USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 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 118 THR OG1 : rot 122:sc= -2.3! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -8.86! C(o=-11!,f=-25!) USER MOD Set 2.1: A 50 LYS NZ :NH3+ 152:sc= 0.459 (180deg=0.278) USER MOD Set 2.2: A 71 TYR OH : rot 30:sc= -0.572 USER MOD Single : A 36 ASN : amide:sc= -1.92! C(o=-1.9!,f=-7.6!) USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= -0.0282 (180deg=-0.261) USER MOD Single : A 42 HIS : no HD1:sc= -2.4! X(o=-2.4!,f=-2.1) USER MOD Single : A 45 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 47 LYS NZ :NH3+ 140:sc= 0.648 (180deg=0.333) USER MOD Single : A 48 HIS : no HE2:sc= -10.6! C(o=-11!,f=-22!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl -168:sc=-0.00233 (180deg=-0.172) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= -0.1 (180deg=-0.1) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.108 F(o=-1.7,f=-0.11) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.04 F(o=-3.8!,f=-1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 143:sc= -0.148 (180deg=-1.09) USER MOD Single : A 78 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.4!) USER MOD Single : A 85 MET CE :methyl -148:sc= -0.927 (180deg=-2.76!) USER MOD Single : A 86 THR OG1 : rot 111:sc= -0.121! USER MOD Single : A 89 SER OG : rot 131:sc= -2.21! USER MOD Single : A 90 MET CE :methyl -167:sc= 0 (180deg=-0.326) USER MOD Single : A 95 GLN : amide:sc= -2.31 K(o=-2.3,f=-7.4!) USER MOD Single : A 112 THR OG1 : rot 26:sc= 0.737 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.438) USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 126 MET CE :methyl 163:sc= -2.18! (180deg=-2.43!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -0.730 -18.338 -12.067 1.00 0.00 N ATOM 2 CA ASN A 36 0.347 -17.860 -12.986 1.00 0.00 C ATOM 3 C ASN A 36 -0.129 -16.609 -13.717 1.00 0.00 C ATOM 4 O ASN A 36 0.310 -16.300 -14.807 1.00 0.00 O ATOM 5 CB ASN A 36 0.528 -19.001 -13.976 1.00 0.00 C ATOM 6 CG ASN A 36 -0.769 -19.180 -14.764 1.00 0.00 C ATOM 7 OD1 ASN A 36 -1.695 -18.406 -14.620 1.00 0.00 O ATOM 8 ND2 ASN A 36 -0.886 -20.174 -15.593 1.00 0.00 N ATOM 0 HA ASN A 36 1.271 -17.608 -12.465 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.354 -18.785 -14.653 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.780 -19.921 -13.449 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.751 -20.301 -16.118 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.113 -20.827 -15.719 1.00 0.00 H new ATOM 15 N ALA A 37 -1.045 -15.905 -13.128 1.00 0.00 N ATOM 16 CA ALA A 37 -1.590 -14.687 -13.776 1.00 0.00 C ATOM 17 C ALA A 37 -1.007 -13.431 -13.130 1.00 0.00 C ATOM 18 O ALA A 37 -0.373 -13.485 -12.096 1.00 0.00 O ATOM 19 CB ALA A 37 -3.094 -14.775 -13.535 1.00 0.00 C ATOM 0 H ALA A 37 -1.445 -16.123 -12.215 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.343 -14.628 -14.836 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.585 -13.911 -13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.482 -15.687 -13.988 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.290 -14.790 -12.463 1.00 0.00 H new ATOM 25 N VAL A 38 -1.212 -12.301 -13.741 1.00 0.00 N ATOM 26 CA VAL A 38 -0.666 -11.037 -13.176 1.00 0.00 C ATOM 27 C VAL A 38 -1.773 -9.986 -13.078 1.00 0.00 C ATOM 28 O VAL A 38 -2.723 -10.002 -13.834 1.00 0.00 O ATOM 29 CB VAL A 38 0.418 -10.603 -14.173 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.075 -10.839 -15.602 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.733 -9.116 -13.988 1.00 0.00 C ATOM 0 H VAL A 38 -1.736 -12.197 -14.610 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.265 -11.163 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 38 1.320 -11.189 -13.993 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.696 -10.530 -16.308 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.292 -11.898 -15.742 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.980 -10.257 -15.775 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.503 -8.816 -14.699 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.169 -8.529 -14.161 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.090 -8.943 -12.973 1.00 0.00 H new ATOM 41 N LYS A 39 -1.645 -9.058 -12.172 1.00 0.00 N ATOM 42 CA LYS A 39 -2.684 -7.993 -12.050 1.00 0.00 C ATOM 43 C LYS A 39 -2.199 -6.738 -12.770 1.00 0.00 C ATOM 44 O LYS A 39 -1.064 -6.326 -12.618 1.00 0.00 O ATOM 45 CB LYS A 39 -2.838 -7.737 -10.550 1.00 0.00 C ATOM 46 CG LYS A 39 -3.556 -8.918 -9.898 1.00 0.00 C ATOM 47 CD LYS A 39 -3.983 -8.535 -8.479 1.00 0.00 C ATOM 48 CE LYS A 39 -5.493 -8.287 -8.448 1.00 0.00 C ATOM 49 NZ LYS A 39 -5.663 -6.842 -8.777 1.00 0.00 N ATOM 0 H LYS A 39 -0.870 -8.989 -11.512 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.636 -8.281 -12.495 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.859 -7.597 -10.093 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.402 -6.819 -10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.428 -9.198 -10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.898 -9.787 -9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.720 -9.331 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.450 -7.640 -8.157 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.010 -8.918 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.909 -8.519 -7.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.642 -6.553 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.010 -6.275 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.456 -6.689 -9.785 1.00 0.00 H new ATOM 63 N VAL A 40 -3.031 -6.136 -13.575 1.00 0.00 N ATOM 64 CA VAL A 40 -2.573 -4.924 -14.318 1.00 0.00 C ATOM 65 C VAL A 40 -3.556 -3.756 -14.187 1.00 0.00 C ATOM 66 O VAL A 40 -4.759 -3.925 -14.194 1.00 0.00 O ATOM 67 CB VAL A 40 -2.488 -5.373 -15.776 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.152 -4.173 -16.662 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.395 -6.434 -15.921 1.00 0.00 C ATOM 0 H VAL A 40 -3.994 -6.424 -13.750 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.625 -4.559 -13.923 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.446 -5.793 -16.081 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.092 -4.494 -17.702 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.930 -3.417 -16.560 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.194 -3.752 -16.356 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.334 -6.754 -16.961 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.437 -6.014 -15.614 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.634 -7.291 -15.291 1.00 0.00 H new ATOM 79 N ARG A 41 -3.030 -2.563 -14.101 1.00 0.00 N ATOM 80 CA ARG A 41 -3.889 -1.347 -14.010 1.00 0.00 C ATOM 81 C ARG A 41 -3.477 -0.390 -15.131 1.00 0.00 C ATOM 82 O ARG A 41 -2.332 0.000 -15.223 1.00 0.00 O ATOM 83 CB ARG A 41 -3.584 -0.736 -12.640 1.00 0.00 C ATOM 84 CG ARG A 41 -4.096 -1.664 -11.537 1.00 0.00 C ATOM 85 CD ARG A 41 -4.215 -0.882 -10.227 1.00 0.00 C ATOM 86 NE ARG A 41 -5.013 -1.761 -9.328 1.00 0.00 N ATOM 87 CZ ARG A 41 -5.185 -1.434 -8.076 1.00 0.00 C ATOM 88 NH1 ARG A 41 -4.523 -0.432 -7.562 1.00 0.00 N ATOM 89 NH2 ARG A 41 -6.022 -2.109 -7.335 1.00 0.00 N ATOM 0 H ARG A 41 -2.027 -2.378 -14.090 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.953 -1.560 -14.113 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.510 -0.582 -12.530 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.056 0.243 -12.554 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.065 -2.077 -11.816 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.415 -2.506 -11.410 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.234 -0.670 -9.803 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.709 0.077 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.426 -2.620 -9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.870 0.097 -8.139 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.660 -0.179 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.541 -2.891 -7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.157 -1.854 -6.357 1.00 0.00 H new ATOM 103 N HIS A 42 -4.376 -0.035 -16.010 1.00 0.00 N ATOM 104 CA HIS A 42 -3.972 0.864 -17.130 1.00 0.00 C ATOM 105 C HIS A 42 -5.087 1.842 -17.521 1.00 0.00 C ATOM 106 O HIS A 42 -6.243 1.663 -17.187 1.00 0.00 O ATOM 107 CB HIS A 42 -3.663 -0.109 -18.288 1.00 0.00 C ATOM 108 CG HIS A 42 -4.861 -0.250 -19.199 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.093 0.624 -20.251 1.00 0.00 N ATOM 110 CD2 HIS A 42 -5.901 -1.143 -19.216 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.236 0.240 -20.851 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.769 -0.833 -20.259 1.00 0.00 N ATOM 0 H HIS A 42 -5.355 -0.322 -16.003 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.126 1.496 -16.860 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.807 0.255 -18.857 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.388 -1.084 -17.887 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.028 -1.963 -18.525 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.669 0.738 -21.706 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.627 -1.320 -20.516 1.00 0.00 H new ATOM 120 N ILE A 43 -4.738 2.857 -18.268 1.00 0.00 N ATOM 121 CA ILE A 43 -5.754 3.836 -18.742 1.00 0.00 C ATOM 122 C ILE A 43 -5.643 3.953 -20.264 1.00 0.00 C ATOM 123 O ILE A 43 -4.564 3.875 -20.820 1.00 0.00 O ATOM 124 CB ILE A 43 -5.413 5.172 -18.064 1.00 0.00 C ATOM 125 CG1 ILE A 43 -4.028 5.651 -18.509 1.00 0.00 C ATOM 126 CG2 ILE A 43 -5.421 4.999 -16.546 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.938 7.168 -18.340 1.00 0.00 C ATOM 0 H ILE A 43 -3.783 3.049 -18.571 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.773 3.535 -18.497 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.160 5.911 -18.353 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.254 5.161 -17.918 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.854 5.379 -19.550 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.179 5.949 -16.070 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.409 4.673 -16.222 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.681 4.251 -16.261 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.953 7.512 -18.656 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.703 7.648 -18.950 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.094 7.427 -17.293 1.00 0.00 H new ATOM 139 N LEU A 44 -6.737 4.133 -20.949 1.00 0.00 N ATOM 140 CA LEU A 44 -6.666 4.246 -22.434 1.00 0.00 C ATOM 141 C LEU A 44 -6.763 5.713 -22.853 1.00 0.00 C ATOM 142 O LEU A 44 -7.714 6.399 -22.536 1.00 0.00 O ATOM 143 CB LEU A 44 -7.860 3.449 -22.960 1.00 0.00 C ATOM 144 CG LEU A 44 -7.463 2.721 -24.246 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.662 1.937 -24.782 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.017 3.743 -25.294 1.00 0.00 C ATOM 0 H LEU A 44 -7.672 4.207 -20.549 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.726 3.864 -22.832 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.189 2.730 -22.210 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.700 4.117 -23.152 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.644 2.034 -24.034 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.378 1.419 -25.698 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.983 1.208 -24.037 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.481 2.624 -24.993 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.734 3.225 -26.210 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.837 4.430 -25.504 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.162 4.303 -24.915 1.00 0.00 H new ATOM 158 N CYS A 45 -5.780 6.198 -23.560 1.00 0.00 N ATOM 159 CA CYS A 45 -5.810 7.621 -23.997 1.00 0.00 C ATOM 160 C CYS A 45 -5.987 7.706 -25.514 1.00 0.00 C ATOM 161 O CYS A 45 -5.909 6.718 -26.217 1.00 0.00 O ATOM 162 CB CYS A 45 -4.452 8.188 -23.581 1.00 0.00 C ATOM 163 SG CYS A 45 -4.157 7.824 -21.834 1.00 0.00 S ATOM 0 H CYS A 45 -4.958 5.670 -23.854 1.00 0.00 H new ATOM 0 HA CYS A 45 -6.637 8.174 -23.552 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.661 7.753 -24.193 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.429 9.265 -23.748 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.002 8.304 -21.480 1.00 0.00 H new ATOM 169 N GLU A 46 -6.230 8.881 -26.021 1.00 0.00 N ATOM 170 CA GLU A 46 -6.419 9.041 -27.490 1.00 0.00 C ATOM 171 C GLU A 46 -5.070 9.284 -28.177 1.00 0.00 C ATOM 172 O GLU A 46 -4.028 8.951 -27.647 1.00 0.00 O ATOM 173 CB GLU A 46 -7.328 10.260 -27.619 1.00 0.00 C ATOM 174 CG GLU A 46 -8.690 9.952 -26.992 1.00 0.00 C ATOM 175 CD GLU A 46 -9.307 11.241 -26.446 1.00 0.00 C ATOM 176 OE1 GLU A 46 -8.552 12.143 -26.121 1.00 0.00 O ATOM 177 OE2 GLU A 46 -10.522 11.303 -26.363 1.00 0.00 O ATOM 0 H GLU A 46 -6.306 9.742 -25.479 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.847 8.157 -27.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.874 11.119 -27.124 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.451 10.525 -28.669 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.351 9.507 -27.735 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.576 9.223 -26.190 1.00 0.00 H new ATOM 184 N LYS A 47 -5.073 9.857 -29.355 1.00 0.00 N ATOM 185 CA LYS A 47 -3.778 10.103 -30.060 1.00 0.00 C ATOM 186 C LYS A 47 -3.660 11.560 -30.503 1.00 0.00 C ATOM 187 O LYS A 47 -4.099 11.930 -31.575 1.00 0.00 O ATOM 188 CB LYS A 47 -3.805 9.186 -31.282 1.00 0.00 C ATOM 189 CG LYS A 47 -4.217 7.779 -30.860 1.00 0.00 C ATOM 190 CD LYS A 47 -4.210 6.859 -32.082 1.00 0.00 C ATOM 191 CE LYS A 47 -5.374 7.226 -33.003 1.00 0.00 C ATOM 192 NZ LYS A 47 -6.583 6.679 -32.329 1.00 0.00 N ATOM 0 H LYS A 47 -5.908 10.162 -29.855 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.927 9.903 -29.408 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.504 9.573 -32.024 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.822 9.162 -31.752 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.532 7.400 -30.102 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.210 7.798 -30.411 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.265 6.954 -32.617 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.295 5.819 -31.768 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.449 8.306 -33.134 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.245 6.793 -33.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.368 7.355 -32.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.850 5.777 -32.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.378 6.522 -31.322 1.00 0.00 H new ATOM 206 N HIS A 48 -3.068 12.394 -29.693 1.00 0.00 N ATOM 207 CA HIS A 48 -2.923 13.829 -30.077 1.00 0.00 C ATOM 208 C HIS A 48 -1.489 14.295 -29.820 1.00 0.00 C ATOM 209 O HIS A 48 -1.211 15.475 -29.752 1.00 0.00 O ATOM 210 CB HIS A 48 -3.901 14.589 -29.181 1.00 0.00 C ATOM 211 CG HIS A 48 -5.187 13.820 -29.082 1.00 0.00 C ATOM 212 ND1 HIS A 48 -5.732 13.148 -30.163 1.00 0.00 N ATOM 213 CD2 HIS A 48 -6.025 13.581 -28.029 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.848 12.535 -29.734 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.076 12.772 -28.442 1.00 0.00 N ATOM 0 H HIS A 48 -2.679 12.146 -28.783 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.133 13.996 -31.134 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.470 14.728 -28.189 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.089 15.582 -29.589 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.356 13.123 -31.111 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.890 13.963 -27.028 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.483 11.925 -30.359 1.00 0.00 H new ATOM 223 N GLY A 49 -0.578 13.372 -29.668 1.00 0.00 N ATOM 224 CA GLY A 49 0.835 13.760 -29.403 1.00 0.00 C ATOM 225 C GLY A 49 0.980 14.160 -27.933 1.00 0.00 C ATOM 226 O GLY A 49 2.039 14.554 -27.487 1.00 0.00 O ATOM 0 H GLY A 49 -0.752 12.368 -29.716 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.502 12.929 -29.634 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.124 14.590 -30.048 1.00 0.00 H new ATOM 230 N LYS A 50 -0.081 14.059 -27.177 1.00 0.00 N ATOM 231 CA LYS A 50 -0.015 14.430 -25.735 1.00 0.00 C ATOM 232 C LYS A 50 0.520 13.255 -24.914 1.00 0.00 C ATOM 233 O LYS A 50 0.877 13.399 -23.761 1.00 0.00 O ATOM 234 CB LYS A 50 -1.464 14.745 -25.354 1.00 0.00 C ATOM 235 CG LYS A 50 -1.545 15.106 -23.869 1.00 0.00 C ATOM 236 CD LYS A 50 -2.792 14.465 -23.256 1.00 0.00 C ATOM 237 CE LYS A 50 -3.819 15.554 -22.931 1.00 0.00 C ATOM 238 NZ LYS A 50 -4.864 14.868 -22.121 1.00 0.00 N ATOM 0 H LYS A 50 -0.993 13.734 -27.498 1.00 0.00 H new ATOM 0 HA LYS A 50 0.651 15.272 -25.546 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.837 15.571 -25.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.100 13.885 -25.563 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.652 14.758 -23.350 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.583 16.189 -23.748 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.220 13.742 -23.950 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.526 13.919 -22.351 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.363 16.373 -22.375 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.242 15.982 -23.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.315 15.555 -21.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.581 14.460 -22.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.426 14.110 -21.560 1.00 0.00 H new ATOM 252 N ILE A 51 0.579 12.091 -25.499 1.00 0.00 N ATOM 253 CA ILE A 51 1.087 10.907 -24.752 1.00 0.00 C ATOM 254 C ILE A 51 2.338 11.284 -23.942 1.00 0.00 C ATOM 255 O ILE A 51 2.493 10.886 -22.805 1.00 0.00 O ATOM 256 CB ILE A 51 1.382 9.854 -25.837 1.00 0.00 C ATOM 257 CG1 ILE A 51 0.901 8.488 -25.349 1.00 0.00 C ATOM 258 CG2 ILE A 51 2.882 9.779 -26.148 1.00 0.00 C ATOM 259 CD1 ILE A 51 1.606 8.137 -24.039 1.00 0.00 C ATOM 0 H ILE A 51 0.297 11.909 -26.462 1.00 0.00 H new ATOM 0 HA ILE A 51 0.373 10.524 -24.023 1.00 0.00 H new ATOM 0 HB ILE A 51 0.858 10.142 -26.749 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.179 8.503 -25.201 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.109 7.727 -26.101 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.057 9.027 -26.917 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.229 10.749 -26.504 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.428 9.507 -25.244 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.263 7.163 -23.691 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.683 8.105 -24.203 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.375 8.892 -23.288 1.00 0.00 H new ATOM 271 N MET A 52 3.226 12.054 -24.514 1.00 0.00 N ATOM 272 CA MET A 52 4.452 12.453 -23.761 1.00 0.00 C ATOM 273 C MET A 52 4.059 13.241 -22.508 1.00 0.00 C ATOM 274 O MET A 52 4.568 13.010 -21.428 1.00 0.00 O ATOM 275 CB MET A 52 5.245 13.337 -24.725 1.00 0.00 C ATOM 276 CG MET A 52 6.557 13.758 -24.063 1.00 0.00 C ATOM 277 SD MET A 52 7.408 14.957 -25.118 1.00 0.00 S ATOM 278 CE MET A 52 8.308 13.761 -26.134 1.00 0.00 C ATOM 0 H MET A 52 3.157 12.422 -25.463 1.00 0.00 H new ATOM 0 HA MET A 52 5.035 11.593 -23.431 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.448 12.796 -25.649 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.661 14.217 -24.993 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.359 14.195 -23.084 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.191 12.886 -23.901 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.912 14.291 -26.870 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.957 13.158 -25.498 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.598 13.112 -26.647 1.00 0.00 H new ATOM 288 N GLU A 53 3.148 14.163 -22.638 1.00 0.00 N ATOM 289 CA GLU A 53 2.720 14.948 -21.449 1.00 0.00 C ATOM 290 C GLU A 53 1.880 14.060 -20.530 1.00 0.00 C ATOM 291 O GLU A 53 1.893 14.207 -19.323 1.00 0.00 O ATOM 292 CB GLU A 53 1.883 16.098 -22.006 1.00 0.00 C ATOM 293 CG GLU A 53 1.490 17.041 -20.868 1.00 0.00 C ATOM 294 CD GLU A 53 0.760 18.257 -21.441 1.00 0.00 C ATOM 295 OE1 GLU A 53 1.172 18.733 -22.485 1.00 0.00 O ATOM 296 OE2 GLU A 53 -0.199 18.692 -20.824 1.00 0.00 O ATOM 0 H GLU A 53 2.683 14.406 -23.513 1.00 0.00 H new ATOM 0 HA GLU A 53 3.562 15.318 -20.864 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.449 16.641 -22.763 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.990 15.708 -22.495 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.849 16.521 -20.156 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.378 17.360 -20.323 1.00 0.00 H new ATOM 303 N ALA A 54 1.157 13.132 -21.094 1.00 0.00 N ATOM 304 CA ALA A 54 0.323 12.224 -20.256 1.00 0.00 C ATOM 305 C ALA A 54 1.215 11.458 -19.279 1.00 0.00 C ATOM 306 O ALA A 54 1.007 11.484 -18.082 1.00 0.00 O ATOM 307 CB ALA A 54 -0.340 11.267 -21.247 1.00 0.00 C ATOM 0 H ALA A 54 1.107 12.963 -22.099 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.415 12.763 -19.662 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.973 10.564 -20.706 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.948 11.836 -21.951 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.428 10.718 -21.792 1.00 0.00 H new ATOM 313 N MET A 55 2.215 10.779 -19.777 1.00 0.00 N ATOM 314 CA MET A 55 3.121 10.022 -18.868 1.00 0.00 C ATOM 315 C MET A 55 3.896 11.000 -17.980 1.00 0.00 C ATOM 316 O MET A 55 4.344 10.653 -16.907 1.00 0.00 O ATOM 317 CB MET A 55 4.070 9.251 -19.790 1.00 0.00 C ATOM 318 CG MET A 55 5.054 10.222 -20.440 1.00 0.00 C ATOM 319 SD MET A 55 6.041 9.343 -21.676 1.00 0.00 S ATOM 320 CE MET A 55 7.194 8.555 -20.526 1.00 0.00 C ATOM 0 H MET A 55 2.442 10.717 -20.770 1.00 0.00 H new ATOM 0 HA MET A 55 2.578 9.348 -18.205 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.611 8.495 -19.221 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.501 8.726 -20.557 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.514 11.045 -20.908 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.705 10.658 -19.682 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.028 8.128 -21.083 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.570 9.297 -19.822 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.680 7.764 -19.980 1.00 0.00 H new ATOM 330 N GLU A 56 4.053 12.223 -18.415 1.00 0.00 N ATOM 331 CA GLU A 56 4.792 13.219 -17.585 1.00 0.00 C ATOM 332 C GLU A 56 4.032 13.483 -16.281 1.00 0.00 C ATOM 333 O GLU A 56 4.617 13.566 -15.223 1.00 0.00 O ATOM 334 CB GLU A 56 4.852 14.485 -18.438 1.00 0.00 C ATOM 335 CG GLU A 56 5.793 15.498 -17.783 1.00 0.00 C ATOM 336 CD GLU A 56 7.238 15.021 -17.928 1.00 0.00 C ATOM 337 OE1 GLU A 56 7.430 13.902 -18.376 1.00 0.00 O ATOM 338 OE2 GLU A 56 8.129 15.782 -17.592 1.00 0.00 O ATOM 0 H GLU A 56 3.703 12.574 -19.306 1.00 0.00 H new ATOM 0 HA GLU A 56 5.787 12.870 -17.310 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.202 14.244 -19.442 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.855 14.913 -18.542 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.673 16.476 -18.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.542 15.615 -16.729 1.00 0.00 H new ATOM 345 N LYS A 57 2.735 13.605 -16.348 1.00 0.00 N ATOM 346 CA LYS A 57 1.948 13.846 -15.102 1.00 0.00 C ATOM 347 C LYS A 57 1.760 12.521 -14.367 1.00 0.00 C ATOM 348 O LYS A 57 1.819 12.448 -13.155 1.00 0.00 O ATOM 349 CB LYS A 57 0.601 14.392 -15.573 1.00 0.00 C ATOM 350 CG LYS A 57 0.763 15.846 -16.021 1.00 0.00 C ATOM 351 CD LYS A 57 -0.605 16.417 -16.398 1.00 0.00 C ATOM 352 CE LYS A 57 -0.498 17.934 -16.571 1.00 0.00 C ATOM 353 NZ LYS A 57 -0.242 18.136 -18.023 1.00 0.00 N ATOM 0 H LYS A 57 2.187 13.549 -17.206 1.00 0.00 H new ATOM 0 HA LYS A 57 2.441 14.539 -14.420 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.220 13.788 -16.397 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.130 14.329 -14.767 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.208 16.437 -15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.440 15.902 -16.873 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.959 15.960 -17.322 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.335 16.180 -15.624 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.415 18.433 -16.258 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.311 18.345 -15.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.156 19.153 -18.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.641 17.655 -18.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.031 17.741 -18.573 1.00 0.00 H new ATOM 367 N LEU A 58 1.544 11.469 -15.105 1.00 0.00 N ATOM 368 CA LEU A 58 1.361 10.129 -14.484 1.00 0.00 C ATOM 369 C LEU A 58 2.673 9.699 -13.815 1.00 0.00 C ATOM 370 O LEU A 58 2.695 9.278 -12.676 1.00 0.00 O ATOM 371 CB LEU A 58 0.988 9.224 -15.674 1.00 0.00 C ATOM 372 CG LEU A 58 1.503 7.790 -15.483 1.00 0.00 C ATOM 373 CD1 LEU A 58 0.416 6.923 -14.861 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.877 7.207 -16.843 1.00 0.00 C ATOM 0 H LEU A 58 1.486 11.481 -16.123 1.00 0.00 H new ATOM 0 HA LEU A 58 0.600 10.095 -13.705 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.095 9.208 -15.793 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.404 9.640 -16.592 1.00 0.00 H new ATOM 0 HG LEU A 58 2.373 7.809 -14.826 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.791 5.908 -14.730 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.133 7.334 -13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.455 6.906 -15.516 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.244 6.189 -16.714 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.999 7.198 -17.489 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.656 7.818 -17.299 1.00 0.00 H new ATOM 386 N LYS A 59 3.764 9.801 -14.525 1.00 0.00 N ATOM 387 CA LYS A 59 5.080 9.400 -13.949 1.00 0.00 C ATOM 388 C LYS A 59 4.987 8.000 -13.327 1.00 0.00 C ATOM 389 O LYS A 59 4.601 7.048 -13.978 1.00 0.00 O ATOM 390 CB LYS A 59 5.391 10.453 -12.883 1.00 0.00 C ATOM 391 CG LYS A 59 5.358 11.848 -13.502 1.00 0.00 C ATOM 392 CD LYS A 59 6.243 12.789 -12.681 1.00 0.00 C ATOM 393 CE LYS A 59 5.865 12.682 -11.201 1.00 0.00 C ATOM 394 NZ LYS A 59 6.750 13.659 -10.506 1.00 0.00 N ATOM 0 H LYS A 59 3.801 10.147 -15.484 1.00 0.00 H new ATOM 0 HA LYS A 59 5.863 9.353 -14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.664 10.388 -12.073 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.372 10.263 -12.447 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.708 11.809 -14.533 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.335 12.223 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.293 12.531 -12.819 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.119 13.816 -13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.813 12.921 -11.044 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.022 11.671 -10.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.550 13.644 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.745 13.402 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.574 14.614 -10.879 1.00 0.00 H new ATOM 408 N SER A 60 5.337 7.862 -12.073 1.00 0.00 N ATOM 409 CA SER A 60 5.270 6.525 -11.418 1.00 0.00 C ATOM 410 C SER A 60 3.812 6.119 -11.211 1.00 0.00 C ATOM 411 O SER A 60 3.469 4.953 -11.250 1.00 0.00 O ATOM 412 CB SER A 60 5.972 6.710 -10.074 1.00 0.00 C ATOM 413 OG SER A 60 6.112 5.446 -9.439 1.00 0.00 O ATOM 0 H SER A 60 5.666 8.620 -11.476 1.00 0.00 H new ATOM 0 HA SER A 60 5.738 5.743 -12.016 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.951 7.166 -10.222 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.398 7.386 -9.441 1.00 0.00 H new ATOM 0 HG SER A 60 6.564 5.561 -8.577 1.00 0.00 H new ATOM 419 N GLY A 61 2.949 7.072 -10.995 1.00 0.00 N ATOM 420 CA GLY A 61 1.514 6.739 -10.790 1.00 0.00 C ATOM 421 C GLY A 61 1.021 7.350 -9.479 1.00 0.00 C ATOM 422 O GLY A 61 -0.088 7.100 -9.049 1.00 0.00 O ATOM 0 H GLY A 61 3.176 8.066 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.921 7.117 -11.623 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.382 5.657 -10.770 1.00 0.00 H new ATOM 426 N MET A 62 1.825 8.156 -8.834 1.00 0.00 N ATOM 427 CA MET A 62 1.368 8.773 -7.557 1.00 0.00 C ATOM 428 C MET A 62 -0.033 9.351 -7.750 1.00 0.00 C ATOM 429 O MET A 62 -0.900 9.210 -6.910 1.00 0.00 O ATOM 430 CB MET A 62 2.373 9.885 -7.252 1.00 0.00 C ATOM 431 CG MET A 62 2.099 10.438 -5.850 1.00 0.00 C ATOM 432 SD MET A 62 3.523 11.401 -5.285 1.00 0.00 S ATOM 433 CE MET A 62 2.824 11.924 -3.700 1.00 0.00 C ATOM 0 H MET A 62 2.766 8.410 -9.133 1.00 0.00 H new ATOM 0 HA MET A 62 1.319 8.053 -6.740 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.391 9.499 -7.312 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.290 10.680 -7.993 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.207 11.064 -5.863 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.904 9.619 -5.157 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.548 12.543 -3.170 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.914 12.498 -3.875 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.588 11.046 -3.099 1.00 0.00 H new ATOM 443 N ARG A 63 -0.260 9.990 -8.863 1.00 0.00 N ATOM 444 CA ARG A 63 -1.605 10.567 -9.135 1.00 0.00 C ATOM 445 C ARG A 63 -2.295 9.746 -10.227 1.00 0.00 C ATOM 446 O ARG A 63 -3.085 10.252 -10.999 1.00 0.00 O ATOM 447 CB ARG A 63 -1.338 11.996 -9.611 1.00 0.00 C ATOM 448 CG ARG A 63 -1.347 12.942 -8.410 1.00 0.00 C ATOM 449 CD ARG A 63 -0.526 14.191 -8.737 1.00 0.00 C ATOM 450 NE ARG A 63 -0.336 14.882 -7.431 1.00 0.00 N ATOM 451 CZ ARG A 63 -1.267 15.670 -6.967 1.00 0.00 C ATOM 452 NH1 ARG A 63 -1.684 16.680 -7.680 1.00 0.00 N ATOM 453 NH2 ARG A 63 -1.782 15.450 -5.787 1.00 0.00 N ATOM 0 H ARG A 63 0.431 10.138 -9.599 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.256 10.556 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.376 12.047 -10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.097 12.299 -10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.371 13.222 -8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.933 12.440 -7.535 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.431 13.927 -9.187 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.047 14.830 -9.449 1.00 0.00 H new ATOM 0 HE ARG A 63 0.522 14.739 -6.899 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.282 16.854 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.412 17.295 -7.316 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.457 14.662 -5.227 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.510 16.066 -5.425 1.00 0.00 H new ATOM 467 N PHE A 64 -1.994 8.476 -10.292 1.00 0.00 N ATOM 468 CA PHE A 64 -2.619 7.606 -11.325 1.00 0.00 C ATOM 469 C PHE A 64 -4.126 7.851 -11.368 1.00 0.00 C ATOM 470 O PHE A 64 -4.705 8.034 -12.419 1.00 0.00 O ATOM 471 CB PHE A 64 -2.317 6.180 -10.868 1.00 0.00 C ATOM 472 CG PHE A 64 -2.631 5.211 -11.981 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.814 5.162 -13.118 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.735 4.358 -11.875 1.00 0.00 C ATOM 475 CE1 PHE A 64 -2.103 4.260 -14.148 1.00 0.00 C ATOM 476 CE2 PHE A 64 -4.023 3.455 -12.905 1.00 0.00 C ATOM 477 CZ PHE A 64 -3.207 3.406 -14.042 1.00 0.00 C ATOM 0 H PHE A 64 -1.338 8.004 -9.670 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.236 7.802 -12.327 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.268 6.094 -10.583 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.908 5.938 -9.985 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.962 5.820 -13.200 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.365 4.396 -10.999 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.474 4.223 -15.025 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.875 2.796 -12.823 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.429 2.710 -14.837 1.00 0.00 H new ATOM 487 N ASN A 65 -4.765 7.862 -10.231 1.00 0.00 N ATOM 488 CA ASN A 65 -6.231 8.103 -10.216 1.00 0.00 C ATOM 489 C ASN A 65 -6.533 9.448 -10.878 1.00 0.00 C ATOM 490 O ASN A 65 -7.495 9.594 -11.607 1.00 0.00 O ATOM 491 CB ASN A 65 -6.626 8.125 -8.740 1.00 0.00 C ATOM 492 CG ASN A 65 -8.126 8.406 -8.614 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.904 8.217 -9.646 1.00 0.00 O flip ATOM 494 ND2 ASN A 65 -8.594 8.803 -7.566 1.00 0.00 N flip ATOM 0 H ASN A 65 -4.336 7.715 -9.317 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.785 7.339 -10.762 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.384 7.170 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.057 8.890 -8.212 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.987 8.951 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.594 8.989 -7.492 1.00 0.00 H new ATOM 501 N GLU A 66 -5.710 10.430 -10.636 1.00 0.00 N ATOM 502 CA GLU A 66 -5.938 11.763 -11.257 1.00 0.00 C ATOM 503 C GLU A 66 -5.725 11.671 -12.770 1.00 0.00 C ATOM 504 O GLU A 66 -6.488 12.210 -13.546 1.00 0.00 O ATOM 505 CB GLU A 66 -4.897 12.681 -10.616 1.00 0.00 C ATOM 506 CG GLU A 66 -5.287 12.953 -9.163 1.00 0.00 C ATOM 507 CD GLU A 66 -4.477 14.134 -8.627 1.00 0.00 C ATOM 508 OE1 GLU A 66 -3.629 14.624 -9.352 1.00 0.00 O ATOM 509 OE2 GLU A 66 -4.720 14.528 -7.497 1.00 0.00 O ATOM 0 H GLU A 66 -4.889 10.366 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.951 12.133 -11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.911 12.218 -10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.833 13.618 -11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.353 13.170 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.104 12.067 -8.555 1.00 0.00 H new ATOM 516 N VAL A 67 -4.700 10.980 -13.197 1.00 0.00 N ATOM 517 CA VAL A 67 -4.459 10.849 -14.662 1.00 0.00 C ATOM 518 C VAL A 67 -5.541 9.957 -15.280 1.00 0.00 C ATOM 519 O VAL A 67 -6.191 10.327 -16.236 1.00 0.00 O ATOM 520 CB VAL A 67 -3.070 10.211 -14.800 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.778 9.948 -16.278 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.015 11.170 -14.240 1.00 0.00 C ATOM 0 H VAL A 67 -4.025 10.504 -12.599 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.498 11.808 -15.178 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.043 9.271 -14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.792 9.495 -16.379 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.531 9.272 -16.683 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.803 10.889 -16.827 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.027 10.720 -14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.043 12.107 -14.796 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.223 11.366 -13.188 1.00 0.00 H new ATOM 532 N ALA A 68 -5.749 8.791 -14.735 1.00 0.00 N ATOM 533 CA ALA A 68 -6.798 7.889 -15.292 1.00 0.00 C ATOM 534 C ALA A 68 -8.125 8.645 -15.445 1.00 0.00 C ATOM 535 O ALA A 68 -8.837 8.478 -16.414 1.00 0.00 O ATOM 536 CB ALA A 68 -6.941 6.766 -14.264 1.00 0.00 C ATOM 0 H ALA A 68 -5.241 8.424 -13.931 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.532 7.510 -16.279 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.697 6.058 -14.602 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.987 6.252 -14.152 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.241 7.187 -13.304 1.00 0.00 H new ATOM 542 N ALA A 69 -8.461 9.472 -14.491 1.00 0.00 N ATOM 543 CA ALA A 69 -9.742 10.235 -14.577 1.00 0.00 C ATOM 544 C ALA A 69 -9.704 11.220 -15.751 1.00 0.00 C ATOM 545 O ALA A 69 -10.663 11.366 -16.482 1.00 0.00 O ATOM 546 CB ALA A 69 -9.841 10.991 -13.252 1.00 0.00 C ATOM 0 H ALA A 69 -7.904 9.653 -13.656 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.597 9.580 -14.743 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.759 11.578 -13.236 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.851 10.279 -12.427 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.983 11.655 -13.147 1.00 0.00 H new ATOM 552 N GLN A 70 -8.606 11.900 -15.932 1.00 0.00 N ATOM 553 CA GLN A 70 -8.510 12.881 -17.052 1.00 0.00 C ATOM 554 C GLN A 70 -7.983 12.203 -18.322 1.00 0.00 C ATOM 555 O GLN A 70 -7.678 12.857 -19.299 1.00 0.00 O ATOM 556 CB GLN A 70 -7.509 13.934 -16.568 1.00 0.00 C ATOM 557 CG GLN A 70 -8.029 14.615 -15.305 1.00 0.00 C ATOM 558 CD GLN A 70 -9.398 15.220 -15.587 1.00 0.00 C ATOM 559 OE1 GLN A 70 -10.437 14.440 -15.614 1.00 0.00 O flip ATOM 560 NE2 GLN A 70 -9.522 16.411 -15.788 1.00 0.00 N flip ATOM 0 H GLN A 70 -7.770 11.820 -15.353 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.481 13.310 -17.300 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.546 13.465 -16.367 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.345 14.676 -17.349 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.098 13.893 -14.491 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.334 15.391 -14.984 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.704 17.020 -15.766 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.444 16.803 -15.979 1.00 0.00 H new ATOM 569 N TYR A 71 -7.858 10.903 -18.319 1.00 0.00 N ATOM 570 CA TYR A 71 -7.333 10.209 -19.534 1.00 0.00 C ATOM 571 C TYR A 71 -8.181 8.979 -19.883 1.00 0.00 C ATOM 572 O TYR A 71 -7.859 8.237 -20.788 1.00 0.00 O ATOM 573 CB TYR A 71 -5.918 9.777 -19.155 1.00 0.00 C ATOM 574 CG TYR A 71 -4.960 10.929 -19.339 1.00 0.00 C ATOM 575 CD1 TYR A 71 -4.818 11.890 -18.332 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.207 11.030 -20.513 1.00 0.00 C ATOM 577 CE1 TYR A 71 -3.925 12.952 -18.498 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.313 12.091 -20.681 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.171 13.054 -19.674 1.00 0.00 C ATOM 580 OH TYR A 71 -2.287 14.102 -19.839 1.00 0.00 O ATOM 0 H TYR A 71 -8.094 10.294 -17.535 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.357 10.859 -20.408 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.898 9.438 -18.119 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.609 8.934 -19.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.399 11.811 -17.425 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.316 10.288 -21.290 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.816 13.693 -17.720 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -2.731 12.168 -21.588 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.945 14.382 -18.964 1.00 0.00 H new ATOM 590 N SER A 72 -9.251 8.749 -19.175 1.00 0.00 N ATOM 591 CA SER A 72 -10.093 7.556 -19.478 1.00 0.00 C ATOM 592 C SER A 72 -10.780 7.711 -20.839 1.00 0.00 C ATOM 593 O SER A 72 -11.663 8.528 -21.012 1.00 0.00 O ATOM 594 CB SER A 72 -11.132 7.504 -18.359 1.00 0.00 C ATOM 595 OG SER A 72 -11.860 6.287 -18.452 1.00 0.00 O ATOM 0 H SER A 72 -9.579 9.331 -18.404 1.00 0.00 H new ATOM 0 HA SER A 72 -9.499 6.643 -19.528 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.642 7.575 -17.388 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.810 8.354 -18.437 1.00 0.00 H new ATOM 0 HG SER A 72 -12.527 6.249 -17.735 1.00 0.00 H new ATOM 601 N GLU A 73 -10.387 6.922 -21.803 1.00 0.00 N ATOM 602 CA GLU A 73 -11.023 7.010 -23.148 1.00 0.00 C ATOM 603 C GLU A 73 -12.023 5.865 -23.323 1.00 0.00 C ATOM 604 O GLU A 73 -12.589 5.673 -24.381 1.00 0.00 O ATOM 605 CB GLU A 73 -9.871 6.876 -24.145 1.00 0.00 C ATOM 606 CG GLU A 73 -10.377 7.178 -25.559 1.00 0.00 C ATOM 607 CD GLU A 73 -9.435 6.546 -26.586 1.00 0.00 C ATOM 608 OE1 GLU A 73 -9.402 5.329 -26.658 1.00 0.00 O ATOM 609 OE2 GLU A 73 -8.766 7.290 -27.282 1.00 0.00 O ATOM 0 H GLU A 73 -9.652 6.220 -21.716 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.571 7.941 -23.290 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.067 7.563 -23.881 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -9.456 5.869 -24.104 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.386 6.786 -25.687 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.431 8.255 -25.715 1.00 0.00 H new ATOM 616 N ASP A 74 -12.242 5.101 -22.288 1.00 0.00 N ATOM 617 CA ASP A 74 -13.203 3.966 -22.386 1.00 0.00 C ATOM 618 C ASP A 74 -14.145 3.973 -21.180 1.00 0.00 C ATOM 619 O ASP A 74 -14.397 2.953 -20.571 1.00 0.00 O ATOM 620 CB ASP A 74 -12.332 2.707 -22.389 1.00 0.00 C ATOM 621 CG ASP A 74 -13.199 1.486 -22.702 1.00 0.00 C ATOM 622 OD1 ASP A 74 -13.631 1.366 -23.836 1.00 0.00 O ATOM 623 OD2 ASP A 74 -13.415 0.691 -21.802 1.00 0.00 O ATOM 0 H ASP A 74 -11.796 5.214 -21.378 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.828 4.025 -23.277 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.539 2.803 -23.131 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.849 2.584 -21.420 1.00 0.00 H new ATOM 628 N LYS A 75 -14.665 5.119 -20.829 1.00 0.00 N ATOM 629 CA LYS A 75 -15.589 5.188 -19.661 1.00 0.00 C ATOM 630 C LYS A 75 -16.882 4.430 -19.970 1.00 0.00 C ATOM 631 O LYS A 75 -17.486 3.837 -19.097 1.00 0.00 O ATOM 632 CB LYS A 75 -15.862 6.679 -19.447 1.00 0.00 C ATOM 633 CG LYS A 75 -16.749 7.212 -20.573 1.00 0.00 C ATOM 634 CD LYS A 75 -16.875 8.732 -20.443 1.00 0.00 C ATOM 635 CE LYS A 75 -18.321 9.149 -20.716 1.00 0.00 C ATOM 636 NZ LYS A 75 -19.104 8.580 -19.584 1.00 0.00 N ATOM 0 H LYS A 75 -14.490 6.007 -21.299 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.163 4.731 -18.768 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -16.349 6.834 -18.484 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.922 7.230 -19.421 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.322 6.953 -21.542 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.734 6.749 -20.525 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.577 9.048 -19.443 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.204 9.225 -21.147 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.418 10.234 -20.758 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.670 8.761 -21.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.858 9.244 -19.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.527 7.675 -19.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.475 8.423 -18.771 1.00 0.00 H new ATOM 650 N ALA A 76 -17.305 4.426 -21.205 1.00 0.00 N ATOM 651 CA ALA A 76 -18.549 3.684 -21.555 1.00 0.00 C ATOM 652 C ALA A 76 -18.377 2.217 -21.159 1.00 0.00 C ATOM 653 O ALA A 76 -19.280 1.587 -20.644 1.00 0.00 O ATOM 654 CB ALA A 76 -18.685 3.821 -23.072 1.00 0.00 C ATOM 0 H ALA A 76 -16.846 4.901 -21.982 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.432 4.066 -21.043 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.581 3.298 -23.406 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.760 4.876 -23.337 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.810 3.387 -23.556 1.00 0.00 H new ATOM 660 N ARG A 77 -17.210 1.681 -21.383 1.00 0.00 N ATOM 661 CA ARG A 77 -16.949 0.263 -21.010 1.00 0.00 C ATOM 662 C ARG A 77 -16.085 0.220 -19.747 1.00 0.00 C ATOM 663 O ARG A 77 -15.612 -0.823 -19.341 1.00 0.00 O ATOM 664 CB ARG A 77 -16.185 -0.323 -22.199 1.00 0.00 C ATOM 665 CG ARG A 77 -17.141 -0.518 -23.379 1.00 0.00 C ATOM 666 CD ARG A 77 -17.622 -1.971 -23.413 1.00 0.00 C ATOM 667 NE ARG A 77 -16.420 -2.768 -23.777 1.00 0.00 N ATOM 668 CZ ARG A 77 -16.380 -3.411 -24.913 1.00 0.00 C ATOM 669 NH1 ARG A 77 -15.948 -2.812 -25.988 1.00 0.00 N ATOM 670 NH2 ARG A 77 -16.778 -4.653 -24.973 1.00 0.00 N ATOM 0 H ARG A 77 -16.422 2.167 -21.811 1.00 0.00 H new ATOM 0 HA ARG A 77 -17.863 -0.293 -20.802 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.370 0.343 -22.484 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.735 -1.276 -21.921 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.993 0.156 -23.286 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -16.638 -0.269 -24.313 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.020 -2.277 -22.446 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -18.420 -2.105 -24.143 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.626 -2.812 -23.138 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -15.641 -1.840 -25.942 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -15.917 -3.315 -26.875 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -17.120 -5.120 -24.133 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -16.747 -5.156 -25.860 1.00 0.00 H new ATOM 684 N GLN A 78 -15.869 1.352 -19.129 1.00 0.00 N ATOM 685 CA GLN A 78 -15.030 1.382 -17.899 1.00 0.00 C ATOM 686 C GLN A 78 -13.685 0.705 -18.173 1.00 0.00 C ATOM 687 O GLN A 78 -13.182 -0.054 -17.366 1.00 0.00 O ATOM 688 CB GLN A 78 -15.825 0.604 -16.850 1.00 0.00 C ATOM 689 CG GLN A 78 -17.256 1.146 -16.790 1.00 0.00 C ATOM 690 CD GLN A 78 -18.240 0.039 -17.175 1.00 0.00 C ATOM 691 OE1 GLN A 78 -17.886 -1.123 -17.196 1.00 0.00 O ATOM 692 NE2 GLN A 78 -19.468 0.353 -17.483 1.00 0.00 N ATOM 0 H GLN A 78 -16.238 2.256 -19.424 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.816 2.397 -17.566 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -15.837 -0.457 -17.100 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -15.348 0.697 -15.874 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -17.476 1.510 -15.786 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -17.363 1.994 -17.467 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -19.765 1.329 -17.465 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -20.132 -0.377 -17.742 1.00 0.00 H new ATOM 701 N GLY A 79 -13.102 0.973 -19.310 1.00 0.00 N ATOM 702 CA GLY A 79 -11.793 0.347 -19.646 1.00 0.00 C ATOM 703 C GLY A 79 -10.665 1.096 -18.936 1.00 0.00 C ATOM 704 O GLY A 79 -10.328 2.209 -19.286 1.00 0.00 O ATOM 0 H GLY A 79 -13.477 1.600 -20.022 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.792 -0.701 -19.345 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.635 0.369 -20.724 1.00 0.00 H new ATOM 708 N GLY A 80 -10.077 0.489 -17.943 1.00 0.00 N ATOM 709 CA GLY A 80 -8.967 1.158 -17.207 1.00 0.00 C ATOM 710 C GLY A 80 -8.153 0.103 -16.459 1.00 0.00 C ATOM 711 O GLY A 80 -7.233 -0.482 -16.997 1.00 0.00 O ATOM 0 H GLY A 80 -10.318 -0.444 -17.608 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.328 1.701 -17.903 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.368 1.890 -16.506 1.00 0.00 H new ATOM 715 N ASP A 81 -8.488 -0.153 -15.226 1.00 0.00 N ATOM 716 CA ASP A 81 -7.740 -1.177 -14.447 1.00 0.00 C ATOM 717 C ASP A 81 -8.398 -2.547 -14.627 1.00 0.00 C ATOM 718 O ASP A 81 -9.606 -2.661 -14.659 1.00 0.00 O ATOM 719 CB ASP A 81 -7.844 -0.722 -12.990 1.00 0.00 C ATOM 720 CG ASP A 81 -7.051 0.572 -12.799 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.402 0.991 -13.743 1.00 0.00 O ATOM 722 OD2 ASP A 81 -7.108 1.123 -11.713 1.00 0.00 O ATOM 0 H ASP A 81 -9.249 0.304 -14.723 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.703 -1.271 -14.770 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.888 -0.563 -12.722 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.459 -1.498 -12.328 1.00 0.00 H new ATOM 727 N LEU A 82 -7.618 -3.587 -14.744 1.00 0.00 N ATOM 728 CA LEU A 82 -8.219 -4.941 -14.919 1.00 0.00 C ATOM 729 C LEU A 82 -7.702 -5.895 -13.837 1.00 0.00 C ATOM 730 O LEU A 82 -6.799 -5.573 -13.089 1.00 0.00 O ATOM 731 CB LEU A 82 -7.795 -5.397 -16.317 1.00 0.00 C ATOM 732 CG LEU A 82 -6.273 -5.499 -16.398 1.00 0.00 C ATOM 733 CD1 LEU A 82 -5.878 -6.939 -16.728 1.00 0.00 C ATOM 734 CD2 LEU A 82 -5.761 -4.565 -17.499 1.00 0.00 C ATOM 0 H LEU A 82 -6.599 -3.559 -14.726 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.305 -4.927 -14.823 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.244 -6.364 -16.544 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.160 -4.692 -17.064 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.835 -5.211 -15.442 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.792 -7.014 -16.786 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.246 -7.605 -15.948 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.313 -7.225 -17.685 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.675 -4.635 -17.560 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.197 -4.856 -18.455 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.046 -3.539 -17.267 1.00 0.00 H new ATOM 746 N GLY A 83 -8.290 -7.056 -13.727 1.00 0.00 N ATOM 747 CA GLY A 83 -7.860 -8.016 -12.672 1.00 0.00 C ATOM 748 C GLY A 83 -6.622 -8.809 -13.106 1.00 0.00 C ATOM 749 O GLY A 83 -5.577 -8.250 -13.403 1.00 0.00 O ATOM 0 H GLY A 83 -9.051 -7.381 -14.324 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.642 -7.474 -11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.675 -8.705 -12.451 1.00 0.00 H new ATOM 753 N TRP A 84 -6.734 -10.115 -13.107 1.00 0.00 N ATOM 754 CA TRP A 84 -5.576 -10.980 -13.477 1.00 0.00 C ATOM 755 C TRP A 84 -5.623 -11.409 -14.947 1.00 0.00 C ATOM 756 O TRP A 84 -6.670 -11.670 -15.504 1.00 0.00 O ATOM 757 CB TRP A 84 -5.720 -12.219 -12.590 1.00 0.00 C ATOM 758 CG TRP A 84 -5.282 -11.910 -11.195 1.00 0.00 C ATOM 759 CD1 TRP A 84 -4.003 -11.942 -10.756 1.00 0.00 C ATOM 760 CD2 TRP A 84 -6.099 -11.534 -10.050 1.00 0.00 C ATOM 761 NE1 TRP A 84 -3.983 -11.607 -9.414 1.00 0.00 N ATOM 762 CE2 TRP A 84 -5.252 -11.344 -8.934 1.00 0.00 C ATOM 763 CE3 TRP A 84 -7.482 -11.337 -9.875 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -5.757 -10.976 -7.686 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -7.993 -10.966 -8.622 1.00 0.00 C ATOM 766 CH2 TRP A 84 -7.132 -10.785 -7.529 1.00 0.00 C ATOM 0 H TRP A 84 -7.586 -10.621 -12.865 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.635 -10.448 -13.339 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.757 -12.554 -12.587 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.122 -13.036 -12.994 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -3.139 -12.189 -11.355 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.136 -11.560 -8.848 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -8.153 -11.472 -10.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.090 -10.840 -6.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -9.056 -10.819 -8.498 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.532 -10.498 -6.568 1.00 0.00 H new ATOM 777 N MET A 85 -4.476 -11.515 -15.561 1.00 0.00 N ATOM 778 CA MET A 85 -4.400 -11.965 -16.981 1.00 0.00 C ATOM 779 C MET A 85 -3.194 -12.902 -17.114 1.00 0.00 C ATOM 780 O MET A 85 -2.272 -12.831 -16.328 1.00 0.00 O ATOM 781 CB MET A 85 -4.205 -10.692 -17.809 1.00 0.00 C ATOM 782 CG MET A 85 -2.862 -10.051 -17.464 1.00 0.00 C ATOM 783 SD MET A 85 -2.638 -8.555 -18.460 1.00 0.00 S ATOM 784 CE MET A 85 -2.846 -9.326 -20.085 1.00 0.00 C ATOM 0 H MET A 85 -3.574 -11.306 -15.132 1.00 0.00 H new ATOM 0 HA MET A 85 -5.288 -12.502 -17.315 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.243 -10.929 -18.872 1.00 0.00 H new ATOM 0 HB3 MET A 85 -5.015 -9.990 -17.610 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.826 -9.804 -16.403 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.051 -10.754 -17.655 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.231 -8.803 -20.817 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.540 -10.371 -20.034 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.893 -9.269 -20.384 1.00 0.00 H new ATOM 794 N THR A 86 -3.179 -13.783 -18.076 1.00 0.00 N ATOM 795 CA THR A 86 -2.013 -14.698 -18.189 1.00 0.00 C ATOM 796 C THR A 86 -1.476 -14.697 -19.615 1.00 0.00 C ATOM 797 O THR A 86 -0.419 -14.172 -19.891 1.00 0.00 O ATOM 798 CB THR A 86 -2.551 -16.083 -17.818 1.00 0.00 C ATOM 799 OG1 THR A 86 -3.427 -16.540 -18.837 1.00 0.00 O ATOM 800 CG2 THR A 86 -3.307 -16.000 -16.492 1.00 0.00 C ATOM 0 H THR A 86 -3.910 -13.907 -18.776 1.00 0.00 H new ATOM 0 HA THR A 86 -1.191 -14.395 -17.541 1.00 0.00 H new ATOM 0 HB THR A 86 -1.719 -16.780 -17.717 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.014 -17.292 -19.311 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.689 -16.986 -16.229 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.632 -15.652 -15.710 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.139 -15.303 -16.591 1.00 0.00 H new ATOM 808 N ARG A 87 -2.184 -15.307 -20.517 1.00 0.00 N ATOM 809 CA ARG A 87 -1.693 -15.355 -21.915 1.00 0.00 C ATOM 810 C ARG A 87 -2.638 -14.623 -22.869 1.00 0.00 C ATOM 811 O ARG A 87 -3.843 -14.770 -22.807 1.00 0.00 O ATOM 812 CB ARG A 87 -1.652 -16.839 -22.252 1.00 0.00 C ATOM 813 CG ARG A 87 -0.914 -17.004 -23.569 1.00 0.00 C ATOM 814 CD ARG A 87 -0.710 -18.492 -23.864 1.00 0.00 C ATOM 815 NE ARG A 87 -1.551 -18.767 -25.062 1.00 0.00 N ATOM 816 CZ ARG A 87 -1.077 -18.558 -26.261 1.00 0.00 C ATOM 817 NH1 ARG A 87 0.176 -18.808 -26.524 1.00 0.00 N ATOM 818 NH2 ARG A 87 -1.858 -18.100 -27.202 1.00 0.00 N ATOM 0 H ARG A 87 -3.076 -15.772 -20.348 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.724 -14.867 -22.018 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.148 -17.395 -21.461 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.663 -17.240 -22.329 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.481 -16.538 -24.375 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.050 -16.497 -23.523 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.339 -18.715 -24.059 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.015 -19.107 -23.018 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.501 -19.120 -24.946 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.789 -19.168 -25.792 1.00 0.00 H new ATOM 0 HH12 ARG A 87 0.543 -18.644 -27.461 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.839 -17.905 -27.001 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.487 -17.937 -28.138 1.00 0.00 H new ATOM 832 N GLY A 88 -2.091 -13.848 -23.770 1.00 0.00 N ATOM 833 CA GLY A 88 -2.937 -13.115 -24.753 1.00 0.00 C ATOM 834 C GLY A 88 -3.932 -12.206 -24.032 1.00 0.00 C ATOM 835 O GLY A 88 -4.442 -12.531 -22.979 1.00 0.00 O ATOM 0 H GLY A 88 -1.088 -13.692 -23.866 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.305 -12.521 -25.413 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.474 -13.826 -25.381 1.00 0.00 H new ATOM 839 N SER A 89 -4.213 -11.065 -24.601 1.00 0.00 N ATOM 840 CA SER A 89 -5.176 -10.123 -23.967 1.00 0.00 C ATOM 841 C SER A 89 -6.027 -9.440 -25.042 1.00 0.00 C ATOM 842 O SER A 89 -7.221 -9.649 -25.128 1.00 0.00 O ATOM 843 CB SER A 89 -4.306 -9.100 -23.237 1.00 0.00 C ATOM 844 OG SER A 89 -3.722 -8.218 -24.185 1.00 0.00 O ATOM 0 H SER A 89 -3.814 -10.744 -25.483 1.00 0.00 H new ATOM 0 HA SER A 89 -5.865 -10.626 -23.289 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.908 -8.538 -22.523 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.527 -9.608 -22.668 1.00 0.00 H new ATOM 0 HG SER A 89 -3.860 -7.291 -23.898 1.00 0.00 H new ATOM 850 N MET A 90 -5.421 -8.627 -25.865 1.00 0.00 N ATOM 851 CA MET A 90 -6.192 -7.934 -26.937 1.00 0.00 C ATOM 852 C MET A 90 -5.361 -7.850 -28.222 1.00 0.00 C ATOM 853 O MET A 90 -5.870 -8.017 -29.312 1.00 0.00 O ATOM 854 CB MET A 90 -6.473 -6.534 -26.384 1.00 0.00 C ATOM 855 CG MET A 90 -5.157 -5.770 -26.225 1.00 0.00 C ATOM 856 SD MET A 90 -5.408 -4.360 -25.117 1.00 0.00 S ATOM 857 CE MET A 90 -6.419 -3.365 -26.242 1.00 0.00 C ATOM 0 H MET A 90 -4.424 -8.413 -25.841 1.00 0.00 H new ATOM 0 HA MET A 90 -7.111 -8.463 -27.190 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.140 -5.994 -27.056 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.981 -6.607 -25.422 1.00 0.00 H new ATOM 0 HG2 MET A 90 -4.388 -6.429 -25.823 1.00 0.00 H new ATOM 0 HG3 MET A 90 -4.805 -5.424 -27.197 1.00 0.00 H new ATOM 0 HE1 MET A 90 -6.500 -2.349 -25.856 1.00 0.00 H new ATOM 0 HE2 MET A 90 -5.953 -3.343 -27.227 1.00 0.00 H new ATOM 0 HE3 MET A 90 -7.414 -3.804 -26.322 1.00 0.00 H new ATOM 867 N VAL A 91 -4.086 -7.592 -28.104 1.00 0.00 N ATOM 868 CA VAL A 91 -3.225 -7.497 -29.320 1.00 0.00 C ATOM 869 C VAL A 91 -1.776 -7.858 -28.969 1.00 0.00 C ATOM 870 O VAL A 91 -1.370 -7.777 -27.826 1.00 0.00 O ATOM 871 CB VAL A 91 -3.333 -6.034 -29.760 1.00 0.00 C ATOM 872 CG1 VAL A 91 -2.596 -5.834 -31.086 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.807 -5.667 -29.947 1.00 0.00 C ATOM 0 H VAL A 91 -3.603 -7.443 -27.218 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.535 -8.182 -30.109 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.886 -5.398 -28.996 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.677 -4.791 -31.393 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.545 -6.095 -30.961 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.040 -6.473 -31.849 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.886 -4.626 -30.260 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.248 -6.310 -30.709 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.338 -5.804 -29.005 1.00 0.00 H new ATOM 883 N GLY A 92 -1.000 -8.261 -29.944 1.00 0.00 N ATOM 884 CA GLY A 92 0.424 -8.636 -29.680 1.00 0.00 C ATOM 885 C GLY A 92 1.033 -7.697 -28.638 1.00 0.00 C ATOM 886 O GLY A 92 1.445 -8.128 -27.581 1.00 0.00 O ATOM 0 H GLY A 92 -1.293 -8.347 -30.917 1.00 0.00 H new ATOM 0 HA2 GLY A 92 0.477 -9.666 -29.327 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.998 -8.586 -30.605 1.00 0.00 H new ATOM 890 N PRO A 93 1.062 -6.435 -28.967 1.00 0.00 N ATOM 891 CA PRO A 93 1.622 -5.421 -28.039 1.00 0.00 C ATOM 892 C PRO A 93 0.785 -5.353 -26.756 1.00 0.00 C ATOM 893 O PRO A 93 -0.125 -6.130 -26.564 1.00 0.00 O ATOM 894 CB PRO A 93 1.541 -4.121 -28.844 1.00 0.00 C ATOM 895 CG PRO A 93 0.466 -4.373 -29.850 1.00 0.00 C ATOM 896 CD PRO A 93 0.577 -5.830 -30.209 1.00 0.00 C ATOM 0 HA PRO A 93 2.638 -5.640 -27.712 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.296 -3.273 -28.205 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.491 -3.893 -29.327 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.517 -4.145 -29.438 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.597 -3.742 -30.729 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.384 -6.246 -30.513 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.270 -5.991 -31.035 1.00 0.00 H new ATOM 904 N PHE A 94 1.103 -4.440 -25.877 1.00 0.00 N ATOM 905 CA PHE A 94 0.346 -4.317 -24.592 1.00 0.00 C ATOM 906 C PHE A 94 0.614 -5.531 -23.693 1.00 0.00 C ATOM 907 O PHE A 94 1.383 -5.456 -22.757 1.00 0.00 O ATOM 908 CB PHE A 94 -1.135 -4.239 -24.975 1.00 0.00 C ATOM 909 CG PHE A 94 -1.943 -3.911 -23.743 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.087 -2.580 -23.332 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.543 -4.939 -23.007 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.832 -2.278 -22.186 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.287 -4.637 -21.861 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.432 -3.306 -21.451 1.00 0.00 C ATOM 0 H PHE A 94 1.861 -3.767 -25.993 1.00 0.00 H new ATOM 0 HA PHE A 94 0.653 -3.434 -24.031 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.287 -3.477 -25.739 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.465 -5.187 -25.400 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.623 -1.787 -23.899 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.432 -5.966 -23.324 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.944 -1.252 -21.869 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.749 -5.431 -21.293 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.007 -3.073 -20.567 1.00 0.00 H new ATOM 924 N GLN A 95 -0.009 -6.647 -23.963 1.00 0.00 N ATOM 925 CA GLN A 95 0.231 -7.846 -23.109 1.00 0.00 C ATOM 926 C GLN A 95 1.674 -8.324 -23.280 1.00 0.00 C ATOM 927 O GLN A 95 2.373 -8.570 -22.318 1.00 0.00 O ATOM 928 CB GLN A 95 -0.753 -8.907 -23.601 1.00 0.00 C ATOM 929 CG GLN A 95 -0.591 -10.177 -22.760 1.00 0.00 C ATOM 930 CD GLN A 95 0.438 -11.099 -23.421 1.00 0.00 C ATOM 931 OE1 GLN A 95 0.900 -10.831 -24.510 1.00 0.00 O ATOM 932 NE2 GLN A 95 0.820 -12.183 -22.800 1.00 0.00 N ATOM 0 H GLN A 95 -0.668 -6.780 -24.730 1.00 0.00 H new ATOM 0 HA GLN A 95 0.085 -7.633 -22.050 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.775 -8.535 -23.525 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.571 -9.128 -24.653 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.269 -9.919 -21.751 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -1.548 -10.690 -22.668 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.432 -12.410 -21.884 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.506 -12.803 -23.231 1.00 0.00 H new ATOM 941 N GLU A 96 2.132 -8.448 -24.498 1.00 0.00 N ATOM 942 CA GLU A 96 3.536 -8.897 -24.712 1.00 0.00 C ATOM 943 C GLU A 96 4.491 -7.882 -24.083 1.00 0.00 C ATOM 944 O GLU A 96 5.488 -8.239 -23.487 1.00 0.00 O ATOM 945 CB GLU A 96 3.714 -8.957 -26.228 1.00 0.00 C ATOM 946 CG GLU A 96 2.954 -10.167 -26.780 1.00 0.00 C ATOM 947 CD GLU A 96 3.364 -10.411 -28.232 1.00 0.00 C ATOM 948 OE1 GLU A 96 4.105 -9.600 -28.764 1.00 0.00 O ATOM 949 OE2 GLU A 96 2.930 -11.405 -28.791 1.00 0.00 O ATOM 0 H GLU A 96 1.598 -8.259 -25.347 1.00 0.00 H new ATOM 0 HA GLU A 96 3.746 -9.864 -24.255 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.343 -8.040 -26.686 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.772 -9.032 -26.479 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.169 -11.050 -26.178 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.880 -9.993 -26.719 1.00 0.00 H new ATOM 956 N ALA A 97 4.181 -6.618 -24.195 1.00 0.00 N ATOM 957 CA ALA A 97 5.059 -5.582 -23.580 1.00 0.00 C ATOM 958 C ALA A 97 4.909 -5.641 -22.060 1.00 0.00 C ATOM 959 O ALA A 97 5.854 -5.440 -21.321 1.00 0.00 O ATOM 960 CB ALA A 97 4.551 -4.246 -24.122 1.00 0.00 C ATOM 0 H ALA A 97 3.361 -6.259 -24.684 1.00 0.00 H new ATOM 0 HA ALA A 97 6.113 -5.727 -23.815 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.152 -3.435 -23.711 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.629 -4.241 -25.209 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.509 -4.109 -23.833 1.00 0.00 H new ATOM 966 N ALA A 98 3.726 -5.934 -21.589 1.00 0.00 N ATOM 967 CA ALA A 98 3.511 -6.029 -20.117 1.00 0.00 C ATOM 968 C ALA A 98 4.453 -7.089 -19.541 1.00 0.00 C ATOM 969 O ALA A 98 5.128 -6.868 -18.556 1.00 0.00 O ATOM 970 CB ALA A 98 2.054 -6.461 -19.957 1.00 0.00 C ATOM 0 H ALA A 98 2.900 -6.111 -22.160 1.00 0.00 H new ATOM 0 HA ALA A 98 3.710 -5.092 -19.597 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.816 -6.554 -18.897 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.401 -5.715 -20.411 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.904 -7.422 -20.448 1.00 0.00 H new ATOM 976 N PHE A 99 4.506 -8.237 -20.164 1.00 0.00 N ATOM 977 CA PHE A 99 5.411 -9.317 -19.673 1.00 0.00 C ATOM 978 C PHE A 99 6.866 -8.915 -19.916 1.00 0.00 C ATOM 979 O PHE A 99 7.775 -9.423 -19.291 1.00 0.00 O ATOM 980 CB PHE A 99 5.066 -10.542 -20.522 1.00 0.00 C ATOM 981 CG PHE A 99 3.861 -11.253 -19.954 1.00 0.00 C ATOM 982 CD1 PHE A 99 2.602 -10.640 -19.986 1.00 0.00 C ATOM 983 CD2 PHE A 99 4.000 -12.535 -19.408 1.00 0.00 C ATOM 984 CE1 PHE A 99 1.485 -11.308 -19.471 1.00 0.00 C ATOM 985 CE2 PHE A 99 2.883 -13.204 -18.896 1.00 0.00 C ATOM 986 CZ PHE A 99 1.625 -12.590 -18.926 1.00 0.00 C ATOM 0 H PHE A 99 3.961 -8.473 -20.993 1.00 0.00 H new ATOM 0 HA PHE A 99 5.289 -9.507 -18.607 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.865 -10.236 -21.549 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.917 -11.223 -20.553 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.493 -9.652 -20.408 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.971 -13.008 -19.382 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.515 -10.834 -19.494 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.991 -14.194 -18.478 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.763 -13.105 -18.529 1.00 0.00 H new ATOM 996 N ALA A 100 7.089 -8.013 -20.831 1.00 0.00 N ATOM 997 CA ALA A 100 8.482 -7.580 -21.132 1.00 0.00 C ATOM 998 C ALA A 100 8.909 -6.454 -20.186 1.00 0.00 C ATOM 999 O ALA A 100 10.071 -6.111 -20.104 1.00 0.00 O ATOM 1000 CB ALA A 100 8.433 -7.079 -22.576 1.00 0.00 C ATOM 0 H ALA A 100 6.364 -7.556 -21.385 1.00 0.00 H new ATOM 0 HA ALA A 100 9.202 -8.388 -21.002 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.424 -6.740 -22.877 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.112 -7.889 -23.231 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.728 -6.251 -22.650 1.00 0.00 H new ATOM 1006 N LEU A 101 7.981 -5.876 -19.475 1.00 0.00 N ATOM 1007 CA LEU A 101 8.344 -4.774 -18.539 1.00 0.00 C ATOM 1008 C LEU A 101 9.521 -5.190 -17.643 1.00 0.00 C ATOM 1009 O LEU A 101 10.453 -4.430 -17.469 1.00 0.00 O ATOM 1010 CB LEU A 101 7.082 -4.511 -17.712 1.00 0.00 C ATOM 1011 CG LEU A 101 7.333 -3.352 -16.745 1.00 0.00 C ATOM 1012 CD1 LEU A 101 6.037 -2.567 -16.546 1.00 0.00 C ATOM 1013 CD2 LEU A 101 7.805 -3.905 -15.398 1.00 0.00 C ATOM 0 H LEU A 101 6.990 -6.117 -19.501 1.00 0.00 H new ATOM 0 HA LEU A 101 8.666 -3.878 -19.069 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.247 -4.274 -18.371 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.806 -5.407 -17.157 1.00 0.00 H new ATOM 0 HG LEU A 101 8.098 -2.694 -17.156 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.214 -1.741 -15.857 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.699 -2.174 -17.505 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.272 -3.225 -16.134 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.984 -3.080 -14.709 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.039 -4.562 -14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.728 -4.467 -15.539 1.00 0.00 H new ATOM 1138 N VAL A 110 6.333 -1.921 -11.236 1.00 0.00 N ATOM 1139 CA VAL A 110 6.548 -0.546 -11.767 1.00 0.00 C ATOM 1140 C VAL A 110 5.595 -0.236 -12.931 1.00 0.00 C ATOM 1141 O VAL A 110 4.627 -0.939 -13.170 1.00 0.00 O ATOM 1142 CB VAL A 110 8.014 -0.538 -12.225 1.00 0.00 C ATOM 1143 CG1 VAL A 110 8.128 -1.091 -13.648 1.00 0.00 C ATOM 1144 CG2 VAL A 110 8.552 0.895 -12.187 1.00 0.00 C ATOM 0 HA VAL A 110 6.345 0.220 -11.019 1.00 0.00 H new ATOM 0 HB VAL A 110 8.599 -1.168 -11.554 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.172 -1.080 -13.960 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.753 -2.114 -13.672 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.540 -0.473 -14.327 1.00 0.00 H new ATOM 0 HG21 VAL A 110 9.592 0.902 -12.512 1.00 0.00 H new ATOM 0 HG22 VAL A 110 7.960 1.524 -12.852 1.00 0.00 H new ATOM 0 HG23 VAL A 110 8.487 1.281 -11.170 1.00 0.00 H new ATOM 1154 N PHE A 111 5.866 0.827 -13.642 1.00 0.00 N ATOM 1155 CA PHE A 111 4.997 1.230 -14.784 1.00 0.00 C ATOM 1156 C PHE A 111 5.764 1.113 -16.107 1.00 0.00 C ATOM 1157 O PHE A 111 6.976 1.200 -16.143 1.00 0.00 O ATOM 1158 CB PHE A 111 4.654 2.688 -14.482 1.00 0.00 C ATOM 1159 CG PHE A 111 4.124 3.373 -15.715 1.00 0.00 C ATOM 1160 CD1 PHE A 111 3.078 2.799 -16.442 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.676 4.592 -16.124 1.00 0.00 C ATOM 1162 CE1 PHE A 111 2.581 3.445 -17.578 1.00 0.00 C ATOM 1163 CE2 PHE A 111 4.181 5.238 -17.262 1.00 0.00 C ATOM 1164 CZ PHE A 111 3.134 4.663 -17.988 1.00 0.00 C ATOM 0 H PHE A 111 6.664 1.440 -13.476 1.00 0.00 H new ATOM 0 HA PHE A 111 4.111 0.603 -14.888 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.912 2.735 -13.685 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.541 3.209 -14.122 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.654 1.857 -16.127 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.485 5.034 -15.561 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.770 3.004 -18.139 1.00 0.00 H new ATOM 0 HE2 PHE A 111 4.607 6.179 -17.579 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.751 5.160 -18.867 1.00 0.00 H new ATOM 1174 N THR A 112 5.065 0.913 -17.191 1.00 0.00 N ATOM 1175 CA THR A 112 5.746 0.785 -18.515 1.00 0.00 C ATOM 1176 C THR A 112 6.265 2.144 -18.991 1.00 0.00 C ATOM 1177 O THR A 112 5.508 3.075 -19.188 1.00 0.00 O ATOM 1178 CB THR A 112 4.668 0.266 -19.469 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.560 1.163 -19.474 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.211 -1.121 -19.016 1.00 0.00 C ATOM 0 H THR A 112 4.049 0.832 -17.219 1.00 0.00 H new ATOM 0 HA THR A 112 6.608 0.119 -18.464 1.00 0.00 H new ATOM 0 HB THR A 112 5.077 0.199 -20.477 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.866 2.063 -19.235 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.443 -1.491 -19.695 1.00 0.00 H new ATOM 0 HG22 THR A 112 5.060 -1.804 -19.022 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.803 -1.058 -18.007 1.00 0.00 H new ATOM 1188 N ASP A 113 7.550 2.266 -19.182 1.00 0.00 N ATOM 1189 CA ASP A 113 8.115 3.565 -19.650 1.00 0.00 C ATOM 1190 C ASP A 113 9.109 3.330 -20.799 1.00 0.00 C ATOM 1191 O ASP A 113 10.077 2.617 -20.627 1.00 0.00 O ATOM 1192 CB ASP A 113 8.842 4.136 -18.432 1.00 0.00 C ATOM 1193 CG ASP A 113 7.824 4.497 -17.349 1.00 0.00 C ATOM 1194 OD1 ASP A 113 6.725 4.893 -17.704 1.00 0.00 O ATOM 1195 OD2 ASP A 113 8.159 4.372 -16.182 1.00 0.00 O ATOM 0 H ASP A 113 8.233 1.523 -19.035 1.00 0.00 H new ATOM 0 HA ASP A 113 7.345 4.239 -20.026 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.555 3.407 -18.047 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.413 5.020 -18.718 1.00 0.00 H new ATOM 1200 N PRO A 114 8.853 3.935 -21.938 1.00 0.00 N ATOM 1201 CA PRO A 114 7.662 4.801 -22.123 1.00 0.00 C ATOM 1202 C PRO A 114 6.410 3.946 -22.352 1.00 0.00 C ATOM 1203 O PRO A 114 6.497 2.739 -22.472 1.00 0.00 O ATOM 1204 CB PRO A 114 7.997 5.608 -23.373 1.00 0.00 C ATOM 1205 CG PRO A 114 8.977 4.772 -24.137 1.00 0.00 C ATOM 1206 CD PRO A 114 9.668 3.858 -23.155 1.00 0.00 C ATOM 0 HA PRO A 114 7.451 5.429 -21.257 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.103 5.804 -23.965 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.426 6.576 -23.112 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.466 4.191 -24.905 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.704 5.405 -24.646 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.720 2.837 -23.533 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.692 4.180 -22.967 1.00 0.00 H new ATOM 1214 N PRO A 115 5.284 4.607 -22.417 1.00 0.00 N ATOM 1215 CA PRO A 115 3.997 3.902 -22.646 1.00 0.00 C ATOM 1216 C PRO A 115 3.935 3.384 -24.084 1.00 0.00 C ATOM 1217 O PRO A 115 4.818 3.635 -24.879 1.00 0.00 O ATOM 1218 CB PRO A 115 2.949 4.985 -22.408 1.00 0.00 C ATOM 1219 CG PRO A 115 3.662 6.273 -22.667 1.00 0.00 C ATOM 1220 CD PRO A 115 5.103 6.056 -22.285 1.00 0.00 C ATOM 0 HA PRO A 115 3.854 3.035 -22.001 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.097 4.864 -23.077 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.563 4.945 -21.389 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.579 6.557 -23.716 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.224 7.082 -22.082 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.778 6.605 -22.941 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.303 6.393 -21.268 1.00 0.00 H new ATOM 1228 N VAL A 116 2.902 2.665 -24.428 1.00 0.00 N ATOM 1229 CA VAL A 116 2.805 2.143 -25.822 1.00 0.00 C ATOM 1230 C VAL A 116 1.807 2.974 -26.631 1.00 0.00 C ATOM 1231 O VAL A 116 0.914 3.592 -26.088 1.00 0.00 O ATOM 1232 CB VAL A 116 2.322 0.699 -25.685 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.323 -0.100 -24.850 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.956 0.677 -24.999 1.00 0.00 C ATOM 0 H VAL A 116 2.128 2.418 -23.812 1.00 0.00 H new ATOM 0 HA VAL A 116 3.759 2.197 -26.346 1.00 0.00 H new ATOM 0 HB VAL A 116 2.238 0.253 -26.676 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.977 -1.129 -24.754 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.296 -0.089 -25.340 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.410 0.348 -23.860 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.614 -0.353 -24.903 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.039 1.126 -24.009 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.240 1.243 -25.595 1.00 0.00 H new ATOM 1244 N LYS A 117 1.954 2.989 -27.926 1.00 0.00 N ATOM 1245 CA LYS A 117 1.017 3.775 -28.776 1.00 0.00 C ATOM 1246 C LYS A 117 0.360 2.857 -29.805 1.00 0.00 C ATOM 1247 O LYS A 117 1.012 2.032 -30.416 1.00 0.00 O ATOM 1248 CB LYS A 117 1.890 4.819 -29.473 1.00 0.00 C ATOM 1249 CG LYS A 117 2.400 5.829 -28.444 1.00 0.00 C ATOM 1250 CD LYS A 117 3.816 6.267 -28.821 1.00 0.00 C ATOM 1251 CE LYS A 117 3.742 7.491 -29.737 1.00 0.00 C ATOM 1252 NZ LYS A 117 5.145 7.723 -30.179 1.00 0.00 N ATOM 0 H LYS A 117 2.684 2.490 -28.434 1.00 0.00 H new ATOM 0 HA LYS A 117 0.218 4.238 -28.196 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.731 4.333 -29.968 1.00 0.00 H new ATOM 0 HB3 LYS A 117 1.316 5.330 -30.246 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.738 6.694 -28.408 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.398 5.384 -27.449 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.386 6.505 -27.923 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.338 5.453 -29.324 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.085 7.309 -30.587 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.346 8.358 -29.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 5.178 8.548 -30.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 5.746 7.900 -29.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.493 6.884 -30.686 1.00 0.00 H new ATOM 1266 N THR A 118 -0.919 2.984 -30.004 1.00 0.00 N ATOM 1267 CA THR A 118 -1.601 2.105 -30.994 1.00 0.00 C ATOM 1268 C THR A 118 -2.620 2.900 -31.808 1.00 0.00 C ATOM 1269 O THR A 118 -2.956 4.021 -31.480 1.00 0.00 O ATOM 1270 CB THR A 118 -2.308 1.044 -30.154 1.00 0.00 C ATOM 1271 OG1 THR A 118 -3.367 1.649 -29.424 1.00 0.00 O ATOM 1272 CG2 THR A 118 -1.312 0.405 -29.184 1.00 0.00 C ATOM 0 H THR A 118 -1.521 3.655 -29.527 1.00 0.00 H new ATOM 0 HA THR A 118 -0.899 1.671 -31.706 1.00 0.00 H new ATOM 0 HB THR A 118 -2.713 0.273 -30.809 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.213 1.208 -29.649 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.820 -0.352 -28.586 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.503 -0.061 -29.747 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.902 1.171 -28.526 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.118 2.323 -32.867 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.119 3.041 -33.702 1.00 0.00 C ATOM 1282 C LYS A 119 -5.400 3.276 -32.898 1.00 0.00 C ATOM 1283 O LYS A 119 -6.216 4.105 -33.249 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.388 2.117 -34.889 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.266 2.266 -35.919 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.368 3.636 -36.595 1.00 0.00 C ATOM 1287 CE LYS A 119 -3.134 3.482 -38.100 1.00 0.00 C ATOM 1288 NZ LYS A 119 -1.737 2.980 -38.222 1.00 0.00 N ATOM 0 H LYS A 119 -2.875 1.386 -33.189 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.763 4.019 -34.026 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.450 1.083 -34.551 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.348 2.362 -35.344 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.296 2.160 -35.433 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.336 1.475 -36.665 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.350 4.071 -36.412 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.632 4.319 -36.170 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.845 2.783 -38.541 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.259 4.433 -38.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.366 3.211 -39.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.142 3.429 -37.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.726 1.949 -38.088 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.585 2.565 -31.815 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.822 2.783 -31.007 1.00 0.00 C ATOM 1304 C PHE A 120 -6.533 3.723 -29.833 1.00 0.00 C ATOM 1305 O PHE A 120 -7.277 3.780 -28.875 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.298 1.408 -30.504 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.142 0.458 -30.278 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.668 -0.334 -31.332 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.563 0.349 -29.008 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.613 -1.230 -31.116 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.511 -0.551 -28.791 1.00 0.00 C ATOM 1312 CZ PHE A 120 -4.036 -1.339 -29.845 1.00 0.00 C ATOM 0 H PHE A 120 -4.945 1.855 -31.460 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.599 3.250 -31.613 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.852 1.534 -29.574 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.987 0.975 -31.229 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.116 -0.254 -32.311 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.927 0.959 -28.195 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.245 -1.837 -31.930 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.067 -0.636 -27.810 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.224 -2.031 -29.678 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.470 4.479 -29.910 1.00 0.00 N ATOM 1323 CA GLY A 121 -5.157 5.432 -28.806 1.00 0.00 C ATOM 1324 C GLY A 121 -3.819 5.081 -28.151 1.00 0.00 C ATOM 1325 O GLY A 121 -3.142 4.153 -28.544 1.00 0.00 O ATOM 0 H GLY A 121 -4.808 4.478 -30.686 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.121 6.449 -29.196 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.951 5.405 -28.060 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.460 5.806 -27.126 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.194 5.514 -26.398 1.00 0.00 C ATOM 1331 C TYR A 122 -2.547 4.680 -25.165 1.00 0.00 C ATOM 1332 O TYR A 122 -3.683 4.671 -24.731 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.624 6.882 -26.003 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.270 7.684 -27.240 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -0.942 7.031 -28.435 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -1.256 9.087 -27.186 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -0.602 7.775 -29.572 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -0.914 9.828 -28.325 1.00 0.00 C ATOM 1339 CZ TYR A 122 -0.587 9.172 -29.516 1.00 0.00 C ATOM 1340 OH TYR A 122 -0.247 9.903 -30.636 1.00 0.00 O ATOM 0 H TYR A 122 -3.994 6.594 -26.760 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.466 4.957 -26.988 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.353 7.428 -25.404 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.738 6.748 -25.382 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -0.951 5.952 -28.480 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -1.509 9.595 -26.267 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.351 7.269 -30.493 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.903 10.907 -28.283 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.505 9.407 -31.441 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.619 3.955 -24.602 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.986 3.120 -23.422 1.00 0.00 C ATOM 1352 C HIS A 123 -0.922 3.169 -22.322 1.00 0.00 C ATOM 1353 O HIS A 123 0.270 3.144 -22.575 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.121 1.704 -23.978 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.103 1.710 -25.116 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.459 1.500 -24.921 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.944 1.906 -26.465 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.058 1.575 -26.123 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.180 1.821 -27.099 1.00 0.00 N ATOM 0 H HIS A 123 -0.644 3.904 -24.899 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.902 3.480 -22.953 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.152 1.341 -24.320 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.458 1.024 -23.195 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.003 2.097 -26.959 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.119 1.451 -26.280 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.374 1.924 -28.095 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.370 3.220 -21.097 1.00 0.00 N ATOM 1368 CA ILE A 124 -0.445 3.254 -19.927 1.00 0.00 C ATOM 1369 C ILE A 124 -0.776 2.074 -19.009 1.00 0.00 C ATOM 1370 O ILE A 124 -1.851 2.015 -18.452 1.00 0.00 O ATOM 1371 CB ILE A 124 -0.772 4.576 -19.232 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -0.330 5.744 -20.114 1.00 0.00 C ATOM 1373 CG2 ILE A 124 -0.046 4.647 -17.891 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.795 7.061 -19.489 1.00 0.00 C ATOM 0 H ILE A 124 -2.360 3.240 -20.853 1.00 0.00 H new ATOM 0 HA ILE A 124 0.608 3.183 -20.198 1.00 0.00 H new ATOM 0 HB ILE A 124 -1.847 4.636 -19.064 1.00 0.00 H new ATOM 0 HG12 ILE A 124 0.755 5.743 -20.220 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.749 5.636 -21.115 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -0.282 5.591 -17.399 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -0.367 3.819 -17.259 1.00 0.00 H new ATOM 0 HG23 ILE A 124 1.030 4.583 -18.056 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.480 7.894 -20.118 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.882 7.060 -19.406 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -0.355 7.169 -18.498 1.00 0.00 H new ATOM 1386 N ILE A 125 0.112 1.123 -18.851 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.228 -0.043 -17.975 1.00 0.00 C ATOM 1388 C ILE A 125 0.776 -0.217 -16.832 1.00 0.00 C ATOM 1389 O ILE A 125 1.947 0.079 -16.960 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.188 -1.268 -18.891 1.00 0.00 C ATOM 1391 CG1 ILE A 125 1.172 -1.329 -19.604 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.326 -1.197 -19.911 1.00 0.00 C ATOM 1393 CD1 ILE A 125 1.119 -0.591 -20.949 1.00 0.00 C ATOM 0 H ILE A 125 1.037 1.101 -19.279 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.202 0.102 -17.507 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.317 -2.172 -18.295 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.939 -0.884 -18.971 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.456 -2.369 -19.766 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.289 -2.073 -20.559 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.282 -1.172 -19.388 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.218 -0.295 -20.514 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.093 -0.648 -21.434 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.367 -1.054 -21.589 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.859 0.454 -20.781 1.00 0.00 H new ATOM 1405 N MET A 126 0.311 -0.729 -15.724 1.00 0.00 N ATOM 1406 CA MET A 126 1.205 -0.969 -14.554 1.00 0.00 C ATOM 1407 C MET A 126 1.030 -2.415 -14.083 1.00 0.00 C ATOM 1408 O MET A 126 -0.027 -2.995 -14.234 1.00 0.00 O ATOM 1409 CB MET A 126 0.726 0.002 -13.474 1.00 0.00 C ATOM 1410 CG MET A 126 0.906 1.441 -13.957 1.00 0.00 C ATOM 1411 SD MET A 126 0.457 2.582 -12.625 1.00 0.00 S ATOM 1412 CE MET A 126 1.920 2.313 -11.594 1.00 0.00 C ATOM 0 H MET A 126 -0.663 -0.995 -15.578 1.00 0.00 H new ATOM 0 HA MET A 126 2.258 -0.816 -14.790 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.322 -0.185 -13.242 1.00 0.00 H new ATOM 0 HB3 MET A 126 1.289 -0.156 -12.554 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.939 1.608 -14.261 1.00 0.00 H new ATOM 0 HG3 MET A 126 0.283 1.623 -14.833 1.00 0.00 H new ATOM 0 HE1 MET A 126 2.010 3.124 -10.872 1.00 0.00 H new ATOM 0 HE2 MET A 126 1.823 1.365 -11.065 1.00 0.00 H new ATOM 0 HE3 MET A 126 2.809 2.287 -12.224 1.00 0.00 H new ATOM 1422 N VAL A 127 2.042 -3.010 -13.514 1.00 0.00 N ATOM 1423 CA VAL A 127 1.888 -4.420 -13.047 1.00 0.00 C ATOM 1424 C VAL A 127 2.239 -4.536 -11.562 1.00 0.00 C ATOM 1425 O VAL A 127 3.183 -3.937 -11.088 1.00 0.00 O ATOM 1426 CB VAL A 127 2.856 -5.236 -13.904 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.591 -6.726 -13.689 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.642 -4.891 -15.380 1.00 0.00 C ATOM 0 H VAL A 127 2.957 -2.590 -13.353 1.00 0.00 H new ATOM 0 HA VAL A 127 0.863 -4.775 -13.150 1.00 0.00 H new ATOM 0 HB VAL A 127 3.882 -5.002 -13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.280 -7.310 -14.299 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.738 -6.974 -12.638 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.566 -6.958 -13.977 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.331 -5.472 -15.993 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.617 -5.127 -15.664 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.826 -3.828 -15.535 1.00 0.00 H new ATOM 1438 N GLU A 128 1.478 -5.298 -10.821 1.00 0.00 N ATOM 1439 CA GLU A 128 1.761 -5.442 -9.363 1.00 0.00 C ATOM 1440 C GLU A 128 2.166 -6.882 -9.023 1.00 0.00 C ATOM 1441 O GLU A 128 2.837 -7.128 -8.041 1.00 0.00 O ATOM 1442 CB GLU A 128 0.447 -5.085 -8.668 1.00 0.00 C ATOM 1443 CG GLU A 128 0.182 -3.585 -8.812 1.00 0.00 C ATOM 1444 CD GLU A 128 1.350 -2.800 -8.213 1.00 0.00 C ATOM 1445 OE1 GLU A 128 1.841 -3.208 -7.173 1.00 0.00 O ATOM 1446 OE2 GLU A 128 1.733 -1.802 -8.802 1.00 0.00 O ATOM 0 H GLU A 128 0.674 -5.826 -11.162 1.00 0.00 H new ATOM 0 HA GLU A 128 2.585 -4.803 -9.047 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -0.374 -5.653 -9.106 1.00 0.00 H new ATOM 0 HB3 GLU A 128 0.496 -5.356 -7.613 1.00 0.00 H new ATOM 0 HG2 GLU A 128 0.058 -3.326 -9.864 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -0.746 -3.319 -8.306 1.00 0.00 H new ATOM 1453 N GLY A 129 1.760 -7.836 -9.817 1.00 0.00 N ATOM 1454 CA GLY A 129 2.125 -9.253 -9.520 1.00 0.00 C ATOM 1455 C GLY A 129 2.223 -10.046 -10.823 1.00 0.00 C ATOM 1456 O GLY A 129 1.357 -9.970 -11.672 1.00 0.00 O ATOM 0 H GLY A 129 1.194 -7.698 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.076 -9.290 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 129 1.377 -9.701 -8.866 1.00 0.00 H new ATOM 1460 N ARG A 130 3.277 -10.804 -10.986 1.00 0.00 N ATOM 1461 CA ARG A 130 3.453 -11.607 -12.235 1.00 0.00 C ATOM 1462 C ARG A 130 2.561 -12.855 -12.215 1.00 0.00 C ATOM 1463 O ARG A 130 1.953 -13.210 -13.205 1.00 0.00 O ATOM 1464 CB ARG A 130 4.930 -12.010 -12.232 1.00 0.00 C ATOM 1465 CG ARG A 130 5.263 -12.761 -13.524 1.00 0.00 C ATOM 1466 CD ARG A 130 6.617 -13.461 -13.377 1.00 0.00 C ATOM 1467 NE ARG A 130 7.613 -12.359 -13.284 1.00 0.00 N ATOM 1468 CZ ARG A 130 8.879 -12.602 -13.494 1.00 0.00 C ATOM 1469 NH1 ARG A 130 9.502 -13.493 -12.773 1.00 0.00 N ATOM 1470 NH2 ARG A 130 9.521 -11.955 -14.428 1.00 0.00 N ATOM 0 H ARG A 130 4.028 -10.902 -10.303 1.00 0.00 H new ATOM 0 HA ARG A 130 3.175 -11.042 -13.125 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.558 -11.124 -12.143 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.143 -12.640 -11.369 1.00 0.00 H new ATOM 0 HG2 ARG A 130 4.485 -13.493 -13.742 1.00 0.00 H new ATOM 0 HG3 ARG A 130 5.291 -12.066 -14.364 1.00 0.00 H new ATOM 0 HD2 ARG A 130 6.641 -14.091 -12.488 1.00 0.00 H new ATOM 0 HD3 ARG A 130 6.822 -14.107 -14.231 1.00 0.00 H new ATOM 0 HE ARG A 130 7.307 -11.413 -13.056 1.00 0.00 H new ATOM 0 HH11 ARG A 130 9.000 -14.001 -12.044 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.491 -13.682 -12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 130 9.034 -11.260 -14.994 1.00 0.00 H new ATOM 0 HH22 ARG A 130 10.510 -12.144 -14.592 1.00 0.00 H new ATOM 1484 N LYS A 131 2.488 -13.530 -11.101 1.00 0.00 N ATOM 1485 CA LYS A 131 1.649 -14.757 -11.022 1.00 0.00 C ATOM 1486 C LYS A 131 0.654 -14.645 -9.861 1.00 0.00 C ATOM 1487 O LYS A 131 -0.027 -13.637 -9.787 1.00 0.00 O ATOM 1488 CB LYS A 131 2.643 -15.890 -10.770 1.00 0.00 C ATOM 1489 CG LYS A 131 3.656 -15.943 -11.915 1.00 0.00 C ATOM 1490 CD LYS A 131 4.373 -17.295 -11.900 1.00 0.00 C ATOM 1491 CE LYS A 131 4.843 -17.608 -10.477 1.00 0.00 C ATOM 1492 NZ LYS A 131 5.584 -18.894 -10.593 1.00 0.00 N ATOM 1493 OXT LYS A 131 0.595 -15.569 -9.067 1.00 0.00 O ATOM 0 H LYS A 131 2.975 -13.283 -10.240 1.00 0.00 H new ATOM 0 HA LYS A 131 1.061 -14.919 -11.926 1.00 0.00 H new ATOM 0 HB2 LYS A 131 3.157 -15.733 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.115 -16.841 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.150 -15.798 -12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.380 -15.134 -11.812 1.00 0.00 H new ATOM 0 HD2 LYS A 131 3.702 -18.078 -12.253 1.00 0.00 H new ATOM 0 HD3 LYS A 131 5.225 -17.274 -12.580 1.00 0.00 H new ATOM 0 HE2 LYS A 131 5.484 -16.816 -10.089 1.00 0.00 H new ATOM 0 HE3 LYS A 131 3.999 -17.698 -9.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 5.938 -19.176 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 4.947 -19.630 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 6.385 -18.775 -11.245 1.00 0.00 H new