USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 SER OG : rot 180:sc= -0.819 USER MOD Set 1.2: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 74 ASN : amide:sc= -5.54! C(o=-10!,f=-6.5!) USER MOD Set 2.2: A 96 GLN : amide:sc= -4.67! C(o=-10!,f=-9.5!) USER MOD Single : A 19 LYS NZ :NH3+ 166:sc= -0.431 (180deg=-0.801) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0.816 (180deg=0.351) USER MOD Single : A 26 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 61:sc= -0.485! USER MOD Single : A 42 SER OG : rot 88:sc= 0.734 USER MOD Single : A 46 THR OG1 : rot -129:sc= -2.6! USER MOD Single : A 51 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.1!) USER MOD Single : A 52 MET CE :methyl -176:sc= -2.75 (180deg=-2.89) USER MOD Single : A 53 MET CE :methyl -139:sc= -6.42! (180deg=-11.3!) USER MOD Single : A 54 HIS : no HE2:sc= 0.447 K(o=0.45,f=-3.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -140:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.75 K(o=-2.7,f=-0.47) USER MOD Single : A 69 GLN : amide:sc= -5.4 K(o=-5.4,f=-16!) USER MOD Single : A 71 MET CE :methyl -134:sc= -7.73! (180deg=-17.3!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0017 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 86 CYS SG : rot 55:sc= -0.342 USER MOD Single : A 87 GLN : amide:sc= -3.06 X(o=-3.1,f=-3.5!) USER MOD Single : A 88 SER OG : rot -89:sc= 1.16 USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 0.0126 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.103 X(o=-0.1,f=0.013) USER MOD Single : A 97 SER OG : rot 180:sc= -0.392 USER MOD Single : A 100 LYS NZ :NH3+ -166:sc= 0.748 (180deg=0.618) USER MOD Single : A 102 ASN : amide:sc= 0.118 X(o=0.12,f=-0.33) USER MOD Single : B -1 TYR OH : rot -171:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.583 -8.842 -8.971 1.00 0.00 N ATOM 2 CA GLU A 17 -14.549 -8.647 -9.980 1.00 0.00 C ATOM 3 C GLU A 17 -13.607 -7.511 -9.591 1.00 0.00 C ATOM 4 O GLU A 17 -14.040 -6.487 -9.060 1.00 0.00 O ATOM 5 CB GLU A 17 -15.185 -8.352 -11.340 1.00 0.00 C ATOM 6 CG GLU A 17 -16.150 -7.179 -11.320 1.00 0.00 C ATOM 7 CD GLU A 17 -16.935 -7.046 -12.609 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.433 -6.391 -13.546 1.00 0.00 O ATOM 9 OE2 GLU A 17 -18.052 -7.600 -12.682 1.00 0.00 O ATOM 0 HA GLU A 17 -13.968 -9.567 -10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.396 -8.150 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.714 -9.241 -11.685 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -16.844 -7.298 -10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.593 -6.259 -11.142 1.00 0.00 H new ATOM 16 N PHE A 18 -12.320 -7.700 -9.860 1.00 0.00 N ATOM 17 CA PHE A 18 -11.311 -6.695 -9.542 1.00 0.00 C ATOM 18 C PHE A 18 -11.559 -5.402 -10.309 1.00 0.00 C ATOM 19 O PHE A 18 -12.157 -5.414 -11.384 1.00 0.00 O ATOM 20 CB PHE A 18 -9.914 -7.216 -9.879 1.00 0.00 C ATOM 21 CG PHE A 18 -9.256 -7.954 -8.754 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.792 -9.139 -8.284 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.096 -7.468 -8.174 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.185 -9.831 -7.256 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.484 -8.153 -7.142 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.029 -9.339 -6.684 1.00 0.00 C ATOM 0 H PHE A 18 -11.949 -8.543 -10.299 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.379 -6.490 -8.474 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.981 -7.876 -10.744 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.283 -6.376 -10.168 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.697 -9.528 -8.727 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.666 -6.544 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.614 -10.756 -6.900 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.582 -7.763 -6.694 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.551 -9.879 -5.880 1.00 0.00 H new ATOM 36 N LYS A 19 -11.084 -4.293 -9.755 1.00 0.00 N ATOM 37 CA LYS A 19 -11.245 -2.999 -10.400 1.00 0.00 C ATOM 38 C LYS A 19 -10.369 -1.938 -9.742 1.00 0.00 C ATOM 39 O LYS A 19 -10.440 -1.713 -8.531 1.00 0.00 O ATOM 40 CB LYS A 19 -12.709 -2.562 -10.366 1.00 0.00 C ATOM 41 CG LYS A 19 -13.328 -2.625 -8.982 1.00 0.00 C ATOM 42 CD LYS A 19 -13.439 -1.243 -8.357 1.00 0.00 C ATOM 43 CE LYS A 19 -14.468 -0.387 -9.076 1.00 0.00 C ATOM 44 NZ LYS A 19 -15.847 -0.636 -8.573 1.00 0.00 N ATOM 0 H LYS A 19 -10.587 -4.265 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.929 -3.106 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.784 -1.542 -10.743 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.284 -3.195 -11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.318 -3.077 -9.045 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.724 -3.268 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.714 -1.339 -7.307 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.468 -0.749 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.219 0.666 -8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.429 -0.594 -10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.480 0.118 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.185 -1.554 -8.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.841 -0.646 -7.533 1.00 0.00 H new ATOM 58 N ASP A 20 -9.551 -1.285 -10.559 1.00 0.00 N ATOM 59 CA ASP A 20 -8.659 -0.231 -10.082 1.00 0.00 C ATOM 60 C ASP A 20 -9.463 0.991 -9.646 1.00 0.00 C ATOM 61 O ASP A 20 -9.918 1.777 -10.477 1.00 0.00 O ATOM 62 CB ASP A 20 -7.669 0.161 -11.183 1.00 0.00 C ATOM 63 CG ASP A 20 -6.286 -0.413 -10.948 1.00 0.00 C ATOM 64 OD1 ASP A 20 -5.499 0.214 -10.207 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.989 -1.492 -11.504 1.00 0.00 O ATOM 0 H ASP A 20 -9.486 -1.467 -11.560 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.104 -0.610 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.045 -0.186 -12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.604 1.248 -11.239 1.00 0.00 H new ATOM 70 N VAL A 21 -9.637 1.138 -8.337 1.00 0.00 N ATOM 71 CA VAL A 21 -10.391 2.254 -7.785 1.00 0.00 C ATOM 72 C VAL A 21 -9.523 3.495 -7.642 1.00 0.00 C ATOM 73 O VAL A 21 -8.564 3.507 -6.870 1.00 0.00 O ATOM 74 CB VAL A 21 -10.981 1.909 -6.405 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.906 3.018 -5.925 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.716 0.579 -6.454 1.00 0.00 C ATOM 0 H VAL A 21 -9.264 0.495 -7.638 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.201 2.455 -8.486 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.160 1.819 -5.694 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.313 2.755 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.346 3.950 -5.846 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.722 3.144 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.126 0.353 -5.469 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.527 0.638 -7.180 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.023 -0.209 -6.748 1.00 0.00 H new ATOM 86 N PHE A 22 -9.874 4.545 -8.373 1.00 0.00 N ATOM 87 CA PHE A 22 -9.132 5.793 -8.305 1.00 0.00 C ATOM 88 C PHE A 22 -10.002 6.899 -7.726 1.00 0.00 C ATOM 89 O PHE A 22 -10.885 7.426 -8.401 1.00 0.00 O ATOM 90 CB PHE A 22 -8.615 6.202 -9.688 1.00 0.00 C ATOM 91 CG PHE A 22 -7.206 6.725 -9.674 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.615 7.136 -8.489 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.468 6.802 -10.845 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.325 7.611 -8.472 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.173 7.280 -10.831 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.602 7.684 -9.639 1.00 0.00 C ATOM 0 H PHE A 22 -10.665 4.556 -9.017 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.275 5.637 -7.650 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.668 5.342 -10.355 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.273 6.966 -10.101 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.175 7.082 -7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.911 6.485 -11.778 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.879 7.927 -7.541 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.607 7.338 -11.749 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.588 8.057 -9.624 1.00 0.00 H new ATOM 106 N ILE A 23 -9.746 7.243 -6.469 1.00 0.00 N ATOM 107 CA ILE A 23 -10.508 8.283 -5.796 1.00 0.00 C ATOM 108 C ILE A 23 -9.704 9.574 -5.695 1.00 0.00 C ATOM 109 O ILE A 23 -8.856 9.723 -4.815 1.00 0.00 O ATOM 110 CB ILE A 23 -10.935 7.838 -4.383 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.720 6.525 -4.458 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.762 8.923 -3.703 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.120 6.680 -5.014 1.00 0.00 C ATOM 0 H ILE A 23 -9.017 6.816 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.400 8.464 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.039 7.673 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.169 5.818 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.782 6.092 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.053 8.588 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.170 9.834 -3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.656 9.123 -4.294 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.612 5.708 -5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.689 7.361 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.067 7.083 -6.025 1.00 0.00 H new ATOM 125 N GLU A 24 -9.986 10.506 -6.596 1.00 0.00 N ATOM 126 CA GLU A 24 -9.299 11.790 -6.606 1.00 0.00 C ATOM 127 C GLU A 24 -9.827 12.671 -5.482 1.00 0.00 C ATOM 128 O GLU A 24 -10.969 13.124 -5.522 1.00 0.00 O ATOM 129 CB GLU A 24 -9.492 12.488 -7.954 1.00 0.00 C ATOM 130 CG GLU A 24 -8.783 11.793 -9.106 1.00 0.00 C ATOM 131 CD GLU A 24 -8.799 12.615 -10.379 1.00 0.00 C ATOM 132 OE1 GLU A 24 -9.904 12.901 -10.888 1.00 0.00 O ATOM 133 OE2 GLU A 24 -7.707 12.972 -10.869 1.00 0.00 O ATOM 0 H GLU A 24 -10.686 10.396 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.234 11.617 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.558 12.544 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.127 13.512 -7.879 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.751 11.589 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.259 10.830 -9.293 1.00 0.00 H new ATOM 140 N LYS A 25 -8.997 12.897 -4.470 1.00 0.00 N ATOM 141 CA LYS A 25 -9.403 13.711 -3.330 1.00 0.00 C ATOM 142 C LYS A 25 -8.353 14.761 -2.992 1.00 0.00 C ATOM 143 O LYS A 25 -7.368 14.925 -3.711 1.00 0.00 O ATOM 144 CB LYS A 25 -9.659 12.820 -2.113 1.00 0.00 C ATOM 145 CG LYS A 25 -8.433 12.041 -1.664 1.00 0.00 C ATOM 146 CD LYS A 25 -8.332 11.985 -0.147 1.00 0.00 C ATOM 147 CE LYS A 25 -6.896 11.792 0.309 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.432 10.391 0.111 1.00 0.00 N ATOM 0 H LYS A 25 -8.046 12.531 -4.415 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.323 14.229 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.009 13.439 -1.287 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.460 12.119 -2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.478 11.028 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.536 12.506 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.729 12.906 0.279 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.947 11.168 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.246 12.471 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.812 12.056 1.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.533 10.249 0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.145 9.733 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.293 10.211 -0.904 1.00 0.00 H new ATOM 162 N GLN A 26 -8.576 15.469 -1.891 1.00 0.00 N ATOM 163 CA GLN A 26 -7.654 16.504 -1.446 1.00 0.00 C ATOM 164 C GLN A 26 -6.977 16.092 -0.146 1.00 0.00 C ATOM 165 O GLN A 26 -7.478 15.232 0.579 1.00 0.00 O ATOM 166 CB GLN A 26 -8.398 17.828 -1.253 1.00 0.00 C ATOM 167 CG GLN A 26 -8.775 18.510 -2.557 1.00 0.00 C ATOM 168 CD GLN A 26 -10.255 18.396 -2.868 1.00 0.00 C ATOM 169 OE1 GLN A 26 -11.034 19.302 -2.571 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.649 17.280 -3.470 1.00 0.00 N ATOM 0 H GLN A 26 -9.390 15.344 -1.289 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.889 16.636 -2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.303 17.645 -0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.775 18.503 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.498 19.563 -2.505 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.201 18.069 -3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.968 16.555 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.633 17.147 -3.705 1.00 0.00 H new ATOM 179 N LYS A 27 -5.840 16.707 0.147 1.00 0.00 N ATOM 180 CA LYS A 27 -5.100 16.399 1.365 1.00 0.00 C ATOM 181 C LYS A 27 -5.952 16.678 2.594 1.00 0.00 C ATOM 182 O LYS A 27 -6.899 17.462 2.541 1.00 0.00 O ATOM 183 CB LYS A 27 -3.804 17.212 1.426 1.00 0.00 C ATOM 184 CG LYS A 27 -3.112 17.352 0.080 1.00 0.00 C ATOM 185 CD LYS A 27 -1.599 17.364 0.228 1.00 0.00 C ATOM 186 CE LYS A 27 -0.930 16.527 -0.850 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.347 17.370 -1.931 1.00 0.00 N ATOM 0 H LYS A 27 -5.409 17.421 -0.440 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.847 15.339 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.026 18.205 1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.120 16.738 2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.408 16.528 -0.570 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.438 18.273 -0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.235 18.390 0.173 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.325 16.981 1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.145 15.919 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.659 15.840 -1.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.099 16.759 -2.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.100 17.932 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.367 18.008 -1.526 1.00 0.00 H new ATOM 201 N GLY A 28 -5.615 16.025 3.698 1.00 0.00 N ATOM 202 CA GLY A 28 -6.369 16.210 4.920 1.00 0.00 C ATOM 203 C GLY A 28 -7.803 15.729 4.792 1.00 0.00 C ATOM 204 O GLY A 28 -8.659 16.092 5.597 1.00 0.00 O ATOM 0 H GLY A 28 -4.835 15.372 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.879 15.672 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.365 17.266 5.190 1.00 0.00 H new ATOM 208 N GLU A 29 -8.063 14.901 3.782 1.00 0.00 N ATOM 209 CA GLU A 29 -9.399 14.364 3.560 1.00 0.00 C ATOM 210 C GLU A 29 -9.335 12.855 3.383 1.00 0.00 C ATOM 211 O GLU A 29 -10.141 12.269 2.662 1.00 0.00 O ATOM 212 CB GLU A 29 -10.047 15.019 2.337 1.00 0.00 C ATOM 213 CG GLU A 29 -11.430 15.585 2.613 1.00 0.00 C ATOM 214 CD GLU A 29 -11.408 16.724 3.611 1.00 0.00 C ATOM 215 OE1 GLU A 29 -10.334 17.338 3.786 1.00 0.00 O ATOM 216 OE2 GLU A 29 -12.462 17.003 4.221 1.00 0.00 O ATOM 0 H GLU A 29 -7.365 14.589 3.106 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.012 14.588 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.400 15.820 1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.118 14.284 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.868 15.935 1.678 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.075 14.791 2.989 1.00 0.00 H new ATOM 223 N ILE A 30 -8.364 12.251 4.067 1.00 0.00 N ATOM 224 CA ILE A 30 -8.131 10.801 4.046 1.00 0.00 C ATOM 225 C ILE A 30 -8.869 10.086 2.914 1.00 0.00 C ATOM 226 O ILE A 30 -8.287 9.777 1.874 1.00 0.00 O ATOM 227 CB ILE A 30 -8.519 10.147 5.391 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.620 10.942 6.090 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.304 10.025 6.295 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.667 10.060 6.722 1.00 0.00 C ATOM 0 H ILE A 30 -7.707 12.758 4.660 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.061 10.686 3.873 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.901 9.148 5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.174 11.575 6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.097 11.605 5.368 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.597 9.562 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.548 9.409 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.894 11.016 6.489 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.423 10.680 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.137 9.446 5.954 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.199 9.415 7.466 1.00 0.00 H new ATOM 242 N LEU A 31 -10.151 9.829 3.134 1.00 0.00 N ATOM 243 CA LEU A 31 -10.991 9.146 2.155 1.00 0.00 C ATOM 244 C LEU A 31 -12.390 8.952 2.720 1.00 0.00 C ATOM 245 O LEU A 31 -13.390 9.155 2.031 1.00 0.00 O ATOM 246 CB LEU A 31 -10.389 7.786 1.786 1.00 0.00 C ATOM 247 CG LEU A 31 -10.895 7.187 0.473 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.279 7.908 -0.715 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.586 5.698 0.417 1.00 0.00 C ATOM 0 H LEU A 31 -10.638 10.086 3.992 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.046 9.760 1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.306 7.890 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.598 7.083 2.592 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.976 7.317 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.651 7.468 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.550 8.963 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.194 7.810 -0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.952 5.286 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.509 5.547 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.076 5.193 1.250 1.00 0.00 H new ATOM 261 N GLY A 32 -12.444 8.572 3.991 1.00 0.00 N ATOM 262 CA GLY A 32 -13.716 8.366 4.659 1.00 0.00 C ATOM 263 C GLY A 32 -14.313 6.993 4.415 1.00 0.00 C ATOM 264 O GLY A 32 -15.408 6.879 3.867 1.00 0.00 O ATOM 0 H GLY A 32 -11.625 8.402 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.582 8.510 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.422 9.125 4.322 1.00 0.00 H new ATOM 268 N VAL A 33 -13.605 5.945 4.833 1.00 0.00 N ATOM 269 CA VAL A 33 -14.107 4.582 4.659 1.00 0.00 C ATOM 270 C VAL A 33 -13.658 3.667 5.795 1.00 0.00 C ATOM 271 O VAL A 33 -12.655 3.925 6.458 1.00 0.00 O ATOM 272 CB VAL A 33 -13.711 3.968 3.286 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.443 5.061 2.261 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.509 3.034 3.399 1.00 0.00 C ATOM 0 H VAL A 33 -12.695 6.010 5.288 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.194 4.658 4.683 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.557 3.370 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.168 4.607 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.341 5.664 2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.628 5.695 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.269 2.629 2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.652 3.588 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.746 2.217 4.080 1.00 0.00 H new ATOM 284 N VAL A 34 -14.413 2.596 6.008 1.00 0.00 N ATOM 285 CA VAL A 34 -14.104 1.633 7.058 1.00 0.00 C ATOM 286 C VAL A 34 -13.889 0.242 6.477 1.00 0.00 C ATOM 287 O VAL A 34 -14.730 -0.275 5.743 1.00 0.00 O ATOM 288 CB VAL A 34 -15.222 1.570 8.112 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.822 0.664 9.267 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.559 2.966 8.612 1.00 0.00 C ATOM 0 H VAL A 34 -15.247 2.372 5.465 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.185 1.971 7.537 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.112 1.149 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.627 0.634 10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.635 -0.342 8.892 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.917 1.051 9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.352 2.904 9.357 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.673 3.415 9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.894 3.581 7.776 1.00 0.00 H new ATOM 300 N ILE A 35 -12.752 -0.354 6.810 1.00 0.00 N ATOM 301 CA ILE A 35 -12.409 -1.680 6.328 1.00 0.00 C ATOM 302 C ILE A 35 -12.293 -2.672 7.479 1.00 0.00 C ATOM 303 O ILE A 35 -11.834 -2.326 8.567 1.00 0.00 O ATOM 304 CB ILE A 35 -11.090 -1.663 5.545 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.073 -0.749 6.221 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.331 -1.230 4.107 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.649 -1.195 6.006 1.00 0.00 C ATOM 0 H ILE A 35 -12.048 0.066 7.417 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.214 -1.995 5.664 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.683 -2.674 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.193 0.265 5.839 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.279 -0.713 7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.385 -1.223 3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.019 -1.927 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.762 -0.229 4.096 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.972 -0.506 6.510 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.516 -2.197 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.428 -1.205 4.939 1.00 0.00 H new ATOM 319 N VAL A 36 -12.711 -3.909 7.230 1.00 0.00 N ATOM 320 CA VAL A 36 -12.656 -4.954 8.245 1.00 0.00 C ATOM 321 C VAL A 36 -12.082 -6.245 7.671 1.00 0.00 C ATOM 322 O VAL A 36 -12.022 -6.418 6.456 1.00 0.00 O ATOM 323 CB VAL A 36 -14.053 -5.242 8.828 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.605 -4.009 9.526 1.00 0.00 C ATOM 325 CG2 VAL A 36 -15.002 -5.714 7.736 1.00 0.00 C ATOM 0 H VAL A 36 -13.092 -4.212 6.333 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.005 -4.591 9.041 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.960 -6.039 9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.592 -4.232 9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.936 -3.720 10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.683 -3.190 8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.983 -5.912 8.167 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.091 -4.941 6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.613 -6.627 7.285 1.00 0.00 H new ATOM 335 N GLU A 37 -11.662 -7.150 8.550 1.00 0.00 N ATOM 336 CA GLU A 37 -11.095 -8.426 8.126 1.00 0.00 C ATOM 337 C GLU A 37 -12.064 -9.180 7.217 1.00 0.00 C ATOM 338 O GLU A 37 -13.210 -9.434 7.588 1.00 0.00 O ATOM 339 CB GLU A 37 -10.742 -9.281 9.346 1.00 0.00 C ATOM 340 CG GLU A 37 -9.246 -9.485 9.531 1.00 0.00 C ATOM 341 CD GLU A 37 -8.869 -10.945 9.684 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.018 -11.703 8.702 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.424 -11.332 10.785 1.00 0.00 O ATOM 0 H GLU A 37 -11.704 -7.023 9.561 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.186 -8.222 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.150 -8.810 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.224 -10.254 9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.718 -9.065 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.915 -8.934 10.411 1.00 0.00 H new ATOM 350 N SER A 38 -11.592 -9.532 6.024 1.00 0.00 N ATOM 351 CA SER A 38 -12.410 -10.254 5.054 1.00 0.00 C ATOM 352 C SER A 38 -12.766 -11.650 5.556 1.00 0.00 C ATOM 353 O SER A 38 -12.100 -12.630 5.224 1.00 0.00 O ATOM 354 CB SER A 38 -11.676 -10.347 3.715 1.00 0.00 C ATOM 355 OG SER A 38 -10.639 -11.309 3.768 1.00 0.00 O ATOM 0 H SER A 38 -10.645 -9.328 5.705 1.00 0.00 H new ATOM 0 HA SER A 38 -13.339 -9.700 4.918 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.382 -10.612 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.260 -9.373 3.456 1.00 0.00 H new ATOM 0 HG SER A 38 -11.020 -12.189 3.969 1.00 0.00 H new ATOM 361 N GLY A 39 -13.825 -11.732 6.357 1.00 0.00 N ATOM 362 CA GLY A 39 -14.256 -13.013 6.890 1.00 0.00 C ATOM 363 C GLY A 39 -15.097 -13.807 5.904 1.00 0.00 C ATOM 364 O GLY A 39 -15.475 -14.946 6.181 1.00 0.00 O ATOM 0 H GLY A 39 -14.392 -10.935 6.646 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.380 -13.599 7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.831 -12.848 7.801 1.00 0.00 H new ATOM 368 N TRP A 40 -15.387 -13.206 4.753 1.00 0.00 N ATOM 369 CA TRP A 40 -16.181 -13.860 3.718 1.00 0.00 C ATOM 370 C TRP A 40 -15.554 -15.194 3.308 1.00 0.00 C ATOM 371 O TRP A 40 -14.714 -15.742 4.020 1.00 0.00 O ATOM 372 CB TRP A 40 -16.298 -12.937 2.501 1.00 0.00 C ATOM 373 CG TRP A 40 -14.984 -12.675 1.828 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.753 -12.633 2.421 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.766 -12.424 0.435 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.788 -12.370 1.484 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.382 -12.238 0.258 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.602 -12.337 -0.682 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.817 -11.973 -0.984 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.040 -12.072 -1.917 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.658 -11.894 -2.060 1.00 0.00 C ATOM 0 H TRP A 40 -15.082 -12.263 4.513 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.175 -14.062 4.118 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -16.985 -13.382 1.781 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.734 -11.988 2.814 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.568 -12.785 3.474 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.789 -12.286 1.670 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.669 -12.474 -0.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.752 -11.834 -1.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.677 -12.001 -2.786 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.249 -11.690 -3.038 1.00 0.00 H new ATOM 392 N GLY A 41 -15.961 -15.711 2.151 1.00 0.00 N ATOM 393 CA GLY A 41 -15.424 -16.972 1.667 1.00 0.00 C ATOM 394 C GLY A 41 -13.905 -16.989 1.625 1.00 0.00 C ATOM 395 O GLY A 41 -13.299 -18.058 1.580 1.00 0.00 O ATOM 0 H GLY A 41 -16.654 -15.279 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.774 -17.781 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.813 -17.167 0.667 1.00 0.00 H new ATOM 399 N SER A 42 -13.300 -15.793 1.641 1.00 0.00 N ATOM 400 CA SER A 42 -11.841 -15.622 1.607 1.00 0.00 C ATOM 401 C SER A 42 -11.387 -15.107 0.260 1.00 0.00 C ATOM 402 O SER A 42 -11.275 -13.902 0.069 1.00 0.00 O ATOM 403 CB SER A 42 -11.084 -16.904 1.971 1.00 0.00 C ATOM 404 OG SER A 42 -11.544 -17.440 3.200 1.00 0.00 O ATOM 0 H SER A 42 -13.812 -14.912 1.678 1.00 0.00 H new ATOM 0 HA SER A 42 -11.601 -14.881 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.212 -17.642 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.017 -16.692 2.040 1.00 0.00 H new ATOM 0 HG SER A 42 -12.306 -18.034 3.033 1.00 0.00 H new ATOM 410 N ILE A 43 -11.149 -16.012 -0.671 1.00 0.00 N ATOM 411 CA ILE A 43 -10.728 -15.642 -2.003 1.00 0.00 C ATOM 412 C ILE A 43 -9.446 -14.813 -1.972 1.00 0.00 C ATOM 413 O ILE A 43 -8.395 -15.239 -2.452 1.00 0.00 O ATOM 414 CB ILE A 43 -11.854 -14.860 -2.663 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.075 -15.763 -2.800 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.425 -14.301 -4.001 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.283 -15.057 -3.354 1.00 0.00 C ATOM 0 H ILE A 43 -11.242 -17.017 -0.524 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.512 -16.544 -2.575 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.112 -14.006 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -12.825 -16.603 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.322 -16.177 -1.823 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.252 -13.748 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.575 -13.633 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.138 -15.119 -4.662 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.114 -15.759 -3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.558 -14.234 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.053 -14.666 -4.345 1.00 0.00 H new ATOM 429 N LEU A 44 -9.555 -13.637 -1.385 1.00 0.00 N ATOM 430 CA LEU A 44 -8.433 -12.719 -1.246 1.00 0.00 C ATOM 431 C LEU A 44 -8.418 -12.137 0.167 1.00 0.00 C ATOM 432 O LEU A 44 -8.769 -10.978 0.373 1.00 0.00 O ATOM 433 CB LEU A 44 -8.533 -11.593 -2.277 1.00 0.00 C ATOM 434 CG LEU A 44 -8.708 -12.049 -3.729 1.00 0.00 C ATOM 435 CD1 LEU A 44 -9.759 -11.206 -4.433 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.381 -11.980 -4.472 1.00 0.00 C ATOM 0 H LEU A 44 -10.427 -13.287 -0.988 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.506 -13.265 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.374 -10.952 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.633 -10.982 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.048 -13.085 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.868 -11.546 -5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.713 -11.306 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.451 -10.160 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.523 -12.307 -5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.013 -10.954 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.655 -12.629 -3.982 1.00 0.00 H new ATOM 448 N PRO A 45 -8.026 -12.949 1.163 1.00 0.00 N ATOM 449 CA PRO A 45 -7.983 -12.524 2.568 1.00 0.00 C ATOM 450 C PRO A 45 -7.310 -11.170 2.770 1.00 0.00 C ATOM 451 O PRO A 45 -6.100 -11.097 2.985 1.00 0.00 O ATOM 452 CB PRO A 45 -7.168 -13.629 3.239 1.00 0.00 C ATOM 453 CG PRO A 45 -7.433 -14.841 2.415 1.00 0.00 C ATOM 454 CD PRO A 45 -7.610 -14.356 1.001 1.00 0.00 C ATOM 0 HA PRO A 45 -8.985 -12.392 2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.106 -13.385 3.255 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.477 -13.777 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.606 -15.547 2.484 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.326 -15.361 2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.684 -14.437 0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.363 -14.938 0.470 1.00 0.00 H new ATOM 462 N THR A 46 -8.100 -10.097 2.717 1.00 0.00 N ATOM 463 CA THR A 46 -7.566 -8.752 2.911 1.00 0.00 C ATOM 464 C THR A 46 -8.467 -7.920 3.836 1.00 0.00 C ATOM 465 O THR A 46 -8.298 -7.945 5.054 1.00 0.00 O ATOM 466 CB THR A 46 -7.367 -8.043 1.567 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.319 -6.640 1.745 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.451 -8.343 0.553 1.00 0.00 C ATOM 0 H THR A 46 -9.104 -10.134 2.543 1.00 0.00 H new ATOM 0 HA THR A 46 -6.593 -8.850 3.393 1.00 0.00 H new ATOM 0 HB THR A 46 -6.423 -8.427 1.180 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.951 -6.211 1.132 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.242 -7.806 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.476 -9.414 0.353 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.416 -8.025 0.947 1.00 0.00 H new ATOM 476 N VAL A 47 -9.419 -7.185 3.258 1.00 0.00 N ATOM 477 CA VAL A 47 -10.326 -6.356 4.048 1.00 0.00 C ATOM 478 C VAL A 47 -11.652 -6.135 3.325 1.00 0.00 C ATOM 479 O VAL A 47 -11.780 -6.432 2.138 1.00 0.00 O ATOM 480 CB VAL A 47 -9.709 -4.982 4.378 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.871 -5.061 5.647 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.879 -4.463 3.213 1.00 0.00 C ATOM 0 H VAL A 47 -9.580 -7.148 2.251 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.503 -6.899 4.976 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.523 -4.278 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.444 -4.081 5.863 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.501 -5.374 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.067 -5.784 5.508 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.455 -3.493 3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.073 -5.165 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.513 -4.359 2.333 1.00 0.00 H new ATOM 492 N ILE A 48 -12.641 -5.615 4.053 1.00 0.00 N ATOM 493 CA ILE A 48 -13.961 -5.356 3.481 1.00 0.00 C ATOM 494 C ILE A 48 -14.496 -3.989 3.890 1.00 0.00 C ATOM 495 O ILE A 48 -14.542 -3.665 5.078 1.00 0.00 O ATOM 496 CB ILE A 48 -15.007 -6.410 3.920 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.357 -7.583 4.646 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.789 -6.912 2.724 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.355 -8.457 5.373 1.00 0.00 C ATOM 0 H ILE A 48 -12.552 -5.366 5.038 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.820 -5.401 2.401 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.689 -5.921 4.616 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.809 -8.190 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.628 -7.201 5.361 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.519 -7.652 3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.306 -6.077 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.106 -7.369 2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.830 -9.273 5.869 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.886 -7.862 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -16.069 -8.866 4.658 1.00 0.00 H new ATOM 511 N ILE A 49 -14.942 -3.208 2.912 1.00 0.00 N ATOM 512 CA ILE A 49 -15.515 -1.912 3.191 1.00 0.00 C ATOM 513 C ILE A 49 -16.813 -2.101 3.952 1.00 0.00 C ATOM 514 O ILE A 49 -17.869 -2.337 3.367 1.00 0.00 O ATOM 515 CB ILE A 49 -15.765 -1.139 1.889 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.437 -0.901 1.176 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.472 0.175 2.165 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.589 -0.209 -0.153 1.00 0.00 C ATOM 0 H ILE A 49 -14.914 -3.456 1.923 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.818 -1.331 3.796 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.414 -1.732 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.791 -0.302 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.938 -1.858 1.024 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.637 0.703 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.431 -0.021 2.645 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.856 0.788 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.607 -0.071 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.210 -0.817 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.060 0.763 -0.005 1.00 0.00 H new ATOM 530 N ALA A 50 -16.708 -2.035 5.267 1.00 0.00 N ATOM 531 CA ALA A 50 -17.847 -2.239 6.138 1.00 0.00 C ATOM 532 C ALA A 50 -18.515 -0.928 6.540 1.00 0.00 C ATOM 533 O ALA A 50 -19.491 -0.929 7.289 1.00 0.00 O ATOM 534 CB ALA A 50 -17.392 -3.009 7.360 1.00 0.00 C ATOM 0 H ALA A 50 -15.835 -1.840 5.757 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.600 -2.810 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.240 -3.170 8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.984 -3.972 7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.623 -2.440 7.883 1.00 0.00 H new ATOM 540 N ASN A 51 -17.995 0.188 6.041 1.00 0.00 N ATOM 541 CA ASN A 51 -18.566 1.489 6.361 1.00 0.00 C ATOM 542 C ASN A 51 -17.892 2.598 5.559 1.00 0.00 C ATOM 543 O ASN A 51 -16.798 2.416 5.026 1.00 0.00 O ATOM 544 CB ASN A 51 -18.439 1.768 7.861 1.00 0.00 C ATOM 545 CG ASN A 51 -19.786 1.871 8.550 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.831 1.667 7.930 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.770 2.190 9.838 1.00 0.00 N ATOM 0 H ASN A 51 -17.187 0.218 5.419 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.622 1.471 6.091 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.856 0.973 8.327 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.887 2.696 8.009 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.646 2.275 10.353 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.882 2.350 10.313 1.00 0.00 H new ATOM 554 N MET A 52 -18.557 3.746 5.474 1.00 0.00 N ATOM 555 CA MET A 52 -18.024 4.885 4.734 1.00 0.00 C ATOM 556 C MET A 52 -18.595 6.197 5.259 1.00 0.00 C ATOM 557 O MET A 52 -19.638 6.217 5.912 1.00 0.00 O ATOM 558 CB MET A 52 -18.325 4.739 3.246 1.00 0.00 C ATOM 559 CG MET A 52 -17.171 4.152 2.449 1.00 0.00 C ATOM 560 SD MET A 52 -17.547 3.992 0.694 1.00 0.00 S ATOM 561 CE MET A 52 -19.261 3.485 0.766 1.00 0.00 C ATOM 0 H MET A 52 -19.465 3.912 5.908 1.00 0.00 H new ATOM 0 HA MET A 52 -16.944 4.903 4.877 1.00 0.00 H new ATOM 0 HB2 MET A 52 -19.202 4.104 3.121 1.00 0.00 H new ATOM 0 HB3 MET A 52 -18.578 5.717 2.837 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.292 4.784 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.918 3.172 2.853 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.621 3.275 -0.241 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.349 2.587 1.377 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.858 4.283 1.206 1.00 0.00 H new ATOM 571 N MET A 53 -17.900 7.294 4.970 1.00 0.00 N ATOM 572 CA MET A 53 -18.335 8.614 5.412 1.00 0.00 C ATOM 573 C MET A 53 -19.662 9.001 4.762 1.00 0.00 C ATOM 574 O MET A 53 -20.378 9.866 5.266 1.00 0.00 O ATOM 575 CB MET A 53 -17.267 9.662 5.082 1.00 0.00 C ATOM 576 CG MET A 53 -16.247 9.862 6.192 1.00 0.00 C ATOM 577 SD MET A 53 -15.292 11.380 5.993 1.00 0.00 S ATOM 578 CE MET A 53 -13.658 10.823 6.476 1.00 0.00 C ATOM 0 H MET A 53 -17.034 7.294 4.432 1.00 0.00 H new ATOM 0 HA MET A 53 -18.480 8.577 6.492 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.747 9.364 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.756 10.614 4.873 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.761 9.884 7.153 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.567 9.010 6.214 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.178 11.588 7.086 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.743 9.901 7.051 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.058 10.640 5.585 1.00 0.00 H new ATOM 588 N HIS A 54 -19.983 8.359 3.643 1.00 0.00 N ATOM 589 CA HIS A 54 -21.223 8.642 2.930 1.00 0.00 C ATOM 590 C HIS A 54 -21.260 10.096 2.474 1.00 0.00 C ATOM 591 O HIS A 54 -22.259 10.793 2.659 1.00 0.00 O ATOM 592 CB HIS A 54 -22.430 8.338 3.819 1.00 0.00 C ATOM 593 CG HIS A 54 -23.580 7.731 3.078 1.00 0.00 C ATOM 594 ND1 HIS A 54 -23.469 6.579 2.328 1.00 0.00 N ATOM 595 CD2 HIS A 54 -24.873 8.121 2.975 1.00 0.00 C ATOM 596 CE1 HIS A 54 -24.643 6.288 1.794 1.00 0.00 C ATOM 597 NE2 HIS A 54 -25.511 7.207 2.172 1.00 0.00 N ATOM 0 H HIS A 54 -19.402 7.640 3.211 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.265 8.001 2.049 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.123 7.660 4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -22.762 9.260 4.296 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -22.614 6.036 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -25.319 8.989 3.438 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -24.855 5.442 1.157 1.00 0.00 H new ATOM 606 N GLY A 55 -20.162 10.549 1.879 1.00 0.00 N ATOM 607 CA GLY A 55 -20.084 11.918 1.407 1.00 0.00 C ATOM 608 C GLY A 55 -18.693 12.278 0.931 1.00 0.00 C ATOM 609 O GLY A 55 -18.531 13.035 -0.028 1.00 0.00 O ATOM 0 H GLY A 55 -19.324 9.991 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.794 12.061 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.379 12.595 2.209 1.00 0.00 H new ATOM 613 N GLY A 56 -17.685 11.730 1.600 1.00 0.00 N ATOM 614 CA GLY A 56 -16.312 12.002 1.224 1.00 0.00 C ATOM 615 C GLY A 56 -16.004 11.544 -0.188 1.00 0.00 C ATOM 616 O GLY A 56 -16.907 11.146 -0.923 1.00 0.00 O ATOM 0 H GLY A 56 -17.795 11.102 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.119 13.072 1.307 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.640 11.502 1.921 1.00 0.00 H new ATOM 620 N PRO A 57 -14.728 11.587 -0.602 1.00 0.00 N ATOM 621 CA PRO A 57 -14.321 11.170 -1.946 1.00 0.00 C ATOM 622 C PRO A 57 -14.722 9.730 -2.258 1.00 0.00 C ATOM 623 O PRO A 57 -14.829 9.347 -3.423 1.00 0.00 O ATOM 624 CB PRO A 57 -12.794 11.305 -1.923 1.00 0.00 C ATOM 625 CG PRO A 57 -12.510 12.270 -0.822 1.00 0.00 C ATOM 626 CD PRO A 57 -13.584 12.050 0.204 1.00 0.00 C ATOM 0 HA PRO A 57 -14.803 11.773 -2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.315 10.343 -1.739 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.415 11.672 -2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.522 12.097 -0.396 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.524 13.296 -1.189 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.287 11.308 0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.817 12.967 0.746 1.00 0.00 H new ATOM 634 N ALA A 58 -14.942 8.935 -1.214 1.00 0.00 N ATOM 635 CA ALA A 58 -15.330 7.545 -1.390 1.00 0.00 C ATOM 636 C ALA A 58 -16.715 7.442 -2.013 1.00 0.00 C ATOM 637 O ALA A 58 -16.916 6.728 -2.996 1.00 0.00 O ATOM 638 CB ALA A 58 -15.292 6.813 -0.057 1.00 0.00 C ATOM 0 H ALA A 58 -14.858 9.232 -0.242 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.617 7.075 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.585 5.773 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.282 6.851 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.982 7.289 0.639 1.00 0.00 H new ATOM 644 N GLU A 59 -17.667 8.169 -1.438 1.00 0.00 N ATOM 645 CA GLU A 59 -19.036 8.171 -1.938 1.00 0.00 C ATOM 646 C GLU A 59 -19.154 9.054 -3.177 1.00 0.00 C ATOM 647 O GLU A 59 -19.863 8.718 -4.128 1.00 0.00 O ATOM 648 CB GLU A 59 -19.997 8.662 -0.852 1.00 0.00 C ATOM 649 CG GLU A 59 -21.280 7.851 -0.764 1.00 0.00 C ATOM 650 CD GLU A 59 -21.040 6.428 -0.302 1.00 0.00 C ATOM 651 OE1 GLU A 59 -20.506 5.627 -1.099 1.00 0.00 O ATOM 652 OE2 GLU A 59 -21.385 6.113 0.856 1.00 0.00 O ATOM 0 H GLU A 59 -17.515 8.765 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.302 7.150 -2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.490 8.630 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.249 9.705 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.969 8.341 -0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.763 7.835 -1.741 1.00 0.00 H new ATOM 659 N LYS A 60 -18.458 10.188 -3.154 1.00 0.00 N ATOM 660 CA LYS A 60 -18.480 11.131 -4.266 1.00 0.00 C ATOM 661 C LYS A 60 -18.144 10.443 -5.586 1.00 0.00 C ATOM 662 O LYS A 60 -18.832 10.632 -6.589 1.00 0.00 O ATOM 663 CB LYS A 60 -17.495 12.273 -4.011 1.00 0.00 C ATOM 664 CG LYS A 60 -18.077 13.403 -3.178 1.00 0.00 C ATOM 665 CD LYS A 60 -17.544 14.756 -3.625 1.00 0.00 C ATOM 666 CE LYS A 60 -18.635 15.816 -3.609 1.00 0.00 C ATOM 667 NZ LYS A 60 -18.074 17.195 -3.675 1.00 0.00 N ATOM 0 H LYS A 60 -17.869 10.476 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.490 11.534 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.615 11.876 -3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.160 12.673 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.164 13.394 -3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -17.835 13.244 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.728 15.062 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.131 14.672 -4.630 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -19.307 15.657 -4.452 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.231 15.710 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.851 17.887 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.452 17.356 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -17.527 17.306 -4.553 1.00 0.00 H new ATOM 681 N SER A 61 -17.081 9.646 -5.578 1.00 0.00 N ATOM 682 CA SER A 61 -16.654 8.931 -6.775 1.00 0.00 C ATOM 683 C SER A 61 -17.656 7.844 -7.146 1.00 0.00 C ATOM 684 O SER A 61 -18.242 7.868 -8.227 1.00 0.00 O ATOM 685 CB SER A 61 -15.272 8.312 -6.557 1.00 0.00 C ATOM 686 OG SER A 61 -14.245 9.247 -6.840 1.00 0.00 O ATOM 0 H SER A 61 -16.500 9.479 -4.757 1.00 0.00 H new ATOM 0 HA SER A 61 -16.601 9.646 -7.596 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.182 7.969 -5.526 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.157 7.436 -7.196 1.00 0.00 H new ATOM 0 HG SER A 61 -13.511 8.796 -7.307 1.00 0.00 H new ATOM 692 N GLY A 62 -17.840 6.887 -6.243 1.00 0.00 N ATOM 693 CA GLY A 62 -18.763 5.797 -6.495 1.00 0.00 C ATOM 694 C GLY A 62 -18.045 4.500 -6.810 1.00 0.00 C ATOM 695 O GLY A 62 -18.678 3.463 -7.011 1.00 0.00 O ATOM 0 H GLY A 62 -17.366 6.847 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.401 5.655 -5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.415 6.061 -7.328 1.00 0.00 H new ATOM 699 N LYS A 63 -16.717 4.560 -6.849 1.00 0.00 N ATOM 700 CA LYS A 63 -15.903 3.389 -7.136 1.00 0.00 C ATOM 701 C LYS A 63 -15.816 2.483 -5.912 1.00 0.00 C ATOM 702 O LYS A 63 -15.660 1.269 -6.034 1.00 0.00 O ATOM 703 CB LYS A 63 -14.500 3.816 -7.572 1.00 0.00 C ATOM 704 CG LYS A 63 -14.487 4.976 -8.558 1.00 0.00 C ATOM 705 CD LYS A 63 -14.500 4.488 -9.996 1.00 0.00 C ATOM 706 CE LYS A 63 -13.197 3.793 -10.361 1.00 0.00 C ATOM 707 NZ LYS A 63 -12.328 4.653 -11.211 1.00 0.00 N ATOM 0 H LYS A 63 -16.182 5.413 -6.684 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.373 2.833 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.925 4.096 -6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.995 2.962 -8.024 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.353 5.614 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.601 5.588 -8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.333 3.800 -10.140 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -14.664 5.332 -10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.662 3.524 -9.450 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.416 2.865 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.450 4.143 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.828 4.889 -12.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.097 5.528 -10.698 1.00 0.00 H new ATOM 721 N LEU A 64 -15.918 3.087 -4.730 1.00 0.00 N ATOM 722 CA LEU A 64 -15.851 2.338 -3.480 1.00 0.00 C ATOM 723 C LEU A 64 -17.224 2.241 -2.826 1.00 0.00 C ATOM 724 O LEU A 64 -17.788 3.245 -2.391 1.00 0.00 O ATOM 725 CB LEU A 64 -14.866 2.999 -2.514 1.00 0.00 C ATOM 726 CG LEU A 64 -13.390 2.778 -2.844 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.507 3.587 -1.906 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.041 1.297 -2.769 1.00 0.00 C ATOM 0 H LEU A 64 -16.047 4.092 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.505 1.331 -3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.062 4.071 -2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.058 2.623 -1.509 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.210 3.120 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.460 3.417 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.738 4.647 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.690 3.277 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.986 1.159 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.237 0.927 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.650 0.743 -3.484 1.00 0.00 H new ATOM 740 N ASN A 65 -17.752 1.025 -2.754 1.00 0.00 N ATOM 741 CA ASN A 65 -19.055 0.793 -2.146 1.00 0.00 C ATOM 742 C ASN A 65 -18.978 -0.355 -1.147 1.00 0.00 C ATOM 743 O ASN A 65 -18.284 -1.346 -1.380 1.00 0.00 O ATOM 744 CB ASN A 65 -20.099 0.484 -3.220 1.00 0.00 C ATOM 745 CG ASN A 65 -19.784 -0.784 -3.990 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.438 -1.810 -3.814 1.00 0.00 O ATOM 747 ND2 ASN A 65 -18.773 -0.717 -4.846 1.00 0.00 N ATOM 0 H ASN A 65 -17.297 0.184 -3.110 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.354 1.699 -1.618 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -21.079 0.387 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.159 1.322 -3.915 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.511 -1.539 -5.391 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.258 0.156 -4.960 1.00 0.00 H new ATOM 754 N ILE A 66 -19.688 -0.216 -0.031 1.00 0.00 N ATOM 755 CA ILE A 66 -19.696 -1.236 1.007 1.00 0.00 C ATOM 756 C ILE A 66 -19.851 -2.636 0.425 1.00 0.00 C ATOM 757 O ILE A 66 -20.585 -2.844 -0.543 1.00 0.00 O ATOM 758 CB ILE A 66 -20.813 -0.961 2.017 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.620 0.431 2.600 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.828 -2.013 3.120 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.247 0.655 3.191 1.00 0.00 C ATOM 0 H ILE A 66 -20.267 0.598 0.176 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.733 -1.192 1.515 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.776 -1.012 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.795 1.170 1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.371 0.600 3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.631 -1.792 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -20.990 -2.998 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.873 -2.003 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.182 1.668 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.076 -0.061 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.491 0.519 2.417 1.00 0.00 H new ATOM 773 N GLY A 67 -19.146 -3.587 1.019 1.00 0.00 N ATOM 774 CA GLY A 67 -19.202 -4.959 0.552 1.00 0.00 C ATOM 775 C GLY A 67 -18.149 -5.256 -0.501 1.00 0.00 C ATOM 776 O GLY A 67 -18.252 -6.243 -1.227 1.00 0.00 O ATOM 0 H GLY A 67 -18.533 -3.433 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.067 -5.633 1.398 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.191 -5.159 0.140 1.00 0.00 H new ATOM 780 N ASP A 68 -17.132 -4.399 -0.581 1.00 0.00 N ATOM 781 CA ASP A 68 -16.058 -4.577 -1.551 1.00 0.00 C ATOM 782 C ASP A 68 -14.808 -5.137 -0.878 1.00 0.00 C ATOM 783 O ASP A 68 -14.640 -5.013 0.336 1.00 0.00 O ATOM 784 CB ASP A 68 -15.732 -3.247 -2.232 1.00 0.00 C ATOM 785 CG ASP A 68 -16.666 -2.943 -3.388 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.442 -3.841 -3.778 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.621 -1.806 -3.904 1.00 0.00 O ATOM 0 H ASP A 68 -17.031 -3.577 0.014 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.395 -5.289 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.792 -2.443 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.705 -3.271 -2.595 1.00 0.00 H new ATOM 792 N GLN A 69 -13.935 -5.750 -1.669 1.00 0.00 N ATOM 793 CA GLN A 69 -12.703 -6.326 -1.139 1.00 0.00 C ATOM 794 C GLN A 69 -11.475 -5.645 -1.737 1.00 0.00 C ATOM 795 O GLN A 69 -11.141 -5.856 -2.903 1.00 0.00 O ATOM 796 CB GLN A 69 -12.656 -7.830 -1.420 1.00 0.00 C ATOM 797 CG GLN A 69 -13.442 -8.660 -0.419 1.00 0.00 C ATOM 798 CD GLN A 69 -12.619 -9.040 0.795 1.00 0.00 C ATOM 799 OE1 GLN A 69 -12.982 -8.725 1.930 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.503 -9.723 0.565 1.00 0.00 N ATOM 0 H GLN A 69 -14.056 -5.861 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.693 -6.163 -0.061 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.046 -8.017 -2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.617 -8.160 -1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.320 -8.100 -0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.803 -9.565 -0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.240 -9.963 -0.391 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.909 -10.007 1.344 1.00 0.00 H new ATOM 809 N ILE A 70 -10.804 -4.828 -0.929 1.00 0.00 N ATOM 810 CA ILE A 70 -9.612 -4.115 -1.377 1.00 0.00 C ATOM 811 C ILE A 70 -8.366 -4.980 -1.223 1.00 0.00 C ATOM 812 O ILE A 70 -8.025 -5.391 -0.118 1.00 0.00 O ATOM 813 CB ILE A 70 -9.406 -2.804 -0.589 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.734 -2.048 -0.447 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.360 -1.933 -1.271 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.134 -1.804 0.993 1.00 0.00 C ATOM 0 H ILE A 70 -11.066 -4.644 0.039 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.766 -3.878 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.047 -3.052 0.410 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.656 -1.091 -0.962 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.521 -2.614 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.227 -1.012 -0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.413 -2.471 -1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.690 -1.691 -2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.081 -1.266 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.244 -2.759 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.365 -1.212 1.489 1.00 0.00 H new ATOM 828 N MET A 71 -7.694 -5.258 -2.335 1.00 0.00 N ATOM 829 CA MET A 71 -6.491 -6.084 -2.312 1.00 0.00 C ATOM 830 C MET A 71 -5.268 -5.284 -1.884 1.00 0.00 C ATOM 831 O MET A 71 -4.679 -5.550 -0.835 1.00 0.00 O ATOM 832 CB MET A 71 -6.244 -6.707 -3.686 1.00 0.00 C ATOM 833 CG MET A 71 -7.043 -7.974 -3.930 1.00 0.00 C ATOM 834 SD MET A 71 -8.805 -7.650 -4.135 1.00 0.00 S ATOM 835 CE MET A 71 -9.466 -8.511 -2.711 1.00 0.00 C ATOM 0 H MET A 71 -7.960 -4.925 -3.261 1.00 0.00 H new ATOM 0 HA MET A 71 -6.653 -6.875 -1.579 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.492 -5.977 -4.457 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.182 -6.931 -3.789 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.663 -8.474 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.897 -8.658 -3.094 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.327 -9.107 -3.014 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.700 -9.165 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.774 -7.786 -1.958 1.00 0.00 H new ATOM 845 N SER A 72 -4.877 -4.313 -2.701 1.00 0.00 N ATOM 846 CA SER A 72 -3.710 -3.492 -2.399 1.00 0.00 C ATOM 847 C SER A 72 -4.001 -2.010 -2.608 1.00 0.00 C ATOM 848 O SER A 72 -4.774 -1.634 -3.489 1.00 0.00 O ATOM 849 CB SER A 72 -2.526 -3.918 -3.266 1.00 0.00 C ATOM 850 OG SER A 72 -2.527 -5.318 -3.479 1.00 0.00 O ATOM 0 H SER A 72 -5.348 -4.075 -3.574 1.00 0.00 H new ATOM 0 HA SER A 72 -3.461 -3.642 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.569 -3.401 -4.225 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.594 -3.621 -2.785 1.00 0.00 H new ATOM 0 HG SER A 72 -1.761 -5.564 -4.038 1.00 0.00 H new ATOM 856 N ILE A 73 -3.369 -1.174 -1.790 1.00 0.00 N ATOM 857 CA ILE A 73 -3.546 0.265 -1.876 1.00 0.00 C ATOM 858 C ILE A 73 -2.249 0.945 -2.310 1.00 0.00 C ATOM 859 O ILE A 73 -1.253 0.924 -1.587 1.00 0.00 O ATOM 860 CB ILE A 73 -3.998 0.844 -0.523 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.326 0.217 -0.094 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.118 2.354 -0.601 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.263 -0.456 1.257 1.00 0.00 C ATOM 0 H ILE A 73 -2.727 -1.474 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.318 0.458 -2.621 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.244 0.602 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.094 0.990 -0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.632 -0.514 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.439 2.744 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.151 2.783 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.851 2.622 -1.362 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.238 -0.879 1.499 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.518 -1.252 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.987 0.276 2.016 1.00 0.00 H new ATOM 875 N ASN A 74 -2.269 1.546 -3.495 1.00 0.00 N ATOM 876 CA ASN A 74 -1.094 2.228 -4.026 1.00 0.00 C ATOM 877 C ASN A 74 0.089 1.271 -4.159 1.00 0.00 C ATOM 878 O ASN A 74 1.243 1.698 -4.194 1.00 0.00 O ATOM 879 CB ASN A 74 -0.710 3.405 -3.124 1.00 0.00 C ATOM 880 CG ASN A 74 -1.583 4.621 -3.356 1.00 0.00 C ATOM 881 OD1 ASN A 74 -1.245 5.500 -4.149 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.713 4.679 -2.662 1.00 0.00 N ATOM 0 H ASN A 74 -3.085 1.575 -4.106 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.346 2.601 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.787 3.100 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.332 3.670 -3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.341 5.475 -2.775 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.954 3.928 -2.015 1.00 0.00 H new ATOM 889 N GLY A 75 -0.204 -0.024 -4.236 1.00 0.00 N ATOM 890 CA GLY A 75 0.849 -1.015 -4.368 1.00 0.00 C ATOM 891 C GLY A 75 0.985 -1.892 -3.138 1.00 0.00 C ATOM 892 O GLY A 75 1.400 -3.047 -3.235 1.00 0.00 O ATOM 0 H GLY A 75 -1.150 -0.404 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.645 -1.642 -5.236 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.796 -0.510 -4.555 1.00 0.00 H new ATOM 896 N THR A 76 0.635 -1.344 -1.978 1.00 0.00 N ATOM 897 CA THR A 76 0.722 -2.087 -0.727 1.00 0.00 C ATOM 898 C THR A 76 -0.301 -3.217 -0.693 1.00 0.00 C ATOM 899 O THR A 76 -1.502 -2.979 -0.566 1.00 0.00 O ATOM 900 CB THR A 76 0.506 -1.152 0.458 1.00 0.00 C ATOM 901 OG1 THR A 76 1.170 0.083 0.252 1.00 0.00 O ATOM 902 CG2 THR A 76 0.993 -1.724 1.772 1.00 0.00 C ATOM 0 H THR A 76 0.289 -0.390 -1.879 1.00 0.00 H new ATOM 0 HA THR A 76 1.719 -2.523 -0.660 1.00 0.00 H new ATOM 0 HB THR A 76 -0.573 -1.013 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.017 0.669 1.023 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.808 -1.007 2.572 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.460 -2.651 1.985 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.062 -1.927 1.707 1.00 0.00 H new ATOM 910 N SER A 77 0.182 -4.451 -0.808 1.00 0.00 N ATOM 911 CA SER A 77 -0.689 -5.620 -0.794 1.00 0.00 C ATOM 912 C SER A 77 -1.283 -5.847 0.594 1.00 0.00 C ATOM 913 O SER A 77 -0.593 -5.717 1.604 1.00 0.00 O ATOM 914 CB SER A 77 0.083 -6.862 -1.238 1.00 0.00 C ATOM 915 OG SER A 77 -0.793 -7.862 -1.728 1.00 0.00 O ATOM 0 H SER A 77 1.174 -4.666 -0.912 1.00 0.00 H new ATOM 0 HA SER A 77 -1.506 -5.437 -1.492 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.799 -6.590 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.656 -7.256 -0.399 1.00 0.00 H new ATOM 0 HG SER A 77 -0.273 -8.645 -2.007 1.00 0.00 H new ATOM 921 N LEU A 78 -2.568 -6.187 0.631 1.00 0.00 N ATOM 922 CA LEU A 78 -3.259 -6.434 1.893 1.00 0.00 C ATOM 923 C LEU A 78 -3.613 -7.911 2.045 1.00 0.00 C ATOM 924 O LEU A 78 -3.804 -8.401 3.158 1.00 0.00 O ATOM 925 CB LEU A 78 -4.532 -5.592 1.974 1.00 0.00 C ATOM 926 CG LEU A 78 -4.343 -4.097 1.714 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.680 -3.373 1.766 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.371 -3.502 2.722 1.00 0.00 C ATOM 0 H LEU A 78 -3.152 -6.298 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.586 -6.152 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.252 -5.981 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.970 -5.720 2.964 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.924 -3.970 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.526 -2.310 1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.345 -3.783 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.128 -3.507 2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.247 -2.437 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.762 -3.640 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.406 -4.002 2.636 1.00 0.00 H new ATOM 940 N VAL A 79 -3.707 -8.614 0.922 1.00 0.00 N ATOM 941 CA VAL A 79 -4.045 -10.030 0.935 1.00 0.00 C ATOM 942 C VAL A 79 -3.038 -10.835 1.751 1.00 0.00 C ATOM 943 O VAL A 79 -1.970 -11.194 1.255 1.00 0.00 O ATOM 944 CB VAL A 79 -4.107 -10.606 -0.493 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.597 -12.046 -0.471 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.997 -9.745 -1.378 1.00 0.00 C ATOM 0 H VAL A 79 -3.554 -8.225 -0.008 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.029 -10.112 1.398 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.100 -10.598 -0.911 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.633 -12.434 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.915 -12.653 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.594 -12.084 -0.032 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.029 -10.167 -2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.005 -9.718 -0.964 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.596 -8.733 -1.422 1.00 0.00 H new ATOM 956 N GLY A 80 -3.386 -11.128 3.002 1.00 0.00 N ATOM 957 CA GLY A 80 -2.498 -11.901 3.854 1.00 0.00 C ATOM 958 C GLY A 80 -2.265 -11.268 5.215 1.00 0.00 C ATOM 959 O GLY A 80 -2.017 -11.972 6.193 1.00 0.00 O ATOM 0 H GLY A 80 -4.263 -10.845 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.916 -12.898 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.539 -12.024 3.350 1.00 0.00 H new ATOM 963 N LEU A 81 -2.333 -9.943 5.282 1.00 0.00 N ATOM 964 CA LEU A 81 -2.115 -9.235 6.542 1.00 0.00 C ATOM 965 C LEU A 81 -3.434 -8.915 7.243 1.00 0.00 C ATOM 966 O LEU A 81 -4.494 -8.898 6.618 1.00 0.00 O ATOM 967 CB LEU A 81 -1.323 -7.945 6.309 1.00 0.00 C ATOM 968 CG LEU A 81 -1.650 -7.201 5.015 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.470 -5.702 5.204 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.774 -7.707 3.879 1.00 0.00 C ATOM 0 H LEU A 81 -2.536 -9.339 4.485 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.538 -9.896 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.500 -7.273 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.260 -8.186 6.311 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.692 -7.391 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.707 -5.187 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.137 -5.352 5.992 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.437 -5.492 5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.018 -7.168 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.275 -7.544 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.950 -8.772 3.731 1.00 0.00 H new ATOM 982 N PRO A 82 -3.378 -8.656 8.562 1.00 0.00 N ATOM 983 CA PRO A 82 -4.566 -8.334 9.366 1.00 0.00 C ATOM 984 C PRO A 82 -5.203 -7.008 8.962 1.00 0.00 C ATOM 985 O PRO A 82 -4.710 -6.317 8.073 1.00 0.00 O ATOM 986 CB PRO A 82 -4.018 -8.244 10.794 1.00 0.00 C ATOM 987 CG PRO A 82 -2.570 -7.939 10.624 1.00 0.00 C ATOM 988 CD PRO A 82 -2.149 -8.658 9.378 1.00 0.00 C ATOM 0 HA PRO A 82 -5.352 -9.079 9.240 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.523 -7.464 11.364 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.165 -9.179 11.334 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.404 -6.866 10.532 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.994 -8.278 11.485 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.329 -8.146 8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.808 -9.671 9.592 1.00 0.00 H new ATOM 996 N LEU A 83 -6.302 -6.659 9.627 1.00 0.00 N ATOM 997 CA LEU A 83 -7.011 -5.415 9.340 1.00 0.00 C ATOM 998 C LEU A 83 -6.227 -4.207 9.845 1.00 0.00 C ATOM 999 O LEU A 83 -6.178 -3.170 9.185 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.403 -5.439 9.978 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.103 -4.079 10.068 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.377 -3.525 8.679 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.395 -4.196 10.865 1.00 0.00 C ATOM 0 H LEU A 83 -6.721 -7.221 10.368 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.114 -5.328 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.036 -6.118 9.406 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.318 -5.853 10.983 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.442 -3.385 10.587 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.874 -2.559 8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.435 -3.402 8.144 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.018 -4.216 8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.879 -3.221 10.919 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.062 -4.905 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.170 -4.546 11.873 1.00 0.00 H new ATOM 1015 N SER A 84 -5.617 -4.345 11.018 1.00 0.00 N ATOM 1016 CA SER A 84 -4.840 -3.258 11.605 1.00 0.00 C ATOM 1017 C SER A 84 -3.800 -2.753 10.613 1.00 0.00 C ATOM 1018 O SER A 84 -3.644 -1.545 10.414 1.00 0.00 O ATOM 1019 CB SER A 84 -4.153 -3.728 12.888 1.00 0.00 C ATOM 1020 OG SER A 84 -3.666 -2.628 13.637 1.00 0.00 O ATOM 0 H SER A 84 -5.645 -5.196 11.580 1.00 0.00 H new ATOM 0 HA SER A 84 -5.520 -2.441 11.848 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.856 -4.301 13.492 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.329 -4.396 12.639 1.00 0.00 H new ATOM 0 HG SER A 84 -3.233 -2.954 14.453 1.00 0.00 H new ATOM 1026 N THR A 85 -3.098 -3.687 9.985 1.00 0.00 N ATOM 1027 CA THR A 85 -2.078 -3.345 9.008 1.00 0.00 C ATOM 1028 C THR A 85 -2.684 -2.604 7.823 1.00 0.00 C ATOM 1029 O THR A 85 -2.197 -1.545 7.435 1.00 0.00 O ATOM 1030 CB THR A 85 -1.364 -4.603 8.527 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.889 -5.363 9.625 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.185 -4.314 7.624 1.00 0.00 C ATOM 0 H THR A 85 -3.218 -4.689 10.137 1.00 0.00 H new ATOM 0 HA THR A 85 -1.355 -2.687 9.490 1.00 0.00 H new ATOM 0 HB THR A 85 -2.110 -5.157 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.436 -6.167 9.295 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.278 -5.252 7.318 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.527 -3.773 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.545 -3.708 8.161 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.750 -3.165 7.249 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.418 -2.551 6.102 1.00 0.00 C ATOM 1042 C CYS A 86 -4.842 -1.121 6.409 1.00 0.00 C ATOM 1043 O CYS A 86 -4.472 -0.187 5.696 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.638 -3.377 5.693 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.307 -5.144 5.504 1.00 0.00 S ATOM 0 H CYS A 86 -4.168 -4.042 7.560 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.706 -2.527 5.277 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.420 -3.243 6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.027 -2.989 4.751 1.00 0.00 H new ATOM 0 HG CYS A 86 -4.774 -5.605 6.597 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.620 -0.949 7.476 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.084 0.376 7.869 1.00 0.00 C ATOM 1053 C GLN A 87 -4.916 1.354 7.911 1.00 0.00 C ATOM 1054 O GLN A 87 -5.033 2.500 7.481 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.779 0.316 9.228 1.00 0.00 C ATOM 1056 CG GLN A 87 -8.056 -0.510 9.214 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.649 -0.698 10.597 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.846 -0.503 10.802 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.813 -1.082 11.552 1.00 0.00 N ATOM 0 H GLN A 87 -5.940 -1.707 8.079 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.804 0.726 7.129 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.091 -0.104 9.962 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.013 1.329 9.554 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.791 -0.024 8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.847 -1.487 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.827 -1.232 11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.156 -1.227 12.502 1.00 0.00 H new ATOM 1068 N SER A 88 -3.781 0.882 8.421 1.00 0.00 N ATOM 1069 CA SER A 88 -2.586 1.704 8.502 1.00 0.00 C ATOM 1070 C SER A 88 -2.108 2.089 7.102 1.00 0.00 C ATOM 1071 O SER A 88 -1.636 3.204 6.879 1.00 0.00 O ATOM 1072 CB SER A 88 -1.479 0.963 9.257 1.00 0.00 C ATOM 1073 OG SER A 88 -0.657 0.220 8.372 1.00 0.00 O ATOM 0 H SER A 88 -3.668 -0.065 8.783 1.00 0.00 H new ATOM 0 HA SER A 88 -2.829 2.615 9.048 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.869 1.680 9.807 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.924 0.292 9.992 1.00 0.00 H new ATOM 0 HG SER A 88 -1.028 -0.680 8.259 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.242 1.155 6.161 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.828 1.391 4.784 1.00 0.00 C ATOM 1081 C ILE A 89 -2.554 2.590 4.195 1.00 0.00 C ATOM 1082 O ILE A 89 -1.934 3.486 3.621 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.119 0.163 3.903 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.613 -1.110 4.577 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.490 0.329 2.532 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.137 -1.076 4.910 1.00 0.00 C ATOM 0 H ILE A 89 -2.634 0.229 6.330 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.755 1.584 4.801 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.198 0.078 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.180 -1.275 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.810 -1.960 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.707 -0.549 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.900 1.216 2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.411 0.440 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.150 -2.013 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.440 -0.942 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.064 -0.248 5.589 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.872 2.604 4.344 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.684 3.687 3.835 1.00 0.00 C ATOM 1100 C ILE A 90 -4.489 4.954 4.659 1.00 0.00 C ATOM 1101 O ILE A 90 -4.354 6.049 4.114 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.168 3.309 3.850 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.388 1.945 3.194 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.966 4.377 3.143 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.776 1.383 3.421 1.00 0.00 C ATOM 0 H ILE A 90 -4.399 1.870 4.817 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.366 3.874 2.809 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.506 3.238 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.211 2.033 2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.652 1.241 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.022 4.109 3.153 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.829 5.331 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.624 4.464 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.862 0.415 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.949 1.262 4.490 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.517 2.067 3.008 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.481 4.794 5.975 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.305 5.926 6.879 1.00 0.00 C ATOM 1119 C LYS A 91 -3.031 6.691 6.547 1.00 0.00 C ATOM 1120 O LYS A 91 -2.919 7.885 6.824 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.270 5.450 8.332 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.631 5.471 9.011 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.806 4.287 9.951 1.00 0.00 C ATOM 1124 CE LYS A 91 -6.042 4.740 11.384 1.00 0.00 C ATOM 1125 NZ LYS A 91 -7.492 4.822 11.710 1.00 0.00 N ATOM 0 H LYS A 91 -4.594 3.894 6.441 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.154 6.597 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.873 4.436 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.582 6.080 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.745 6.400 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.416 5.455 8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.647 3.678 9.618 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.919 3.655 9.910 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.555 4.046 12.069 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.580 5.715 11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.636 5.501 12.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.019 5.137 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.835 3.885 12.003 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.080 5.997 5.939 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.830 6.624 5.560 1.00 0.00 C ATOM 1141 C GLY A 92 -1.023 7.678 4.487 1.00 0.00 C ATOM 1142 O GLY A 92 -0.565 8.811 4.627 1.00 0.00 O ATOM 0 H GLY A 92 -2.152 5.008 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.373 7.081 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.138 5.863 5.200 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.711 7.301 3.412 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.974 8.221 2.306 1.00 0.00 C ATOM 1148 C LEU A 93 -3.127 9.165 2.643 1.00 0.00 C ATOM 1149 O LEU A 93 -4.154 9.176 1.966 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.285 7.450 1.022 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.317 6.333 1.163 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.696 6.820 0.746 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.906 5.117 0.346 1.00 0.00 C ATOM 0 H LEU A 93 -2.097 6.366 3.282 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.075 8.816 2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.639 8.156 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.358 7.020 0.643 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.362 6.040 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.416 6.009 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.993 7.656 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.668 7.144 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.654 4.332 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.828 5.394 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.941 4.752 0.697 1.00 0.00 H new ATOM 1165 N LYS A 94 -2.949 9.956 3.696 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.975 10.902 4.123 1.00 0.00 C ATOM 1167 C LYS A 94 -3.841 12.236 3.391 1.00 0.00 C ATOM 1168 O LYS A 94 -4.818 12.968 3.240 1.00 0.00 O ATOM 1169 CB LYS A 94 -3.890 11.126 5.634 1.00 0.00 C ATOM 1170 CG LYS A 94 -4.918 12.113 6.163 1.00 0.00 C ATOM 1171 CD LYS A 94 -5.142 11.940 7.656 1.00 0.00 C ATOM 1172 CE LYS A 94 -3.941 12.416 8.460 1.00 0.00 C ATOM 1173 NZ LYS A 94 -3.070 11.284 8.878 1.00 0.00 N ATOM 0 H LYS A 94 -2.105 9.961 4.269 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.947 10.475 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.021 10.171 6.142 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -2.892 11.485 5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.584 13.131 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.861 11.975 5.634 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.028 12.498 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.336 10.890 7.877 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.361 13.120 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.285 12.955 9.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.263 11.650 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.617 10.625 9.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.721 10.785 8.035 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.629 12.551 2.947 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.377 13.804 2.241 1.00 0.00 C ATOM 1189 C ASN A 95 -2.118 13.562 0.755 1.00 0.00 C ATOM 1190 O ASN A 95 -1.117 14.022 0.207 1.00 0.00 O ATOM 1191 CB ASN A 95 -1.186 14.535 2.868 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.010 13.614 3.122 1.00 0.00 C ATOM 1193 OD1 ASN A 95 0.853 13.436 2.261 1.00 0.00 O ATOM 1194 ND2 ASN A 95 0.034 13.022 4.310 1.00 0.00 N ATOM 0 H ASN A 95 -1.807 11.958 3.063 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.268 14.425 2.333 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.873 15.345 2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.497 14.990 3.808 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.803 12.392 4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.702 13.197 4.995 1.00 0.00 H new ATOM 1201 N GLN A 96 -3.024 12.833 0.110 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.889 12.531 -1.308 1.00 0.00 C ATOM 1203 C GLN A 96 -3.918 13.280 -2.143 1.00 0.00 C ATOM 1204 O GLN A 96 -4.918 13.776 -1.624 1.00 0.00 O ATOM 1205 CB GLN A 96 -3.048 11.030 -1.542 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.729 10.295 -1.579 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.841 8.899 -2.163 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -0.930 8.425 -2.844 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -2.959 8.233 -1.903 1.00 0.00 N ATOM 0 H GLN A 96 -3.858 12.442 0.548 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.895 12.854 -1.618 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.670 10.609 -0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.574 10.868 -2.483 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -1.015 10.872 -2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -1.329 10.228 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.688 8.663 -1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.089 7.291 -2.272 1.00 0.00 H new ATOM 1218 N SER A 97 -3.669 13.333 -3.445 1.00 0.00 N ATOM 1219 CA SER A 97 -4.574 13.991 -4.374 1.00 0.00 C ATOM 1220 C SER A 97 -5.474 12.964 -5.056 1.00 0.00 C ATOM 1221 O SER A 97 -6.449 13.316 -5.720 1.00 0.00 O ATOM 1222 CB SER A 97 -3.783 14.783 -5.416 1.00 0.00 C ATOM 1223 OG SER A 97 -3.398 13.958 -6.503 1.00 0.00 O ATOM 0 H SER A 97 -2.842 12.925 -3.882 1.00 0.00 H new ATOM 0 HA SER A 97 -5.202 14.685 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.388 15.613 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.896 15.215 -4.952 1.00 0.00 H new ATOM 0 HG SER A 97 -2.895 14.490 -7.155 1.00 0.00 H new ATOM 1229 N ARG A 98 -5.140 11.687 -4.875 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.912 10.592 -5.455 1.00 0.00 C ATOM 1231 C ARG A 98 -5.540 9.274 -4.790 1.00 0.00 C ATOM 1232 O ARG A 98 -4.417 9.105 -4.314 1.00 0.00 O ATOM 1233 CB ARG A 98 -5.708 10.518 -6.969 1.00 0.00 C ATOM 1234 CG ARG A 98 -4.274 10.747 -7.413 1.00 0.00 C ATOM 1235 CD ARG A 98 -3.345 9.685 -6.859 1.00 0.00 C ATOM 1236 NE ARG A 98 -2.469 10.223 -5.825 1.00 0.00 N ATOM 1237 CZ ARG A 98 -1.271 9.722 -5.526 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -0.818 8.645 -6.156 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -0.530 10.295 -4.588 1.00 0.00 N ATOM 0 H ARG A 98 -4.334 11.385 -4.327 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.970 10.783 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.034 9.540 -7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.348 11.259 -7.448 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.224 10.744 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.942 11.731 -7.082 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -3.934 8.865 -6.447 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.743 9.270 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.793 11.034 -5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.388 8.196 -6.873 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.100 8.266 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.877 11.118 -4.096 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.387 9.912 -4.358 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.490 8.347 -4.733 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.251 7.056 -4.095 1.00 0.00 C ATOM 1255 C VAL A 99 -6.434 5.895 -5.066 1.00 0.00 C ATOM 1256 O VAL A 99 -7.520 5.680 -5.599 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.190 6.847 -2.894 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.753 5.641 -2.079 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.240 8.098 -2.028 1.00 0.00 C ATOM 0 H VAL A 99 -7.427 8.463 -5.118 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.215 7.071 -3.755 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.195 6.656 -3.271 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.429 5.509 -1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.778 4.750 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.739 5.798 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.909 7.930 -1.184 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.240 8.325 -1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.607 8.936 -2.620 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.361 5.133 -5.271 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.397 3.974 -6.156 1.00 0.00 C ATOM 1271 C LYS A 100 -5.603 2.705 -5.340 1.00 0.00 C ATOM 1272 O LYS A 100 -4.778 2.365 -4.491 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.097 3.874 -6.957 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.047 4.815 -8.148 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.575 4.105 -9.408 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.675 4.041 -10.454 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.608 2.792 -11.260 1.00 0.00 N ATOM 0 H LYS A 100 -4.454 5.299 -4.834 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.228 4.091 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.256 4.089 -6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.973 2.849 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.037 5.239 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.378 5.647 -7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.710 4.626 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.249 3.095 -9.158 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.646 4.103 -9.963 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.596 4.904 -11.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.211 2.889 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.625 2.622 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.941 1.991 -10.687 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.712 2.011 -5.581 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.010 0.792 -4.837 1.00 0.00 C ATOM 1293 C LEU A 101 -7.541 -0.306 -5.736 1.00 0.00 C ATOM 1294 O LEU A 101 -8.614 -0.182 -6.319 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.035 1.057 -3.734 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.191 2.517 -3.317 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.645 2.946 -3.418 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.656 2.719 -1.910 1.00 0.00 C ATOM 0 H LEU A 101 -7.412 2.268 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.068 0.464 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.005 0.687 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.756 0.475 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.610 3.142 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.738 3.989 -3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.987 2.833 -4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.254 2.324 -2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.772 3.764 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.211 2.088 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.600 2.450 -1.880 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.810 -1.398 -5.802 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.229 -2.544 -6.594 1.00 0.00 C ATOM 1312 C ASN A 102 -8.148 -3.419 -5.756 1.00 0.00 C ATOM 1313 O ASN A 102 -7.686 -4.226 -4.949 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.018 -3.343 -7.079 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.665 -3.027 -8.518 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.504 -2.786 -8.849 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.672 -3.025 -9.385 1.00 0.00 N ATOM 0 H ASN A 102 -5.921 -1.521 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.767 -2.193 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.162 -3.126 -6.440 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.225 -4.409 -6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.498 -2.818 -10.368 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.619 -3.230 -9.067 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.452 -3.229 -5.919 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.429 -3.980 -5.140 1.00 0.00 C ATOM 1326 C ILE A 103 -11.364 -4.797 -6.022 1.00 0.00 C ATOM 1327 O ILE A 103 -11.386 -4.642 -7.242 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.255 -3.034 -4.235 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.471 -2.467 -4.971 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.384 -1.894 -3.724 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.440 -1.769 -4.051 1.00 0.00 C ATOM 0 H ILE A 103 -9.856 -2.565 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.866 -4.675 -4.517 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.615 -3.622 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.133 -1.766 -5.734 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.987 -3.276 -5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.979 -1.238 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.553 -2.301 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.995 -1.326 -4.569 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.281 -1.388 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.804 -2.474 -3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.937 -0.940 -3.554 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.151 -5.658 -5.384 1.00 0.00 N ATOM 1344 CA VAL A 104 -13.110 -6.495 -6.089 1.00 0.00 C ATOM 1345 C VAL A 104 -14.531 -6.013 -5.817 1.00 0.00 C ATOM 1346 O VAL A 104 -15.015 -6.084 -4.685 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.989 -7.972 -5.674 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.852 -8.850 -6.567 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -11.534 -8.422 -5.714 1.00 0.00 C ATOM 0 H VAL A 104 -12.141 -5.793 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.888 -6.417 -7.153 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.347 -8.073 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.754 -9.891 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.894 -8.543 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -13.527 -8.746 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -11.469 -9.469 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.145 -8.306 -6.726 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.946 -7.813 -5.027 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.189 -5.511 -6.857 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.549 -5.003 -6.734 1.00 0.00 C ATOM 1361 C ARG A 105 -17.579 -6.105 -6.955 1.00 0.00 C ATOM 1362 O ARG A 105 -17.408 -6.966 -7.819 1.00 0.00 O ATOM 1363 CB ARG A 105 -16.778 -3.874 -7.738 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.834 -2.880 -7.297 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.685 -2.414 -8.467 1.00 0.00 C ATOM 1366 NE ARG A 105 -19.597 -1.337 -8.088 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.119 -0.467 -8.951 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -19.828 -0.545 -10.243 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -20.937 0.484 -8.518 1.00 0.00 N ATOM 0 H ARG A 105 -14.800 -5.445 -7.798 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.672 -4.622 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.838 -3.346 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.072 -4.304 -8.696 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.472 -3.337 -6.541 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.353 -2.020 -6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.036 -2.072 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.259 -3.255 -8.855 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.849 -1.246 -7.104 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -19.201 -1.275 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -20.232 0.125 -10.898 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.165 0.548 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -21.338 1.151 -9.177 1.00 0.00 H new TER 1383 ARG A 105 ATOM 1384 N PRO B -3 -16.656 2.015 14.158 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.330 1.601 13.690 1.00 0.00 C ATOM 1386 C PRO B -3 -14.458 2.785 13.288 1.00 0.00 C ATOM 1387 O PRO B -3 -14.909 3.931 13.288 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.656 0.742 12.470 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.912 1.328 11.927 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.687 1.837 13.116 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.626 2.994 14.442 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.910 1.472 14.984 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.762 1.084 14.463 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.852 0.775 11.735 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.793 -0.304 12.746 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.694 2.136 11.229 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.486 0.580 11.380 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.195 2.775 12.891 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.453 1.127 13.428 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.208 2.500 12.939 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.272 3.540 12.529 1.00 0.00 C ATOM 1400 C VAL B -2 -12.433 3.861 11.047 1.00 0.00 C ATOM 1401 O VAL B -2 -13.000 3.073 10.291 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.814 3.127 12.799 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.563 2.998 14.293 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -10.486 1.826 12.082 1.00 0.00 C ATOM 0 H VAL B -2 -12.820 1.557 12.932 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.501 4.426 13.121 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.158 3.905 12.410 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.527 2.705 14.464 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -10.754 3.955 14.778 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -11.227 2.241 14.710 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -9.451 1.550 12.285 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.148 1.037 12.438 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -10.623 1.958 11.009 1.00 0.00 H new ATOM 1414 N TYR B -1 -11.932 5.021 10.636 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.026 5.441 9.242 1.00 0.00 C ATOM 1416 C TYR B -1 -10.643 5.647 8.634 1.00 0.00 C ATOM 1417 O TYR B -1 -9.658 5.830 9.349 1.00 0.00 O ATOM 1418 CB TYR B -1 -12.831 6.737 9.133 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.323 6.520 9.017 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.006 5.748 9.948 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.048 7.094 7.982 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.371 5.552 9.849 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.413 6.906 7.877 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.069 6.135 8.813 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.428 5.943 8.710 1.00 0.00 O ATOM 0 H TYR B -1 -11.458 5.686 11.247 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.533 4.650 8.689 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -12.630 7.354 10.009 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.486 7.296 8.263 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.462 5.293 10.763 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -14.537 7.698 7.247 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.887 4.946 10.579 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -16.963 7.361 7.066 1.00 0.00 H new ATOM 0 HH TYR B -1 -18.744 6.296 7.852 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.583 5.629 7.306 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.329 5.826 6.593 1.00 0.00 C ATOM 1437 C ILE B 0 -9.534 6.726 5.384 1.00 0.00 C ATOM 1438 O ILE B 0 -10.703 7.043 5.081 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.711 4.488 6.135 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.677 3.712 5.231 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.328 3.647 7.343 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.935 4.368 3.890 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.526 7.094 4.743 1.00 0.00 O ATOM 0 H ILE B 0 -11.391 5.479 6.702 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.639 6.302 7.290 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.814 4.709 5.557 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.276 2.713 5.063 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.627 3.591 5.752 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.893 2.705 7.008 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.600 4.188 7.947 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.216 3.444 7.941 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.628 3.756 3.313 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.367 5.356 4.046 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -8.996 4.465 3.345 1.00 0.00 H new TER 1455 ILE B 0