOM 104 O GLU A 399 -1.232 11.808 11.345 1.00 0.00 O ATOM 105 CB GLU A 399 -0.778 14.076 13.129 1.00 0.00 C ATOM 106 CG GLU A 399 -0.906 15.036 11.961 1.00 0.00 C ATOM 107 CD GLU A 399 -2.180 15.857 12.002 1.00 0.00 C ATOM 108 OE1 GLU A 399 -2.976 15.675 12.943 1.00 0.00 O ATOM 109 OE2 GLU A 399 -2.393 16.673 11.073 1.00 0.00 O ATOM 0 HA GLU A 399 0.676 12.700 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 399 -1.761 13.661 13.354 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.457 14.632 14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -0.048 15.708 11.955 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.875 14.471 11.029 1.00 0.00 H new ATOM 116 N ASP A 400 -0.410 10.608 13.042 1.00 0.00 N ATOM 117 CA ASP A 400 -1.055 9.385 12.611 1.00 0.00 C ATOM 118 C ASP A 400 -1.634 8.649 13.805 1.00 0.00 C ATOM 119 O ASP A 400 -0.996 7.757 14.363 1.00 0.00 O ATOM 120 CB ASP A 400 -0.051 8.481 11.903 1.00 0.00 C ATOM 121 CG ASP A 400 0.845 9.218 10.924 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.801 9.893 11.369 1.00 0.00 O ATOM 123 OD2 ASP A 400 0.596 9.106 9.707 1.00 0.00 O ATOM 0 H ASP A 400 0.141 10.521 13.896 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.858 9.644 11.921 1.00 0.00 H new ATOM 0 HB2 ASP A 400 0.570 7.987 12.650 1.00 0.00 H new ATOM 0 HB3 ASP A 400 -0.592 7.699 11.370 1.00 0.00 H new ATOM 128 N ASP A 401 -2.832 9.029 14.201 1.00 0.00 N ATOM 129 CA ASP A 401 -3.477 8.419 15.365 1.00 0.00 C ATOM 130 C ASP A 401 -4.963 8.164 15.152 1.00 0.00 C ATOM 131 O ASP A 401 -5.436 7.057 15.404 1.00 0.00 O ATOM 132 CB ASP A 401 -3.261 9.290 16.608 1.00 0.00 C ATOM 133 CG ASP A 401 -3.228 10.776 16.283 1.00 0.00 C ATOM 134 OD1 ASP A 401 -2.343 11.480 16.805 1.00 0.00 O ATOM 135 OD2 ASP A 401 -4.072 11.236 15.481 1.00 0.00 O ATOM 0 H ASP A 401 -3.383 9.754 13.742 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.008 7.446 15.513 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -4.058 9.096 17.326 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.324 9.006 17.088 1.00 0.00 H new ATOM 140 N ASP A 402 -5.697 9.171 14.683 1.00 0.00 N ATOM 141 CA ASP A 402 -7.137 9.026 14.429 1.00 0.00 C ATOM 142 C ASP A 402 -7.369 8.141 13.213 1.00 0.00 C ATOM 143 O ASP A 402 -8.481 8.038 12.692 1.00 0.00 O ATOM 144 CB ASP A 402 -7.811 10.388 14.223 1.00 0.00 C ATOM 145 CG ASP A 402 -7.085 11.268 13.224 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.692 10.770 12.145 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.894 12.461 13.529 1.00 0.00 O ATOM 0 H ASP A 402 -5.323 10.096 14.470 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.585 8.559 15.306 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.835 10.232 13.883 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.868 10.906 15.180 1.00 0.00 H new ATOM 152 N PHE A 403 -6.292 7.504 12.790 1.00 0.00 N ATOM 153 CA PHE A 403 -6.276 6.607 11.677 1.00 0.00 C ATOM 154 C PHE A 403 -7.324 5.515 11.866 1.00 0.00 C ATOM 155 O PHE A 403 -7.212 4.677 12.759 1.00 0.00 O ATOM 156 CB PHE A 403 -4.888 6.014 11.615 1.00 0.00 C ATOM 157 CG PHE A 403 -4.113 6.375 10.410 1.00 0.00 C ATOM 158 CD1 PHE A 403 -2.839 6.884 10.522 1.00 0.00 C ATOM 159 CD2 PHE A 403 -4.645 6.156 9.164 1.00 0.00 C ATOM 160 CE1 PHE A 403 -2.104 7.164 9.399 1.00 0.00 C ATOM 161 CE2 PHE A 403 -3.923 6.442 8.038 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.648 6.941 8.155 1.00 0.00 C ATOM 0 H PHE A 403 -5.380 7.609 13.235 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.514 7.126 10.748 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.332 6.333 12.496 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.969 4.928 11.666 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -2.416 7.064 11.499 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -5.643 5.754 9.072 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -1.103 7.558 9.490 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -4.353 6.276 7.061 1.00 0.00 H new ATOM 0 HZ PHE A 403 -2.071 7.159 7.268 1.00 0.00 H new ATOM 172 N ASN A 404 -8.322 5.523 11.007 1.00 0.00 N ATOM 173 CA ASN A 404 -9.415 4.570 11.095 1.00 0.00 C ATOM 174 C ASN A 404 -9.166 3.365 10.211 1.00 0.00 C ATOM 175 O ASN A 404 -8.785 3.503 9.051 1.00 0.00 O ATOM 176 CB ASN A 404 -10.733 5.243 10.701 1.00 0.00 C ATOM 177 CG ASN A 404 -11.515 5.745 11.899 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.440 5.086 12.370 1.00 0.00 O ATOM 179 ND2 ASN A 404 -11.141 6.909 12.409 1.00 0.00 N ATOM 0 H ASN A 404 -8.401 6.183 10.233 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.479 4.226 12.127 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.524 6.078 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.346 4.534 10.143 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.626 7.289 13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.368 7.425 11.989 1.00 0.00 H new ATOM 361 N VAL B 8 -0.226 0.398 -13.782 1.00 0.00 N ATOM 362 CA VAL B 8 -0.818 1.246 -12.763 1.00 0.00 C ATOM 363 C VAL B 8 -2.308 1.440 -12.997 1.00 0.00 C ATOM 364 O VAL B 8 -2.730 1.920 -14.046 1.00 0.00 O ATOM 365 CB VAL B 8 -0.120 2.614 -12.720 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.798 3.530 -11.714 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.351 2.428 -12.387 1.00 0.00 C ATOM 0 HA VAL B 8 -0.682 0.744 -11.805 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.198 3.085 -13.700 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -0.289 4.494 -11.699 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.840 3.675 -11.998 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.752 3.079 -10.723 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.843 3.400 -12.357 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.446 1.944 -11.415 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.821 1.807 -13.149 1.00 0.00 H new ATOM 377 N LEU B 9 -3.098 1.073 -12.002 1.00 0.00 N ATOM 378 CA LEU B 9 -4.539 1.204 -12.093 1.00 0.00 C ATOM 379 C LEU B 9 -4.998 2.507 -11.450 1.00 0.00 C ATOM 380 O LEU B 9 -6.010 3.086 -11.842 1.00 0.00 O ATOM 381 CB LEU B 9 -5.232 0.017 -11.412 1.00 0.00 C ATOM 382 CG LEU B 9 -4.707 -1.371 -11.796 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.438 -2.449 -11.012 1.00 0.00 C ATOM 384 CD2 LEU B 9 -4.858 -1.608 -13.292 1.00 0.00 C ATOM 0 H LEU B 9 -2.763 0.682 -11.121 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.813 1.214 -13.148 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.137 0.135 -10.333 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.296 0.059 -11.644 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.647 -1.418 -11.547 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.054 -3.429 -11.296 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.281 -2.293 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.504 -2.399 -11.233 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.479 -2.599 -13.543 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.911 -1.541 -13.567 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.292 -0.854 -13.839 1.00 0.00 H new ATOM 396 N LEU B 10 -4.250 2.963 -10.457 1.00 0.00 N ATOM 397 CA LEU B 10 -4.585 4.189 -9.751 1.00 0.00 C ATOM 398 C LEU B 10 -3.376 5.094 -9.590 1.00 0.00 C ATOM 399 O LEU B 10 -2.355 4.681 -9.040 1.00 0.00 O ATOM 400 CB LEU B 10 -5.134 3.850 -8.375 1.00 0.00 C ATOM 401 CG LEU B 10 -5.560 5.058 -7.539 1.00 0.00 C ATOM 402 CD1 LEU B 10 -7.014 5.413 -7.770 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.316 4.797 -6.069 1.00 0.00 C ATOM 0 H LEU B 10 -3.405 2.501 -10.122 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.333 4.718 -10.342 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.992 3.188 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.376 3.293 -7.824 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.954 5.906 -7.857 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.279 6.276 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -7.167 5.653 -8.822 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.643 4.566 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.625 5.667 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -5.892 3.927 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.255 4.609 -5.904 1.00 0.00 H new ATOM 415 N ILE B 11 -3.493 6.323 -10.066 1.00 0.00 N ATOM 416 CA ILE B 11 -2.416 7.286 -9.935 1.00 0.00 C ATOM 417 C ILE B 11 -2.803 8.352 -8.927 1.00 0.00 C ATOM 418 O ILE B 11 -3.826 9.022 -9.074 1.00 0.00 O ATOM 419 CB ILE B 11 -2.049 7.973 -11.263 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.721 6.930 -12.336 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.870 8.915 -11.038 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.388 7.527 -13.686 1.00 0.00 C ATOM 0 H ILE B 11 -4.322 6.675 -10.545 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.541 6.727 -9.602 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.901 8.554 -11.616 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.878 6.327 -11.998 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.571 6.256 -12.447 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.609 9.402 -11.978 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -1.143 9.670 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -0.014 8.346 -10.674 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -1.167 6.727 -14.393 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.238 8.106 -14.047 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.519 8.178 -13.592 1.00 0.00 H new ATOM 434 N VAL B 12 -1.985 8.493 -7.909 1.00 0.00 N ATOM 435 CA VAL B 12 -2.213 9.461 -6.863 1.00 0.00 C ATOM 436 C VAL B 12 -1.103 10.492 -6.896 1.00 0.00 C ATOM 437 O VAL B 12 0.025 10.188 -7.280 1.00 0.00 O ATOM 438 CB VAL B 12 -2.259 8.785 -5.485 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.830 9.717 -4.439 1.00 0.00 C ATOM 440 CG2 VAL B 12 -3.066 7.501 -5.553 1.00 0.00 C ATOM 0 H VAL B 12 -1.139 7.937 -7.784 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.176 9.943 -7.032 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.238 8.540 -5.194 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.850 9.212 -3.474 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.208 10.609 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.844 10.003 -4.721 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.089 7.033 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -4.084 7.727 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.605 6.819 -6.268 1.00 0.00 H new ATOM 450 N LYS B 13 -1.416 11.698 -6.493 1.00 0.00 N ATOM 451 CA LYS B 13 -0.439 12.767 -6.511 1.00 0.00 C ATOM 452 C LYS B 13 -0.137 13.249 -5.114 1.00 0.00 C ATOM 453 O LYS B 13 -0.784 12.817 -4.168 1.00 0.00 O ATOM 454 CB LYS B 13 -0.935 13.925 -7.365 1.00 0.00 C ATOM 455 CG LYS B 13 -1.053 13.566 -8.829 1.00 0.00 C ATOM 456 CD LYS B 13 -2.337 14.101 -9.434 1.00 0.00 C ATOM 457 CE LYS B 13 -3.569 13.363 -8.916 1.00 0.00 C ATOM 458 NZ LYS B 13 -4.109 13.961 -7.661 1.00 0.00 N ATOM 0 H LYS B 13 -2.337 11.968 -6.148 1.00 0.00 H new ATOM 0 HA LYS B 13 0.480 12.374 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -1.907 14.252 -6.996 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.253 14.768 -7.256 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -0.199 13.969 -9.373 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -1.021 12.482 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -2.429 15.163 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -2.291 14.010 -10.519 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.344 13.374 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.314 12.319 -8.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.146 14.008 -7.717 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.833 13.373 -6.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.725 14.920 -7.540 1.00 0.00 H new ATOM 472 N LYS B 14 0.801 14.198 -5.045 1.00 0.00 N ATOM 473 CA LYS B 14 1.286 14.804 -3.796 1.00 0.00 C ATOM 474 C LYS B 14 0.957 13.969 -2.562 1.00 0.00 C ATOM 475 O LYS B 14 0.024 14.259 -1.813 1.00 0.00 O ATOM 476 CB LYS B 14 0.721 16.215 -3.651 1.00 0.00 C ATOM 477 CG LYS B 14 1.506 17.268 -4.415 1.00 0.00 C ATOM 478 CD LYS B 14 2.354 18.113 -3.479 1.00 0.00 C ATOM 479 CE LYS B 14 3.685 18.484 -4.110 1.00 0.00 C ATOM 480 NZ LYS B 14 4.508 17.285 -4.404 1.00 0.00 N ATOM 0 H LYS B 14 1.257 14.577 -5.875 1.00 0.00 H new ATOM 0 HA LYS B 14 2.373 14.846 -3.861 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.312 16.221 -3.999 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.703 16.483 -2.595 1.00 0.00 H new ATOM 0 HG2 LYS B 14 2.147 16.783 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS B 14 0.818 17.910 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS B 14 1.811 19.020 -3.215 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.530 17.566 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.508 19.039 -5.032 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.233 19.146 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.498 17.471 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.153 16.477 -3.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.451 17.065 -5.419 1.00 0.00 H new ATOM 494 N VAL B 15 1.717 12.901 -2.402 1.00 0.00 N ATOM 495 CA VAL B 15 1.569 11.994 -1.280 1.00 0.00 C ATOM 496 C VAL B 15 2.896 11.885 -0.551 1.00 0.00 C ATOM 497 O VAL B 15 3.901 11.487 -1.133 1.00 0.00 O ATOM 498 CB VAL B 15 1.107 10.587 -1.733 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.327 9.554 -0.633 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.355 10.608 -2.136 1.00 0.00 C ATOM 0 H VAL B 15 2.458 12.638 -3.051 1.00 0.00 H new ATOM 0 HA VAL B 15 0.802 12.395 -0.617 1.00 0.00 H new ATOM 0 HB VAL B 15 1.709 10.304 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.993 8.576 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.387 9.508 -0.384 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.758 9.838 0.252 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.660 9.610 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.962 10.922 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.495 11.307 -2.960 1.00 0.00 H new ATOM 510 N ARG B 16 2.896 12.258 0.710 1.00 0.00 N ATOM 511 CA ARG B 16 4.090 12.207 1.520 1.00 0.00 C ATOM 512 C ARG B 16 4.222 10.858 2.204 1.00 0.00 C ATOM 513 O ARG B 16 3.290 10.374 2.836 1.00 0.00 O ATOM 514 CB ARG B 16 4.067 13.313 2.572 1.00 0.00 C ATOM 515 CG ARG B 16 4.378 14.690 2.021 1.00 0.00 C ATOM 516 CD ARG B 16 4.198 15.761 3.079 1.00 0.00 C ATOM 517 NE ARG B 16 4.569 15.280 4.411 1.00 0.00 N ATOM 518 CZ ARG B 16 4.408 15.983 5.528 1.00 0.00 C ATOM 519 NH1 ARG B 16 3.932 17.219 5.482 1.00 0.00 N ATOM 520 NH2 ARG B 16 4.714 15.451 6.700 1.00 0.00 N ATOM 0 H ARG B 16 2.071 12.604 1.200 1.00 0.00 H new ATOM 0 HA ARG B 16 4.947 12.353 0.863 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.084 13.334 3.042 1.00 0.00 H new ATOM 0 HB3 ARG B 16 4.789 13.073 3.353 1.00 0.00 H new ATOM 0 HG2 ARG B 16 5.402 14.712 1.649 1.00 0.00 H new ATOM 0 HG3 ARG B 16 3.726 14.900 1.173 1.00 0.00 H new ATOM 0 HD2 ARG B 16 4.806 16.629 2.824 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.159 16.091 3.088 1.00 0.00 H new ATOM 0 HE ARG B 16 4.976 14.348 4.487 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.686 17.638 4.585 1.00 0.00 H new ATOM 0 HH12 ARG B 16 3.812 17.751 6.344 1.00 0.00 H new ATOM 0 HH21 ARG B 16 5.075 14.498 6.749 1.00 0.00 H new ATOM 0 HH22 ARG B 16 4.589 15.994 7.555 1.00 0.00 H new ATOM 534 N GLN B 17 5.374 10.248 2.053 1.00 0.00 N ATOM 535 CA GLN B 17 5.646 8.973 2.675 1.00 0.00 C ATOM 536 C GLN B 17 6.936 9.086 3.466 1.00 0.00 C ATOM 537 O GLN B 17 8.023 9.139 2.888 1.00 0.00 O ATOM 538 CB GLN B 17 5.749 7.866 1.623 1.00 0.00 C ATOM 539 CG GLN B 17 5.394 6.484 2.152 1.00 0.00 C ATOM 540 CD GLN B 17 6.504 5.851 2.970 1.00 0.00 C ATOM 541 OE1 GLN B 17 7.747 6.100 2.582 1.00 0.00 O flip ATOM 542 NE2 GLN B 17 6.248 5.139 3.936 1.00 0.00 N flip ATOM 0 H GLN B 17 6.146 10.619 1.499 1.00 0.00 H new ATOM 0 HA GLN B 17 4.827 8.710 3.345 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.089 8.107 0.789 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.765 7.845 1.229 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.496 6.557 2.766 1.00 0.00 H new ATOM 0 HG3 GLN B 17 5.154 5.832 1.312 1.00 0.00 H new ATOM 0 HE21 GLN B 17 5.278 4.971 4.203 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.005 4.715 4.472 1.00 0.00 H new ATOM 551 N LYS B 18 6.789 9.173 4.784 1.00 0.00 N ATOM 552 CA LYS B 18 7.916 9.286 5.702 1.00 0.00 C ATOM 553 C LYS B 18 8.568 10.662 5.592 1.00 0.00 C ATOM 554 O LYS B 18 9.782 10.776 5.421 1.00 0.00 O ATOM 555 CB LYS B 18 8.935 8.162 5.463 1.00 0.00 C ATOM 556 CG LYS B 18 8.904 7.061 6.516 1.00 0.00 C ATOM 557 CD LYS B 18 7.539 6.398 6.595 1.00 0.00 C ATOM 558 CE LYS B 18 6.675 7.037 7.667 1.00 0.00 C ATOM 559 NZ LYS B 18 5.228 6.972 7.337 1.00 0.00 N ATOM 0 H LYS B 18 5.880 9.167 5.247 1.00 0.00 H new ATOM 0 HA LYS B 18 7.539 9.177 6.719 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.749 7.720 4.484 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.936 8.593 5.433 1.00 0.00 H new ATOM 0 HG2 LYS B 18 9.660 6.311 6.281 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.162 7.480 7.489 1.00 0.00 H new ATOM 0 HD2 LYS B 18 7.039 6.474 5.629 1.00 0.00 H new ATOM 0 HD3 LYS B 18 7.660 5.336 6.808 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.851 6.536 8.619 1.00 0.00 H new ATOM 0 HE3 LYS B 18 6.970 8.078 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 4.705 7.640 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 5.088 7.222 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 4.877 6.008 7.505 1.00 0.00 H new ATOM 573 N LYS B 19 7.730 11.701 5.682 1.00 0.00 N ATOM 574 CA LYS B 19 8.175 13.097 5.621 1.00 0.00 C ATOM 575 C LYS B 19 8.739 13.453 4.243 1.00 0.00 C ATOM 576 O LYS B 19 9.546 14.372 4.114 1.00 0.00 O ATOM 577 CB LYS B 19 9.222 13.379 6.711 1.00 0.00 C ATOM 578 CG LYS B 19 8.844 14.501 7.673 1.00 0.00 C ATOM 579 CD LYS B 19 7.824 14.041 8.706 1.00 0.00 C ATOM 580 CE LYS B 19 8.025 14.716 10.053 1.00 0.00 C ATOM 581 NZ LYS B 19 9.275 14.268 10.724 1.00 0.00 N ATOM 0 H LYS B 19 6.722 11.597 5.799 1.00 0.00 H new ATOM 0 HA LYS B 19 7.301 13.725 5.796 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.387 12.466 7.284 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.168 13.631 6.232 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.739 14.861 8.181 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.437 15.341 7.110 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.819 14.254 8.341 1.00 0.00 H new ATOM 0 HD3 LYS B 19 7.896 12.960 8.829 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.056 15.797 9.915 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.172 14.501 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.214 14.470 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.399 13.245 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.088 14.775 10.319 1.00 0.00 H new ATOM 595 N GLN B 20 8.291 12.744 3.212 1.00 0.00 N ATOM 596 CA GLN B 20 8.766 12.998 1.856 1.00 0.00 C ATOM 597 C GLN B 20 7.612 12.943 0.859 1.00 0.00 C ATOM 598 O GLN B 20 6.941 11.925 0.740 1.00 0.00 O ATOM 599 CB GLN B 20 9.844 11.983 1.479 1.00 0.00 C ATOM 600 CG GLN B 20 10.338 12.124 0.052 1.00 0.00 C ATOM 601 CD GLN B 20 11.602 11.330 -0.210 1.00 0.00 C ATOM 602 OE1 GLN B 20 12.414 11.697 -1.063 1.00 0.00 O ATOM 603 NE2 GLN B 20 11.779 10.238 0.517 1.00 0.00 N ATOM 0 H GLN B 20 7.604 11.994 3.288 1.00 0.00 H new ATOM 0 HA GLN B 20 9.197 13.999 1.822 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.688 12.093 2.159 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.449 10.977 1.620 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.557 11.793 -0.633 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.524 13.177 -0.162 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.083 9.970 1.212 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.612 9.665 0.382 1.00 0.00 H new ATOM 612 N ASP B 21 7.403 14.037 0.140 1.00 0.00 N ATOM 613 CA ASP B 21 6.316 14.137 -0.838 1.00 0.00 C ATOM 614 C ASP B 21 6.643 13.390 -2.133 1.00 0.00 C ATOM 615 O ASP B 21 7.814 13.192 -2.473 1.00 0.00 O ATOM 616 CB ASP B 21 6.015 15.605 -1.143 1.00 0.00 C ATOM 617 CG ASP B 21 4.552 15.843 -1.464 1.00 0.00 C ATOM 618 OD1 ASP B 21 4.115 15.460 -2.567 1.00 0.00 O ATOM 619 OD2 ASP B 21 3.839 16.423 -0.619 1.00 0.00 O ATOM 0 H ASP B 21 7.975 14.878 0.213 1.00 0.00 H new ATOM 0 HA ASP B 21 5.435 13.668 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP B 21 6.300 16.217 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP B 21 6.626 15.931 -1.985 1.00 0.00 H new ATOM 624 N GLY B 22 5.598 12.961 -2.836 1.00 0.00 N ATOM 625 CA GLY B 22 5.765 12.239 -4.083 1.00 0.00 C ATOM 626 C GLY B 22 4.433 11.888 -4.727 1.00 0.00 C ATOM 627 O GLY B 22 3.424 12.537 -4.467 1.00 0.00 O ATOM 0 H GLY B 22 4.627 13.104 -2.558 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.353 12.843 -4.774 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.329 11.325 -3.899 1.00 0.00 H new ATOM 631 N ALA B 23 4.430 10.854 -5.558 1.00 0.00 N ATOM 632 CA ALA B 23 3.224 10.404 -6.247 1.00 0.00 C ATOM 633 C ALA B 23 3.038 8.906 -6.034 1.00 0.00 C ATOM 634 O ALA B 23 3.983 8.128 -6.172 1.00 0.00 O ATOM 635 CB ALA B 23 3.312 10.726 -7.730 1.00 0.00 C ATOM 0 H ALA B 23 5.261 10.303 -5.774 1.00 0.00 H new ATOM 0 HA ALA B 23 2.361 10.928 -5.835 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.406 10.385 -8.231 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.416 11.803 -7.863 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.177 10.222 -8.161 1.00 0.00 H new ATOM 641 N LEU B 24 1.825 8.510 -5.697 1.00 0.00 N ATOM 642 CA LEU B 24 1.510 7.109 -5.435 1.00 0.00 C ATOM 643 C LEU B 24 0.896 6.456 -6.676 1.00 0.00 C ATOM 644 O LEU B 24 0.137 7.086 -7.401 1.00 0.00 O ATOM 645 CB LEU B 24 0.550 7.030 -4.247 1.00 0.00 C ATOM 646 CG LEU B 24 0.099 5.623 -3.861 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.016 4.997 -2.836 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.327 5.653 -3.340 1.00 0.00 C ATOM 0 H LEU B 24 1.031 9.142 -5.596 1.00 0.00 H new ATOM 0 HA LEU B 24 2.425 6.567 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.030 7.489 -3.383 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.333 7.626 -4.475 1.00 0.00 H new ATOM 0 HG LEU B 24 0.142 5.007 -4.759 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.658 3.997 -2.590 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.025 4.931 -3.243 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.027 5.610 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.636 4.644 -3.068 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.380 6.297 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.989 6.039 -4.115 1.00 0.00 H new ATOM 660 N TYR B 25 1.240 5.201 -6.929 1.00 0.00 N ATOM 661 CA TYR B 25 0.722 4.472 -8.086 1.00 0.00 C ATOM 662 C TYR B 25 0.351 3.046 -7.690 1.00 0.00 C ATOM 663 O TYR B 25 1.227 2.228 -7.411 1.00 0.00 O ATOM 664 CB TYR B 25 1.764 4.410 -9.213 1.00 0.00 C ATOM 665 CG TYR B 25 2.337 5.743 -9.642 1.00 0.00 C ATOM 666 CD1 TYR B 25 1.783 6.451 -10.699 1.00 0.00 C ATOM 667 CD2 TYR B 25 3.444 6.282 -9.000 1.00 0.00 C ATOM 668 CE1 TYR B 25 2.317 7.660 -11.104 1.00 0.00 C ATOM 669 CE2 TYR B 25 3.981 7.490 -9.398 1.00 0.00 C ATOM 670 CZ TYR B 25 3.414 8.175 -10.450 1.00 0.00 C ATOM 671 OH TYR B 25 3.948 9.377 -10.851 1.00 0.00 O ATOM 0 H TYR B 25 1.880 4.661 -6.346 1.00 0.00 H new ATOM 0 HA TYR B 25 -0.160 5.005 -8.440 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.584 3.768 -8.892 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.308 3.934 -10.081 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.921 6.051 -11.213 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.892 5.747 -8.176 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.876 8.198 -11.930 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.841 7.896 -8.887 1.00 0.00 H new ATOM 0 HH TYR B 25 4.717 9.598 -10.285 1.00 0.00 H new ATOM 681 N LEU B 26 -0.935 2.733 -7.674 1.00 0.00 N ATOM 682 CA LEU B 26 -1.366 1.390 -7.305 1.00 0.00 C ATOM 683 C LEU B 26 -1.392 0.492 -8.532 1.00 0.00 C ATOM 684 O LEU B 26 -1.985 0.840 -9.553 1.00 0.00 O ATOM 685 CB LEU B 26 -2.738 1.403 -6.636 1.00 0.00 C ATOM 686 CG LEU B 26 -2.883 2.378 -5.470 1.00 0.00 C ATOM 687 CD1 LEU B 26 -4.058 2.004 -4.596 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.632 2.435 -4.629 1.00 0.00 C ATOM 0 H LEU B 26 -1.690 3.378 -7.908 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.648 0.997 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.489 1.646 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.960 0.398 -6.278 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.054 3.364 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.140 2.714 -3.773 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.973 2.027 -5.187 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.910 1.001 -4.197 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.776 3.140 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.421 1.446 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.794 2.761 -5.245 1.00 0.00 H new ATOM 700 N MET B 27 -0.746 -0.657 -8.428 1.00 0.00 N ATOM 701 CA MET B 27 -0.675 -1.605 -9.527 1.00 0.00 C ATOM 702 C MET B 27 -1.535 -2.824 -9.240 1.00 0.00 C ATOM 703 O MET B 27 -1.939 -3.051 -8.105 1.00 0.00 O ATOM 704 CB MET B 27 0.771 -2.015 -9.770 1.00 0.00 C ATOM 705 CG MET B 27 1.631 -0.862 -10.247 1.00 0.00 C ATOM 706 SD MET B 27 3.330 -0.954 -9.668 1.00 0.00 S ATOM 707 CE MET B 27 3.958 0.562 -10.370 1.00 0.00 C ATOM 0 H MET B 27 -0.258 -0.958 -7.584 1.00 0.00 H new ATOM 0 HA MET B 27 -1.059 -1.125 -10.427 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.190 -2.419 -8.848 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.799 -2.815 -10.510 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.627 -0.841 -11.337 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.190 0.075 -9.909 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.011 0.674 -10.111 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.852 0.532 -11.454 1.00 0.00 H new ATOM 0 HE3 MET B 27 3.395 1.407 -9.974 1.00 0.00 H new ATOM 717 N ALA B 28 -1.767 -3.619 -10.275 1.00 0.00 N ATOM 718 CA ALA B 28 -2.615 -4.811 -10.191 1.00 0.00 C ATOM 719 C ALA B 28 -2.347 -5.693 -8.965 1.00 0.00 C ATOM 720 O ALA B 28 -3.282 -6.086 -8.277 1.00 0.00 O ATOM 721 CB ALA B 28 -2.478 -5.631 -11.463 1.00 0.00 C ATOM 0 H ALA B 28 -1.373 -3.459 -11.202 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.636 -4.447 -10.076 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -3.111 -6.516 -11.395 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.786 -5.030 -12.318 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.439 -5.936 -11.589 1.00 0.00 H new ATOM 727 N GLU B 29 -1.086 -6.008 -8.682 1.00 0.00 N ATOM 728 CA GLU B 29 -0.777 -6.876 -7.541 1.00 0.00 C ATOM 729 C GLU B 29 0.059 -6.176 -6.469 1.00 0.00 C ATOM 730 O GLU B 29 0.423 -6.799 -5.467 1.00 0.00 O ATOM 731 CB GLU B 29 -0.016 -8.126 -8.001 1.00 0.00 C ATOM 732 CG GLU B 29 -0.480 -8.710 -9.328 1.00 0.00 C ATOM 733 CD GLU B 29 0.624 -9.486 -10.024 1.00 0.00 C ATOM 734 OE1 GLU B 29 1.277 -10.320 -9.362 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.869 -9.238 -11.222 1.00 0.00 O ATOM 0 H GLU B 29 -0.276 -5.686 -9.211 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.739 -7.147 -7.106 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.043 -7.880 -8.080 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.108 -8.893 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -1.333 -9.367 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -0.823 -7.905 -9.978 1.00 0.00 H new ATOM 742 N ARG B 30 0.344 -4.891 -6.631 1.00 0.00 N ATOM 743 CA ARG B 30 1.182 -4.208 -5.649 1.00 0.00 C ATOM 744 C ARG B 30 0.951 -2.706 -5.631 1.00 0.00 C ATOM 745 O ARG B 30 0.553 -2.115 -6.627 1.00 0.00 O ATOM 746 CB ARG B 30 2.666 -4.489 -5.934 1.00 0.00 C ATOM 747 CG ARG B 30 3.220 -3.715 -7.123 1.00 0.00 C ATOM 748 CD ARG B 30 4.663 -4.094 -7.428 1.00 0.00 C ATOM 749 NE ARG B 30 5.135 -3.458 -8.658 1.00 0.00 N ATOM 750 CZ ARG B 30 5.705 -4.111 -9.674 1.00 0.00 C ATOM 751 NH1 ARG B 30 5.949 -5.412 -9.591 1.00 0.00 N ATOM 752 NH2 ARG B 30 6.040 -3.463 -10.778 1.00 0.00 N ATOM 0 H ARG B 30 0.020 -4.313 -7.407 1.00 0.00 H new ATOM 0 HA ARG B 30 0.905 -4.599 -4.670 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.250 -4.242 -5.047 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.796 -5.556 -6.114 1.00 0.00 H new ATOM 0 HG2 ARG B 30 2.602 -3.906 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG B 30 3.161 -2.646 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG B 30 5.302 -3.798 -6.596 1.00 0.00 H new ATOM 0 HD3 ARG B 30 4.744 -5.177 -7.523 1.00 0.00 H new ATOM 0 HE ARG B 30 5.021 -2.448 -8.745 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.701 -5.924 -8.745 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.385 -5.900 -10.373 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.863 -2.461 -10.855 1.00 0.00 H new ATOM 0 HH22 ARG B 30 6.475 -3.965 -11.552 1.00 0.00 H new ATOM 766 N ILE B 31 1.210 -2.108 -4.485 1.00 0.00 N ATOM 767 CA ILE B 31 1.080 -0.673 -4.314 1.00 0.00 C ATOM 768 C ILE B 31 2.471 -0.054 -4.369 1.00 0.00 C ATOM 769 O ILE B 31 3.357 -0.427 -3.594 1.00 0.00 O ATOM 770 CB ILE B 31 0.386 -0.308 -2.975 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.755 1.118 -2.546 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.743 -1.310 -1.885 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.082 1.648 -1.405 1.00 0.00 C ATOM 0 H ILE B 31 1.516 -2.602 -3.647 1.00 0.00 H new ATOM 0 HA ILE B 31 0.453 -0.281 -5.115 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.692 -0.351 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.805 1.139 -2.254 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.648 1.784 -3.402 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.244 -1.031 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.419 -2.306 -2.186 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.822 -1.311 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.238 2.660 -1.159 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.132 1.660 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE B 31 0.043 1.006 -0.533 1.00 0.00 H new ATOM 785 N ALA B 32 2.675 0.855 -5.304 1.00 0.00 N ATOM 786 CA ALA B 32 3.962 1.505 -5.454 1.00 0.00 C ATOM 787 C ALA B 32 3.827 3.009 -5.300 1.00 0.00 C ATOM 788 O ALA B 32 2.762 3.571 -5.522 1.00 0.00 O ATOM 789 CB ALA B 32 4.576 1.155 -6.801 1.00 0.00 C ATOM 0 H ALA B 32 1.966 1.160 -5.971 1.00 0.00 H new ATOM 0 HA ALA B 32 4.624 1.144 -4.667 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.542 1.650 -6.900 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.712 0.076 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA B 32 3.914 1.488 -7.600 1.00 0.00 H new ATOM 795 N TRP B 33 4.899 3.651 -4.885 1.00 0.00 N ATOM 796 CA TRP B 33 4.899 5.090 -4.709 1.00 0.00 C ATOM 797 C TRP B 33 6.283 5.646 -5.026 1.00 0.00 C ATOM 798 O TRP B 33 7.299 5.090 -4.598 1.00 0.00 O ATOM 799 CB TRP B 33 4.440 5.437 -3.286 1.00 0.00 C ATOM 800 CG TRP B 33 4.650 6.865 -2.878 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.749 7.876 -2.997 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.817 7.437 -2.269 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.277 9.042 -2.516 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.546 8.801 -2.061 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.061 6.934 -1.885 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.472 9.665 -1.484 1.00 0.00 C ATOM 807 CZ3 TRP B 33 7.980 7.791 -1.312 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.680 9.144 -1.116 1.00 0.00 C ATOM 0 H TRP B 33 5.785 3.198 -4.662 1.00 0.00 H new ATOM 0 HA TRP B 33 4.196 5.555 -5.400 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.379 5.202 -3.196 1.00 0.00 H new ATOM 0 HB3 TRP B 33 4.969 4.793 -2.583 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.757 7.773 -3.412 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.803 9.945 -2.499 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.301 5.892 -2.034 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.244 10.710 -1.333 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 8.945 7.411 -1.010 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.419 9.789 -0.664 1.00 0.00 H new ATOM 819 N ALA B 34 6.317 6.724 -5.795 1.00 0.00 N ATOM 820 CA ALA B 34 7.570 7.349 -6.185 1.00 0.00 C ATOM 821 C ALA B 34 7.716 8.715 -5.532 1.00 0.00 C ATOM 822 O ALA B 34 6.822 9.554 -5.628 1.00 0.00 O ATOM 823 CB ALA B 34 7.649 7.477 -7.699 1.00 0.00 C ATOM 0 H ALA B 34 5.485 7.186 -6.163 1.00 0.00 H new ATOM 0 HA ALA B 34 8.389 6.716 -5.844 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.593 7.947 -7.976 1.00 0.00 H new ATOM 0 HB2 ALA B 34 7.590 6.487 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA B 34 6.821 8.089 -8.056 1.00 0.00 H new ATOM 829 N PRO B 35 8.843 8.950 -4.855 1.00 0.00 N ATOM 830 CA PRO B 35 9.105 10.220 -4.188 1.00 0.00 C ATOM 831 C PRO B 35 9.468 11.316 -5.181 1.00 0.00 C ATOM 832 O PRO B 35 10.167 11.069 -6.167 1.00 0.00 O ATOM 833 CB PRO B 35 10.285 9.903 -3.273 1.00 0.00 C ATOM 834 CG PRO B 35 10.993 8.772 -3.936 1.00 0.00 C ATOM 835 CD PRO B 35 9.950 7.994 -4.691 1.00 0.00 C ATOM 0 HA PRO B 35 8.233 10.596 -3.653 1.00 0.00 H new ATOM 0 HB2 PRO B 35 10.940 10.767 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO B 35 9.947 9.626 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO B 35 11.765 9.141 -4.611 1.00 0.00 H new ATOM 0 HG3 PRO B 35 11.489 8.140 -3.199 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.327 7.651 -5.654 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.635 7.109 -4.139 1.00 0.00 H new ATOM 843 N GLU B 36 9.003 12.527 -4.909 1.00 0.00 N ATOM 844 CA GLU B 36 9.263 13.663 -5.782 1.00 0.00 C ATOM 845 C GLU B 36 10.762 13.896 -5.932 1.00 0.00 C ATOM 846 O GLU B 36 11.515 13.862 -4.952 1.00 0.00 O ATOM 847 CB GLU B 36 8.579 14.914 -5.237 1.00 0.00 C ATOM 848 CG GLU B 36 8.218 15.928 -6.309 1.00 0.00 C ATOM 849 CD GLU B 36 6.939 16.668 -5.989 1.00 0.00 C ATOM 850 OE1 GLU B 36 5.871 16.276 -6.508 1.00 0.00 O ATOM 851 OE2 GLU B 36 6.985 17.632 -5.197 1.00 0.00 O ATOM 0 H GLU B 36 8.441 12.749 -4.087 1.00 0.00 H new ATOM 0 HA GLU B 36 8.853 13.442 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.673 14.620 -4.707 1.00 0.00 H new ATOM 0 HB3 GLU B 36 9.236 15.388 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU B 36 9.032 16.644 -6.418 1.00 0.00 H new ATOM 0 HG3 GLU B 36 8.111 15.419 -7.267 1.00 0.00 H new ATOM 858 N GLY B 37 11.192 14.094 -7.167 1.00 0.00 N ATOM 859 CA GLY B 37 12.594 14.325 -7.440 1.00 0.00 C ATOM 860 C GLY B 37 13.335 13.047 -7.775 1.00 0.00 C ATOM 861 O GLY B 37 14.514 13.081 -8.115 1.00 0.00 O ATOM 0 H GLY B 37 10.591 14.099 -7.991 1.00 0.00 H new ATOM 0 HA2 GLY B 37 12.689 15.025 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY B 37 13.058 14.794 -6.572 1.00 0.00 H new ATOM 865 N LYS B 38 12.652 11.914 -7.657 1.00 0.00 N ATOM 866 CA LYS B 38 13.261 10.626 -7.961 1.00 0.00 C ATOM 867 C LYS B 38 12.606 10.002 -9.184 1.00 0.00 C ATOM 868 O LYS B 38 11.448 10.278 -9.488 1.00 0.00 O ATOM 869 CB LYS B 38 13.171 9.676 -6.762 1.00 0.00 C ATOM 870 CG LYS B 38 14.395 9.721 -5.854 1.00 0.00 C ATOM 871 CD LYS B 38 14.514 11.055 -5.129 1.00 0.00 C ATOM 872 CE LYS B 38 13.501 11.168 -4.006 1.00 0.00 C ATOM 873 NZ LYS B 38 13.404 12.551 -3.466 1.00 0.00 N ATOM 0 H LYS B 38 11.679 11.862 -7.354 1.00 0.00 H new ATOM 0 HA LYS B 38 14.316 10.796 -8.179 1.00 0.00 H new ATOM 0 HB2 LYS B 38 12.286 9.926 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.036 8.657 -7.126 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.335 8.914 -5.123 1.00 0.00 H new ATOM 0 HG3 LYS B 38 15.293 9.548 -6.447 1.00 0.00 H new ATOM 0 HD2 LYS B 38 15.521 11.162 -4.725 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.366 11.870 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS B 38 12.523 10.854 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS B 38 13.776 10.486 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 13.141 12.513 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 14.323 13.028 -3.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.680 13.080 -3.993 1.00 0.00 H new ATOM 887 N ASP B 39 13.361 9.164 -9.876 1.00 0.00 N ATOM 888 CA ASP B 39 12.886 8.496 -11.080 1.00 0.00 C ATOM 889 C ASP B 39 12.408 7.080 -10.776 1.00 0.00 C ATOM 890 O ASP B 39 11.765 6.438 -11.605 1.00 0.00 O ATOM 891 CB ASP B 39 14.017 8.434 -12.114 1.00 0.00 C ATOM 892 CG ASP B 39 15.178 7.563 -11.654 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.796 6.884 -12.499 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.477 7.546 -10.436 1.00 0.00 O ATOM 0 H ASP B 39 14.320 8.927 -9.620 1.00 0.00 H new ATOM 0 HA ASP B 39 12.046 9.068 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP B 39 13.625 8.045 -13.054 1.00 0.00 H new ATOM 0 HB3 ASP B 39 14.380 9.443 -12.313 1.00 0.00 H new ATOM 899 N ARG B 40 12.714 6.600 -9.582 1.00 0.00 N ATOM 900 CA ARG B 40 12.343 5.251 -9.191 1.00 0.00 C ATOM 901 C ARG B 40 11.412 5.242 -7.987 1.00 0.00 C ATOM 902 O ARG B 40 11.431 6.158 -7.160 1.00 0.00 O ATOM 903 CB ARG B 40 13.601 4.432 -8.890 1.00 0.00 C ATOM 904 CG ARG B 40 14.538 5.095 -7.892 1.00 0.00 C ATOM 905 CD ARG B 40 15.990 4.786 -8.212 1.00 0.00 C ATOM 906 NE ARG B 40 16.351 5.218 -9.562 1.00 0.00 N ATOM 907 CZ ARG B 40 17.202 4.578 -10.358 1.00 0.00 C ATOM 908 NH1 ARG B 40 17.852 3.503 -9.919 1.00 0.00 N ATOM 909 NH2 ARG B 40 17.403 5.017 -11.593 1.00 0.00 N ATOM 0 H ARG B 40 13.218 7.125 -8.867 1.00 0.00 H new ATOM 0 HA ARG B 40 11.803 4.801 -10.024 1.00 0.00 H new ATOM 0 HB2 ARG B 40 13.305 3.456 -8.504 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.141 4.256 -9.821 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.382 6.174 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.304 4.750 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.636 5.281 -7.487 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.164 3.714 -8.114 1.00 0.00 H new ATOM 0 HE ARG B 40 15.919 6.071 -9.918 1.00 0.00 H new ATOM 0 HH11 ARG B 40 17.698 3.167 -8.968 1.00 0.00 H new ATOM 0 HH12 ARG B 40 18.504 3.015 -10.533 1.00 0.00 H new ATOM 0 HH21 ARG B 40 16.906 5.842 -11.928 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.055 4.530 -12.208 1.00 0.00 H new ATOM 923 N PHE B 41 10.601 4.196 -7.899 1.00 0.00 N ATOM 924 CA PHE B 41 9.658 4.033 -6.803 1.00 0.00 C ATOM 925 C PHE B 41 10.377 3.465 -5.587 1.00 0.00 C ATOM 926 O PHE B 41 10.992 2.404 -5.668 1.00 0.00 O ATOM 927 CB PHE B 41 8.519 3.085 -7.203 1.00 0.00 C ATOM 928 CG PHE B 41 7.904 3.378 -8.545 1.00 0.00 C ATOM 929 CD1 PHE B 41 6.821 4.233 -8.654 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.406 2.789 -9.696 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.249 4.497 -9.885 1.00 0.00 C ATOM 932 CE2 PHE B 41 7.839 3.050 -10.929 1.00 0.00 C ATOM 933 CZ PHE B 41 6.759 3.906 -11.023 1.00 0.00 C ATOM 0 H PHE B 41 10.579 3.440 -8.583 1.00 0.00 H new ATOM 0 HA PHE B 41 9.237 5.010 -6.564 1.00 0.00 H new ATOM 0 HB2 PHE B 41 8.898 2.063 -7.207 1.00 0.00 H new ATOM 0 HB3 PHE B 41 7.740 3.133 -6.442 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.418 4.699 -7.767 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.250 2.119 -9.628 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.404 5.165 -9.956 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.240 2.585 -11.818 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.314 4.112 -11.985 1.00 0.00 H new ATOM 943 N THR B 42 10.312 4.172 -4.472 1.00 0.00 N ATOM 944 CA THR B 42 10.955 3.711 -3.251 1.00 0.00 C ATOM 945 C THR B 42 9.982 2.885 -2.420 1.00 0.00 C ATOM 946 O THR B 42 10.356 2.272 -1.421 1.00 0.00 O ATOM 947 CB THR B 42 11.475 4.892 -2.415 1.00 0.00 C ATOM 948 OG1 THR B 42 10.489 5.931 -2.375 1.00 0.00 O ATOM 949 CG2 THR B 42 12.772 5.438 -2.997 1.00 0.00 C ATOM 0 H THR B 42 9.823 5.063 -4.385 1.00 0.00 H new ATOM 0 HA THR B 42 11.804 3.090 -3.537 1.00 0.00 H new ATOM 0 HB THR B 42 11.672 4.537 -1.404 1.00 0.00 H new ATOM 0 HG1 THR B 42 10.752 6.607 -1.716 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.121 6.273 -2.389 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.528 4.652 -3.002 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.597 5.780 -4.017 1.00 0.00 H new ATOM 957 N ILE B 43 8.726 2.887 -2.841 1.00 0.00 N ATOM 958 CA ILE B 43 7.686 2.144 -2.157 1.00 0.00 C ATOM 959 C ILE B 43 7.117 1.072 -3.074 1.00 0.00 C ATOM 960 O ILE B 43 6.614 1.375 -4.156 1.00 0.00 O ATOM 961 CB ILE B 43 6.550 3.078 -1.678 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.007 3.894 -0.465 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.287 2.292 -1.349 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.437 3.048 0.714 1.00 0.00 C ATOM 0 H ILE B 43 8.404 3.401 -3.661 1.00 0.00 H new ATOM 0 HA ILE B 43 8.133 1.673 -1.282 1.00 0.00 H new ATOM 0 HB ILE B 43 6.312 3.763 -2.492 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.837 4.535 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.194 4.549 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.508 2.978 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE B 43 4.947 1.761 -2.238 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.501 1.574 -0.558 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.747 3.697 1.534 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.603 2.426 1.039 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.272 2.411 0.420 1.00 0.00 H new ATOM 976 N SER B 44 7.240 -0.173 -2.653 1.00 0.00 N ATOM 977 CA SER B 44 6.724 -1.298 -3.409 1.00 0.00 C ATOM 978 C SER B 44 6.288 -2.391 -2.445 1.00 0.00 C ATOM 979 O SER B 44 7.118 -3.121 -1.906 1.00 0.00 O ATOM 980 CB SER B 44 7.788 -1.825 -4.381 1.00 0.00 C ATOM 981 OG SER B 44 7.272 -2.863 -5.200 1.00 0.00 O ATOM 0 H SER B 44 7.699 -0.432 -1.780 1.00 0.00 H new ATOM 0 HA SER B 44 5.865 -0.975 -3.997 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.146 -1.009 -5.008 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.645 -2.195 -3.819 1.00 0.00 H new ATOM 0 HG SER B 44 7.972 -3.177 -5.810 1.00 0.00 H new ATOM 987 N HIS B 45 4.989 -2.487 -2.215 1.00 0.00 N ATOM 988 CA HIS B 45 4.452 -3.490 -1.306 1.00 0.00 C ATOM 989 C HIS B 45 3.405 -4.326 -2.016 1.00 0.00 C ATOM 990 O HIS B 45 2.583 -3.796 -2.765 1.00 0.00 O ATOM 991 CB HIS B 45 3.823 -2.836 -0.068 1.00 0.00 C ATOM 992 CG HIS B 45 4.716 -1.857 0.630 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.669 -2.209 1.561 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.794 -0.509 0.505 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.286 -1.089 1.961 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.792 -0.029 1.348 1.00 0.00 N ATOM 0 H HIS B 45 4.287 -1.884 -2.644 1.00 0.00 H new ATOM 0 HA HIS B 45 5.277 -4.125 -0.984 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.907 -2.326 -0.366 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.538 -3.617 0.637 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.869 -3.154 1.888 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.179 0.096 -0.145 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.083 -1.057 2.689 1.00 0.00 H new ATOM 1004 N MET B 46 3.436 -5.625 -1.795 1.00 0.00 N ATOM 1005 CA MET B 46 2.471 -6.511 -2.413 1.00 0.00 C ATOM 1006 C MET B 46 1.229 -6.577 -1.543 1.00 0.00 C ATOM 1007 O MET B 46 1.327 -6.596 -0.321 1.00 0.00 O ATOM 1008 CB MET B 46 3.054 -7.916 -2.596 1.00 0.00 C ATOM 1009 CG MET B 46 4.010 -8.045 -3.770 1.00 0.00 C ATOM 1010 SD MET B 46 3.181 -8.544 -5.297 1.00 0.00 S ATOM 1011 CE MET B 46 2.494 -10.126 -4.806 1.00 0.00 C ATOM 0 H MET B 46 4.117 -6.089 -1.194 1.00 0.00 H new ATOM 0 HA MET B 46 2.215 -6.121 -3.398 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.576 -8.202 -1.683 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.235 -8.623 -2.729 1.00 0.00 H new ATOM 0 HG2 MET B 46 4.513 -7.091 -3.930 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.782 -8.775 -3.526 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.450 -10.788 -5.671 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.124 -10.574 -4.038 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.489 -9.979 -4.410 1.00 0.00 H new ATOM 1021 N TYR B 47 0.065 -6.593 -2.175 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.210 -6.674 -1.449 1.00 0.00 C ATOM 1023 C TYR B 47 -1.249 -7.924 -0.572 1.00 0.00 C ATOM 1024 O TYR B 47 -1.965 -7.972 0.424 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.363 -6.695 -2.452 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.405 -5.464 -3.325 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.060 -4.221 -2.812 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.778 -5.542 -4.656 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.088 -3.091 -3.601 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.809 -4.414 -5.452 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.464 -3.192 -4.917 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.487 -2.067 -5.705 1.00 0.00 O ATOM 0 H TYR B 47 -0.031 -6.551 -3.190 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.308 -5.802 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.273 -7.579 -3.083 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.306 -6.784 -1.912 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.764 -4.138 -1.777 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.049 -6.499 -5.078 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.816 -2.132 -3.186 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.102 -4.489 -6.489 1.00 0.00 H new ATOM 0 HH TYR B 47 -2.095 -2.272 -6.579 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.442 -8.914 -0.937 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.376 -10.168 -0.201 1.00 0.00 C ATOM 1044 C ALA B 48 0.327 -10.004 1.146 1.00 0.00 C ATOM 1045 O ALA B 48 0.146 -10.829 2.035 1.00 0.00 O ATOM 1046 CB ALA B 48 0.330 -11.226 -1.037 1.00 0.00 C ATOM 0 H ALA B 48 0.179 -8.870 -1.745 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.399 -10.487 0.001 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.375 -12.161 -0.478 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.220 -11.384 -1.965 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.342 -10.892 -1.267 1.00 0.00 H new ATOM 1052 N ASP B 49 1.124 -8.941 1.289 1.00 0.00 N ATOM 1053 CA ASP B 49 1.851 -8.676 2.526 1.00 0.00 C ATOM 1054 C ASP B 49 1.107 -7.653 3.366 1.00 0.00 C ATOM 1055 O ASP B 49 1.465 -7.393 4.520 1.00 0.00 O ATOM 1056 CB ASP B 49 3.237 -8.105 2.265 1.00 0.00 C ATOM 1057 CG ASP B 49 3.870 -8.540 0.955 1.00 0.00 C ATOM 1058 OD1 ASP B 49 3.954 -9.757 0.695 1.00 0.00 O ATOM 1059 OD2 ASP B 49 4.292 -7.645 0.182 1.00 0.00 O ATOM 0 H ASP B 49 1.280 -8.249 0.557 1.00 0.00 H new ATOM 0 HA ASP B 49 1.936 -9.633 3.040 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.174 -7.017 2.278 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.894 -8.396 3.084 1.00 0.00 H new ATOM 1064 N ILE B 50 0.081 -7.060 2.791 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.697 -6.070 3.506 1.00 0.00 C ATOM 1066 C ILE B 50 -1.791 -6.796 4.282 1.00 0.00 C ATOM 1067 O ILE B 50 -2.530 -7.589 3.708 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.346 -5.045 2.552 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.440 -4.753 1.346 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.678 -3.762 3.294 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.688 -3.784 1.621 1.00 0.00 C ATOM 0 H ILE B 50 -0.232 -7.244 1.838 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.032 -5.522 4.173 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.272 -5.479 2.176 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.015 -5.693 0.992 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.053 -4.356 0.537 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.135 -3.051 2.605 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.373 -3.980 4.105 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.764 -3.333 3.705 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.273 -3.640 0.713 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.276 -2.828 1.943 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.329 -4.185 2.406 1.00 0.00 H new ATOM 1083 N LYS B 51 -1.894 -6.537 5.573 1.00 0.00 N ATOM 1084 CA LYS B 51 -2.894 -7.203 6.391 1.00 0.00 C ATOM 1085 C LYS B 51 -4.188 -6.411 6.364 1.00 0.00 C ATOM 1086 O LYS B 51 -5.268 -6.953 6.152 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.403 -7.342 7.830 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.453 -7.888 8.780 1.00 0.00 C ATOM 1089 CD LYS B 51 -3.398 -7.175 10.114 1.00 0.00 C ATOM 1090 CE LYS B 51 -4.656 -7.416 10.936 1.00 0.00 C ATOM 1091 NZ LYS B 51 -4.627 -8.740 11.617 1.00 0.00 N ATOM 0 H LYS B 51 -1.303 -5.875 6.076 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.070 -8.199 5.985 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.533 -7.999 7.846 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.073 -6.367 8.188 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.443 -7.770 8.341 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.295 -8.956 8.927 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -2.527 -7.517 10.673 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.271 -6.105 9.949 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -4.760 -6.627 11.680 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -5.530 -7.360 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -5.501 -8.867 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.553 -9.495 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -3.807 -8.784 12.255 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.055 -5.118 6.550 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.184 -4.228 6.569 1.00 0.00 C ATOM 1107 C CYS B 52 -4.728 -2.838 6.172 1.00 0.00 C ATOM 1108 O CYS B 52 -3.555 -2.631 5.856 1.00 0.00 O ATOM 1109 CB CYS B 52 -5.835 -4.221 7.956 1.00 0.00 C ATOM 1110 SG CYS B 52 -4.695 -3.960 9.332 1.00 0.00 S ATOM 0 H CYS B 52 -3.157 -4.656 6.692 1.00 0.00 H new ATOM 0 HA CYS B 52 -5.933 -4.571 5.855 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.595 -3.440 7.980 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.349 -5.171 8.105 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.356 -3.971 10.451 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.636 -1.888 6.180 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.293 -0.537 5.802 1.00 0.00 C ATOM 1118 C GLN B 53 -6.069 0.473 6.644 1.00 0.00 C ATOM 1119 O GLN B 53 -7.229 0.236 6.994 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.609 -0.313 4.329 1.00 0.00 C ATOM 1121 CG GLN B 53 -7.098 -0.264 4.031 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.399 -0.317 2.555 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.375 0.701 1.870 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -7.706 -1.503 2.060 1.00 0.00 N ATOM 0 H GLN B 53 -6.612 -2.025 6.443 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.226 -0.395 5.974 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.150 0.621 4.005 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.155 -1.111 3.742 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.591 -1.099 4.528 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.518 0.650 4.451 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.713 -2.323 2.667 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -7.936 -1.599 1.071 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.437 1.582 6.991 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.122 2.623 7.739 1.00 0.00 C ATOM 1135 C LYS B 54 -6.267 3.858 6.878 1.00 0.00 C ATOM 1136 O LYS B 54 -5.469 4.091 5.975 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.369 3.060 8.992 1.00 0.00 C ATOM 1138 CG LYS B 54 -5.280 2.060 10.112 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.809 2.771 11.368 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.456 1.814 12.495 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.848 0.550 11.988 1.00 0.00 N ATOM 0 H LYS B 54 -4.462 1.784 6.770 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.082 2.196 8.029 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.355 3.335 8.701 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.846 3.961 9.378 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.252 1.597 10.283 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.588 1.260 9.849 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.937 3.380 11.129 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.589 3.452 11.708 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -3.761 2.301 13.179 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.354 1.580 13.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -3.485 -0.006 12.788 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.568 -0.003 11.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -3.066 0.776 11.340 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.284 4.641 7.160 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.491 5.892 6.469 1.00 0.00 C ATOM 1157 C ILE B 55 -7.707 6.956 7.537 1.00 0.00 C ATOM 1158 O ILE B 55 -8.504 6.766 8.458 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.674 5.854 5.450 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.008 6.274 6.070 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.815 4.463 4.846 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.953 6.896 5.062 1.00 0.00 C ATOM 0 H ILE B 55 -7.986 4.430 7.870 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.616 6.114 5.858 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.430 6.577 4.672 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.485 5.403 6.519 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.822 6.986 6.874 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.644 4.456 4.139 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.894 4.196 4.328 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -9.008 3.740 5.639 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.883 7.174 5.558 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.492 7.785 4.631 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.165 6.177 4.271 1.00 0.00 H new ATOM 1174 N SER B 56 -6.948 8.033 7.481 1.00 0.00 N ATOM 1175 CA SER B 56 -7.095 9.072 8.470 1.00 0.00 C ATOM 1176 C SER B 56 -8.169 10.035 8.004 1.00 0.00 C ATOM 1177 O SER B 56 -8.059 10.638 6.916 1.00 0.00 O ATOM 1178 CB SER B 56 -5.771 9.787 8.748 1.00 0.00 C ATOM 1179 OG SER B 56 -5.592 10.914 7.917 1.00 0.00 O ATOM 0 H SER B 56 -6.236 8.207 6.772 1.00 0.00 H new ATOM 0 HA SER B 56 -7.397 8.626 9.418 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.740 10.098 9.792 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.945 9.091 8.598 1.00 0.00 H new ATOM 0 HG SER B 56 -4.776 11.388 8.180 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.217 10.148 8.831 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.399 10.979 8.578 1.00 0.00 C ATOM 1187 C PRO B 57 -10.133 12.471 8.666 1.00 0.00 C ATOM 1188 O PRO B 57 -9.038 12.913 9.025 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.356 10.562 9.698 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.455 10.154 10.807 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.306 9.469 10.137 1.00 0.00 C ATOM 0 HA PRO B 57 -10.774 10.828 7.566 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.006 11.385 9.994 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.002 9.741 9.386 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.120 11.017 11.382 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.962 9.486 11.503 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.385 9.577 10.709 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.487 8.400 10.023 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.151 13.232 8.297 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.101 14.678 8.341 1.00 0.00 C ATOM 1201 C GLU B 58 -10.892 15.147 9.779 1.00 0.00 C ATOM 1202 O GLU B 58 -11.167 14.414 10.731 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.392 15.272 7.761 1.00 0.00 C ATOM 1204 CG GLU B 58 -12.555 15.065 6.256 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.561 13.601 5.849 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -13.185 12.785 6.557 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -11.918 13.258 4.835 1.00 0.00 O ATOM 0 H GLU B 58 -12.038 12.859 7.958 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.263 15.024 7.736 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.245 14.827 8.272 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.415 16.341 7.974 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.486 15.529 5.931 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -11.745 15.576 5.736 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.432 16.372 9.929 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.152 16.911 11.243 1.00 0.00 C ATOM 1216 C GLY B 59 -8.672 17.144 11.393 1.00 0.00 C ATOM 1217 O GLY B 59 -8.235 18.035 12.121 1.00 0.00 O ATOM 0 H GLY B 59 -10.244 17.012 9.158 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.693 17.846 11.385 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.501 16.221 12.011 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.901 16.334 10.682 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.459 16.470 10.660 1.00 0.00 C ATOM 1223 C LYS B 60 -6.100 17.495 9.611 1.00 0.00 C ATOM 1224 O LYS B 60 -6.915 17.814 8.741 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.777 15.135 10.332 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.447 14.292 11.552 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.490 13.152 11.212 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.874 12.534 12.464 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.379 13.167 13.712 1.00 0.00 N ATOM 0 H LYS B 60 -8.258 15.570 10.109 1.00 0.00 H new ATOM 0 HA LYS B 60 -6.114 16.784 11.645 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.426 14.560 9.671 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.858 15.334 9.782 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.001 14.924 12.320 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.366 13.882 11.970 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -5.024 12.384 10.653 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.697 13.525 10.563 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.094 11.467 12.486 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.790 12.635 12.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -4.054 12.620 14.535 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -4.018 14.140 13.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.419 13.184 13.696 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.890 18.005 9.677 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.445 18.992 8.714 1.00 0.00 C ATOM 1245 C ALA B 61 -4.138 18.338 7.393 1.00 0.00 C ATOM 1246 O ALA B 61 -3.835 19.004 6.406 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.221 19.702 9.227 1.00 0.00 C ATOM 0 H ALA B 61 -4.198 17.755 10.384 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.245 19.718 8.570 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -2.896 20.441 8.495 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.457 20.201 10.167 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.423 18.978 9.391 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.205 17.027 7.382 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.936 16.287 6.188 1.00 0.00 C ATOM 1255 C LYS B 62 -4.796 15.033 6.137 1.00 0.00 C ATOM 1256 O LYS B 62 -5.277 14.555 7.164 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.457 15.906 6.110 1.00 0.00 C ATOM 1258 CG LYS B 62 -2.137 14.534 6.683 1.00 0.00 C ATOM 1259 CD LYS B 62 -2.149 14.529 8.201 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.851 15.069 8.762 1.00 0.00 C ATOM 1261 NZ LYS B 62 -0.886 16.548 8.910 1.00 0.00 N ATOM 0 H LYS B 62 -4.445 16.457 8.193 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.179 16.920 5.334 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.140 15.935 5.068 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.871 16.656 6.642 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.863 13.810 6.313 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.158 14.213 6.328 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -2.983 15.131 8.562 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -2.309 13.513 8.562 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.656 14.611 9.732 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.027 14.789 8.106 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 0.015 16.951 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.666 16.935 8.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.031 16.793 9.910 1.00 0.00 H new ATOM 1275 N ILE B 63 -4.991 14.521 4.945 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.744 13.302 4.749 1.00 0.00 C ATOM 1277 C ILE B 63 -4.731 12.168 4.656 1.00 0.00 C ATOM 1278 O ILE B 63 -3.722 12.317 3.976 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.605 13.396 3.472 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.803 14.320 3.712 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.078 12.027 3.033 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.521 15.790 3.463 1.00 0.00 C ATOM 0 H ILE B 63 -4.634 14.936 4.084 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.433 13.127 5.575 1.00 0.00 H new ATOM 0 HB ILE B 63 -5.989 13.812 2.675 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.624 14.006 3.067 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.141 14.197 4.741 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.682 12.123 2.131 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.216 11.393 2.826 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.677 11.578 3.825 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.423 16.371 3.657 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.724 16.125 4.127 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.214 15.931 2.427 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.950 11.050 5.337 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.935 9.990 5.305 1.00 0.00 C ATOM 1296 C GLN B 64 -4.488 8.601 5.106 1.00 0.00 C ATOM 1297 O GLN B 64 -5.681 8.349 5.235 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.109 9.971 6.587 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.287 11.215 6.826 1.00 0.00 C ATOM 1300 CD GLN B 64 -1.560 11.169 8.152 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -2.110 10.427 9.106 1.00 0.00 O flip ATOM 1302 NE2 GLN B 64 -0.518 11.800 8.319 1.00 0.00 N flip ATOM 0 H GLN B 64 -5.780 10.852 5.896 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.323 10.241 4.439 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.780 9.827 7.434 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.441 9.110 6.560 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.563 11.331 6.020 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -2.937 12.090 6.799 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -0.132 12.357 7.557 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -0.040 11.766 9.219 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.582 7.723 4.734 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.861 6.321 4.550 1.00 0.00 C ATOM 1313 C LEU B 65 -2.654 5.546 5.062 1.00 0.00 C ATOM 1314 O LEU B 65 -1.562 6.090 5.087 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.056 6.003 3.076 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.942 4.802 2.779 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.381 5.243 2.610 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.445 4.064 1.555 1.00 0.00 C ATOM 0 H LEU B 65 -2.611 7.972 4.548 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.771 6.051 5.086 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.483 6.878 2.586 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.078 5.832 2.626 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.896 4.113 3.622 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -7.005 4.375 2.398 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.725 5.722 3.527 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.450 5.950 1.783 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.091 3.208 1.359 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.459 4.734 0.695 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.426 3.717 1.728 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.824 4.314 5.505 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.678 3.547 5.973 1.00 0.00 C ATOM 1332 C GLN B 66 -1.843 2.068 5.667 1.00 0.00 C ATOM 1333 O GLN B 66 -2.933 1.510 5.784 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.421 3.765 7.474 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.144 2.791 8.389 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.708 2.894 9.842 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.768 1.917 10.590 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.280 4.073 10.259 1.00 0.00 N ATOM 0 H GLN B 66 -3.720 3.830 5.552 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.806 3.912 5.431 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.350 3.690 7.660 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.720 4.780 7.737 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.217 2.972 8.325 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.970 1.774 8.036 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.244 4.860 9.612 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.986 4.195 11.228 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.752 1.453 5.257 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.732 0.041 4.940 1.00 0.00 C ATOM 1349 C LEU B 67 -0.284 -0.750 6.152 1.00 0.00 C ATOM 1350 O LEU B 67 0.894 -0.758 6.491 1.00 0.00 O ATOM 1351 CB LEU B 67 0.230 -0.237 3.791 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.096 0.441 2.465 1.00 0.00 C ATOM 1353 CD1 LEU B 67 0.989 0.127 1.452 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.456 -0.006 1.952 1.00 0.00 C ATOM 0 H LEU B 67 0.147 1.920 5.134 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.739 -0.258 4.648 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.229 0.072 4.098 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.266 -1.314 3.626 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.135 1.519 2.619 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.754 0.613 0.505 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.947 0.494 1.820 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.046 -0.951 1.303 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.669 0.490 1.005 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.452 -1.086 1.803 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.224 0.257 2.680 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.215 -1.398 6.807 1.00 0.00 N ATOM 1367 CA VAL B 68 -0.896 -2.188 7.977 1.00 0.00 C ATOM 1368 C VAL B 68 -0.607 -3.614 7.547 1.00 0.00 C ATOM 1369 O VAL B 68 -1.493 -4.327 7.090 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.043 -2.147 8.994 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.584 -2.646 10.348 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.583 -0.734 9.101 1.00 0.00 C ATOM 0 H VAL B 68 -2.203 -1.396 6.552 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.014 -1.771 8.463 1.00 0.00 H new ATOM 0 HB VAL B 68 -2.839 -2.806 8.649 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.416 -2.607 11.051 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.234 -3.674 10.257 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.772 -2.017 10.711 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.398 -0.710 9.825 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.787 -0.064 9.428 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -2.952 -0.411 8.128 1.00 0.00 H new ATOM 1382 N LEU B 69 0.638 -4.019 7.679 1.00 0.00 N ATOM 1383 CA LEU B 69 1.057 -5.342 7.248 1.00 0.00 C ATOM 1384 C LEU B 69 1.021 -6.356 8.374 1.00 0.00 C ATOM 1385 O LEU B 69 1.091 -6.003 9.550 1.00 0.00 O ATOM 1386 CB LEU B 69 2.471 -5.268 6.684 1.00 0.00 C ATOM 1387 CG LEU B 69 2.790 -3.973 5.946 1.00 0.00 C ATOM 1388 CD1 LEU B 69 4.233 -3.954 5.514 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.888 -3.806 4.746 1.00 0.00 C ATOM 0 H LEU B 69 1.383 -3.451 8.083 1.00 0.00 H new ATOM 0 HA LEU B 69 0.354 -5.673 6.484 1.00 0.00 H new ATOM 0 HB2 LEU B 69 3.182 -5.390 7.502 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.621 -6.106 6.003 1.00 0.00 H new ATOM 0 HG LEU B 69 2.617 -3.142 6.629 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.443 -3.022 4.989 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.876 -4.029 6.391 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.425 -4.796 4.850 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.133 -2.875 4.234 1.00 0.00 H new ATOM 0 HD22 LEU B 69 2.031 -4.644 4.064 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.849 -3.778 5.073 1.00 0.00 H new ATOM 1401 N HIS B 70 0.931 -7.627 7.999 1.00 0.00 N ATOM 1402 CA HIS B 70 0.921 -8.712 8.974 1.00 0.00 C ATOM 1403 C HIS B 70 2.347 -8.973 9.433 1.00 0.00 C ATOM 1404 O HIS B 70 2.600 -9.782 10.320 1.00 0.00 O ATOM 1405 CB HIS B 70 0.311 -10.000 8.397 1.00 0.00 C ATOM 1406 CG HIS B 70 0.321 -10.076 6.900 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -0.773 -9.795 6.119 1.00 0.00 N ATOM 1408 CD2 HIS B 70 1.323 -10.390 6.033 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.408 -9.934 4.845 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.847 -10.304 4.749 1.00 0.00 N ATOM 0 H HIS B 70 0.864 -7.932 7.028 1.00 0.00 H new ATOM 0 HA HIS B 70 0.299 -8.410 9.817 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.857 -10.855 8.795 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -0.718 -10.088 8.746 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.699 -9.528 6.454 1.00 0.00 H new ATOM 0 HD2 HIS B 70 2.330 -10.663 6.311 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.060 -9.764 4.001 1.00 0.00 H new ATOM 1418 N ALA B 71 3.267 -8.259 8.799 1.00 0.00 N ATOM 1419 CA ALA B 71 4.684 -8.356 9.097 1.00 0.00 C ATOM 1420 C ALA B 71 5.024 -7.565 10.357 1.00 0.00 C ATOM 1421 O ALA B 71 6.153 -7.604 10.839 1.00 0.00 O ATOM 1422 CB ALA B 71 5.481 -7.830 7.911 1.00 0.00 C ATOM 0 H ALA B 71 3.047 -7.593 8.059 1.00 0.00 H new ATOM 0 HA ALA B 71 4.942 -9.400 9.275 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.547 -7.900 8.129 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.252 -8.424 7.026 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.216 -6.789 7.728 1.00 0.00 H new ATOM 1428 N GLY B 72 4.033 -6.851 10.882 1.00 0.00 N ATOM 1429 CA GLY B 72 4.243 -6.046 12.068 1.00 0.00 C ATOM 1430 C GLY B 72 4.740 -4.664 11.710 1.00 0.00 C ATOM 1431 O GLY B 72 5.318 -3.963 12.539 1.00 0.00 O ATOM 0 H GLY B 72 3.086 -6.817 10.505 1.00 0.00 H new ATOM 0 HA2 GLY B 72 3.310 -5.966 12.627 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.965 -6.537 12.721 1.00 0.00 H new ATOM 1435 N ASP B 73 4.496 -4.278 10.467 1.00 0.00 N ATOM 1436 CA ASP B 73 4.925 -2.982 9.959 1.00 0.00 C ATOM 1437 C ASP B 73 3.742 -2.224 9.370 1.00 0.00 C ATOM 1438 O ASP B 73 2.724 -2.828 9.018 1.00 0.00 O ATOM 1439 CB ASP B 73 6.016 -3.172 8.898 1.00 0.00 C ATOM 1440 CG ASP B 73 6.432 -1.868 8.241 1.00 0.00 C ATOM 1441 OD1 ASP B 73 6.405 -1.797 6.996 1.00 0.00 O ATOM 1442 OD2 ASP B 73 6.763 -0.913 8.974 1.00 0.00 O ATOM 0 H ASP B 73 3.998 -4.850 9.785 1.00 0.00 H new ATOM 0 HA ASP B 73 5.332 -2.398 10.785 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.888 -3.635 9.359 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.656 -3.860 8.133 1.00 0.00 H new ATOM 1447 N THR B 74 3.872 -0.911 9.273 1.00 0.00 N ATOM 1448 CA THR B 74 2.819 -0.075 8.727 1.00 0.00 C ATOM 1449 C THR B 74 3.411 0.985 7.797 1.00 0.00 C ATOM 1450 O THR B 74 4.359 1.681 8.157 1.00 0.00 O ATOM 1451 CB THR B 74 2.034 0.632 9.851 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.944 1.200 10.802 1.00 0.00 O ATOM 1453 CG2 THR B 74 1.102 -0.337 10.562 1.00 0.00 C ATOM 0 H THR B 74 4.704 -0.399 9.568 1.00 0.00 H new ATOM 0 HA THR B 74 2.141 -0.721 8.169 1.00 0.00 H new ATOM 0 HB THR B 74 1.435 1.421 9.397 1.00 0.00 H new ATOM 0 HG1 THR B 74 3.702 1.603 10.329 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.562 0.189 11.349 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.390 -0.749 9.846 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.685 -1.147 11.001 1.00 0.00 H new ATOM 1461 N THR B 75 2.840 1.113 6.614 1.00 0.00 N ATOM 1462 CA THR B 75 3.297 2.088 5.639 1.00 0.00 C ATOM 1463 C THR B 75 2.307 3.249 5.555 1.00 0.00 C ATOM 1464 O THR B 75 1.263 3.131 4.918 1.00 0.00 O ATOM 1465 CB THR B 75 3.445 1.430 4.254 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.041 0.133 4.395 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.295 2.291 3.332 1.00 0.00 C ATOM 0 H THR B 75 2.050 0.548 6.302 1.00 0.00 H new ATOM 0 HA THR B 75 4.268 2.468 5.956 1.00 0.00 H new ATOM 0 HB THR B 75 2.454 1.330 3.812 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.132 -0.283 3.512 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.385 1.805 2.360 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.824 3.266 3.208 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.286 2.420 3.766 1.00 0.00 H new ATOM 1475 N ASN B 76 2.627 4.367 6.195 1.00 0.00 N ATOM 1476 CA ASN B 76 1.718 5.512 6.197 1.00 0.00 C ATOM 1477 C ASN B 76 1.913 6.388 4.968 1.00 0.00 C ATOM 1478 O ASN B 76 3.039 6.647 4.541 1.00 0.00 O ATOM 1479 CB ASN B 76 1.881 6.354 7.469 1.00 0.00 C ATOM 1480 CG ASN B 76 1.341 5.661 8.709 1.00 0.00 C ATOM 1481 OD1 ASN B 76 1.340 4.432 8.801 1.00 0.00 O ATOM 1482 ND2 ASN B 76 0.864 6.441 9.667 1.00 0.00 N ATOM 0 H ASN B 76 3.495 4.507 6.713 1.00 0.00 H new ATOM 0 HA ASN B 76 0.706 5.108 6.173 1.00 0.00 H new ATOM 0 HB2 ASN B 76 2.937 6.580 7.616 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.366 7.306 7.337 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.479 6.028 10.517 1.00 0.00 H new ATOM 0 HD22 ASN B 76 0.882 7.455 9.555 1.00 0.00 H new ATOM 1489 N PHE B 77 0.795 6.823 4.406 1.00 0.00 N ATOM 1490 CA PHE B 77 0.775 7.675 3.232 1.00 0.00 C ATOM 1491 C PHE B 77 0.017 8.960 3.537 1.00 0.00 C ATOM 1492 O PHE B 77 -1.200 8.951 3.741 1.00 0.00 O ATOM 1493 CB PHE B 77 0.126 6.952 2.052 1.00 0.00 C ATOM 1494 CG PHE B 77 1.014 5.921 1.422 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.076 6.304 0.619 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.787 4.571 1.627 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.896 5.360 0.035 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.604 3.622 1.045 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.660 4.019 0.248 1.00 0.00 C ATOM 0 H PHE B 77 -0.133 6.590 4.758 1.00 0.00 H new ATOM 0 HA PHE B 77 1.803 7.920 2.963 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.792 6.472 2.391 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.158 7.686 1.298 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.264 7.354 0.448 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.038 4.257 2.249 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.721 5.672 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.418 2.571 1.213 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.301 3.279 -0.208 1.00 0.00 H new ATOM 1509 N HIS B 78 0.751 10.050 3.574 1.00 0.00 N ATOM 1510 CA HIS B 78 0.207 11.366 3.859 1.00 0.00 C ATOM 1511 C HIS B 78 -0.262 12.034 2.564 1.00 0.00 C ATOM 1512 O HIS B 78 0.548 12.495 1.771 1.00 0.00 O ATOM 1513 CB HIS B 78 1.310 12.188 4.552 1.00 0.00 C ATOM 1514 CG HIS B 78 1.010 13.635 4.836 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.394 14.267 5.998 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.432 14.597 4.067 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.056 15.557 5.900 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.469 15.810 4.748 1.00 0.00 N ATOM 0 H HIS B 78 1.757 10.051 3.405 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.661 11.295 4.515 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.552 11.701 5.497 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.205 12.143 3.932 1.00 0.00 H new ATOM 0 HD2 HIS B 78 0.011 14.444 3.084 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.240 16.296 6.666 1.00 0.00 H new ATOM 0 HE2 HIS B 78 0.115 16.709 4.422 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.567 12.067 2.348 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.124 12.697 1.156 1.00 0.00 C ATOM 1528 C PHE B 79 -2.057 14.216 1.308 1.00 0.00 C ATOM 1529 O PHE B 79 -2.891 14.816 1.990 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.576 12.260 0.945 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.735 10.870 0.396 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.923 10.674 -0.958 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.712 9.764 1.233 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -4.087 9.404 -1.472 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -3.873 8.488 0.721 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.063 8.311 -0.638 1.00 0.00 C ATOM 0 H PHE B 79 -2.261 11.667 2.979 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.541 12.389 0.288 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.103 12.324 1.897 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -4.059 12.963 0.266 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -3.942 11.525 -1.623 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -3.567 9.900 2.295 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.235 9.268 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.850 7.633 1.381 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.192 7.318 -1.042 1.00 0.00 H new ATOM 1546 N SER B 80 -1.063 14.834 0.686 1.00 0.00 N ATOM 1547 CA SER B 80 -0.882 16.276 0.784 1.00 0.00 C ATOM 1548 C SER B 80 -1.505 17.028 -0.394 1.00 0.00 C ATOM 1549 O SER B 80 -1.469 18.258 -0.433 1.00 0.00 O ATOM 1550 CB SER B 80 0.611 16.601 0.912 1.00 0.00 C ATOM 1551 OG SER B 80 1.408 15.624 0.257 1.00 0.00 O ATOM 0 H SER B 80 -0.369 14.360 0.108 1.00 0.00 H new ATOM 0 HA SER B 80 -1.406 16.616 1.677 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.810 17.583 0.483 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.886 16.651 1.966 1.00 0.00 H new ATOM 0 HG SER B 80 2.259 16.026 -0.016 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.078 16.304 -1.352 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.706 16.950 -2.504 1.00 0.00 C ATOM 1559 C ASN B 81 -4.094 17.460 -2.132 1.00 0.00 C ATOM 1560 O ASN B 81 -5.083 16.752 -2.276 1.00 0.00 O ATOM 1561 CB ASN B 81 -2.801 15.991 -3.697 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.098 16.707 -5.008 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.530 16.089 -5.985 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -2.873 18.015 -5.048 1.00 0.00 N ATOM 0 H ASN B 81 -2.121 15.285 -1.356 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.081 17.794 -2.796 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -1.864 15.443 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.582 15.256 -3.505 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -3.058 18.538 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -2.516 18.496 -4.223 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.146 18.708 -1.688 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.388 19.364 -1.261 1.00 0.00 C ATOM 1573 C GLU B 82 -6.544 19.163 -2.252 1.00 0.00 C ATOM 1574 O GLU B 82 -7.694 18.980 -1.847 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.129 20.867 -1.041 1.00 0.00 C ATOM 1576 CG GLU B 82 -4.829 21.668 -2.313 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.710 21.072 -3.151 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -4.002 20.558 -4.253 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.553 21.075 -2.694 1.00 0.00 O ATOM 0 H GLU B 82 -3.323 19.305 -1.611 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.696 18.895 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -6.001 21.303 -0.553 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -4.290 20.979 -0.354 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.734 21.728 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.562 22.688 -2.037 1.00 0.00 H new ATOM 1586 N SER B 83 -6.223 19.183 -3.537 1.00 0.00 N ATOM 1587 CA SER B 83 -7.205 19.025 -4.598 1.00 0.00 C ATOM 1588 C SER B 83 -8.056 17.766 -4.453 1.00 0.00 C ATOM 1589 O SER B 83 -9.288 17.847 -4.356 1.00 0.00 O ATOM 1590 CB SER B 83 -6.494 19.015 -5.953 1.00 0.00 C ATOM 1591 OG SER B 83 -5.783 20.224 -6.170 1.00 0.00 O ATOM 0 H SER B 83 -5.269 19.310 -3.874 1.00 0.00 H new ATOM 0 HA SER B 83 -7.888 19.872 -4.527 1.00 0.00 H new ATOM 0 HB2 SER B 83 -5.805 18.172 -5.998 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.225 18.872 -6.749 1.00 0.00 H new ATOM 0 HG SER B 83 -4.938 20.200 -5.674 1.00 0.00 H new ATOM 1597 N THR B 84 -7.431 16.604 -4.442 1.00 0.00 N ATOM 1598 CA THR B 84 -8.199 15.376 -4.383 1.00 0.00 C ATOM 1599 C THR B 84 -7.789 14.409 -3.270 1.00 0.00 C ATOM 1600 O THR B 84 -8.300 13.304 -3.237 1.00 0.00 O ATOM 1601 CB THR B 84 -8.124 14.687 -5.756 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.763 14.646 -6.212 1.00 0.00 O ATOM 1603 CG2 THR B 84 -8.962 15.461 -6.762 1.00 0.00 C ATOM 0 H THR B 84 -6.418 16.485 -4.472 1.00 0.00 H new ATOM 0 HA THR B 84 -9.222 15.657 -4.134 1.00 0.00 H new ATOM 0 HB THR B 84 -8.505 13.670 -5.662 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.164 14.533 -5.445 1.00 0.00 H new ATOM 0 HG21 THR B 84 -8.908 14.971 -7.734 1.00 0.00 H new ATOM 0 HG22 THR B 84 -9.999 15.489 -6.427 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.581 16.479 -6.847 1.00 0.00 H new ATOM 1611 N ALA B 85 -6.930 14.839 -2.343 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.439 13.974 -1.249 1.00 0.00 C ATOM 1613 C ALA B 85 -7.529 13.125 -0.598 1.00 0.00 C ATOM 1614 O ALA B 85 -7.347 11.928 -0.413 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.743 14.803 -0.181 1.00 0.00 C ATOM 0 H ALA B 85 -6.553 15.787 -2.322 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.734 13.285 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.389 14.148 0.615 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.896 15.328 -0.622 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.444 15.528 0.231 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.644 13.743 -0.236 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.748 13.019 0.392 1.00 0.00 C ATOM 1623 C VAL B 86 -10.259 11.898 -0.525 1.00 0.00 C ATOM 1624 O VAL B 86 -10.329 10.738 -0.127 1.00 0.00 O ATOM 1625 CB VAL B 86 -10.898 13.993 0.764 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.263 13.314 0.717 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.670 14.587 2.140 1.00 0.00 C ATOM 0 H VAL B 86 -8.811 14.741 -0.364 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.377 12.561 1.309 1.00 0.00 H new ATOM 0 HB VAL B 86 -10.894 14.789 0.019 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.037 14.034 0.984 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.448 12.939 -0.290 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.281 12.483 1.423 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.487 15.267 2.383 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.632 13.787 2.880 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.727 15.134 2.148 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.563 12.255 -1.768 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.061 11.300 -2.759 1.00 0.00 C ATOM 1639 C LYS B 87 -9.967 10.301 -3.118 1.00 0.00 C ATOM 1640 O LYS B 87 -10.239 9.133 -3.379 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.520 12.058 -4.012 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.323 13.319 -3.707 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.752 14.535 -4.427 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.432 15.824 -3.984 1.00 0.00 C ATOM 1645 NZ LYS B 87 -11.867 17.021 -4.669 1.00 0.00 N ATOM 0 H LYS B 87 -10.473 13.209 -2.119 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.906 10.753 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.645 12.329 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.126 11.392 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.361 13.172 -4.007 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.324 13.499 -2.632 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.682 14.603 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.874 14.411 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.500 15.759 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.323 15.939 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.393 17.869 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -10.865 17.128 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -11.948 16.902 -5.699 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.733 10.781 -3.135 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.582 9.948 -3.421 1.00 0.00 C ATOM 1661 C GLU B 88 -7.439 8.910 -2.320 1.00 0.00 C ATOM 1662 O GLU B 88 -7.280 7.726 -2.597 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.329 10.817 -3.563 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.087 11.275 -4.994 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.029 12.354 -5.114 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -5.221 13.444 -4.543 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -4.025 12.137 -5.824 1.00 0.00 O ATOM 0 H GLU B 88 -8.505 11.758 -2.951 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.717 9.424 -4.367 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.423 11.691 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.462 10.256 -3.215 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.789 10.417 -5.596 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.023 11.647 -5.411 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.536 9.365 -1.069 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.475 8.481 0.093 1.00 0.00 C ATOM 1676 C ARG B 89 -8.507 7.392 -0.077 1.00 0.00 C ATOM 1677 O ARG B 89 -8.235 6.206 0.090 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.803 9.259 1.370 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.766 8.430 2.639 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.641 9.059 3.716 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.966 9.421 3.199 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.700 10.440 3.652 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.272 11.188 4.661 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.876 10.705 3.098 1.00 0.00 N ATOM 0 H ARG B 89 -7.658 10.350 -0.835 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.472 8.062 0.172 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.097 10.084 1.469 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.795 9.699 1.267 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -8.110 7.417 2.429 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.740 8.350 2.998 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.753 8.362 4.546 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.149 9.948 4.110 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.352 8.856 2.443 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.373 10.987 5.099 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.842 11.964 4.998 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.218 10.131 2.327 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.438 11.483 3.443 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.694 7.839 -0.430 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.828 6.974 -0.642 1.00 0.00 C ATOM 1700 C ASP B 90 -10.612 5.996 -1.791 1.00 0.00 C ATOM 1701 O ASP B 90 -10.861 4.812 -1.624 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.079 7.829 -0.825 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.769 8.052 0.504 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.719 9.184 1.028 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.321 7.071 1.051 1.00 0.00 O ATOM 0 H ASP B 90 -9.898 8.827 -0.579 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.960 6.346 0.239 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.809 8.788 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.763 7.340 -1.519 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.119 6.466 -2.927 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.877 5.586 -4.075 1.00 0.00 C ATOM 1712 C ALA B 91 -8.771 4.575 -3.772 1.00 0.00 C ATOM 1713 O ALA B 91 -8.889 3.406 -4.132 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.537 6.402 -5.311 1.00 0.00 C ATOM 0 H ALA B 91 -9.878 7.444 -3.085 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.793 5.029 -4.271 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.361 5.732 -6.152 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.366 7.069 -5.546 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.640 6.991 -5.122 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.691 5.025 -3.126 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.603 4.120 -2.749 1.00 0.00 C ATOM 1722 C VAL B 92 -7.182 3.073 -1.809 1.00 0.00 C ATOM 1723 O VAL B 92 -6.930 1.880 -1.949 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.444 4.862 -2.048 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.305 3.907 -1.736 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.938 6.004 -2.906 1.00 0.00 C ATOM 0 H VAL B 92 -7.548 5.998 -2.856 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.190 3.666 -3.650 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.827 5.270 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.499 4.451 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.664 3.115 -1.079 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.933 3.469 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.122 6.512 -2.392 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.579 5.613 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.748 6.710 -3.086 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.999 3.555 -0.873 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.683 2.709 0.098 1.00 0.00 C ATOM 1738 C LYS B 93 -9.570 1.706 -0.625 1.00 0.00 C ATOM 1739 O LYS B 93 -9.447 0.503 -0.439 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.544 3.580 1.023 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.464 2.794 1.947 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.657 3.630 2.402 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.847 3.487 1.456 1.00 0.00 C ATOM 1744 NZ LYS B 93 -12.850 4.520 0.385 1.00 0.00 N ATOM 0 H LYS B 93 -8.204 4.549 -0.768 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.941 2.172 0.690 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.888 4.205 1.629 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.148 4.251 0.412 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.820 1.902 1.432 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.903 2.457 2.818 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -11.953 3.325 3.406 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.364 4.678 2.461 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.829 2.497 1.001 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.772 3.558 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.628 4.330 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -12.980 5.460 0.810 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -11.944 4.493 -0.126 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.448 2.234 -1.463 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.381 1.435 -2.243 1.00 0.00 C ATOM 1760 C ASP B 94 -10.672 0.362 -3.048 1.00 0.00 C ATOM 1761 O ASP B 94 -10.991 -0.818 -2.930 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.192 2.348 -3.168 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.489 2.812 -2.534 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.460 2.033 -2.531 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.535 3.953 -2.025 1.00 0.00 O ATOM 0 H ASP B 94 -10.534 3.238 -1.623 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.052 0.928 -1.550 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.590 3.217 -3.434 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.413 1.817 -4.094 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.696 0.768 -3.842 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.948 -0.166 -4.670 1.00 0.00 C ATOM 1772 C LEU B 95 -8.211 -1.183 -3.808 1.00 0.00 C ATOM 1773 O LEU B 95 -8.148 -2.347 -4.161 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.965 0.586 -5.571 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.525 -0.170 -6.827 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.720 -0.450 -7.728 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.464 0.618 -7.579 1.00 0.00 C ATOM 0 H LEU B 95 -9.402 1.740 -3.932 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.655 -0.704 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.422 1.528 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.079 0.835 -4.987 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.094 -1.123 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.388 -0.988 -8.616 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.449 -1.055 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.180 0.492 -8.026 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.163 0.065 -8.469 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.870 1.586 -7.873 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.598 0.768 -6.935 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.671 -0.754 -2.676 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.966 -1.669 -1.783 1.00 0.00 C ATOM 1791 C LEU B 96 -7.955 -2.616 -1.111 1.00 0.00 C ATOM 1792 O LEU B 96 -7.700 -3.799 -1.020 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.181 -0.902 -0.720 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.835 -0.344 -1.172 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.339 0.703 -0.189 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.819 -1.462 -1.306 1.00 0.00 C ATOM 0 H LEU B 96 -7.706 0.213 -2.354 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.262 -2.248 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.796 -0.075 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -6.013 -1.563 0.130 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.965 0.128 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.378 1.091 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -5.060 1.519 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.223 0.251 0.796 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.864 -1.049 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.693 -1.957 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.169 -2.185 -2.042 1.00 0.00 H new ATOM 1808 N GLN B 97 -9.093 -2.099 -0.649 1.00 0.00 N ATOM 1809 CA GLN B 97 -10.109 -2.948 -0.017 1.00 0.00 C ATOM 1810 C GLN B 97 -10.637 -3.939 -1.044 1.00 0.00 C ATOM 1811 O GLN B 97 -11.205 -4.978 -0.718 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.266 -2.114 0.541 1.00 0.00 C ATOM 1813 CG GLN B 97 -10.872 -1.231 1.710 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.066 -0.736 2.500 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -12.624 0.320 2.211 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -12.461 -1.497 3.507 1.00 0.00 N ATOM 0 H GLN B 97 -9.335 -1.109 -0.698 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.648 -3.479 0.816 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.669 -1.489 -0.256 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -12.066 -2.784 0.856 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.209 -1.787 2.373 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -10.307 -0.376 1.339 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.969 -2.367 3.713 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.258 -1.214 4.078 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.445 -3.574 -2.295 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.841 -4.380 -3.428 1.00 0.00 C ATOM 1827 C GLN B 98 -9.764 -5.413 -3.740 1.00 0.00 C ATOM 1828 O GLN B 98 -10.023 -6.609 -3.872 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.004 -3.458 -4.645 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.369 -2.806 -4.781 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.519 -3.758 -4.550 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -13.453 -4.942 -4.899 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.579 -3.241 -3.953 1.00 0.00 N ATOM 0 H GLN B 98 -10.002 -2.693 -2.556 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.775 -4.893 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.248 -2.675 -4.592 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.802 -4.035 -5.548 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.442 -1.982 -4.071 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.459 -2.376 -5.778 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.584 -2.257 -3.684 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -15.392 -3.826 -3.761 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.560 -4.903 -3.841 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.370 -5.655 -4.202 1.00 0.00 C ATOM 1844 C LEU B 99 -6.755 -6.496 -3.076 1.00 0.00 C ATOM 1845 O LEU B 99 -6.444 -7.666 -3.288 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.356 -4.636 -4.716 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.519 -4.275 -6.194 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.719 -3.030 -6.537 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.107 -5.439 -7.079 1.00 0.00 C ATOM 0 H LEU B 99 -8.369 -3.916 -3.669 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.656 -6.394 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.439 -3.727 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.352 -5.029 -4.559 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.572 -4.062 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.850 -2.793 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.069 -2.194 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.663 -3.209 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.230 -5.162 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.063 -5.688 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.732 -6.304 -6.857 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.600 -5.912 -1.895 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.958 -6.591 -0.763 1.00 0.00 C ATOM 1863 C LEU B 100 -6.515 -7.994 -0.483 1.00 0.00 C ATOM 1864 O LEU B 100 -5.768 -8.967 -0.573 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.994 -5.723 0.504 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.001 -4.562 0.480 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.987 -3.791 1.788 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.617 -5.067 0.179 1.00 0.00 C ATOM 0 H LEU B 100 -6.911 -4.962 -1.689 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.919 -6.734 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.001 -5.326 0.634 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.785 -6.351 1.370 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.326 -3.880 -0.306 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.266 -2.976 1.722 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.979 -3.383 1.981 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.706 -4.460 2.601 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -2.919 -4.230 0.165 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.314 -5.779 0.947 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.613 -5.559 -0.794 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.824 -8.145 -0.176 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.411 -9.462 0.134 1.00 0.00 C ATOM 1882 C PRO B 101 -8.351 -10.454 -1.028 1.00 0.00 C ATOM 1883 O PRO B 101 -8.575 -11.647 -0.839 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.869 -9.141 0.473 1.00 0.00 C ATOM 1885 CG PRO B 101 -10.132 -7.826 -0.169 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.835 -7.073 -0.105 1.00 0.00 C ATOM 0 HA PRO B 101 -7.858 -9.949 0.937 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.542 -9.909 0.090 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -10.022 -9.092 1.551 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.460 -7.953 -1.201 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.923 -7.287 0.353 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.736 -6.369 -0.932 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.748 -6.497 0.816 1.00 0.00 H new ATOM 1894 N LYS B 102 -8.061 -9.965 -2.227 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.981 -10.833 -3.394 1.00 0.00 C ATOM 1896 C LYS B 102 -6.580 -11.417 -3.560 1.00 0.00 C ATOM 1897 O LYS B 102 -6.351 -12.253 -4.433 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.398 -10.080 -4.662 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.904 -9.910 -4.797 1.00 0.00 C ATOM 1900 CD LYS B 102 -10.321 -9.700 -6.246 1.00 0.00 C ATOM 1901 CE LYS B 102 -10.436 -8.224 -6.598 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.523 -7.550 -5.833 1.00 0.00 N ATOM 0 H LYS B 102 -7.879 -8.979 -2.416 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.674 -11.660 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.927 -9.097 -4.663 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -8.021 -10.615 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.407 -10.791 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -10.229 -9.059 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.594 -10.174 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -11.278 -10.190 -6.422 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.487 -7.728 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.626 -8.120 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.914 -6.770 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -12.276 -8.236 -5.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -11.139 -7.173 -4.943 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.645 -10.964 -2.734 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.271 -11.450 -2.807 1.00 0.00 C ATOM 1918 C PHE B 103 -3.773 -11.944 -1.451 1.00 0.00 C ATOM 1919 O PHE B 103 -2.905 -12.815 -1.381 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.343 -10.350 -3.329 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.559 -10.019 -4.780 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -3.075 -10.853 -5.775 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -4.251 -8.877 -5.149 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -3.276 -10.553 -7.109 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.455 -8.572 -6.480 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.967 -9.412 -7.462 1.00 0.00 C ATOM 0 H PHE B 103 -5.810 -10.265 -2.010 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.260 -12.293 -3.498 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.490 -9.449 -2.734 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.308 -10.661 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.534 -11.748 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.636 -8.217 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.893 -11.211 -7.875 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.995 -7.678 -6.753 1.00 0.00 H new ATOM 0 HZ PHE B 103 -4.126 -9.176 -8.504 1.00 0.00 H new