USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 56 ASN : amide:sc= -7.4 X(o=-12,f=-12!) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= -1.05 USER MOD Set 1.3: A 100 GLN : amide:sc= -3.79 K(o=-12,f=-15!) USER MOD Single : A 27 SER OG : rot 37:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -0.0258 (180deg=-0.24) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -11.7! C(o=-12!,f=-15!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.091) USER MOD Single : A 51 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.02) USER MOD Single : A 52 ASN : amide:sc= -7.65! C(o=-7.7!,f=-8.2!) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0484) USER MOD Single : A 55 LYS NZ :NH3+ 151:sc= -0.174 (180deg=-0.762) USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= 1.01 (180deg=0.892) USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.228) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -143:sc= -0.267 (180deg=-0.983) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 150:sc= -1.37! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 80 ASN : amide:sc= -1.07 K(o=-1.1,f=-6.1!) USER MOD Single : A 83 CYS SG : rot -96:sc= 1.41 USER MOD Single : A 88 THR OG1 : rot 158:sc= 1.14 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.2!) USER MOD Single : A 94 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.9!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= 0.344 (180deg=-2.14!) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0686 X(o=-0.069,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -7.762 -14.592 -8.234 1.00 0.00 N ATOM 16 CA SER A 27 -8.544 -13.501 -7.665 1.00 0.00 C ATOM 17 C SER A 27 -7.784 -12.182 -7.759 1.00 0.00 C ATOM 18 O SER A 27 -6.577 -12.129 -7.524 1.00 0.00 O ATOM 19 CB SER A 27 -8.896 -13.802 -6.206 1.00 0.00 C ATOM 20 OG SER A 27 -10.241 -14.232 -6.085 1.00 0.00 O ATOM 0 HA SER A 27 -9.466 -13.409 -8.239 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.228 -14.572 -5.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.740 -12.910 -5.599 1.00 0.00 H new ATOM 0 HG SER A 27 -10.479 -14.783 -6.860 1.00 0.00 H new ATOM 25 N LYS A 28 -8.500 -11.119 -8.106 1.00 0.00 N ATOM 26 CA LYS A 28 -7.894 -9.799 -8.232 1.00 0.00 C ATOM 27 C LYS A 28 -8.717 -8.755 -7.487 1.00 0.00 C ATOM 28 O LYS A 28 -9.942 -8.714 -7.605 1.00 0.00 O ATOM 29 CB LYS A 28 -7.768 -9.411 -9.706 1.00 0.00 C ATOM 30 CG LYS A 28 -6.984 -8.128 -9.934 1.00 0.00 C ATOM 31 CD LYS A 28 -5.490 -8.395 -10.010 1.00 0.00 C ATOM 32 CE LYS A 28 -4.806 -7.459 -10.994 1.00 0.00 C ATOM 33 NZ LYS A 28 -3.551 -8.046 -11.538 1.00 0.00 N ATOM 0 H LYS A 28 -9.500 -11.145 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.899 -9.837 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.283 -10.224 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.766 -9.297 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.318 -7.656 -10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.189 -7.427 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.047 -8.273 -9.022 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.319 -9.429 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.487 -7.234 -11.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.580 -6.514 -10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.115 -7.377 -12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.890 -8.237 -10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.769 -8.935 -12.032 1.00 0.00 H new ATOM 47 N GLN A 29 -8.037 -7.912 -6.719 1.00 0.00 N ATOM 48 CA GLN A 29 -8.706 -6.868 -5.953 1.00 0.00 C ATOM 49 C GLN A 29 -7.935 -5.559 -6.034 1.00 0.00 C ATOM 50 O GLN A 29 -6.705 -5.549 -6.070 1.00 0.00 O ATOM 51 CB GLN A 29 -8.871 -7.297 -4.494 1.00 0.00 C ATOM 52 CG GLN A 29 -9.654 -8.589 -4.327 1.00 0.00 C ATOM 53 CD GLN A 29 -11.048 -8.506 -4.919 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.513 -7.428 -5.294 1.00 0.00 O ATOM 55 NE2 GLN A 29 -11.724 -9.646 -5.005 1.00 0.00 N ATOM 0 H GLN A 29 -7.023 -7.931 -6.610 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.694 -6.711 -6.385 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.885 -7.418 -4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.375 -6.502 -3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.109 -9.404 -4.803 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.727 -8.831 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.300 -10.516 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.667 -9.652 -5.394 1.00 0.00 H new ATOM 64 N GLU A 30 -8.669 -4.455 -6.080 1.00 0.00 N ATOM 65 CA GLU A 30 -8.056 -3.141 -6.173 1.00 0.00 C ATOM 66 C GLU A 30 -8.714 -2.153 -5.213 1.00 0.00 C ATOM 67 O GLU A 30 -9.938 -2.119 -5.080 1.00 0.00 O ATOM 68 CB GLU A 30 -8.141 -2.633 -7.613 1.00 0.00 C ATOM 69 CG GLU A 30 -9.540 -2.217 -8.042 1.00 0.00 C ATOM 70 CD GLU A 30 -9.617 -0.759 -8.450 1.00 0.00 C ATOM 71 OE1 GLU A 30 -9.462 0.113 -7.569 1.00 0.00 O ATOM 72 OE2 GLU A 30 -9.831 -0.489 -9.651 1.00 0.00 O ATOM 0 H GLU A 30 -9.689 -4.445 -6.054 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.008 -3.227 -5.886 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.469 -1.782 -7.727 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.784 -3.414 -8.284 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.860 -2.841 -8.876 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.236 -2.398 -7.223 1.00 0.00 H new ATOM 79 N LEU A 31 -7.891 -1.353 -4.545 1.00 0.00 N ATOM 80 CA LEU A 31 -8.387 -0.364 -3.596 1.00 0.00 C ATOM 81 C LEU A 31 -8.198 1.050 -4.136 1.00 0.00 C ATOM 82 O LEU A 31 -7.072 1.528 -4.272 1.00 0.00 O ATOM 83 CB LEU A 31 -7.671 -0.514 -2.253 1.00 0.00 C ATOM 84 CG LEU A 31 -7.899 -1.854 -1.548 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.640 -2.707 -1.596 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.342 -1.633 -0.110 1.00 0.00 C ATOM 0 H LEU A 31 -6.876 -1.370 -4.643 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.454 -0.536 -3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.601 -0.381 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.998 0.288 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.692 -2.386 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.823 -3.655 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.369 -2.897 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.825 -2.181 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.499 -2.597 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.572 -1.078 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.273 -1.066 -0.099 1.00 0.00 H new ATOM 98 N ILE A 32 -9.306 1.713 -4.445 1.00 0.00 N ATOM 99 CA ILE A 32 -9.258 3.071 -4.972 1.00 0.00 C ATOM 100 C ILE A 32 -8.913 4.074 -3.877 1.00 0.00 C ATOM 101 O ILE A 32 -9.794 4.576 -3.179 1.00 0.00 O ATOM 102 CB ILE A 32 -10.599 3.473 -5.615 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.757 3.180 -4.659 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.792 2.740 -6.935 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.772 4.299 -4.580 1.00 0.00 C ATOM 0 H ILE A 32 -10.247 1.333 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.479 3.086 -5.734 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.584 4.544 -5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.259 2.267 -4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.357 2.992 -3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.744 3.033 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.980 2.996 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.791 1.665 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.564 4.023 -3.884 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.284 5.209 -4.232 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.200 4.472 -5.567 1.00 0.00 H new ATOM 117 N LEU A 33 -7.623 4.365 -3.733 1.00 0.00 N ATOM 118 CA LEU A 33 -7.163 5.311 -2.724 1.00 0.00 C ATOM 119 C LEU A 33 -7.388 6.747 -3.189 1.00 0.00 C ATOM 120 O LEU A 33 -7.654 6.993 -4.365 1.00 0.00 O ATOM 121 CB LEU A 33 -5.679 5.084 -2.422 1.00 0.00 C ATOM 122 CG LEU A 33 -5.393 4.219 -1.193 1.00 0.00 C ATOM 123 CD1 LEU A 33 -6.125 2.890 -1.291 1.00 0.00 C ATOM 124 CD2 LEU A 33 -3.897 3.996 -1.037 1.00 0.00 C ATOM 0 H LEU A 33 -6.880 3.959 -4.302 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.739 5.147 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.214 4.619 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.199 6.053 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.757 4.744 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.909 2.289 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.198 3.070 -1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.794 2.357 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.711 3.379 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.510 3.492 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.396 4.957 -0.918 1.00 0.00 H new ATOM 136 N VAL A 34 -7.280 7.691 -2.259 1.00 0.00 N ATOM 137 CA VAL A 34 -7.473 9.100 -2.576 1.00 0.00 C ATOM 138 C VAL A 34 -6.726 9.980 -1.590 1.00 0.00 C ATOM 139 O VAL A 34 -6.954 9.916 -0.380 1.00 0.00 O ATOM 140 CB VAL A 34 -8.963 9.481 -2.580 1.00 0.00 C ATOM 141 CG1 VAL A 34 -9.149 10.913 -3.067 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.770 8.517 -3.433 1.00 0.00 C ATOM 0 H VAL A 34 -7.060 7.505 -1.281 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.074 9.262 -3.577 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.331 9.414 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.210 11.164 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.612 11.594 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.758 11.006 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.820 8.810 -3.418 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.401 8.542 -4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.669 7.507 -3.035 1.00 0.00 H new ATOM 152 N LEU A 35 -5.839 10.809 -2.118 1.00 0.00 N ATOM 153 CA LEU A 35 -5.046 11.715 -1.300 1.00 0.00 C ATOM 154 C LEU A 35 -5.287 13.164 -1.704 1.00 0.00 C ATOM 155 O LEU A 35 -6.239 13.467 -2.422 1.00 0.00 O ATOM 156 CB LEU A 35 -3.567 11.367 -1.449 1.00 0.00 C ATOM 157 CG LEU A 35 -2.765 11.364 -0.146 1.00 0.00 C ATOM 158 CD1 LEU A 35 -3.089 10.127 0.681 1.00 0.00 C ATOM 159 CD2 LEU A 35 -1.274 11.436 -0.439 1.00 0.00 C ATOM 0 H LEU A 35 -5.649 10.873 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.345 11.601 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.486 10.382 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.110 12.079 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.046 12.244 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.509 10.144 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.152 10.118 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.839 9.232 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.718 11.433 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.979 10.575 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.055 12.352 -0.988 1.00 0.00 H new ATOM 171 N LYS A 36 -4.420 14.060 -1.238 1.00 0.00 N ATOM 172 CA LYS A 36 -4.541 15.478 -1.552 1.00 0.00 C ATOM 173 C LYS A 36 -3.333 15.961 -2.352 1.00 0.00 C ATOM 174 O LYS A 36 -2.284 15.327 -2.355 1.00 0.00 O ATOM 175 CB LYS A 36 -4.685 16.299 -0.265 1.00 0.00 C ATOM 176 CG LYS A 36 -6.101 16.797 -0.016 1.00 0.00 C ATOM 177 CD LYS A 36 -6.494 16.645 1.442 1.00 0.00 C ATOM 178 CE LYS A 36 -7.749 17.443 1.761 1.00 0.00 C ATOM 179 NZ LYS A 36 -7.497 18.910 1.738 1.00 0.00 N ATOM 0 H LYS A 36 -3.626 13.827 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.435 15.617 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.369 15.690 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.011 17.154 -0.312 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.176 17.845 -0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.799 16.241 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.663 15.592 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.675 16.980 2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.528 17.197 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.122 17.154 2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.261 19.401 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.588 19.113 2.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.465 19.241 0.753 1.00 0.00 H new ATOM 193 N GLY A 37 -3.498 17.098 -3.024 1.00 0.00 N ATOM 194 CA GLY A 37 -2.416 17.644 -3.816 1.00 0.00 C ATOM 195 C GLY A 37 -1.723 18.804 -3.129 1.00 0.00 C ATOM 196 O GLY A 37 -1.262 19.737 -3.784 1.00 0.00 O ATOM 0 H GLY A 37 -4.358 17.646 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.688 16.859 -4.021 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.806 17.976 -4.778 1.00 0.00 H new ATOM 200 N GLU A 38 -1.648 18.749 -1.806 1.00 0.00 N ATOM 201 CA GLU A 38 -1.007 19.810 -1.031 1.00 0.00 C ATOM 202 C GLU A 38 0.400 19.394 -0.617 1.00 0.00 C ATOM 203 O GLU A 38 0.893 19.789 0.440 1.00 0.00 O ATOM 204 CB GLU A 38 -1.836 20.139 0.213 1.00 0.00 C ATOM 205 CG GLU A 38 -3.180 20.763 -0.103 1.00 0.00 C ATOM 206 CD GLU A 38 -3.376 22.100 0.592 1.00 0.00 C ATOM 207 OE1 GLU A 38 -3.091 22.185 1.805 1.00 0.00 O ATOM 208 OE2 GLU A 38 -3.817 23.056 -0.073 1.00 0.00 O ATOM 0 H GLU A 38 -2.022 17.983 -1.245 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.942 20.698 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.994 19.225 0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.269 20.820 0.848 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.269 20.900 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.974 20.080 0.198 1.00 0.00 H new ATOM 215 N LEU A 39 1.047 18.596 -1.460 1.00 0.00 N ATOM 216 CA LEU A 39 2.406 18.128 -1.190 1.00 0.00 C ATOM 217 C LEU A 39 3.331 18.420 -2.373 1.00 0.00 C ATOM 218 O LEU A 39 2.907 18.382 -3.526 1.00 0.00 O ATOM 219 CB LEU A 39 2.403 16.631 -0.890 1.00 0.00 C ATOM 220 CG LEU A 39 1.337 16.177 0.109 1.00 0.00 C ATOM 221 CD1 LEU A 39 0.972 14.718 -0.138 1.00 0.00 C ATOM 222 CD2 LEU A 39 1.827 16.366 1.537 1.00 0.00 C ATOM 0 H LEU A 39 0.653 18.258 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 39 2.780 18.666 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.259 16.088 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.384 16.350 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 39 0.447 16.790 -0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.213 14.407 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.583 14.607 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.859 14.096 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.055 16.038 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.731 15.777 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.047 17.420 1.710 1.00 0.00 H new ATOM 283 N SER A 43 5.772 11.630 -1.489 1.00 0.00 N ATOM 284 CA SER A 43 4.377 11.331 -1.199 1.00 0.00 C ATOM 285 C SER A 43 4.265 10.199 -0.183 1.00 0.00 C ATOM 286 O SER A 43 4.752 9.093 -0.413 1.00 0.00 O ATOM 287 CB SER A 43 3.637 10.955 -2.485 1.00 0.00 C ATOM 288 OG SER A 43 2.904 12.053 -2.991 1.00 0.00 O ATOM 0 HA SER A 43 3.919 12.224 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.353 10.616 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.962 10.122 -2.289 1.00 0.00 H new ATOM 0 HG SER A 43 2.442 11.787 -3.813 1.00 0.00 H new ATOM 294 N LYS A 44 3.621 10.486 0.944 1.00 0.00 N ATOM 295 CA LYS A 44 3.443 9.494 1.999 1.00 0.00 C ATOM 296 C LYS A 44 2.510 8.371 1.548 1.00 0.00 C ATOM 297 O LYS A 44 2.517 7.281 2.120 1.00 0.00 O ATOM 298 CB LYS A 44 2.890 10.157 3.262 1.00 0.00 C ATOM 299 CG LYS A 44 3.609 9.738 4.534 1.00 0.00 C ATOM 300 CD LYS A 44 4.358 10.901 5.165 1.00 0.00 C ATOM 301 CE LYS A 44 5.834 10.875 4.805 1.00 0.00 C ATOM 302 NZ LYS A 44 6.678 11.404 5.901 1.00 0.00 N ATOM 0 H LYS A 44 3.213 11.398 1.150 1.00 0.00 H new ATOM 0 HA LYS A 44 4.418 9.060 2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.960 11.239 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.832 9.914 3.356 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.886 9.341 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.309 8.934 4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.918 11.841 4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.246 10.862 6.249 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.134 9.852 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.998 11.465 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.678 11.370 5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.409 12.388 6.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.541 10.826 6.755 1.00 0.00 H new ATOM 316 N ASN A 45 1.708 8.643 0.521 1.00 0.00 N ATOM 317 CA ASN A 45 0.770 7.655 -0.002 1.00 0.00 C ATOM 318 C ASN A 45 1.484 6.353 -0.361 1.00 0.00 C ATOM 319 O ASN A 45 1.165 5.291 0.174 1.00 0.00 O ATOM 320 CB ASN A 45 0.050 8.210 -1.232 1.00 0.00 C ATOM 321 CG ASN A 45 -1.380 7.719 -1.337 1.00 0.00 C ATOM 322 OD1 ASN A 45 -2.319 8.513 -1.399 1.00 0.00 O ATOM 323 ND2 ASN A 45 -1.554 6.402 -1.357 1.00 0.00 N ATOM 0 H ASN A 45 1.690 9.540 0.035 1.00 0.00 H new ATOM 0 HA ASN A 45 0.038 7.440 0.777 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.055 9.299 -1.191 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.597 7.922 -2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.494 6.013 -1.426 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.747 5.780 -1.303 1.00 0.00 H new ATOM 330 N MET A 46 2.449 6.443 -1.270 1.00 0.00 N ATOM 331 CA MET A 46 3.206 5.271 -1.699 1.00 0.00 C ATOM 332 C MET A 46 3.872 4.590 -0.507 1.00 0.00 C ATOM 333 O MET A 46 3.908 3.361 -0.421 1.00 0.00 O ATOM 334 CB MET A 46 4.262 5.666 -2.734 1.00 0.00 C ATOM 335 CG MET A 46 5.212 6.750 -2.251 1.00 0.00 C ATOM 336 SD MET A 46 6.595 7.010 -3.380 1.00 0.00 S ATOM 337 CE MET A 46 7.225 8.572 -2.782 1.00 0.00 C ATOM 0 H MET A 46 2.726 7.314 -1.724 1.00 0.00 H new ATOM 0 HA MET A 46 2.510 4.567 -2.156 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.840 4.783 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.761 6.010 -3.639 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.663 7.684 -2.133 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.596 6.480 -1.267 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.086 8.870 -3.380 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.448 9.332 -2.861 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.526 8.468 -1.740 1.00 0.00 H new ATOM 347 N LYS A 47 4.396 5.395 0.410 1.00 0.00 N ATOM 348 CA LYS A 47 5.058 4.871 1.599 1.00 0.00 C ATOM 349 C LYS A 47 4.059 4.164 2.511 1.00 0.00 C ATOM 350 O LYS A 47 4.426 3.279 3.282 1.00 0.00 O ATOM 351 CB LYS A 47 5.751 6.001 2.363 1.00 0.00 C ATOM 352 CG LYS A 47 6.771 5.512 3.378 1.00 0.00 C ATOM 353 CD LYS A 47 6.998 6.536 4.479 1.00 0.00 C ATOM 354 CE LYS A 47 7.559 5.888 5.734 1.00 0.00 C ATOM 355 NZ LYS A 47 7.520 6.811 6.895 1.00 0.00 N ATOM 0 H LYS A 47 4.375 6.413 0.353 1.00 0.00 H new ATOM 0 HA LYS A 47 5.806 4.147 1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.247 6.660 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.997 6.597 2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.429 4.575 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.715 5.302 2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.686 7.305 4.126 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.057 7.034 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.988 4.989 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.587 5.575 5.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.911 6.333 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.086 7.658 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.536 7.090 7.084 1.00 0.00 H new ATOM 369 N ASN A 48 2.793 4.562 2.417 1.00 0.00 N ATOM 370 CA ASN A 48 1.743 3.968 3.234 1.00 0.00 C ATOM 371 C ASN A 48 1.418 2.553 2.764 1.00 0.00 C ATOM 372 O ASN A 48 1.155 1.665 3.576 1.00 0.00 O ATOM 373 CB ASN A 48 0.481 4.835 3.192 1.00 0.00 C ATOM 374 CG ASN A 48 0.377 5.759 4.390 1.00 0.00 C ATOM 375 OD1 ASN A 48 0.168 6.963 4.241 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.522 5.199 5.584 1.00 0.00 N ATOM 0 H ASN A 48 2.471 5.293 1.783 1.00 0.00 H new ATOM 0 HA ASN A 48 2.105 3.915 4.261 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.481 5.428 2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.398 4.192 3.155 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.461 5.771 6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.694 4.196 5.660 1.00 0.00 H new ATOM 383 N VAL A 49 1.439 2.347 1.451 1.00 0.00 N ATOM 384 CA VAL A 49 1.146 1.035 0.883 1.00 0.00 C ATOM 385 C VAL A 49 2.274 0.048 1.162 1.00 0.00 C ATOM 386 O VAL A 49 2.029 -1.100 1.528 1.00 0.00 O ATOM 387 CB VAL A 49 0.913 1.111 -0.638 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.454 -0.239 -1.176 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.096 2.200 -0.971 1.00 0.00 C ATOM 0 H VAL A 49 1.655 3.068 0.763 1.00 0.00 H new ATOM 0 HA VAL A 49 0.232 0.686 1.364 1.00 0.00 H new ATOM 0 HB VAL A 49 1.857 1.366 -1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.294 -0.167 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.217 -0.990 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.478 -0.527 -0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.247 2.238 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.044 1.981 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.279 3.162 -0.623 1.00 0.00 H new ATOM 399 N ILE A 50 3.511 0.502 0.985 1.00 0.00 N ATOM 400 CA ILE A 50 4.672 -0.348 1.219 1.00 0.00 C ATOM 401 C ILE A 50 4.759 -0.761 2.685 1.00 0.00 C ATOM 402 O ILE A 50 5.135 -1.890 3.001 1.00 0.00 O ATOM 403 CB ILE A 50 5.979 0.361 0.814 1.00 0.00 C ATOM 404 CG1 ILE A 50 5.898 0.836 -0.638 1.00 0.00 C ATOM 405 CG2 ILE A 50 7.172 -0.565 1.009 1.00 0.00 C ATOM 406 CD1 ILE A 50 5.814 -0.296 -1.639 1.00 0.00 C ATOM 0 H ILE A 50 3.734 1.450 0.682 1.00 0.00 H new ATOM 0 HA ILE A 50 4.547 -1.237 0.600 1.00 0.00 H new ATOM 0 HB ILE A 50 6.114 1.232 1.456 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.025 1.478 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.774 1.445 -0.862 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.086 -0.047 0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.238 -0.857 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.047 -1.455 0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.759 0.114 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.699 -0.926 -1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.923 -0.892 -1.441 1.00 0.00 H new ATOM 418 N ASN A 51 4.408 0.161 3.575 1.00 0.00 N ATOM 419 CA ASN A 51 4.447 -0.106 5.007 1.00 0.00 C ATOM 420 C ASN A 51 3.337 -1.069 5.415 1.00 0.00 C ATOM 421 O ASN A 51 3.505 -1.872 6.333 1.00 0.00 O ATOM 422 CB ASN A 51 4.319 1.199 5.794 1.00 0.00 C ATOM 423 CG ASN A 51 4.613 1.015 7.270 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.702 1.337 7.742 1.00 0.00 O ATOM 425 ND2 ASN A 51 3.640 0.492 8.006 1.00 0.00 N ATOM 0 H ASN A 51 4.093 1.100 3.329 1.00 0.00 H new ATOM 0 HA ASN A 51 5.406 -0.570 5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.004 1.939 5.379 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.311 1.595 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.780 0.343 9.005 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.752 0.239 7.572 1.00 0.00 H new ATOM 432 N ASN A 52 2.201 -0.986 4.728 1.00 0.00 N ATOM 433 CA ASN A 52 1.066 -1.851 5.025 1.00 0.00 C ATOM 434 C ASN A 52 1.147 -3.151 4.234 1.00 0.00 C ATOM 435 O ASN A 52 1.222 -4.235 4.811 1.00 0.00 O ATOM 436 CB ASN A 52 -0.252 -1.131 4.723 1.00 0.00 C ATOM 437 CG ASN A 52 -1.028 -0.797 5.982 1.00 0.00 C ATOM 438 OD1 ASN A 52 -2.236 -1.015 6.057 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.333 -0.265 6.982 1.00 0.00 N ATOM 0 H ASN A 52 2.043 -0.329 3.963 1.00 0.00 H new ATOM 0 HA ASN A 52 1.099 -2.094 6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.044 -0.213 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.866 -1.758 4.076 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.801 -0.021 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.668 -0.101 6.877 1.00 0.00 H new ATOM 446 N ALA A 53 1.134 -3.039 2.910 1.00 0.00 N ATOM 447 CA ALA A 53 1.206 -4.209 2.042 1.00 0.00 C ATOM 448 C ALA A 53 2.316 -5.158 2.485 1.00 0.00 C ATOM 449 O ALA A 53 2.198 -6.377 2.347 1.00 0.00 O ATOM 450 CB ALA A 53 1.425 -3.778 0.598 1.00 0.00 C ATOM 0 H ALA A 53 1.074 -2.150 2.414 1.00 0.00 H new ATOM 0 HA ALA A 53 0.259 -4.743 2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.477 -4.660 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.597 -3.146 0.277 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.358 -3.220 0.523 1.00 0.00 H new ATOM 456 N LYS A 54 3.391 -4.593 3.027 1.00 0.00 N ATOM 457 CA LYS A 54 4.519 -5.393 3.493 1.00 0.00 C ATOM 458 C LYS A 54 4.267 -5.913 4.903 1.00 0.00 C ATOM 459 O LYS A 54 4.388 -7.110 5.163 1.00 0.00 O ATOM 460 CB LYS A 54 5.809 -4.572 3.460 1.00 0.00 C ATOM 461 CG LYS A 54 7.069 -5.423 3.475 1.00 0.00 C ATOM 462 CD LYS A 54 8.311 -4.578 3.708 1.00 0.00 C ATOM 463 CE LYS A 54 9.571 -5.428 3.699 1.00 0.00 C ATOM 464 NZ LYS A 54 9.646 -6.323 4.886 1.00 0.00 N ATOM 0 H LYS A 54 3.505 -3.587 3.154 1.00 0.00 H new ATOM 0 HA LYS A 54 4.628 -6.246 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.811 -3.949 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.824 -3.899 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.990 -6.178 4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.162 -5.954 2.528 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.382 -3.812 2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.227 -4.060 4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.597 -6.028 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.446 -4.779 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.571 -6.798 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.527 -5.761 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.892 -7.037 4.831 1.00 0.00 H new ATOM 478 N LYS A 55 3.913 -5.009 5.811 1.00 0.00 N ATOM 479 CA LYS A 55 3.640 -5.384 7.192 1.00 0.00 C ATOM 480 C LYS A 55 2.518 -6.415 7.255 1.00 0.00 C ATOM 481 O LYS A 55 2.567 -7.354 8.048 1.00 0.00 O ATOM 482 CB LYS A 55 3.266 -4.152 8.016 1.00 0.00 C ATOM 483 CG LYS A 55 3.071 -4.445 9.494 1.00 0.00 C ATOM 484 CD LYS A 55 2.355 -3.304 10.197 1.00 0.00 C ATOM 485 CE LYS A 55 0.847 -3.490 10.164 1.00 0.00 C ATOM 486 NZ LYS A 55 0.425 -4.724 10.882 1.00 0.00 N ATOM 0 H LYS A 55 3.809 -4.013 5.615 1.00 0.00 H new ATOM 0 HA LYS A 55 4.544 -5.826 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.046 -3.399 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.348 -3.722 7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.497 -5.364 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.040 -4.613 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.693 -3.243 11.232 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.617 -2.360 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.364 -2.624 10.616 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.510 -3.539 9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.532 -4.592 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.424 -5.527 10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.088 -4.917 11.660 1.00 0.00 H new ATOM 500 N ASN A 56 1.513 -6.235 6.404 1.00 0.00 N ATOM 501 CA ASN A 56 0.382 -7.151 6.350 1.00 0.00 C ATOM 502 C ASN A 56 0.826 -8.514 5.835 1.00 0.00 C ATOM 503 O ASN A 56 0.505 -9.547 6.424 1.00 0.00 O ATOM 504 CB ASN A 56 -0.718 -6.585 5.453 1.00 0.00 C ATOM 505 CG ASN A 56 -1.118 -5.177 5.849 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.203 -4.855 7.034 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.368 -4.331 4.857 1.00 0.00 N ATOM 0 H ASN A 56 1.460 -5.461 5.742 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.014 -7.270 7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.376 -6.585 4.418 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.592 -7.235 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.643 -3.371 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.285 -4.641 3.889 1.00 0.00 H new ATOM 514 N LEU A 57 1.580 -8.510 4.738 1.00 0.00 N ATOM 515 CA LEU A 57 2.083 -9.743 4.149 1.00 0.00 C ATOM 516 C LEU A 57 2.753 -10.610 5.210 1.00 0.00 C ATOM 517 O LEU A 57 2.295 -11.713 5.517 1.00 0.00 O ATOM 518 CB LEU A 57 3.084 -9.415 3.041 1.00 0.00 C ATOM 519 CG LEU A 57 2.784 -10.041 1.683 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.867 -9.663 0.687 1.00 0.00 C ATOM 521 CD2 LEU A 57 2.669 -11.554 1.804 1.00 0.00 C ATOM 0 H LEU A 57 1.855 -7.663 4.240 1.00 0.00 H new ATOM 0 HA LEU A 57 1.243 -10.296 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.127 -8.332 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.074 -9.740 3.361 1.00 0.00 H new ATOM 0 HG LEU A 57 1.829 -9.658 1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.645 -10.114 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.902 -8.579 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.831 -10.025 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.455 -11.982 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.607 -11.961 2.181 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.862 -11.804 2.493 1.00 0.00 H new ATOM 533 N GLU A 58 3.841 -10.093 5.766 1.00 0.00 N ATOM 534 CA GLU A 58 4.585 -10.803 6.798 1.00 0.00 C ATOM 535 C GLU A 58 3.678 -11.168 7.970 1.00 0.00 C ATOM 536 O GLU A 58 3.904 -12.169 8.649 1.00 0.00 O ATOM 537 CB GLU A 58 5.758 -9.953 7.290 1.00 0.00 C ATOM 538 CG GLU A 58 5.334 -8.627 7.899 1.00 0.00 C ATOM 539 CD GLU A 58 6.256 -8.178 9.016 1.00 0.00 C ATOM 540 OE1 GLU A 58 6.367 -8.909 10.019 1.00 0.00 O ATOM 541 OE2 GLU A 58 6.860 -7.096 8.881 1.00 0.00 O ATOM 0 H GLU A 58 4.229 -9.182 5.519 1.00 0.00 H new ATOM 0 HA GLU A 58 4.972 -11.724 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.321 -10.520 8.031 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.432 -9.761 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.313 -7.864 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.318 -8.717 8.285 1.00 0.00 H new ATOM 548 N LYS A 59 2.649 -10.356 8.200 1.00 0.00 N ATOM 549 CA LYS A 59 1.710 -10.608 9.288 1.00 0.00 C ATOM 550 C LYS A 59 1.081 -11.989 9.142 1.00 0.00 C ATOM 551 O LYS A 59 0.844 -12.684 10.130 1.00 0.00 O ATOM 552 CB LYS A 59 0.615 -9.539 9.313 1.00 0.00 C ATOM 553 CG LYS A 59 -0.121 -9.454 10.640 1.00 0.00 C ATOM 554 CD LYS A 59 -1.618 -9.280 10.438 1.00 0.00 C ATOM 555 CE LYS A 59 -2.352 -10.609 10.514 1.00 0.00 C ATOM 556 NZ LYS A 59 -3.344 -10.760 9.413 1.00 0.00 N ATOM 0 H LYS A 59 2.445 -9.522 7.650 1.00 0.00 H new ATOM 0 HA LYS A 59 2.262 -10.569 10.227 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.060 -8.569 9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.104 -9.748 8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.066 -10.358 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.268 -8.617 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.012 -8.603 11.196 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.803 -8.816 9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.631 -11.425 10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.861 -10.688 11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.013 -11.520 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.863 -9.868 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.849 -10.998 8.530 1.00 0.00 H new ATOM 570 N TYR A 60 0.822 -12.381 7.899 1.00 0.00 N ATOM 571 CA TYR A 60 0.228 -13.684 7.618 1.00 0.00 C ATOM 572 C TYR A 60 1.285 -14.778 7.692 1.00 0.00 C ATOM 573 O TYR A 60 0.996 -15.911 8.080 1.00 0.00 O ATOM 574 CB TYR A 60 -0.421 -13.692 6.233 1.00 0.00 C ATOM 575 CG TYR A 60 -1.109 -12.396 5.866 1.00 0.00 C ATOM 576 CD1 TYR A 60 -2.264 -11.988 6.521 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.602 -11.582 4.861 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.895 -10.805 6.183 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.226 -10.399 4.518 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.372 -10.015 5.183 1.00 0.00 C ATOM 581 OH TYR A 60 -2.998 -8.837 4.844 1.00 0.00 O ATOM 0 H TYR A 60 1.013 -11.817 7.071 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.538 -13.876 8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.343 -13.909 5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.149 -14.502 6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.676 -12.604 7.307 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.295 -11.880 4.339 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.793 -10.502 6.700 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.819 -9.778 3.734 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.501 -8.399 4.122 1.00 0.00 H new ATOM 591 N PHE A 61 2.508 -14.430 7.312 1.00 0.00 N ATOM 592 CA PHE A 61 3.615 -15.380 7.328 1.00 0.00 C ATOM 593 C PHE A 61 4.149 -15.584 8.743 1.00 0.00 C ATOM 594 O PHE A 61 4.659 -16.653 9.073 1.00 0.00 O ATOM 595 CB PHE A 61 4.742 -14.899 6.411 1.00 0.00 C ATOM 596 CG PHE A 61 5.480 -16.018 5.732 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.533 -16.657 6.367 1.00 0.00 C ATOM 598 CD2 PHE A 61 5.120 -16.431 4.459 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.213 -17.686 5.745 1.00 0.00 C ATOM 600 CE2 PHE A 61 5.797 -17.460 3.832 1.00 0.00 C ATOM 601 CZ PHE A 61 6.845 -18.088 4.475 1.00 0.00 C ATOM 0 H PHE A 61 2.759 -13.496 6.988 1.00 0.00 H new ATOM 0 HA PHE A 61 3.239 -16.336 6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.325 -14.236 5.653 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.449 -14.310 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.825 -16.347 7.359 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.301 -15.943 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.032 -18.176 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.506 -17.773 2.840 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.376 -18.892 3.987 1.00 0.00 H new ATOM 611 N LYS A 62 4.034 -14.555 9.573 1.00 0.00 N ATOM 612 CA LYS A 62 4.510 -14.631 10.949 1.00 0.00 C ATOM 613 C LYS A 62 3.433 -15.192 11.874 1.00 0.00 C ATOM 614 O LYS A 62 3.720 -15.993 12.763 1.00 0.00 O ATOM 615 CB LYS A 62 4.950 -13.249 11.433 1.00 0.00 C ATOM 616 CG LYS A 62 6.388 -13.210 11.926 1.00 0.00 C ATOM 617 CD LYS A 62 6.486 -13.595 13.396 1.00 0.00 C ATOM 618 CE LYS A 62 7.716 -12.991 14.050 1.00 0.00 C ATOM 619 NZ LYS A 62 8.931 -13.150 13.203 1.00 0.00 N ATOM 0 H LYS A 62 3.616 -13.660 9.319 1.00 0.00 H new ATOM 0 HA LYS A 62 5.365 -15.307 10.973 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.833 -12.533 10.619 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.289 -12.927 12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.996 -13.890 11.330 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.795 -12.209 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.592 -13.259 13.921 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.521 -14.681 13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.543 -11.932 14.241 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.883 -13.466 15.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.779 -12.946 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.980 -14.126 12.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.884 -12.490 12.401 1.00 0.00 H new ATOM 633 N GLU A 63 2.194 -14.761 11.661 1.00 0.00 N ATOM 634 CA GLU A 63 1.077 -15.217 12.481 1.00 0.00 C ATOM 635 C GLU A 63 0.577 -16.581 12.018 1.00 0.00 C ATOM 636 O GLU A 63 0.460 -17.513 12.813 1.00 0.00 O ATOM 637 CB GLU A 63 -0.067 -14.201 12.432 1.00 0.00 C ATOM 638 CG GLU A 63 -0.861 -14.118 13.724 1.00 0.00 C ATOM 639 CD GLU A 63 -1.387 -12.723 13.996 1.00 0.00 C ATOM 640 OE1 GLU A 63 -0.643 -11.749 13.753 1.00 0.00 O ATOM 641 OE2 GLU A 63 -2.545 -12.602 14.451 1.00 0.00 O ATOM 0 H GLU A 63 1.938 -14.098 10.929 1.00 0.00 H new ATOM 0 HA GLU A 63 1.431 -15.310 13.508 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.342 -13.217 12.202 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.741 -14.464 11.617 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.698 -14.815 13.677 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.230 -14.433 14.555 1.00 0.00 H new ATOM 648 N HIS A 64 0.279 -16.690 10.728 1.00 0.00 N ATOM 649 CA HIS A 64 -0.214 -17.940 10.161 1.00 0.00 C ATOM 650 C HIS A 64 0.921 -18.771 9.568 1.00 0.00 C ATOM 651 O HIS A 64 0.681 -19.768 8.888 1.00 0.00 O ATOM 652 CB HIS A 64 -1.278 -17.662 9.097 1.00 0.00 C ATOM 653 CG HIS A 64 -2.519 -18.480 9.267 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.534 -19.855 9.174 1.00 0.00 N ATOM 655 CD2 HIS A 64 -3.796 -18.109 9.528 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.765 -20.296 9.368 1.00 0.00 C ATOM 657 NE2 HIS A 64 -4.549 -19.256 9.586 1.00 0.00 N ATOM 0 H HIS A 64 0.370 -15.929 10.056 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.664 -18.516 10.970 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.542 -16.605 9.126 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.855 -17.858 8.112 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.155 -17.100 9.665 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.076 -21.330 9.351 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.552 -19.298 9.768 1.00 0.00 H new ATOM 666 N PHE A 65 2.155 -18.356 9.831 1.00 0.00 N ATOM 667 CA PHE A 65 3.330 -19.059 9.328 1.00 0.00 C ATOM 668 C PHE A 65 3.441 -18.933 7.810 1.00 0.00 C ATOM 669 O PHE A 65 4.383 -18.333 7.295 1.00 0.00 O ATOM 670 CB PHE A 65 3.276 -20.529 9.734 1.00 0.00 C ATOM 671 CG PHE A 65 4.630 -21.141 9.953 1.00 0.00 C ATOM 672 CD1 PHE A 65 5.341 -21.679 8.892 1.00 0.00 C ATOM 673 CD2 PHE A 65 5.191 -21.180 11.218 1.00 0.00 C ATOM 674 CE1 PHE A 65 6.586 -22.243 9.090 1.00 0.00 C ATOM 675 CE2 PHE A 65 6.436 -21.743 11.424 1.00 0.00 C ATOM 676 CZ PHE A 65 7.135 -22.275 10.358 1.00 0.00 C ATOM 0 H PHE A 65 2.368 -17.532 10.393 1.00 0.00 H new ATOM 0 HA PHE A 65 4.215 -18.600 9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.691 -20.624 10.649 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.752 -21.092 8.961 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.917 -21.657 7.899 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.649 -20.765 12.055 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.130 -22.659 8.255 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.862 -21.767 12.416 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.109 -22.715 10.515 1.00 0.00 H new ATOM 686 N LYS A 66 2.472 -19.501 7.099 1.00 0.00 N ATOM 687 CA LYS A 66 2.465 -19.447 5.642 1.00 0.00 C ATOM 688 C LYS A 66 1.041 -19.323 5.109 1.00 0.00 C ATOM 689 O LYS A 66 0.201 -20.190 5.347 1.00 0.00 O ATOM 690 CB LYS A 66 3.132 -20.693 5.059 1.00 0.00 C ATOM 691 CG LYS A 66 3.363 -20.612 3.559 1.00 0.00 C ATOM 692 CD LYS A 66 4.323 -21.690 3.084 1.00 0.00 C ATOM 693 CE LYS A 66 5.685 -21.555 3.746 1.00 0.00 C ATOM 694 NZ LYS A 66 5.855 -22.516 4.870 1.00 0.00 N ATOM 0 H LYS A 66 1.683 -20.003 7.507 1.00 0.00 H new ATOM 0 HA LYS A 66 3.028 -18.566 5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.088 -20.850 5.558 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.512 -21.563 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.412 -20.715 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.762 -19.630 3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.906 -22.673 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.436 -21.627 2.002 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.467 -21.722 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.809 -20.538 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.393 -22.063 5.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.921 -22.803 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.370 -23.355 4.535 1.00 0.00 H new ATOM 708 N GLU A 67 0.779 -18.238 4.387 1.00 0.00 N ATOM 709 CA GLU A 67 -0.542 -17.997 3.819 1.00 0.00 C ATOM 710 C GLU A 67 -0.470 -17.897 2.298 1.00 0.00 C ATOM 711 O GLU A 67 0.536 -18.261 1.689 1.00 0.00 O ATOM 712 CB GLU A 67 -1.144 -16.715 4.404 1.00 0.00 C ATOM 713 CG GLU A 67 -2.533 -16.910 4.989 1.00 0.00 C ATOM 714 CD GLU A 67 -3.304 -15.609 5.103 1.00 0.00 C ATOM 715 OE1 GLU A 67 -3.875 -15.165 4.085 1.00 0.00 O ATOM 716 OE2 GLU A 67 -3.337 -15.034 6.211 1.00 0.00 O ATOM 0 H GLU A 67 1.465 -17.511 4.182 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.183 -18.840 4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.481 -16.333 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.190 -15.956 3.623 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.092 -17.606 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.447 -17.365 5.976 1.00 0.00 H new ATOM 723 N PHE A 68 -1.544 -17.404 1.689 1.00 0.00 N ATOM 724 CA PHE A 68 -1.602 -17.259 0.238 1.00 0.00 C ATOM 725 C PHE A 68 -2.282 -15.950 -0.153 1.00 0.00 C ATOM 726 O PHE A 68 -3.506 -15.884 -0.258 1.00 0.00 O ATOM 727 CB PHE A 68 -2.358 -18.437 -0.382 1.00 0.00 C ATOM 728 CG PHE A 68 -1.533 -19.687 -0.501 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.292 -19.659 -1.117 1.00 0.00 C ATOM 730 CD2 PHE A 68 -1.999 -20.891 0.001 1.00 0.00 C ATOM 731 CE1 PHE A 68 0.468 -20.808 -1.230 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.244 -22.042 -0.108 1.00 0.00 C ATOM 733 CZ PHE A 68 -0.009 -22.002 -0.725 1.00 0.00 C ATOM 0 H PHE A 68 -2.386 -17.098 2.177 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.580 -17.246 -0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.240 -18.650 0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.712 -18.150 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.086 -18.728 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.964 -20.930 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.434 -20.772 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.619 -22.974 0.289 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.582 -22.902 -0.812 1.00 0.00 H new ATOM 743 N ASP A 69 -1.482 -14.909 -0.369 1.00 0.00 N ATOM 744 CA ASP A 69 -2.017 -13.605 -0.749 1.00 0.00 C ATOM 745 C ASP A 69 -0.896 -12.597 -0.990 1.00 0.00 C ATOM 746 O ASP A 69 -0.051 -12.372 -0.123 1.00 0.00 O ATOM 747 CB ASP A 69 -2.961 -13.082 0.336 1.00 0.00 C ATOM 748 CG ASP A 69 -3.595 -11.757 -0.036 1.00 0.00 C ATOM 749 OD1 ASP A 69 -2.847 -10.779 -0.246 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.840 -11.697 -0.119 1.00 0.00 O ATOM 0 H ASP A 69 -0.466 -14.943 -0.288 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.572 -13.730 -1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.744 -13.818 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.409 -12.968 1.269 1.00 0.00 H new ATOM 755 N LYS A 70 -0.903 -11.984 -2.170 1.00 0.00 N ATOM 756 CA LYS A 70 0.103 -10.989 -2.527 1.00 0.00 C ATOM 757 C LYS A 70 -0.539 -9.612 -2.661 1.00 0.00 C ATOM 758 O LYS A 70 -1.732 -9.502 -2.940 1.00 0.00 O ATOM 759 CB LYS A 70 0.795 -11.375 -3.836 1.00 0.00 C ATOM 760 CG LYS A 70 1.181 -12.843 -3.909 1.00 0.00 C ATOM 761 CD LYS A 70 1.805 -13.188 -5.252 1.00 0.00 C ATOM 762 CE LYS A 70 3.323 -13.199 -5.174 1.00 0.00 C ATOM 763 NZ LYS A 70 3.934 -13.881 -6.349 1.00 0.00 N ATOM 0 H LYS A 70 -1.596 -12.160 -2.897 1.00 0.00 H new ATOM 0 HA LYS A 70 0.850 -10.954 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.134 -11.140 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.691 -10.766 -3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.884 -13.076 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.298 -13.461 -3.747 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.449 -14.165 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.483 -12.464 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.691 -12.175 -5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.636 -13.702 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.970 -13.867 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.603 -14.866 -6.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.656 -13.386 -7.221 1.00 0.00 H new ATOM 777 N ILE A 71 0.250 -8.561 -2.455 1.00 0.00 N ATOM 778 CA ILE A 71 -0.271 -7.202 -2.550 1.00 0.00 C ATOM 779 C ILE A 71 0.626 -6.301 -3.384 1.00 0.00 C ATOM 780 O ILE A 71 1.853 -6.354 -3.290 1.00 0.00 O ATOM 781 CB ILE A 71 -0.464 -6.569 -1.161 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.252 -7.512 -0.259 1.00 0.00 C ATOM 783 CG2 ILE A 71 -1.184 -5.234 -1.286 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.963 -7.325 1.215 1.00 0.00 C ATOM 0 H ILE A 71 1.242 -8.623 -2.224 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.239 -7.287 -3.044 1.00 0.00 H new ATOM 0 HB ILE A 71 0.516 -6.396 -0.715 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.317 -7.362 -0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.025 -8.541 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.314 -4.797 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.594 -4.559 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.160 -5.389 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.559 -8.029 1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.095 -7.504 1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.217 -6.307 1.509 1.00 0.00 H new ATOM 796 N SER A 72 -0.010 -5.469 -4.197 1.00 0.00 N ATOM 797 CA SER A 72 0.696 -4.533 -5.061 1.00 0.00 C ATOM 798 C SER A 72 -0.010 -3.180 -5.062 1.00 0.00 C ATOM 799 O SER A 72 -1.100 -3.044 -4.505 1.00 0.00 O ATOM 800 CB SER A 72 0.773 -5.090 -6.482 1.00 0.00 C ATOM 801 OG SER A 72 1.962 -4.673 -7.131 1.00 0.00 O ATOM 0 H SER A 72 -1.026 -5.424 -4.276 1.00 0.00 H new ATOM 0 HA SER A 72 1.708 -4.397 -4.680 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.735 -6.179 -6.451 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.093 -4.757 -7.054 1.00 0.00 H new ATOM 0 HG SER A 72 1.987 -5.044 -8.038 1.00 0.00 H new ATOM 807 N TYR A 73 0.605 -2.184 -5.691 1.00 0.00 N ATOM 808 CA TYR A 73 0.009 -0.853 -5.754 1.00 0.00 C ATOM 809 C TYR A 73 0.602 -0.028 -6.893 1.00 0.00 C ATOM 810 O TYR A 73 1.642 -0.375 -7.454 1.00 0.00 O ATOM 811 CB TYR A 73 0.186 -0.122 -4.418 1.00 0.00 C ATOM 812 CG TYR A 73 1.578 0.426 -4.189 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.683 -0.416 -4.158 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.784 1.788 -4.006 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.954 0.085 -3.949 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.052 2.295 -3.796 1.00 0.00 C ATOM 817 CZ TYR A 73 4.134 1.440 -3.769 1.00 0.00 C ATOM 818 OH TYR A 73 5.398 1.942 -3.562 1.00 0.00 O ATOM 0 H TYR A 73 1.507 -2.270 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.056 -0.976 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.528 0.700 -4.369 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.060 -0.807 -3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.547 -1.478 -4.299 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.940 2.461 -4.028 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.803 -0.582 -3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.195 3.356 -3.654 1.00 0.00 H new ATOM 0 HH TYR A 73 5.450 2.853 -3.918 1.00 0.00 H new ATOM 828 N ASP A 74 -0.071 1.070 -7.223 1.00 0.00 N ATOM 829 CA ASP A 74 0.377 1.959 -8.289 1.00 0.00 C ATOM 830 C ASP A 74 -0.247 3.343 -8.128 1.00 0.00 C ATOM 831 O ASP A 74 -1.272 3.498 -7.464 1.00 0.00 O ATOM 832 CB ASP A 74 0.017 1.374 -9.657 1.00 0.00 C ATOM 833 CG ASP A 74 1.180 0.639 -10.294 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.340 1.022 -10.031 1.00 0.00 O ATOM 835 OD2 ASP A 74 0.930 -0.319 -11.056 1.00 0.00 O ATOM 0 H ASP A 74 -0.933 1.366 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 74 1.461 2.056 -8.224 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.825 0.691 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.308 2.177 -10.319 1.00 0.00 H new ATOM 840 N ILE A 75 0.376 4.346 -8.736 1.00 0.00 N ATOM 841 CA ILE A 75 -0.120 5.715 -8.653 1.00 0.00 C ATOM 842 C ILE A 75 -0.812 6.134 -9.946 1.00 0.00 C ATOM 843 O ILE A 75 -0.242 6.034 -11.026 1.00 0.00 O ATOM 844 CB ILE A 75 1.019 6.708 -8.352 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.855 6.215 -7.168 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.454 8.092 -8.069 1.00 0.00 C ATOM 847 CD1 ILE A 75 3.083 5.433 -7.580 1.00 0.00 C ATOM 0 H ILE A 75 1.225 4.237 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.841 5.737 -7.836 1.00 0.00 H new ATOM 0 HB ILE A 75 1.666 6.773 -9.227 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.164 7.072 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.232 5.588 -6.530 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.271 8.782 -7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.102 8.443 -8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.212 8.044 -7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.627 5.115 -6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.781 4.556 -8.153 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.727 6.063 -8.194 1.00 0.00 H new ATOM 859 N SER A 76 -2.050 6.605 -9.821 1.00 0.00 N ATOM 860 CA SER A 76 -2.821 7.045 -10.978 1.00 0.00 C ATOM 861 C SER A 76 -2.832 8.562 -11.066 1.00 0.00 C ATOM 862 O SER A 76 -3.754 9.225 -10.596 1.00 0.00 O ATOM 863 CB SER A 76 -4.255 6.518 -10.893 1.00 0.00 C ATOM 864 OG SER A 76 -4.690 6.016 -12.145 1.00 0.00 O ATOM 0 H SER A 76 -2.540 6.691 -8.930 1.00 0.00 H new ATOM 0 HA SER A 76 -2.349 6.645 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.312 5.730 -10.142 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.921 7.317 -10.567 1.00 0.00 H new ATOM 0 HG SER A 76 -5.608 5.684 -12.063 1.00 0.00 H new ATOM 870 N THR A 77 -1.786 9.118 -11.678 1.00 0.00 N ATOM 871 CA THR A 77 -1.665 10.563 -11.829 1.00 0.00 C ATOM 872 C THR A 77 -1.543 11.238 -10.463 1.00 0.00 C ATOM 873 O THR A 77 -2.339 10.971 -9.558 1.00 0.00 O ATOM 874 CB THR A 77 -2.870 11.126 -12.586 1.00 0.00 C ATOM 875 OG1 THR A 77 -3.539 10.101 -13.300 1.00 0.00 O ATOM 876 CG2 THR A 77 -2.499 12.214 -13.579 1.00 0.00 C ATOM 0 H THR A 77 -1.012 8.587 -12.076 1.00 0.00 H new ATOM 0 HA THR A 77 -0.762 10.771 -12.403 1.00 0.00 H new ATOM 0 HB THR A 77 -3.515 11.558 -11.821 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.307 10.481 -13.776 1.00 0.00 H new ATOM 0 HG21 THR A 77 -3.398 12.570 -14.082 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.026 13.042 -13.051 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.806 11.811 -14.318 1.00 0.00 H new ATOM 884 N PRO A 78 -0.544 12.122 -10.288 1.00 0.00 N ATOM 885 CA PRO A 78 -0.328 12.830 -9.022 1.00 0.00 C ATOM 886 C PRO A 78 -1.442 13.827 -8.714 1.00 0.00 C ATOM 887 O PRO A 78 -1.601 14.257 -7.571 1.00 0.00 O ATOM 888 CB PRO A 78 0.995 13.562 -9.236 1.00 0.00 C ATOM 889 CG PRO A 78 1.106 13.717 -10.712 1.00 0.00 C ATOM 890 CD PRO A 78 0.452 12.501 -11.305 1.00 0.00 C ATOM 0 HA PRO A 78 -0.317 12.144 -8.175 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.998 14.530 -8.735 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.833 12.992 -8.833 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.612 14.629 -11.047 1.00 0.00 H new ATOM 0 HG3 PRO A 78 2.149 13.789 -11.020 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.017 12.723 -12.264 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.172 11.702 -11.480 1.00 0.00 H new ATOM 898 N ILE A 79 -2.214 14.186 -9.733 1.00 0.00 N ATOM 899 CA ILE A 79 -3.307 15.128 -9.564 1.00 0.00 C ATOM 900 C ILE A 79 -4.655 14.466 -9.816 1.00 0.00 C ATOM 901 O ILE A 79 -5.593 15.106 -10.297 1.00 0.00 O ATOM 902 CB ILE A 79 -3.159 16.337 -10.511 1.00 0.00 C ATOM 903 CG1 ILE A 79 -1.724 16.877 -10.472 1.00 0.00 C ATOM 904 CG2 ILE A 79 -4.151 17.424 -10.139 1.00 0.00 C ATOM 905 CD1 ILE A 79 -1.007 16.778 -11.796 1.00 0.00 C ATOM 0 H ILE A 79 -2.101 13.837 -10.685 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.264 15.473 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.373 16.010 -11.528 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.745 17.920 -10.157 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.158 16.328 -9.719 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.034 18.270 -10.816 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.165 17.033 -10.218 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.967 17.750 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.002 17.178 -11.694 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.954 15.734 -12.104 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.550 17.351 -12.548 1.00 0.00 H new ATOM 917 N ASN A 80 -4.755 13.186 -9.481 1.00 0.00 N ATOM 918 CA ASN A 80 -5.995 12.444 -9.671 1.00 0.00 C ATOM 919 C ASN A 80 -6.264 11.524 -8.475 1.00 0.00 C ATOM 920 O ASN A 80 -6.595 12.002 -7.391 1.00 0.00 O ATOM 921 CB ASN A 80 -5.943 11.655 -10.985 1.00 0.00 C ATOM 922 CG ASN A 80 -7.247 10.940 -11.282 1.00 0.00 C ATOM 923 OD1 ASN A 80 -7.464 9.813 -10.839 1.00 0.00 O ATOM 924 ND2 ASN A 80 -8.124 11.592 -12.036 1.00 0.00 N ATOM 0 H ASN A 80 -3.994 12.641 -9.077 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.822 13.151 -9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.710 12.335 -11.805 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -5.135 10.925 -10.936 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.018 11.159 -12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.904 12.526 -12.383 1.00 0.00 H new ATOM 931 N PHE A 81 -6.128 10.210 -8.663 1.00 0.00 N ATOM 932 CA PHE A 81 -6.368 9.262 -7.582 1.00 0.00 C ATOM 933 C PHE A 81 -5.299 8.174 -7.554 1.00 0.00 C ATOM 934 O PHE A 81 -4.516 8.031 -8.493 1.00 0.00 O ATOM 935 CB PHE A 81 -7.751 8.626 -7.733 1.00 0.00 C ATOM 936 CG PHE A 81 -8.877 9.618 -7.694 1.00 0.00 C ATOM 937 CD1 PHE A 81 -9.089 10.391 -6.572 1.00 0.00 C ATOM 938 CD2 PHE A 81 -9.722 9.770 -8.782 1.00 0.00 C ATOM 939 CE1 PHE A 81 -10.130 11.310 -6.531 1.00 0.00 C ATOM 940 CE2 PHE A 81 -10.760 10.681 -8.750 1.00 0.00 C ATOM 941 CZ PHE A 81 -10.964 11.451 -7.623 1.00 0.00 C ATOM 0 H PHE A 81 -5.855 9.784 -9.548 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.324 9.810 -6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.790 8.082 -8.677 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.894 7.895 -6.937 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.439 10.281 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.567 9.169 -9.666 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.287 11.912 -5.648 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.411 10.790 -9.605 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.775 12.163 -7.595 1.00 0.00 H new ATOM 951 N LEU A 82 -5.280 7.403 -6.471 1.00 0.00 N ATOM 952 CA LEU A 82 -4.318 6.319 -6.320 1.00 0.00 C ATOM 953 C LEU A 82 -4.934 4.997 -6.765 1.00 0.00 C ATOM 954 O LEU A 82 -6.118 4.746 -6.535 1.00 0.00 O ATOM 955 CB LEU A 82 -3.855 6.221 -4.866 1.00 0.00 C ATOM 956 CG LEU A 82 -2.695 7.147 -4.493 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.458 6.812 -5.314 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.095 8.602 -4.691 1.00 0.00 C ATOM 0 H LEU A 82 -5.921 7.510 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.454 6.531 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.701 6.443 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.558 5.192 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.455 6.996 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.644 7.481 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.162 5.781 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.681 6.934 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.260 9.249 -4.422 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.360 8.768 -5.735 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.952 8.833 -4.058 1.00 0.00 H new ATOM 970 N CYS A 83 -4.131 4.158 -7.409 1.00 0.00 N ATOM 971 CA CYS A 83 -4.611 2.868 -7.893 1.00 0.00 C ATOM 972 C CYS A 83 -3.897 1.709 -7.203 1.00 0.00 C ATOM 973 O CYS A 83 -2.751 1.395 -7.523 1.00 0.00 O ATOM 974 CB CYS A 83 -4.418 2.768 -9.408 1.00 0.00 C ATOM 975 SG CYS A 83 -5.737 1.876 -10.264 1.00 0.00 S ATOM 0 H CYS A 83 -3.148 4.346 -7.608 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.673 2.800 -7.656 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.347 3.774 -9.821 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.468 2.272 -9.610 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.384 0.636 -10.432 1.00 0.00 H new ATOM 981 N ILE A 84 -4.591 1.066 -6.270 1.00 0.00 N ATOM 982 CA ILE A 84 -4.032 -0.070 -5.547 1.00 0.00 C ATOM 983 C ILE A 84 -4.499 -1.377 -6.178 1.00 0.00 C ATOM 984 O ILE A 84 -5.685 -1.553 -6.454 1.00 0.00 O ATOM 985 CB ILE A 84 -4.431 -0.046 -4.055 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.783 1.151 -3.356 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.056 -1.355 -3.366 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.405 0.863 -2.814 1.00 0.00 C ATOM 0 H ILE A 84 -5.542 1.313 -5.997 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.946 0.002 -5.611 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.514 0.060 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.721 1.981 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.426 1.474 -2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.348 -1.311 -2.317 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.572 -2.183 -3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.979 -1.508 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.009 1.757 -2.333 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.462 0.054 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.747 0.569 -3.631 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.563 -2.289 -6.410 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.886 -3.574 -7.015 1.00 0.00 C ATOM 1002 C PHE A 85 -3.324 -4.727 -6.195 1.00 0.00 C ATOM 1003 O PHE A 85 -2.178 -5.132 -6.383 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.345 -3.640 -8.443 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.245 -2.993 -9.454 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.483 -3.541 -9.751 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.854 -1.836 -10.108 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.314 -2.947 -10.680 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.681 -1.237 -11.040 1.00 0.00 C ATOM 1010 CZ PHE A 85 -5.913 -1.793 -11.326 1.00 0.00 C ATOM 0 H PHE A 85 -2.575 -2.162 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.972 -3.668 -7.038 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.368 -3.157 -8.476 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.194 -4.684 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.801 -4.443 -9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.892 -1.397 -9.887 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.277 -3.384 -10.902 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.364 -0.336 -11.544 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.561 -1.327 -12.053 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.141 -5.254 -5.287 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.733 -6.368 -4.438 1.00 0.00 C ATOM 1022 C ILE A 86 -4.106 -7.706 -5.084 1.00 0.00 C ATOM 1023 O ILE A 86 -5.276 -8.092 -5.093 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.378 -6.263 -3.036 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.038 -7.492 -2.173 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.884 -6.071 -3.150 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.875 -8.724 -2.466 1.00 0.00 C ATOM 0 H ILE A 86 -5.092 -4.926 -5.120 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.650 -6.320 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.962 -5.387 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.987 -7.741 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.161 -7.227 -1.123 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.318 -6.000 -2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.093 -5.156 -3.703 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.320 -6.920 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.565 -9.538 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.927 -8.499 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.734 -9.021 -3.505 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.118 -8.434 -5.640 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.348 -9.722 -6.287 1.00 0.00 C ATOM 1041 C PRO A 87 -3.347 -10.871 -5.288 1.00 0.00 C ATOM 1042 O PRO A 87 -2.332 -11.150 -4.650 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.162 -9.858 -7.258 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.269 -8.678 -7.003 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.701 -8.077 -5.695 1.00 0.00 C ATOM 0 HA PRO A 87 -4.321 -9.763 -6.777 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.628 -10.793 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.506 -9.869 -8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.225 -8.987 -6.960 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.353 -7.949 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.145 -8.491 -4.854 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.553 -6.997 -5.675 1.00 0.00 H new ATOM 1053 N THR A 88 -4.488 -11.534 -5.151 1.00 0.00 N ATOM 1054 CA THR A 88 -4.607 -12.650 -4.222 1.00 0.00 C ATOM 1055 C THR A 88 -5.295 -13.844 -4.877 1.00 0.00 C ATOM 1056 O THR A 88 -6.218 -13.682 -5.674 1.00 0.00 O ATOM 1057 CB THR A 88 -5.378 -12.215 -2.974 1.00 0.00 C ATOM 1058 OG1 THR A 88 -5.377 -13.242 -1.999 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.821 -11.851 -3.255 1.00 0.00 C ATOM 0 H THR A 88 -5.340 -11.320 -5.669 1.00 0.00 H new ATOM 0 HA THR A 88 -3.602 -12.958 -3.933 1.00 0.00 H new ATOM 0 HB THR A 88 -4.860 -11.326 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.544 -12.854 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.308 -11.552 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.856 -11.025 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.339 -12.713 -3.675 1.00 0.00 H new ATOM 1067 N LEU A 89 -4.837 -15.043 -4.534 1.00 0.00 N ATOM 1068 CA LEU A 89 -5.409 -16.265 -5.088 1.00 0.00 C ATOM 1069 C LEU A 89 -6.750 -16.577 -4.436 1.00 0.00 C ATOM 1070 O LEU A 89 -7.634 -17.164 -5.060 1.00 0.00 O ATOM 1071 CB LEU A 89 -4.447 -17.439 -4.892 1.00 0.00 C ATOM 1072 CG LEU A 89 -4.867 -18.741 -5.576 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -4.126 -18.917 -6.893 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -4.618 -19.932 -4.661 1.00 0.00 C ATOM 0 H LEU A 89 -4.073 -15.195 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.569 -16.112 -6.155 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.465 -17.150 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.339 -17.626 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.935 -18.687 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.438 -19.849 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.355 -18.081 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.053 -18.947 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.923 -20.849 -5.166 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.557 -19.988 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.195 -19.813 -3.744 1.00 0.00 H new ATOM 1086 N PHE A 90 -6.894 -16.179 -3.175 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.124 -16.413 -2.429 1.00 0.00 C ATOM 1088 C PHE A 90 -8.384 -17.905 -2.260 1.00 0.00 C ATOM 1089 O PHE A 90 -8.323 -18.673 -3.219 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.310 -15.744 -3.128 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.643 -16.068 -2.511 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -11.030 -15.477 -1.319 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.508 -16.960 -3.124 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -12.254 -15.772 -0.749 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.733 -17.259 -2.559 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.106 -16.664 -1.371 1.00 0.00 C ATOM 0 H PHE A 90 -6.170 -15.691 -2.648 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.007 -15.973 -1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.166 -14.664 -3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.321 -16.049 -4.175 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -10.368 -14.778 -0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.221 -17.427 -4.055 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -12.544 -15.306 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.397 -17.957 -3.046 1.00 0.00 H new ATOM 0 HZ PHE A 90 -14.063 -16.896 -0.928 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.676 -18.302 -1.027 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.950 -19.701 -0.706 1.00 0.00 C ATOM 1108 C ASP A 91 -8.969 -19.913 0.805 1.00 0.00 C ATOM 1109 O ASP A 91 -9.815 -20.634 1.331 1.00 0.00 O ATOM 1110 CB ASP A 91 -7.903 -20.619 -1.347 1.00 0.00 C ATOM 1111 CG ASP A 91 -8.458 -21.393 -2.526 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -9.424 -20.907 -3.153 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -7.929 -22.484 -2.823 1.00 0.00 O ATOM 0 H ASP A 91 -8.730 -17.671 -0.227 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.931 -19.952 -1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.053 -20.022 -1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.531 -21.319 -0.599 1.00 0.00 H new ATOM 1118 N MET A 92 -8.027 -19.278 1.495 1.00 0.00 N ATOM 1119 CA MET A 92 -7.932 -19.396 2.945 1.00 0.00 C ATOM 1120 C MET A 92 -7.785 -18.021 3.592 1.00 0.00 C ATOM 1121 O MET A 92 -7.097 -17.869 4.601 1.00 0.00 O ATOM 1122 CB MET A 92 -6.745 -20.281 3.329 1.00 0.00 C ATOM 1123 CG MET A 92 -6.798 -20.782 4.762 1.00 0.00 C ATOM 1124 SD MET A 92 -5.212 -21.421 5.334 1.00 0.00 S ATOM 1125 CE MET A 92 -5.702 -23.021 5.977 1.00 0.00 C ATOM 0 H MET A 92 -7.319 -18.677 1.073 1.00 0.00 H new ATOM 0 HA MET A 92 -8.851 -19.855 3.309 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.708 -21.137 2.655 1.00 0.00 H new ATOM 0 HB3 MET A 92 -5.822 -19.720 3.183 1.00 0.00 H new ATOM 0 HG2 MET A 92 -7.115 -19.969 5.415 1.00 0.00 H new ATOM 0 HG3 MET A 92 -7.551 -21.566 4.841 1.00 0.00 H new ATOM 0 HE1 MET A 92 -4.827 -23.539 6.368 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.430 -22.884 6.776 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.147 -23.613 5.178 1.00 0.00 H new ATOM 1135 N ASN A 93 -8.439 -17.025 3.004 1.00 0.00 N ATOM 1136 CA ASN A 93 -8.383 -15.663 3.523 1.00 0.00 C ATOM 1137 C ASN A 93 -9.683 -15.297 4.229 1.00 0.00 C ATOM 1138 O ASN A 93 -9.678 -14.586 5.234 1.00 0.00 O ATOM 1139 CB ASN A 93 -8.108 -14.675 2.388 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.882 -15.049 1.579 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -6.937 -15.135 0.352 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.767 -15.276 2.263 1.00 0.00 N ATOM 0 H ASN A 93 -9.014 -17.135 2.168 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.570 -15.609 4.247 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.975 -14.633 1.729 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.974 -13.676 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.911 -15.533 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.767 -15.193 3.280 1.00 0.00 H new ATOM 1149 N ASN A 94 -10.798 -15.788 3.695 1.00 0.00 N ATOM 1150 CA ASN A 94 -12.110 -15.514 4.273 1.00 0.00 C ATOM 1151 C ASN A 94 -12.375 -14.012 4.348 1.00 0.00 C ATOM 1152 O ASN A 94 -13.135 -13.549 5.198 1.00 0.00 O ATOM 1153 CB ASN A 94 -12.215 -16.134 5.669 1.00 0.00 C ATOM 1154 CG ASN A 94 -12.888 -17.492 5.648 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -13.135 -18.059 4.583 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -13.189 -18.023 6.827 1.00 0.00 N ATOM 0 H ASN A 94 -10.819 -16.378 2.863 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.863 -15.962 3.625 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.217 -16.233 6.096 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.776 -15.464 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.643 -18.935 6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.966 -17.519 7.685 1.00 0.00 H new ATOM 1163 N MET A 95 -11.743 -13.257 3.455 1.00 0.00 N ATOM 1164 CA MET A 95 -11.913 -11.807 3.420 1.00 0.00 C ATOM 1165 C MET A 95 -11.531 -11.181 4.759 1.00 0.00 C ATOM 1166 O MET A 95 -12.320 -10.455 5.365 1.00 0.00 O ATOM 1167 CB MET A 95 -13.360 -11.452 3.069 1.00 0.00 C ATOM 1168 CG MET A 95 -13.690 -11.630 1.595 1.00 0.00 C ATOM 1169 SD MET A 95 -14.284 -10.112 0.823 1.00 0.00 S ATOM 1170 CE MET A 95 -16.002 -10.122 1.334 1.00 0.00 C ATOM 0 H MET A 95 -11.109 -13.624 2.746 1.00 0.00 H new ATOM 0 HA MET A 95 -11.252 -11.406 2.652 1.00 0.00 H new ATOM 0 HB2 MET A 95 -14.032 -12.074 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 95 -13.551 -10.417 3.353 1.00 0.00 H new ATOM 0 HG2 MET A 95 -12.801 -11.977 1.068 1.00 0.00 H new ATOM 0 HG3 MET A 95 -14.447 -12.407 1.488 1.00 0.00 H new ATOM 0 HE1 MET A 95 -16.506 -9.242 0.934 1.00 0.00 H new ATOM 0 HE2 MET A 95 -16.488 -11.022 0.957 1.00 0.00 H new ATOM 0 HE3 MET A 95 -16.058 -10.108 2.422 1.00 0.00 H new ATOM 1180 N ASP A 96 -10.315 -11.465 5.215 1.00 0.00 N ATOM 1181 CA ASP A 96 -9.829 -10.929 6.481 1.00 0.00 C ATOM 1182 C ASP A 96 -8.466 -10.263 6.309 1.00 0.00 C ATOM 1183 O ASP A 96 -7.696 -10.149 7.262 1.00 0.00 O ATOM 1184 CB ASP A 96 -9.738 -12.043 7.527 1.00 0.00 C ATOM 1185 CG ASP A 96 -10.307 -11.625 8.869 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -9.743 -10.700 9.490 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -11.315 -12.223 9.298 1.00 0.00 O ATOM 0 H ASP A 96 -9.649 -12.063 4.727 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.538 -10.174 6.822 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.274 -12.921 7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.695 -12.335 7.653 1.00 0.00 H new ATOM 1192 N LEU A 97 -8.174 -9.825 5.088 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.903 -9.172 4.794 1.00 0.00 C ATOM 1194 C LEU A 97 -7.115 -7.729 4.337 1.00 0.00 C ATOM 1195 O LEU A 97 -6.229 -6.888 4.485 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.142 -9.953 3.720 1.00 0.00 C ATOM 1197 CG LEU A 97 -6.218 -11.477 3.853 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.345 -12.148 2.803 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -5.804 -11.912 5.254 1.00 0.00 C ATOM 0 H LEU A 97 -8.800 -9.910 4.287 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.314 -9.156 5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.530 -9.669 2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.095 -9.653 3.747 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.250 -11.787 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.411 -13.230 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.687 -11.862 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.310 -11.833 2.935 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.864 -12.998 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.781 -11.591 5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.471 -11.459 5.988 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.291 -7.450 3.783 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.614 -6.109 3.308 1.00 0.00 C ATOM 1213 C LEU A 98 -8.919 -5.164 4.471 1.00 0.00 C ATOM 1214 O LEU A 98 -8.990 -3.948 4.290 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.808 -6.162 2.350 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.545 -5.590 0.957 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.842 -6.617 0.082 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -10.847 -5.141 0.313 1.00 0.00 C ATOM 0 H LEU A 98 -9.036 -8.134 3.652 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.743 -5.723 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.125 -7.200 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.639 -5.618 2.799 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.893 -4.722 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.663 -6.192 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.890 -6.892 0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.468 -7.504 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.642 -4.736 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.522 -5.992 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.312 -4.372 0.930 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.101 -5.726 5.664 1.00 0.00 N ATOM 1231 CA LYS A 99 -9.401 -4.928 6.849 1.00 0.00 C ATOM 1232 C LYS A 99 -8.337 -3.854 7.074 1.00 0.00 C ATOM 1233 O LYS A 99 -8.653 -2.723 7.444 1.00 0.00 O ATOM 1234 CB LYS A 99 -9.503 -5.830 8.082 1.00 0.00 C ATOM 1235 CG LYS A 99 -10.820 -5.690 8.830 1.00 0.00 C ATOM 1236 CD LYS A 99 -11.682 -6.933 8.682 1.00 0.00 C ATOM 1237 CE LYS A 99 -12.336 -6.998 7.311 1.00 0.00 C ATOM 1238 NZ LYS A 99 -11.603 -7.909 6.388 1.00 0.00 N ATOM 0 H LYS A 99 -9.046 -6.730 5.835 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.358 -4.432 6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.378 -6.868 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.682 -5.598 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.622 -5.508 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.363 -4.823 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.070 -7.822 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.452 -6.937 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.366 -7.339 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.374 -5.998 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -11.484 -7.445 5.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.669 -8.130 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.144 -8.789 6.266 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.078 -4.217 6.849 1.00 0.00 N ATOM 1253 CA GLN A 100 -5.972 -3.283 7.031 1.00 0.00 C ATOM 1254 C GLN A 100 -5.843 -2.351 5.832 1.00 0.00 C ATOM 1255 O GLN A 100 -5.556 -1.163 5.985 1.00 0.00 O ATOM 1256 CB GLN A 100 -4.662 -4.044 7.248 1.00 0.00 C ATOM 1257 CG GLN A 100 -4.380 -5.095 6.186 1.00 0.00 C ATOM 1258 CD GLN A 100 -4.057 -6.453 6.781 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -2.937 -6.697 7.229 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -5.041 -7.345 6.788 1.00 0.00 N ATOM 0 H GLN A 100 -6.799 -5.148 6.541 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.181 -2.680 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.838 -3.331 7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.690 -4.527 8.225 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.246 -5.186 5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.546 -4.766 5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.954 -7.100 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.883 -8.275 7.175 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.059 -2.893 4.638 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.970 -2.105 3.415 1.00 0.00 C ATOM 1271 C ALA A 101 -7.080 -1.059 3.368 1.00 0.00 C ATOM 1272 O ALA A 101 -6.855 0.088 2.975 1.00 0.00 O ATOM 1273 CB ALA A 101 -6.044 -3.015 2.198 1.00 0.00 C ATOM 0 H ALA A 101 -6.297 -3.874 4.492 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.012 -1.586 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.977 -2.415 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.219 -3.726 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.990 -3.556 2.206 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.278 -1.463 3.776 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.428 -0.567 3.789 1.00 0.00 C ATOM 1281 C LEU A 102 -9.303 0.465 4.905 1.00 0.00 C ATOM 1282 O LEU A 102 -9.867 1.555 4.822 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.721 -1.368 3.960 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.895 -0.897 3.101 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -13.083 -1.831 3.263 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.282 0.529 3.465 1.00 0.00 C ATOM 0 H LEU A 102 -8.478 -2.408 4.103 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.458 -0.040 2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.516 -2.413 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.019 -1.328 5.008 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.586 -0.914 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.909 -1.480 2.644 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.800 -2.837 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.394 -1.847 4.308 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.119 0.849 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.572 0.571 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.432 1.191 3.297 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.560 0.114 5.951 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.364 1.012 7.083 1.00 0.00 C ATOM 1300 C LEU A 103 -7.245 2.010 6.804 1.00 0.00 C ATOM 1301 O LEU A 103 -7.384 3.204 7.071 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.044 0.208 8.346 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.251 -0.129 9.222 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -8.981 -1.380 10.045 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -9.592 1.044 10.129 1.00 0.00 C ATOM 0 H LEU A 103 -8.085 -0.784 6.037 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.289 1.569 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.556 -0.722 8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.326 0.770 8.944 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.105 -0.324 8.573 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.851 -1.604 10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.783 -2.219 9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.115 -1.214 10.686 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.453 0.788 10.746 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.740 1.268 10.770 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.828 1.917 9.521 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.132 1.515 6.271 1.00 0.00 N ATOM 1318 CA ILE A 104 -4.988 2.366 5.965 1.00 0.00 C ATOM 1319 C ILE A 104 -5.362 3.463 4.971 1.00 0.00 C ATOM 1320 O ILE A 104 -5.000 4.625 5.156 1.00 0.00 O ATOM 1321 CB ILE A 104 -3.808 1.547 5.403 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -2.587 2.445 5.179 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.208 0.850 4.110 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -1.510 2.274 6.228 1.00 0.00 C ATOM 0 H ILE A 104 -5.998 0.530 6.042 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.680 2.827 6.903 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.541 0.784 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.164 2.231 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.909 3.486 5.167 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.363 0.277 3.729 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.044 0.178 4.303 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.504 1.595 3.372 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.677 2.940 6.006 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.917 2.516 7.210 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.160 1.242 6.225 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.084 3.094 3.916 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.494 4.062 2.903 1.00 0.00 C ATOM 1338 C LEU A 105 -7.588 4.982 3.439 1.00 0.00 C ATOM 1339 O LEU A 105 -7.545 6.198 3.237 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.982 3.347 1.640 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.236 2.489 1.816 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.493 3.337 1.664 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.239 1.342 0.815 1.00 0.00 C ATOM 0 H LEU A 105 -6.395 2.139 3.741 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.625 4.669 2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.179 4.095 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.177 2.713 1.268 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.228 2.069 2.822 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.374 2.708 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.495 4.123 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.510 3.787 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.138 0.741 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.223 1.743 -0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.358 0.719 0.972 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.566 4.399 4.123 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.667 5.166 4.684 1.00 0.00 C ATOM 1357 C HIS A 106 -9.152 6.211 5.665 1.00 0.00 C ATOM 1358 O HIS A 106 -9.408 7.409 5.503 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.666 4.241 5.382 1.00 0.00 C ATOM 1360 CG HIS A 106 -11.904 4.938 5.851 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.178 5.177 7.183 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -12.946 5.452 5.157 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.331 5.800 7.286 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -13.820 5.985 6.074 1.00 0.00 N ATOM 0 H HIS A 106 -8.617 3.396 4.301 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.174 5.677 3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.947 3.441 4.697 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.178 3.772 6.236 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.068 5.445 4.084 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -13.800 6.109 8.209 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.702 6.448 5.854 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.432 5.763 6.687 1.00 0.00 N ATOM 1374 CA ASN A 107 -7.883 6.666 7.695 1.00 0.00 C ATOM 1375 C ASN A 107 -7.032 7.752 7.043 1.00 0.00 C ATOM 1376 O ASN A 107 -6.967 8.880 7.531 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.043 5.881 8.707 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.835 5.505 9.945 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -8.393 4.408 10.024 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -7.884 6.408 10.915 1.00 0.00 N ATOM 0 H ASN A 107 -8.214 4.779 6.841 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.714 7.143 8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.661 4.976 8.234 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.179 6.478 8.999 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.399 6.208 11.772 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.406 7.302 10.804 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.382 7.399 5.934 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.538 8.343 5.212 1.00 0.00 C ATOM 1389 C ASP A 108 -6.349 9.550 4.751 1.00 0.00 C ATOM 1390 O ASP A 108 -5.912 10.696 4.883 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.889 7.668 4.011 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.597 8.343 3.594 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.482 9.570 3.776 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.697 7.642 3.084 1.00 0.00 O ATOM 0 H ASP A 108 -6.425 6.468 5.519 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.757 8.685 5.891 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.689 6.623 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.586 7.676 3.173 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.533 9.287 4.210 1.00 0.00 N ATOM 1400 CA LEU A 109 -8.410 10.354 3.728 1.00 0.00 C ATOM 1401 C LEU A 109 -9.508 10.680 4.743 1.00 0.00 C ATOM 1402 O LEU A 109 -10.331 11.555 4.507 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.041 9.953 2.392 1.00 0.00 C ATOM 1404 CG LEU A 109 -9.732 11.083 1.632 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -8.798 11.681 0.593 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -11.011 10.584 0.977 1.00 0.00 C ATOM 0 H LEU A 109 -7.910 8.346 4.093 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.801 11.248 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.265 9.530 1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.769 9.162 2.575 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.994 11.864 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.310 12.484 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.912 12.079 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -8.502 10.909 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.489 11.404 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.773 9.782 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.689 10.208 1.743 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.516 9.958 5.864 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.525 10.184 6.897 1.00 0.00 C ATOM 1420 C HIS A 110 -10.193 11.414 7.740 1.00 0.00 C ATOM 1421 O HIS A 110 -10.848 12.445 7.624 1.00 0.00 O ATOM 1422 CB HIS A 110 -10.648 8.948 7.793 1.00 0.00 C ATOM 1423 CG HIS A 110 -11.831 8.999 8.710 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.016 8.111 9.750 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.896 9.840 8.741 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -13.144 8.406 10.380 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -13.695 9.449 9.787 1.00 0.00 N ATOM 0 H HIS A 110 -8.844 9.221 6.078 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.479 10.364 6.401 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.720 8.059 7.167 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.740 8.846 8.387 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.081 10.664 8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -13.545 7.881 11.235 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -14.572 9.892 10.061 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.174 11.296 8.587 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.770 12.403 9.445 1.00 0.00 C ATOM 1438 C GLU A 111 -7.778 13.317 8.734 1.00 0.00 C ATOM 1439 O GLU A 111 -8.071 14.480 8.471 1.00 0.00 O ATOM 1440 CB GLU A 111 -8.153 11.874 10.742 1.00 0.00 C ATOM 1441 CG GLU A 111 -8.523 12.680 11.969 1.00 0.00 C ATOM 1442 CD GLU A 111 -7.518 13.776 12.272 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -6.335 13.611 11.916 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -7.916 14.798 12.865 1.00 0.00 O ATOM 0 H GLU A 111 -8.616 10.449 8.697 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.661 12.983 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.469 10.841 10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.068 11.864 10.639 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.507 13.125 11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.598 12.013 12.828 1.00 0.00 H new