USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=16 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 114:sc= -1.83! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -14.6! C(o=-16!,f=-27!) USER MOD Set 2.1: A 47 LYS NZ :NH3+ -142:sc= -0.371 (180deg=-0.423) USER MOD Set 2.2: A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 45 CYS SG : rot -73:sc= -0.276 USER MOD Set 3.2: A 122 TYR OH : rot -146:sc= 1.24 USER MOD Set 4.1: A 42 HIS : no HD1:sc= -0.151 K(o=0.43,f=-4.5!) USER MOD Set 4.2: A 78 GLN : amide:sc= 0.583 K(o=0.43,f=-1.2) USER MOD Single : A 36 ASN : amide:sc= -3.81! C(o=-3.8!,f=-11!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -7.24! C(o=-7.2!,f=-11!) USER MOD Single : A 50 LYS NZ :NH3+ 156:sc= -2.29! (180deg=-3.7!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0511 USER MOD Single : A 62 MET CE :methyl -149:sc= -0.467 (180deg=-0.713) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 70 GLN : amide:sc= -4.09! K(o=-4.1!,f=-1.2) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.307) USER MOD Single : A 85 MET CE :methyl -158:sc= -0.376 (180deg=-1.91!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 89 SER OG : rot 180:sc= -0.146 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -2.78! C(o=-2.8!,f=-7.2!) USER MOD Single : A 112 THR OG1 : rot 60:sc= -4.13! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl -135:sc= -1.79 (180deg=-2.71) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 -0.369 -18.224 -12.591 1.00 0.00 N ATOM 2 CA ASN A 36 -0.017 -18.121 -14.037 1.00 0.00 C ATOM 3 C ASN A 36 -0.685 -16.891 -14.657 1.00 0.00 C ATOM 4 O ASN A 36 -0.906 -16.828 -15.850 1.00 0.00 O ATOM 5 CB ASN A 36 -0.561 -19.403 -14.670 1.00 0.00 C ATOM 6 CG ASN A 36 -2.090 -19.396 -14.613 1.00 0.00 C ATOM 7 OD1 ASN A 36 -2.720 -18.429 -14.993 1.00 0.00 O ATOM 8 ND2 ASN A 36 -2.719 -20.444 -14.152 1.00 0.00 N ATOM 0 HA ASN A 36 1.056 -18.013 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -0.226 -19.480 -15.704 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.172 -20.274 -14.143 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.738 -20.450 -14.111 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.191 -21.256 -13.833 1.00 0.00 H new ATOM 15 N ALA A 37 -1.008 -15.913 -13.856 1.00 0.00 N ATOM 16 CA ALA A 37 -1.661 -14.692 -14.399 1.00 0.00 C ATOM 17 C ALA A 37 -0.876 -13.445 -13.986 1.00 0.00 C ATOM 18 O ALA A 37 0.066 -13.514 -13.223 1.00 0.00 O ATOM 19 CB ALA A 37 -3.056 -14.679 -13.774 1.00 0.00 C ATOM 0 H ALA A 37 -0.847 -15.908 -12.849 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.702 -14.695 -15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.604 -13.805 -14.126 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.592 -15.584 -14.061 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.968 -14.639 -12.688 1.00 0.00 H new ATOM 25 N VAL A 38 -1.256 -12.307 -14.492 1.00 0.00 N ATOM 26 CA VAL A 38 -0.534 -11.051 -14.142 1.00 0.00 C ATOM 27 C VAL A 38 -1.538 -9.954 -13.767 1.00 0.00 C ATOM 28 O VAL A 38 -2.671 -9.962 -14.204 1.00 0.00 O ATOM 29 CB VAL A 38 0.220 -10.688 -15.422 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.742 -10.758 -16.607 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.794 -9.273 -15.312 1.00 0.00 C ATOM 0 H VAL A 38 -2.039 -12.191 -15.136 1.00 0.00 H new ATOM 0 HA VAL A 38 0.133 -11.165 -13.288 1.00 0.00 H new ATOM 0 HB VAL A 38 1.040 -11.391 -15.568 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.210 -10.500 -17.523 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.142 -11.768 -16.692 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.561 -10.055 -16.453 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.329 -9.025 -16.229 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.018 -8.562 -15.162 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.481 -9.224 -14.467 1.00 0.00 H new ATOM 41 N LYS A 39 -1.125 -8.999 -12.975 1.00 0.00 N ATOM 42 CA LYS A 39 -2.051 -7.893 -12.593 1.00 0.00 C ATOM 43 C LYS A 39 -1.755 -6.663 -13.451 1.00 0.00 C ATOM 44 O LYS A 39 -0.685 -6.089 -13.383 1.00 0.00 O ATOM 45 CB LYS A 39 -1.755 -7.608 -11.119 1.00 0.00 C ATOM 46 CG LYS A 39 -2.356 -8.716 -10.251 1.00 0.00 C ATOM 47 CD LYS A 39 -2.456 -8.229 -8.804 1.00 0.00 C ATOM 48 CE LYS A 39 -3.641 -7.273 -8.666 1.00 0.00 C ATOM 49 NZ LYS A 39 -3.714 -6.965 -7.211 1.00 0.00 N ATOM 0 H LYS A 39 -0.188 -8.938 -12.577 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.099 -8.153 -12.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.678 -7.550 -10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.172 -6.642 -10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.343 -8.990 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.736 -9.611 -10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.580 -9.078 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.534 -7.725 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.490 -6.368 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.564 -7.733 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.504 -6.313 -7.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.865 -7.845 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.824 -6.522 -6.905 1.00 0.00 H new ATOM 63 N VAL A 40 -2.686 -6.261 -14.273 1.00 0.00 N ATOM 64 CA VAL A 40 -2.440 -5.078 -15.149 1.00 0.00 C ATOM 65 C VAL A 40 -3.454 -3.960 -14.881 1.00 0.00 C ATOM 66 O VAL A 40 -4.650 -4.155 -14.958 1.00 0.00 O ATOM 67 CB VAL A 40 -2.600 -5.610 -16.574 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.532 -4.448 -17.569 1.00 0.00 C ATOM 69 CG2 VAL A 40 -1.474 -6.600 -16.875 1.00 0.00 C ATOM 0 H VAL A 40 -3.602 -6.697 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.457 -4.644 -14.969 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.564 -6.110 -16.667 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.646 -4.830 -18.583 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.332 -3.739 -17.356 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.569 -3.946 -17.477 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.586 -6.981 -17.890 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.512 -6.097 -16.780 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.521 -7.429 -16.169 1.00 0.00 H new ATOM 79 N ARG A 41 -2.971 -2.781 -14.595 1.00 0.00 N ATOM 80 CA ARG A 41 -3.882 -1.624 -14.351 1.00 0.00 C ATOM 81 C ARG A 41 -3.488 -0.491 -15.298 1.00 0.00 C ATOM 82 O ARG A 41 -2.435 0.099 -15.157 1.00 0.00 O ATOM 83 CB ARG A 41 -3.635 -1.212 -12.901 1.00 0.00 C ATOM 84 CG ARG A 41 -4.022 -2.357 -11.965 1.00 0.00 C ATOM 85 CD ARG A 41 -3.824 -1.914 -10.513 1.00 0.00 C ATOM 86 NE ARG A 41 -5.011 -1.072 -10.200 1.00 0.00 N ATOM 87 CZ ARG A 41 -5.374 -0.889 -8.959 1.00 0.00 C ATOM 88 NH1 ARG A 41 -4.669 -0.115 -8.178 1.00 0.00 N ATOM 89 NH2 ARG A 41 -6.443 -1.480 -8.498 1.00 0.00 N ATOM 0 H ARG A 41 -1.976 -2.568 -14.519 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.932 -1.864 -14.520 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.585 -0.954 -12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.217 -0.322 -12.662 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.061 -2.643 -12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -3.412 -3.236 -12.175 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.762 -2.772 -9.844 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.899 -1.350 -10.395 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.541 -0.638 -10.955 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.834 0.347 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.954 0.027 -7.209 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.994 -2.084 -9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.727 -1.337 -7.529 1.00 0.00 H new ATOM 103 N HIS A 42 -4.293 -0.192 -16.281 1.00 0.00 N ATOM 104 CA HIS A 42 -3.894 0.886 -17.227 1.00 0.00 C ATOM 105 C HIS A 42 -5.040 1.850 -17.529 1.00 0.00 C ATOM 106 O HIS A 42 -6.197 1.576 -17.275 1.00 0.00 O ATOM 107 CB HIS A 42 -3.484 0.142 -18.511 1.00 0.00 C ATOM 108 CG HIS A 42 -4.703 -0.126 -19.365 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.030 0.663 -20.459 1.00 0.00 N ATOM 110 CD2 HIS A 42 -5.686 -1.079 -19.284 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.170 0.175 -20.986 1.00 0.00 C ATOM 112 NE2 HIS A 42 -6.612 -0.888 -20.308 1.00 0.00 N ATOM 0 H HIS A 42 -5.191 -0.637 -16.467 1.00 0.00 H new ATOM 0 HA HIS A 42 -3.096 1.498 -16.806 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.761 0.736 -19.070 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.995 -0.798 -18.256 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -5.735 -1.860 -18.539 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.666 0.592 -21.850 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.448 -1.441 -20.499 1.00 0.00 H new ATOM 120 N ILE A 43 -4.711 2.959 -18.130 1.00 0.00 N ATOM 121 CA ILE A 43 -5.752 3.937 -18.528 1.00 0.00 C ATOM 122 C ILE A 43 -5.696 4.077 -20.049 1.00 0.00 C ATOM 123 O ILE A 43 -4.626 4.175 -20.633 1.00 0.00 O ATOM 124 CB ILE A 43 -5.397 5.255 -17.832 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.921 5.589 -18.065 1.00 0.00 C ATOM 126 CG2 ILE A 43 -5.655 5.123 -16.329 1.00 0.00 C ATOM 127 CD1 ILE A 43 -3.647 7.026 -17.616 1.00 0.00 C ATOM 0 H ILE A 43 -3.755 3.229 -18.363 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.760 3.633 -18.245 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.015 6.053 -18.244 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.288 4.896 -17.510 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.673 5.473 -19.120 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.403 6.060 -15.833 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.707 4.894 -16.159 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.039 4.320 -15.923 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.596 7.265 -17.781 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.270 7.712 -18.190 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.879 7.126 -16.556 1.00 0.00 H new ATOM 139 N LEU A 44 -6.828 4.047 -20.698 1.00 0.00 N ATOM 140 CA LEU A 44 -6.836 4.140 -22.185 1.00 0.00 C ATOM 141 C LEU A 44 -7.350 5.502 -22.648 1.00 0.00 C ATOM 142 O LEU A 44 -8.376 5.977 -22.205 1.00 0.00 O ATOM 143 CB LEU A 44 -7.797 3.041 -22.640 1.00 0.00 C ATOM 144 CG LEU A 44 -7.537 2.716 -24.111 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.305 1.456 -24.502 1.00 0.00 C ATOM 146 CD2 LEU A 44 -8.007 3.880 -24.981 1.00 0.00 C ATOM 0 H LEU A 44 -7.747 3.962 -20.263 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.835 4.025 -22.600 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.661 2.148 -22.029 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.829 3.366 -22.505 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.469 2.553 -24.260 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.118 1.227 -25.551 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.974 0.622 -23.884 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.372 1.619 -24.351 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.822 3.648 -26.030 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.074 4.041 -24.828 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.461 4.783 -24.707 1.00 0.00 H new ATOM 158 N CYS A 45 -6.650 6.122 -23.554 1.00 0.00 N ATOM 159 CA CYS A 45 -7.104 7.440 -24.069 1.00 0.00 C ATOM 160 C CYS A 45 -6.854 7.501 -25.575 1.00 0.00 C ATOM 161 O CYS A 45 -6.104 6.713 -26.115 1.00 0.00 O ATOM 162 CB CYS A 45 -6.251 8.467 -23.336 1.00 0.00 C ATOM 163 SG CYS A 45 -6.644 10.125 -23.941 1.00 0.00 S ATOM 0 H CYS A 45 -5.782 5.772 -23.960 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.167 7.618 -23.906 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.434 8.408 -22.263 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.193 8.254 -23.491 1.00 0.00 H new ATOM 0 HG CYS A 45 -6.149 10.281 -25.133 1.00 0.00 H new ATOM 169 N GLU A 46 -7.469 8.422 -26.260 1.00 0.00 N ATOM 170 CA GLU A 46 -7.257 8.510 -27.730 1.00 0.00 C ATOM 171 C GLU A 46 -5.857 9.060 -28.030 1.00 0.00 C ATOM 172 O GLU A 46 -5.234 9.688 -27.198 1.00 0.00 O ATOM 173 CB GLU A 46 -8.348 9.458 -28.225 1.00 0.00 C ATOM 174 CG GLU A 46 -9.707 8.764 -28.120 1.00 0.00 C ATOM 175 CD GLU A 46 -9.730 7.542 -29.041 1.00 0.00 C ATOM 176 OE1 GLU A 46 -9.678 7.731 -30.245 1.00 0.00 O ATOM 177 OE2 GLU A 46 -9.799 6.439 -28.527 1.00 0.00 O ATOM 0 H GLU A 46 -8.107 9.115 -25.868 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.316 7.540 -28.224 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.347 10.373 -27.632 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.153 9.747 -29.258 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.893 8.460 -27.090 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.503 9.456 -28.397 1.00 0.00 H new ATOM 184 N LYS A 47 -5.349 8.803 -29.205 1.00 0.00 N ATOM 185 CA LYS A 47 -3.978 9.280 -29.556 1.00 0.00 C ATOM 186 C LYS A 47 -3.982 10.768 -29.921 1.00 0.00 C ATOM 187 O LYS A 47 -4.669 11.194 -30.828 1.00 0.00 O ATOM 188 CB LYS A 47 -3.570 8.439 -30.767 1.00 0.00 C ATOM 189 CG LYS A 47 -2.155 8.828 -31.208 1.00 0.00 C ATOM 190 CD LYS A 47 -2.066 8.785 -32.735 1.00 0.00 C ATOM 191 CE LYS A 47 -0.753 9.429 -33.190 1.00 0.00 C ATOM 192 NZ LYS A 47 0.252 8.331 -33.140 1.00 0.00 N ATOM 0 H LYS A 47 -5.826 8.281 -29.941 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.289 9.172 -28.718 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.605 7.379 -30.515 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.273 8.596 -31.585 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.912 9.827 -30.847 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.426 8.145 -30.771 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.117 7.754 -33.084 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.913 9.312 -33.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.842 9.837 -34.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.470 10.253 -32.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.160 8.707 -32.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.078 7.587 -32.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.377 7.931 -34.092 1.00 0.00 H new ATOM 206 N HIS A 48 -3.205 11.557 -29.227 1.00 0.00 N ATOM 207 CA HIS A 48 -3.145 13.015 -29.541 1.00 0.00 C ATOM 208 C HIS A 48 -1.689 13.471 -29.687 1.00 0.00 C ATOM 209 O HIS A 48 -1.415 14.548 -30.177 1.00 0.00 O ATOM 210 CB HIS A 48 -3.803 13.716 -28.355 1.00 0.00 C ATOM 211 CG HIS A 48 -5.132 13.084 -28.080 1.00 0.00 C ATOM 212 ND1 HIS A 48 -5.901 12.525 -29.084 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.845 12.919 -26.922 1.00 0.00 C ATOM 214 CE1 HIS A 48 -7.022 12.053 -28.516 1.00 0.00 C ATOM 215 NE2 HIS A 48 -7.041 12.267 -27.198 1.00 0.00 N ATOM 0 H HIS A 48 -2.609 11.255 -28.456 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.649 13.247 -30.479 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.164 13.643 -27.475 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.930 14.777 -28.570 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.661 12.480 -30.074 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.526 13.246 -25.943 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.814 11.559 -29.060 1.00 0.00 H new ATOM 223 N GLY A 49 -0.752 12.665 -29.265 1.00 0.00 N ATOM 224 CA GLY A 49 0.680 13.060 -29.379 1.00 0.00 C ATOM 225 C GLY A 49 1.191 13.522 -28.013 1.00 0.00 C ATOM 226 O GLY A 49 2.321 13.944 -27.874 1.00 0.00 O ATOM 0 H GLY A 49 -0.917 11.750 -28.846 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.273 12.218 -29.736 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.791 13.860 -30.110 1.00 0.00 H new ATOM 230 N LYS A 50 0.366 13.447 -27.000 1.00 0.00 N ATOM 231 CA LYS A 50 0.812 13.886 -25.648 1.00 0.00 C ATOM 232 C LYS A 50 1.468 12.724 -24.894 1.00 0.00 C ATOM 233 O LYS A 50 1.608 12.759 -23.688 1.00 0.00 O ATOM 234 CB LYS A 50 -0.462 14.377 -24.937 1.00 0.00 C ATOM 235 CG LYS A 50 -1.196 13.218 -24.245 1.00 0.00 C ATOM 236 CD LYS A 50 -1.945 12.381 -25.287 1.00 0.00 C ATOM 237 CE LYS A 50 -1.093 11.176 -25.686 1.00 0.00 C ATOM 238 NZ LYS A 50 -0.727 10.525 -24.398 1.00 0.00 N ATOM 0 H LYS A 50 -0.592 13.102 -27.052 1.00 0.00 H new ATOM 0 HA LYS A 50 1.563 14.674 -25.698 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.200 15.136 -24.200 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.126 14.850 -25.661 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.483 12.593 -23.708 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.897 13.608 -23.507 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.899 12.046 -24.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.167 12.988 -26.164 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.649 10.494 -26.330 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.206 11.485 -26.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.512 9.521 -24.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.109 10.996 -23.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.522 10.602 -23.732 1.00 0.00 H new ATOM 252 N ILE A 51 1.879 11.698 -25.592 1.00 0.00 N ATOM 253 CA ILE A 51 2.532 10.550 -24.899 1.00 0.00 C ATOM 254 C ILE A 51 3.559 11.081 -23.901 1.00 0.00 C ATOM 255 O ILE A 51 3.607 10.666 -22.760 1.00 0.00 O ATOM 256 CB ILE A 51 3.210 9.748 -26.009 1.00 0.00 C ATOM 257 CG1 ILE A 51 2.147 8.980 -26.795 1.00 0.00 C ATOM 258 CG2 ILE A 51 4.201 8.756 -25.396 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.782 8.357 -28.039 1.00 0.00 C ATOM 0 H ILE A 51 1.792 11.606 -26.604 1.00 0.00 H new ATOM 0 HA ILE A 51 1.827 9.934 -24.340 1.00 0.00 H new ATOM 0 HB ILE A 51 3.743 10.427 -26.674 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.708 8.202 -26.170 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.338 9.651 -27.084 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.683 8.186 -26.190 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.957 9.300 -24.830 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.670 8.075 -24.731 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.024 7.810 -28.599 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.200 9.144 -28.667 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.576 7.673 -27.739 1.00 0.00 H new ATOM 271 N MET A 52 4.372 12.008 -24.321 1.00 0.00 N ATOM 272 CA MET A 52 5.389 12.584 -23.398 1.00 0.00 C ATOM 273 C MET A 52 4.685 13.350 -22.275 1.00 0.00 C ATOM 274 O MET A 52 5.127 13.361 -21.143 1.00 0.00 O ATOM 275 CB MET A 52 6.208 13.539 -24.265 1.00 0.00 C ATOM 276 CG MET A 52 5.349 14.752 -24.627 1.00 0.00 C ATOM 277 SD MET A 52 6.193 15.738 -25.889 1.00 0.00 S ATOM 278 CE MET A 52 5.043 17.134 -25.890 1.00 0.00 C ATOM 0 H MET A 52 4.377 12.393 -25.266 1.00 0.00 H new ATOM 0 HA MET A 52 6.014 11.823 -22.931 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.102 13.858 -23.730 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.542 13.032 -25.170 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.377 14.425 -24.996 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.165 15.358 -23.740 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.376 17.879 -26.612 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.047 16.785 -26.162 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.012 17.580 -24.896 1.00 0.00 H new ATOM 288 N GLU A 53 3.589 13.987 -22.585 1.00 0.00 N ATOM 289 CA GLU A 53 2.850 14.753 -21.541 1.00 0.00 C ATOM 290 C GLU A 53 2.094 13.796 -20.616 1.00 0.00 C ATOM 291 O GLU A 53 1.845 14.098 -19.467 1.00 0.00 O ATOM 292 CB GLU A 53 1.869 15.634 -22.316 1.00 0.00 C ATOM 293 CG GLU A 53 1.221 16.638 -21.360 1.00 0.00 C ATOM 294 CD GLU A 53 0.172 17.460 -22.110 1.00 0.00 C ATOM 295 OE1 GLU A 53 -0.711 16.859 -22.699 1.00 0.00 O ATOM 296 OE2 GLU A 53 0.268 18.675 -22.082 1.00 0.00 O ATOM 0 H GLU A 53 3.173 14.010 -23.516 1.00 0.00 H new ATOM 0 HA GLU A 53 3.518 15.341 -20.912 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.390 16.161 -23.115 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.103 15.017 -22.787 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.757 16.113 -20.525 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.981 17.297 -20.939 1.00 0.00 H new ATOM 303 N ALA A 54 1.724 12.645 -21.108 1.00 0.00 N ATOM 304 CA ALA A 54 0.984 11.676 -20.253 1.00 0.00 C ATOM 305 C ALA A 54 1.933 11.023 -19.244 1.00 0.00 C ATOM 306 O ALA A 54 1.625 10.911 -18.074 1.00 0.00 O ATOM 307 CB ALA A 54 0.431 10.631 -21.222 1.00 0.00 C ATOM 0 H ALA A 54 1.902 12.335 -22.063 1.00 0.00 H new ATOM 0 HA ALA A 54 0.193 12.157 -19.678 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.129 9.879 -20.666 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.228 11.115 -21.942 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.256 10.152 -21.750 1.00 0.00 H new ATOM 313 N MET A 55 3.082 10.589 -19.685 1.00 0.00 N ATOM 314 CA MET A 55 4.041 9.943 -18.743 1.00 0.00 C ATOM 315 C MET A 55 4.524 10.955 -17.698 1.00 0.00 C ATOM 316 O MET A 55 4.571 10.664 -16.520 1.00 0.00 O ATOM 317 CB MET A 55 5.200 9.458 -19.615 1.00 0.00 C ATOM 318 CG MET A 55 6.054 10.649 -20.048 1.00 0.00 C ATOM 319 SD MET A 55 7.340 10.082 -21.190 1.00 0.00 S ATOM 320 CE MET A 55 8.560 9.611 -19.939 1.00 0.00 C ATOM 0 H MET A 55 3.398 10.653 -20.653 1.00 0.00 H new ATOM 0 HA MET A 55 3.585 9.120 -18.192 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.809 8.744 -19.062 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.815 8.937 -20.491 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.430 11.402 -20.530 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.508 11.121 -19.177 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.454 9.226 -20.429 1.00 0.00 H new ATOM 0 HE2 MET A 55 8.822 10.483 -19.340 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.140 8.840 -19.293 1.00 0.00 H new ATOM 330 N GLU A 56 4.871 12.145 -18.112 1.00 0.00 N ATOM 331 CA GLU A 56 5.331 13.163 -17.121 1.00 0.00 C ATOM 332 C GLU A 56 4.176 13.526 -16.192 1.00 0.00 C ATOM 333 O GLU A 56 4.348 13.649 -15.000 1.00 0.00 O ATOM 334 CB GLU A 56 5.762 14.371 -17.950 1.00 0.00 C ATOM 335 CG GLU A 56 6.386 15.425 -17.033 1.00 0.00 C ATOM 336 CD GLU A 56 6.722 16.676 -17.845 1.00 0.00 C ATOM 337 OE1 GLU A 56 6.258 16.771 -18.969 1.00 0.00 O ATOM 338 OE2 GLU A 56 7.436 17.520 -17.329 1.00 0.00 O ATOM 0 H GLU A 56 4.857 12.455 -19.084 1.00 0.00 H new ATOM 0 HA GLU A 56 6.148 12.801 -16.497 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.480 14.065 -18.711 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.903 14.792 -18.473 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.695 15.676 -16.228 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.288 15.028 -16.567 1.00 0.00 H new ATOM 345 N LYS A 57 2.994 13.674 -16.722 1.00 0.00 N ATOM 346 CA LYS A 57 1.834 13.998 -15.846 1.00 0.00 C ATOM 347 C LYS A 57 1.552 12.794 -14.949 1.00 0.00 C ATOM 348 O LYS A 57 1.109 12.923 -13.825 1.00 0.00 O ATOM 349 CB LYS A 57 0.668 14.253 -16.800 1.00 0.00 C ATOM 350 CG LYS A 57 0.874 15.592 -17.509 1.00 0.00 C ATOM 351 CD LYS A 57 0.033 16.670 -16.820 1.00 0.00 C ATOM 352 CE LYS A 57 0.158 17.986 -17.590 1.00 0.00 C ATOM 353 NZ LYS A 57 -0.978 18.820 -17.106 1.00 0.00 N ATOM 0 H LYS A 57 2.782 13.586 -17.716 1.00 0.00 H new ATOM 0 HA LYS A 57 2.008 14.861 -15.203 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.600 13.448 -17.532 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.272 14.262 -16.248 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.928 15.869 -17.487 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.588 15.508 -18.558 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.011 16.359 -16.777 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.368 16.805 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.115 18.469 -17.394 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.098 17.822 -18.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.962 19.741 -17.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.876 18.337 -17.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.890 18.964 -16.080 1.00 0.00 H new ATOM 367 N LEU A 58 1.826 11.621 -15.448 1.00 0.00 N ATOM 368 CA LEU A 58 1.603 10.386 -14.649 1.00 0.00 C ATOM 369 C LEU A 58 2.680 10.265 -13.569 1.00 0.00 C ATOM 370 O LEU A 58 2.453 9.706 -12.516 1.00 0.00 O ATOM 371 CB LEU A 58 1.728 9.249 -15.665 1.00 0.00 C ATOM 372 CG LEU A 58 1.436 7.912 -14.984 1.00 0.00 C ATOM 373 CD1 LEU A 58 -0.067 7.789 -14.730 1.00 0.00 C ATOM 374 CD2 LEU A 58 1.891 6.769 -15.896 1.00 0.00 C ATOM 0 H LEU A 58 2.199 11.465 -16.385 1.00 0.00 H new ATOM 0 HA LEU A 58 0.640 10.378 -14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.032 9.407 -16.489 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.731 9.239 -16.092 1.00 0.00 H new ATOM 0 HG LEU A 58 1.972 7.860 -14.036 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.277 6.836 -14.244 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.395 8.605 -14.086 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.602 7.838 -15.679 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.684 5.814 -15.413 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.352 6.822 -16.842 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.961 6.857 -16.083 1.00 0.00 H new ATOM 386 N LYS A 59 3.852 10.791 -13.829 1.00 0.00 N ATOM 387 CA LYS A 59 4.955 10.714 -12.828 1.00 0.00 C ATOM 388 C LYS A 59 4.955 9.344 -12.140 1.00 0.00 C ATOM 389 O LYS A 59 5.551 8.399 -12.618 1.00 0.00 O ATOM 390 CB LYS A 59 4.665 11.826 -11.817 1.00 0.00 C ATOM 391 CG LYS A 59 4.656 13.181 -12.519 1.00 0.00 C ATOM 392 CD LYS A 59 4.823 14.293 -11.481 1.00 0.00 C ATOM 393 CE LYS A 59 4.891 15.650 -12.186 1.00 0.00 C ATOM 394 NZ LYS A 59 6.283 16.129 -11.964 1.00 0.00 N ATOM 0 H LYS A 59 4.091 11.272 -14.696 1.00 0.00 H new ATOM 0 HA LYS A 59 5.935 10.836 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.703 11.650 -11.336 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.420 11.820 -11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.462 13.229 -13.252 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.721 13.314 -13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.988 14.278 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.730 14.128 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.671 15.554 -13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.163 16.347 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.408 17.056 -12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.461 16.217 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.954 15.449 -12.375 1.00 0.00 H new ATOM 408 N SER A 60 4.286 9.226 -11.024 1.00 0.00 N ATOM 409 CA SER A 60 4.242 7.920 -10.312 1.00 0.00 C ATOM 410 C SER A 60 2.792 7.555 -9.989 1.00 0.00 C ATOM 411 O SER A 60 1.866 8.045 -10.606 1.00 0.00 O ATOM 412 CB SER A 60 5.038 8.146 -9.027 1.00 0.00 C ATOM 413 OG SER A 60 4.412 9.169 -8.262 1.00 0.00 O ATOM 0 H SER A 60 3.767 9.981 -10.575 1.00 0.00 H new ATOM 0 HA SER A 60 4.654 7.104 -10.906 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.089 7.223 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.063 8.429 -9.265 1.00 0.00 H new ATOM 0 HG SER A 60 4.918 9.316 -7.436 1.00 0.00 H new ATOM 419 N GLY A 61 2.583 6.708 -9.018 1.00 0.00 N ATOM 420 CA GLY A 61 1.189 6.325 -8.655 1.00 0.00 C ATOM 421 C GLY A 61 0.515 7.493 -7.930 1.00 0.00 C ATOM 422 O GLY A 61 -0.643 7.425 -7.568 1.00 0.00 O ATOM 0 H GLY A 61 3.315 6.266 -8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.626 6.065 -9.551 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.197 5.442 -8.016 1.00 0.00 H new ATOM 426 N MET A 62 1.229 8.565 -7.716 1.00 0.00 N ATOM 427 CA MET A 62 0.629 9.734 -7.013 1.00 0.00 C ATOM 428 C MET A 62 -0.500 10.341 -7.851 1.00 0.00 C ATOM 429 O MET A 62 -1.565 10.640 -7.349 1.00 0.00 O ATOM 430 CB MET A 62 1.777 10.731 -6.862 1.00 0.00 C ATOM 431 CG MET A 62 1.281 11.973 -6.119 1.00 0.00 C ATOM 432 SD MET A 62 2.595 13.216 -6.073 1.00 0.00 S ATOM 433 CE MET A 62 2.376 13.838 -7.758 1.00 0.00 C ATOM 0 H MET A 62 2.202 8.681 -7.998 1.00 0.00 H new ATOM 0 HA MET A 62 0.194 9.458 -6.052 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.601 10.272 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 62 2.161 11.010 -7.843 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.400 12.379 -6.616 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.982 11.708 -5.105 1.00 0.00 H new ATOM 0 HE1 MET A 62 3.336 14.176 -8.149 1.00 0.00 H new ATOM 0 HE2 MET A 62 1.986 13.042 -8.392 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.674 14.672 -7.750 1.00 0.00 H new ATOM 443 N ARG A 63 -0.273 10.534 -9.122 1.00 0.00 N ATOM 444 CA ARG A 63 -1.334 11.132 -9.982 1.00 0.00 C ATOM 445 C ARG A 63 -1.961 10.069 -10.889 1.00 0.00 C ATOM 446 O ARG A 63 -2.698 10.383 -11.803 1.00 0.00 O ATOM 447 CB ARG A 63 -0.614 12.192 -10.817 1.00 0.00 C ATOM 448 CG ARG A 63 -0.608 13.520 -10.058 1.00 0.00 C ATOM 449 CD ARG A 63 0.182 14.563 -10.852 1.00 0.00 C ATOM 450 NE ARG A 63 0.244 15.756 -9.963 1.00 0.00 N ATOM 451 CZ ARG A 63 0.935 16.804 -10.323 1.00 0.00 C ATOM 452 NH1 ARG A 63 0.549 17.521 -11.343 1.00 0.00 N ATOM 453 NH2 ARG A 63 2.010 17.132 -9.663 1.00 0.00 N ATOM 0 H ARG A 63 0.598 10.304 -9.601 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.147 11.555 -9.392 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.408 11.875 -11.025 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.112 12.313 -11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.630 13.865 -9.901 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.163 13.385 -9.072 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.180 14.200 -11.096 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.311 14.798 -11.795 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.253 15.755 -9.073 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.292 17.263 -11.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.089 18.340 -11.624 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.311 16.570 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.551 17.950 -9.943 1.00 0.00 H new ATOM 467 N PHE A 64 -1.683 8.816 -10.650 1.00 0.00 N ATOM 468 CA PHE A 64 -2.278 7.753 -11.510 1.00 0.00 C ATOM 469 C PHE A 64 -3.789 7.965 -11.623 1.00 0.00 C ATOM 470 O PHE A 64 -4.361 7.872 -12.691 1.00 0.00 O ATOM 471 CB PHE A 64 -1.970 6.433 -10.800 1.00 0.00 C ATOM 472 CG PHE A 64 -2.417 5.280 -11.669 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.684 4.940 -12.812 1.00 0.00 C ATOM 474 CD2 PHE A 64 -3.565 4.552 -11.331 1.00 0.00 C ATOM 475 CE1 PHE A 64 -2.100 3.874 -13.619 1.00 0.00 C ATOM 476 CE2 PHE A 64 -3.980 3.486 -12.138 1.00 0.00 C ATOM 477 CZ PHE A 64 -3.247 3.146 -13.281 1.00 0.00 C ATOM 0 H PHE A 64 -1.074 8.484 -9.902 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.873 7.765 -12.522 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.902 6.357 -10.597 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.481 6.397 -9.838 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.798 5.500 -13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.130 4.813 -10.448 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.536 3.613 -14.502 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.866 2.926 -11.879 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.566 2.322 -13.902 1.00 0.00 H new ATOM 487 N ASN A 65 -4.437 8.260 -10.528 1.00 0.00 N ATOM 488 CA ASN A 65 -5.909 8.489 -10.574 1.00 0.00 C ATOM 489 C ASN A 65 -6.211 9.785 -11.329 1.00 0.00 C ATOM 490 O ASN A 65 -7.159 9.870 -12.084 1.00 0.00 O ATOM 491 CB ASN A 65 -6.341 8.606 -9.112 1.00 0.00 C ATOM 492 CG ASN A 65 -7.866 8.690 -9.036 1.00 0.00 C ATOM 493 OD1 ASN A 65 -8.562 7.897 -9.640 1.00 0.00 O ATOM 494 ND2 ASN A 65 -8.420 9.626 -8.315 1.00 0.00 N ATOM 0 H ASN A 65 -4.011 8.352 -9.606 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.438 7.687 -11.088 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.985 7.745 -8.546 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.894 9.491 -8.659 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.436 9.692 -8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.837 10.292 -7.808 1.00 0.00 H new ATOM 501 N GLU A 66 -5.406 10.794 -11.136 1.00 0.00 N ATOM 502 CA GLU A 66 -5.642 12.081 -11.847 1.00 0.00 C ATOM 503 C GLU A 66 -5.547 11.864 -13.360 1.00 0.00 C ATOM 504 O GLU A 66 -6.427 12.242 -14.108 1.00 0.00 O ATOM 505 CB GLU A 66 -4.527 13.010 -11.368 1.00 0.00 C ATOM 506 CG GLU A 66 -4.746 13.354 -9.893 1.00 0.00 C ATOM 507 CD GLU A 66 -3.847 14.529 -9.503 1.00 0.00 C ATOM 508 OE1 GLU A 66 -3.367 15.204 -10.400 1.00 0.00 O ATOM 509 OE2 GLU A 66 -3.652 14.733 -8.317 1.00 0.00 O ATOM 0 H GLU A 66 -4.596 10.782 -10.517 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.629 12.495 -11.642 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.557 12.530 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.516 13.921 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.791 13.609 -9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.522 12.488 -9.270 1.00 0.00 H new ATOM 516 N VAL A 67 -4.487 11.251 -13.812 1.00 0.00 N ATOM 517 CA VAL A 67 -4.338 11.003 -15.273 1.00 0.00 C ATOM 518 C VAL A 67 -5.354 9.952 -15.732 1.00 0.00 C ATOM 519 O VAL A 67 -5.932 10.056 -16.795 1.00 0.00 O ATOM 520 CB VAL A 67 -2.909 10.486 -15.443 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.659 10.151 -16.913 1.00 0.00 C ATOM 522 CG2 VAL A 67 -1.921 11.563 -14.991 1.00 0.00 C ATOM 0 H VAL A 67 -3.719 10.912 -13.233 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.517 11.898 -15.868 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.773 9.590 -14.838 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.640 9.783 -17.034 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.363 9.384 -17.236 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.795 11.047 -17.519 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.902 11.196 -15.112 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.058 12.459 -15.596 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.098 11.803 -13.943 1.00 0.00 H new ATOM 532 N ALA A 68 -5.575 8.942 -14.934 1.00 0.00 N ATOM 533 CA ALA A 68 -6.554 7.884 -15.317 1.00 0.00 C ATOM 534 C ALA A 68 -7.950 8.489 -15.499 1.00 0.00 C ATOM 535 O ALA A 68 -8.585 8.313 -16.520 1.00 0.00 O ATOM 536 CB ALA A 68 -6.546 6.898 -14.148 1.00 0.00 C ATOM 0 H ALA A 68 -5.119 8.804 -14.032 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.293 7.404 -16.260 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.244 6.086 -14.352 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.543 6.491 -14.022 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.846 7.413 -13.235 1.00 0.00 H new ATOM 542 N ALA A 69 -8.435 9.199 -14.517 1.00 0.00 N ATOM 543 CA ALA A 69 -9.790 9.809 -14.639 1.00 0.00 C ATOM 544 C ALA A 69 -9.858 10.703 -15.882 1.00 0.00 C ATOM 545 O ALA A 69 -10.791 10.635 -16.655 1.00 0.00 O ATOM 546 CB ALA A 69 -9.970 10.637 -13.367 1.00 0.00 C ATOM 0 H ALA A 69 -7.953 9.383 -13.637 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.573 9.058 -14.747 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.947 11.119 -13.382 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.900 9.986 -12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.191 11.398 -13.315 1.00 0.00 H new ATOM 552 N GLN A 70 -8.874 11.536 -16.077 1.00 0.00 N ATOM 553 CA GLN A 70 -8.881 12.433 -17.270 1.00 0.00 C ATOM 554 C GLN A 70 -8.639 11.619 -18.545 1.00 0.00 C ATOM 555 O GLN A 70 -9.077 11.984 -19.619 1.00 0.00 O ATOM 556 CB GLN A 70 -7.728 13.413 -17.039 1.00 0.00 C ATOM 557 CG GLN A 70 -7.971 14.214 -15.761 1.00 0.00 C ATOM 558 CD GLN A 70 -9.383 14.790 -15.786 1.00 0.00 C ATOM 559 OE1 GLN A 70 -9.575 15.958 -16.064 1.00 0.00 O ATOM 560 NE2 GLN A 70 -10.388 14.012 -15.504 1.00 0.00 N ATOM 0 H GLN A 70 -8.065 11.636 -15.463 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.835 12.946 -17.393 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.787 12.869 -16.963 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.638 14.088 -17.890 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.843 13.574 -14.888 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.240 15.018 -15.678 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.225 13.032 -15.271 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.338 14.382 -15.516 1.00 0.00 H new ATOM 569 N TYR A 71 -7.944 10.520 -18.436 1.00 0.00 N ATOM 570 CA TYR A 71 -7.673 9.683 -19.642 1.00 0.00 C ATOM 571 C TYR A 71 -8.596 8.461 -19.655 1.00 0.00 C ATOM 572 O TYR A 71 -8.428 7.555 -20.448 1.00 0.00 O ATOM 573 CB TYR A 71 -6.215 9.233 -19.500 1.00 0.00 C ATOM 574 CG TYR A 71 -5.272 10.401 -19.702 1.00 0.00 C ATOM 575 CD1 TYR A 71 -5.772 11.687 -19.948 1.00 0.00 C ATOM 576 CD2 TYR A 71 -3.888 10.191 -19.641 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.889 12.758 -20.130 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.006 11.261 -19.823 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.506 12.546 -20.067 1.00 0.00 C ATOM 580 OH TYR A 71 -2.635 13.602 -20.246 1.00 0.00 O ATOM 0 H TYR A 71 -7.551 10.164 -17.564 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.846 10.233 -20.567 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.058 8.799 -18.513 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.997 8.453 -20.230 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.838 11.852 -19.997 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.501 9.200 -19.453 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -5.275 13.749 -20.319 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.940 11.096 -19.775 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.712 13.281 -20.170 1.00 0.00 H new ATOM 590 N SER A 72 -9.561 8.422 -18.777 1.00 0.00 N ATOM 591 CA SER A 72 -10.481 7.249 -18.732 1.00 0.00 C ATOM 592 C SER A 72 -11.541 7.340 -19.834 1.00 0.00 C ATOM 593 O SER A 72 -12.625 7.846 -19.624 1.00 0.00 O ATOM 594 CB SER A 72 -11.138 7.312 -17.352 1.00 0.00 C ATOM 595 OG SER A 72 -12.055 6.233 -17.220 1.00 0.00 O ATOM 0 H SER A 72 -9.752 9.151 -18.089 1.00 0.00 H new ATOM 0 HA SER A 72 -9.948 6.312 -18.893 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.379 7.257 -16.572 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.656 8.263 -17.226 1.00 0.00 H new ATOM 0 HG SER A 72 -12.477 6.269 -16.336 1.00 0.00 H new ATOM 601 N GLU A 73 -11.246 6.832 -21.000 1.00 0.00 N ATOM 602 CA GLU A 73 -12.248 6.869 -22.102 1.00 0.00 C ATOM 603 C GLU A 73 -12.856 5.474 -22.277 1.00 0.00 C ATOM 604 O GLU A 73 -13.600 5.216 -23.203 1.00 0.00 O ATOM 605 CB GLU A 73 -11.462 7.278 -23.350 1.00 0.00 C ATOM 606 CG GLU A 73 -11.091 8.761 -23.262 1.00 0.00 C ATOM 607 CD GLU A 73 -12.366 9.602 -23.182 1.00 0.00 C ATOM 608 OE1 GLU A 73 -13.143 9.555 -24.123 1.00 0.00 O ATOM 609 OE2 GLU A 73 -12.544 10.279 -22.183 1.00 0.00 O ATOM 0 H GLU A 73 -10.356 6.394 -21.236 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.066 7.562 -21.905 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.560 6.672 -23.439 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.058 7.095 -24.244 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.469 8.940 -22.385 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.504 9.052 -24.133 1.00 0.00 H new ATOM 616 N ASP A 74 -12.540 4.573 -21.384 1.00 0.00 N ATOM 617 CA ASP A 74 -13.085 3.191 -21.482 1.00 0.00 C ATOM 618 C ASP A 74 -13.643 2.750 -20.123 1.00 0.00 C ATOM 619 O ASP A 74 -13.469 1.623 -19.707 1.00 0.00 O ATOM 620 CB ASP A 74 -11.885 2.325 -21.880 1.00 0.00 C ATOM 621 CG ASP A 74 -10.785 2.452 -20.825 1.00 0.00 C ATOM 622 OD1 ASP A 74 -11.082 2.924 -19.739 1.00 0.00 O ATOM 623 OD2 ASP A 74 -9.664 2.073 -21.120 1.00 0.00 O ATOM 0 H ASP A 74 -11.924 4.738 -20.588 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.901 3.112 -22.201 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -12.192 1.283 -21.976 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -11.506 2.637 -22.853 1.00 0.00 H new ATOM 628 N LYS A 75 -14.310 3.634 -19.428 1.00 0.00 N ATOM 629 CA LYS A 75 -14.875 3.263 -18.098 1.00 0.00 C ATOM 630 C LYS A 75 -15.952 2.188 -18.267 1.00 0.00 C ATOM 631 O LYS A 75 -16.003 1.225 -17.529 1.00 0.00 O ATOM 632 CB LYS A 75 -15.485 4.557 -17.549 1.00 0.00 C ATOM 633 CG LYS A 75 -15.978 4.329 -16.117 1.00 0.00 C ATOM 634 CD LYS A 75 -16.386 5.669 -15.499 1.00 0.00 C ATOM 635 CE LYS A 75 -17.546 5.455 -14.522 1.00 0.00 C ATOM 636 NZ LYS A 75 -16.975 4.639 -13.415 1.00 0.00 N ATOM 0 H LYS A 75 -14.487 4.594 -19.723 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.120 2.855 -17.426 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.743 5.356 -17.566 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -16.313 4.877 -18.182 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.825 3.643 -16.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.193 3.865 -15.520 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.538 6.114 -14.979 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.682 6.367 -16.282 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.931 6.406 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.377 4.940 -15.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.593 4.705 -12.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.905 3.646 -13.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.028 4.995 -13.174 1.00 0.00 H new ATOM 650 N ALA A 76 -16.812 2.346 -19.236 1.00 0.00 N ATOM 651 CA ALA A 76 -17.886 1.334 -19.455 1.00 0.00 C ATOM 652 C ALA A 76 -17.282 0.010 -19.931 1.00 0.00 C ATOM 653 O ALA A 76 -17.586 -1.044 -19.409 1.00 0.00 O ATOM 654 CB ALA A 76 -18.784 1.934 -20.538 1.00 0.00 C ATOM 0 H ALA A 76 -16.818 3.132 -19.886 1.00 0.00 H new ATOM 0 HA ALA A 76 -18.439 1.118 -18.541 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.601 1.246 -20.756 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -19.192 2.882 -20.188 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -18.200 2.102 -21.443 1.00 0.00 H new ATOM 660 N ARG A 77 -16.430 0.054 -20.920 1.00 0.00 N ATOM 661 CA ARG A 77 -15.811 -1.207 -21.425 1.00 0.00 C ATOM 662 C ARG A 77 -14.742 -1.700 -20.445 1.00 0.00 C ATOM 663 O ARG A 77 -14.536 -2.885 -20.282 1.00 0.00 O ATOM 664 CB ARG A 77 -15.179 -0.833 -22.767 1.00 0.00 C ATOM 665 CG ARG A 77 -14.566 -2.081 -23.407 1.00 0.00 C ATOM 666 CD ARG A 77 -14.210 -1.783 -24.866 1.00 0.00 C ATOM 667 NE ARG A 77 -14.415 -3.072 -25.583 1.00 0.00 N ATOM 668 CZ ARG A 77 -13.777 -3.307 -26.697 1.00 0.00 C ATOM 669 NH1 ARG A 77 -12.521 -2.971 -26.816 1.00 0.00 N ATOM 670 NH2 ARG A 77 -14.395 -3.878 -27.696 1.00 0.00 N ATOM 0 H ARG A 77 -16.136 0.905 -21.399 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.540 -2.010 -21.531 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.932 -0.404 -23.429 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.412 -0.072 -22.621 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.674 -2.384 -22.858 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -15.269 -2.912 -23.355 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.846 -0.998 -25.275 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -13.180 -1.439 -24.959 1.00 0.00 H new ATOM 0 HE ARG A 77 -15.054 -3.771 -25.204 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -12.037 -2.524 -26.038 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.024 -3.156 -27.687 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -15.377 -4.140 -27.606 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -13.896 -4.062 -28.567 1.00 0.00 H new ATOM 684 N GLN A 78 -14.064 -0.796 -19.789 1.00 0.00 N ATOM 685 CA GLN A 78 -13.011 -1.212 -18.816 1.00 0.00 C ATOM 686 C GLN A 78 -13.110 -0.364 -17.543 1.00 0.00 C ATOM 687 O GLN A 78 -13.644 0.727 -17.553 1.00 0.00 O ATOM 688 CB GLN A 78 -11.682 -0.955 -19.528 1.00 0.00 C ATOM 689 CG GLN A 78 -11.590 -1.836 -20.774 1.00 0.00 C ATOM 690 CD GLN A 78 -10.301 -1.515 -21.533 1.00 0.00 C ATOM 691 OE1 GLN A 78 -9.225 -1.900 -21.116 1.00 0.00 O ATOM 692 NE2 GLN A 78 -10.362 -0.821 -22.637 1.00 0.00 N ATOM 0 H GLN A 78 -14.193 0.211 -19.884 1.00 0.00 H new ATOM 0 HA GLN A 78 -13.114 -2.255 -18.517 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.604 0.096 -19.807 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -10.851 -1.169 -18.856 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -11.605 -2.888 -20.490 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.454 -1.667 -21.416 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -11.264 -0.498 -22.987 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -9.508 -0.602 -23.149 1.00 0.00 H new ATOM 701 N GLY A 79 -12.602 -0.859 -16.447 1.00 0.00 N ATOM 702 CA GLY A 79 -12.671 -0.084 -15.177 1.00 0.00 C ATOM 703 C GLY A 79 -11.280 0.443 -14.819 1.00 0.00 C ATOM 704 O GLY A 79 -11.032 0.865 -13.706 1.00 0.00 O ATOM 0 H GLY A 79 -12.142 -1.767 -16.377 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.369 0.747 -15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.049 -0.716 -14.374 1.00 0.00 H new ATOM 708 N GLY A 80 -10.366 0.420 -15.751 1.00 0.00 N ATOM 709 CA GLY A 80 -8.994 0.915 -15.457 1.00 0.00 C ATOM 710 C GLY A 80 -8.108 -0.269 -15.071 1.00 0.00 C ATOM 711 O GLY A 80 -6.985 -0.392 -15.518 1.00 0.00 O ATOM 0 H GLY A 80 -10.511 0.080 -16.702 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.583 1.424 -16.329 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.023 1.643 -14.647 1.00 0.00 H new ATOM 715 N ASP A 81 -8.609 -1.146 -14.245 1.00 0.00 N ATOM 716 CA ASP A 81 -7.797 -2.322 -13.834 1.00 0.00 C ATOM 717 C ASP A 81 -8.515 -3.621 -14.209 1.00 0.00 C ATOM 718 O ASP A 81 -9.709 -3.759 -14.023 1.00 0.00 O ATOM 719 CB ASP A 81 -7.666 -2.206 -12.314 1.00 0.00 C ATOM 720 CG ASP A 81 -9.050 -2.323 -11.674 1.00 0.00 C ATOM 721 OD1 ASP A 81 -10.024 -2.103 -12.374 1.00 0.00 O ATOM 722 OD2 ASP A 81 -9.113 -2.630 -10.494 1.00 0.00 O ATOM 0 H ASP A 81 -9.543 -1.098 -13.839 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.825 -2.341 -14.328 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.010 -2.989 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.210 -1.252 -12.049 1.00 0.00 H new ATOM 727 N LEU A 82 -7.793 -4.576 -14.725 1.00 0.00 N ATOM 728 CA LEU A 82 -8.432 -5.874 -15.098 1.00 0.00 C ATOM 729 C LEU A 82 -8.079 -6.944 -14.060 1.00 0.00 C ATOM 730 O LEU A 82 -8.631 -8.026 -14.054 1.00 0.00 O ATOM 731 CB LEU A 82 -7.884 -6.252 -16.485 1.00 0.00 C ATOM 732 CG LEU A 82 -6.412 -5.850 -16.614 1.00 0.00 C ATOM 733 CD1 LEU A 82 -5.680 -6.866 -17.489 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.322 -4.464 -17.262 1.00 0.00 C ATOM 0 H LEU A 82 -6.791 -4.517 -14.905 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.519 -5.793 -15.126 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.988 -7.326 -16.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.470 -5.758 -17.260 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.953 -5.825 -15.626 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.632 -6.579 -17.581 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.748 -7.854 -17.034 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.137 -6.891 -18.478 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.276 -4.174 -17.356 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.780 -4.494 -18.250 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.846 -3.737 -16.641 1.00 0.00 H new ATOM 746 N GLY A 83 -7.174 -6.639 -13.167 1.00 0.00 N ATOM 747 CA GLY A 83 -6.795 -7.625 -12.113 1.00 0.00 C ATOM 748 C GLY A 83 -5.848 -8.682 -12.684 1.00 0.00 C ATOM 749 O GLY A 83 -5.001 -8.393 -13.508 1.00 0.00 O ATOM 0 H GLY A 83 -6.680 -5.748 -13.122 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -6.315 -7.110 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.690 -8.106 -11.718 1.00 0.00 H new ATOM 753 N TRP A 84 -5.979 -9.905 -12.235 1.00 0.00 N ATOM 754 CA TRP A 84 -5.080 -10.990 -12.728 1.00 0.00 C ATOM 755 C TRP A 84 -5.536 -11.513 -14.090 1.00 0.00 C ATOM 756 O TRP A 84 -6.712 -11.691 -14.342 1.00 0.00 O ATOM 757 CB TRP A 84 -5.192 -12.108 -11.691 1.00 0.00 C ATOM 758 CG TRP A 84 -4.575 -11.673 -10.403 1.00 0.00 C ATOM 759 CD1 TRP A 84 -5.215 -10.987 -9.429 1.00 0.00 C ATOM 760 CD2 TRP A 84 -3.215 -11.889 -9.928 1.00 0.00 C ATOM 761 NE1 TRP A 84 -4.334 -10.764 -8.387 1.00 0.00 N ATOM 762 CE2 TRP A 84 -3.088 -11.303 -8.647 1.00 0.00 C ATOM 763 CE3 TRP A 84 -2.090 -12.531 -10.477 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -1.889 -11.348 -7.937 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -0.881 -12.580 -9.766 1.00 0.00 C ATOM 766 CH2 TRP A 84 -0.781 -11.991 -8.498 1.00 0.00 C ATOM 0 H TRP A 84 -6.672 -10.198 -11.546 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.060 -10.627 -12.851 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.239 -12.366 -11.533 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -4.695 -13.006 -12.057 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -6.246 -10.666 -9.460 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.574 -10.263 -7.531 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.157 -12.989 -11.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -1.816 -10.890 -6.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.023 -13.074 -10.198 1.00 0.00 H new ATOM 0 HH2 TRP A 84 0.151 -12.034 -7.954 1.00 0.00 H new ATOM 777 N MET A 85 -4.603 -11.787 -14.957 1.00 0.00 N ATOM 778 CA MET A 85 -4.950 -12.330 -16.299 1.00 0.00 C ATOM 779 C MET A 85 -4.067 -13.547 -16.593 1.00 0.00 C ATOM 780 O MET A 85 -2.864 -13.432 -16.717 1.00 0.00 O ATOM 781 CB MET A 85 -4.648 -11.203 -17.288 1.00 0.00 C ATOM 782 CG MET A 85 -5.349 -9.919 -16.842 1.00 0.00 C ATOM 783 SD MET A 85 -7.120 -10.236 -16.626 1.00 0.00 S ATOM 784 CE MET A 85 -7.425 -10.960 -18.256 1.00 0.00 C ATOM 0 H MET A 85 -3.605 -11.657 -14.792 1.00 0.00 H new ATOM 0 HA MET A 85 -5.991 -12.648 -16.364 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.572 -11.038 -17.348 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.984 -11.483 -18.286 1.00 0.00 H new ATOM 0 HG2 MET A 85 -4.917 -9.563 -15.907 1.00 0.00 H new ATOM 0 HG3 MET A 85 -5.198 -9.134 -17.583 1.00 0.00 H new ATOM 0 HE1 MET A 85 -8.484 -10.875 -18.499 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.837 -10.430 -19.005 1.00 0.00 H new ATOM 0 HE3 MET A 85 -7.138 -12.012 -18.247 1.00 0.00 H new ATOM 794 N THR A 86 -4.645 -14.713 -16.698 1.00 0.00 N ATOM 795 CA THR A 86 -3.820 -15.924 -16.980 1.00 0.00 C ATOM 796 C THR A 86 -3.382 -15.926 -18.447 1.00 0.00 C ATOM 797 O THR A 86 -2.246 -16.214 -18.768 1.00 0.00 O ATOM 798 CB THR A 86 -4.735 -17.116 -16.695 1.00 0.00 C ATOM 799 OG1 THR A 86 -5.803 -17.126 -17.632 1.00 0.00 O ATOM 800 CG2 THR A 86 -5.299 -17.004 -15.279 1.00 0.00 C ATOM 0 H THR A 86 -5.647 -14.880 -16.602 1.00 0.00 H new ATOM 0 HA THR A 86 -2.916 -15.956 -16.371 1.00 0.00 H new ATOM 0 HB THR A 86 -4.164 -18.040 -16.783 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.389 -17.890 -17.452 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.951 -17.855 -15.079 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.479 -16.997 -14.560 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.870 -16.080 -15.187 1.00 0.00 H new ATOM 808 N ARG A 87 -4.277 -15.603 -19.337 1.00 0.00 N ATOM 809 CA ARG A 87 -3.918 -15.580 -20.784 1.00 0.00 C ATOM 810 C ARG A 87 -3.832 -14.133 -21.280 1.00 0.00 C ATOM 811 O ARG A 87 -2.789 -13.671 -21.699 1.00 0.00 O ATOM 812 CB ARG A 87 -5.055 -16.322 -21.486 1.00 0.00 C ATOM 813 CG ARG A 87 -4.916 -17.825 -21.235 1.00 0.00 C ATOM 814 CD ARG A 87 -6.107 -18.558 -21.855 1.00 0.00 C ATOM 815 NE ARG A 87 -6.539 -19.535 -20.817 1.00 0.00 N ATOM 816 CZ ARG A 87 -7.053 -20.679 -21.172 1.00 0.00 C ATOM 817 NH1 ARG A 87 -7.966 -20.722 -22.103 1.00 0.00 N ATOM 818 NH2 ARG A 87 -6.653 -21.781 -20.598 1.00 0.00 N ATOM 0 H ARG A 87 -5.243 -15.353 -19.126 1.00 0.00 H new ATOM 0 HA ARG A 87 -2.950 -16.042 -20.979 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.017 -15.968 -21.116 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.031 -16.118 -22.556 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.985 -18.192 -21.667 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.871 -18.023 -20.164 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.911 -17.865 -22.104 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.823 -19.063 -22.779 1.00 0.00 H new ATOM 0 HE ARG A 87 -6.433 -19.309 -19.828 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.277 -19.861 -22.552 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.369 -21.617 -22.381 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.938 -21.747 -19.871 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.055 -22.676 -20.876 1.00 0.00 H new ATOM 832 N GLY A 88 -4.922 -13.417 -21.234 1.00 0.00 N ATOM 833 CA GLY A 88 -4.907 -12.002 -21.702 1.00 0.00 C ATOM 834 C GLY A 88 -5.235 -11.956 -23.195 1.00 0.00 C ATOM 835 O GLY A 88 -4.459 -12.388 -24.024 1.00 0.00 O ATOM 0 H GLY A 88 -5.823 -13.751 -20.892 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.633 -11.414 -21.141 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.928 -11.558 -21.520 1.00 0.00 H new ATOM 839 N SER A 89 -6.380 -11.436 -23.546 1.00 0.00 N ATOM 840 CA SER A 89 -6.751 -11.362 -24.989 1.00 0.00 C ATOM 841 C SER A 89 -7.485 -10.052 -25.283 1.00 0.00 C ATOM 842 O SER A 89 -8.699 -9.992 -25.264 1.00 0.00 O ATOM 843 CB SER A 89 -7.674 -12.559 -25.223 1.00 0.00 C ATOM 844 OG SER A 89 -7.135 -13.703 -24.573 1.00 0.00 O ATOM 0 H SER A 89 -7.073 -11.060 -22.899 1.00 0.00 H new ATOM 0 HA SER A 89 -5.877 -11.387 -25.640 1.00 0.00 H new ATOM 0 HB2 SER A 89 -8.671 -12.344 -24.839 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.778 -12.749 -26.291 1.00 0.00 H new ATOM 0 HG SER A 89 -7.725 -14.471 -24.720 1.00 0.00 H new ATOM 850 N MET A 90 -6.760 -9.004 -25.560 1.00 0.00 N ATOM 851 CA MET A 90 -7.415 -7.701 -25.861 1.00 0.00 C ATOM 852 C MET A 90 -7.001 -7.213 -27.252 1.00 0.00 C ATOM 853 O MET A 90 -7.788 -6.647 -27.983 1.00 0.00 O ATOM 854 CB MET A 90 -6.911 -6.741 -24.783 1.00 0.00 C ATOM 855 CG MET A 90 -7.580 -7.073 -23.448 1.00 0.00 C ATOM 856 SD MET A 90 -7.088 -5.852 -22.207 1.00 0.00 S ATOM 857 CE MET A 90 -8.272 -6.343 -20.930 1.00 0.00 C ATOM 0 H MET A 90 -5.741 -8.994 -25.591 1.00 0.00 H new ATOM 0 HA MET A 90 -8.502 -7.776 -25.860 1.00 0.00 H new ATOM 0 HB2 MET A 90 -5.828 -6.820 -24.688 1.00 0.00 H new ATOM 0 HB3 MET A 90 -7.132 -5.712 -25.066 1.00 0.00 H new ATOM 0 HG2 MET A 90 -8.664 -7.074 -23.563 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.292 -8.073 -23.124 1.00 0.00 H new ATOM 0 HE1 MET A 90 -8.145 -5.708 -20.053 1.00 0.00 H new ATOM 0 HE2 MET A 90 -9.287 -6.234 -21.313 1.00 0.00 H new ATOM 0 HE3 MET A 90 -8.099 -7.383 -20.654 1.00 0.00 H new ATOM 867 N VAL A 91 -5.770 -7.434 -27.624 1.00 0.00 N ATOM 868 CA VAL A 91 -5.304 -6.985 -28.970 1.00 0.00 C ATOM 869 C VAL A 91 -4.138 -7.857 -29.442 1.00 0.00 C ATOM 870 O VAL A 91 -4.327 -8.853 -30.113 1.00 0.00 O ATOM 871 CB VAL A 91 -4.847 -5.527 -28.807 1.00 0.00 C ATOM 872 CG1 VAL A 91 -6.009 -4.588 -29.136 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.379 -5.268 -27.371 1.00 0.00 C ATOM 0 H VAL A 91 -5.066 -7.905 -27.056 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.098 -7.068 -29.712 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.016 -5.343 -29.488 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.685 -3.554 -29.020 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.332 -4.754 -30.164 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.840 -4.786 -28.459 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.059 -4.231 -27.274 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.200 -5.461 -26.680 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.544 -5.929 -27.136 1.00 0.00 H new ATOM 883 N GLY A 92 -2.932 -7.493 -29.099 1.00 0.00 N ATOM 884 CA GLY A 92 -1.762 -8.305 -29.532 1.00 0.00 C ATOM 885 C GLY A 92 -0.500 -7.818 -28.820 1.00 0.00 C ATOM 886 O GLY A 92 0.043 -8.506 -27.981 1.00 0.00 O ATOM 0 H GLY A 92 -2.708 -6.670 -28.539 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.935 -9.357 -29.306 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.634 -8.228 -30.612 1.00 0.00 H new ATOM 890 N PRO A 93 -0.071 -6.641 -29.184 1.00 0.00 N ATOM 891 CA PRO A 93 1.148 -6.054 -28.576 1.00 0.00 C ATOM 892 C PRO A 93 0.881 -5.642 -27.127 1.00 0.00 C ATOM 893 O PRO A 93 1.722 -5.794 -26.263 1.00 0.00 O ATOM 894 CB PRO A 93 1.431 -4.834 -29.449 1.00 0.00 C ATOM 895 CG PRO A 93 0.109 -4.471 -30.044 1.00 0.00 C ATOM 896 CD PRO A 93 -0.676 -5.750 -30.180 1.00 0.00 C ATOM 0 HA PRO A 93 1.986 -6.750 -28.540 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.838 -4.012 -28.860 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.163 -5.064 -30.223 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.418 -3.760 -29.408 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.241 -3.994 -31.015 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -1.736 -5.591 -29.983 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -0.597 -6.163 -31.186 1.00 0.00 H new ATOM 904 N PHE A 94 -0.285 -5.128 -26.851 1.00 0.00 N ATOM 905 CA PHE A 94 -0.602 -4.714 -25.456 1.00 0.00 C ATOM 906 C PHE A 94 -0.528 -5.924 -24.520 1.00 0.00 C ATOM 907 O PHE A 94 0.111 -5.884 -23.487 1.00 0.00 O ATOM 908 CB PHE A 94 -2.031 -4.177 -25.518 1.00 0.00 C ATOM 909 CG PHE A 94 -2.408 -3.602 -24.175 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.141 -2.259 -23.888 1.00 0.00 C ATOM 911 CD2 PHE A 94 -3.024 -4.415 -23.216 1.00 0.00 C ATOM 912 CE1 PHE A 94 -2.488 -1.728 -22.641 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.373 -3.884 -21.969 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.105 -2.541 -21.681 1.00 0.00 C ATOM 0 H PHE A 94 -1.031 -4.977 -27.530 1.00 0.00 H new ATOM 0 HA PHE A 94 0.098 -3.970 -25.076 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -2.110 -3.411 -26.289 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.720 -4.976 -25.790 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -1.667 -1.632 -24.629 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.230 -5.452 -23.438 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -2.280 -0.692 -22.418 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.849 -4.511 -21.229 1.00 0.00 H new ATOM 0 HZ PHE A 94 -3.374 -2.131 -20.719 1.00 0.00 H new ATOM 924 N GLN A 95 -1.177 -6.997 -24.878 1.00 0.00 N ATOM 925 CA GLN A 95 -1.147 -8.210 -24.012 1.00 0.00 C ATOM 926 C GLN A 95 0.211 -8.908 -24.131 1.00 0.00 C ATOM 927 O GLN A 95 0.887 -9.139 -23.147 1.00 0.00 O ATOM 928 CB GLN A 95 -2.261 -9.111 -24.546 1.00 0.00 C ATOM 929 CG GLN A 95 -2.395 -10.343 -23.649 1.00 0.00 C ATOM 930 CD GLN A 95 -1.868 -11.575 -24.388 1.00 0.00 C ATOM 931 OE1 GLN A 95 -1.307 -11.461 -25.460 1.00 0.00 O ATOM 932 NE2 GLN A 95 -2.029 -12.757 -23.858 1.00 0.00 N ATOM 0 H GLN A 95 -1.727 -7.087 -25.732 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.291 -7.968 -22.959 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.203 -8.564 -24.574 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.038 -9.415 -25.569 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.837 -10.195 -22.724 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -3.439 -10.492 -23.371 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.500 -12.853 -22.958 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.684 -13.585 -24.344 1.00 0.00 H new ATOM 941 N GLU A 96 0.614 -9.245 -25.328 1.00 0.00 N ATOM 942 CA GLU A 96 1.928 -9.926 -25.507 1.00 0.00 C ATOM 943 C GLU A 96 2.982 -9.273 -24.612 1.00 0.00 C ATOM 944 O GLU A 96 3.739 -9.943 -23.939 1.00 0.00 O ATOM 945 CB GLU A 96 2.282 -9.733 -26.982 1.00 0.00 C ATOM 946 CG GLU A 96 3.464 -10.632 -27.350 1.00 0.00 C ATOM 947 CD GLU A 96 2.965 -12.061 -27.571 1.00 0.00 C ATOM 948 OE1 GLU A 96 2.099 -12.487 -26.825 1.00 0.00 O ATOM 949 OE2 GLU A 96 3.458 -12.704 -28.483 1.00 0.00 O ATOM 0 H GLU A 96 0.090 -9.078 -26.187 1.00 0.00 H new ATOM 0 HA GLU A 96 1.887 -10.981 -25.236 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.422 -9.973 -27.607 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.533 -8.690 -27.172 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.950 -10.261 -28.252 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.210 -10.614 -26.556 1.00 0.00 H new ATOM 956 N ALA A 97 3.031 -7.969 -24.593 1.00 0.00 N ATOM 957 CA ALA A 97 4.031 -7.277 -23.732 1.00 0.00 C ATOM 958 C ALA A 97 3.675 -7.486 -22.259 1.00 0.00 C ATOM 959 O ALA A 97 4.532 -7.695 -21.425 1.00 0.00 O ATOM 960 CB ALA A 97 3.926 -5.797 -24.104 1.00 0.00 C ATOM 0 H ALA A 97 2.424 -7.354 -25.135 1.00 0.00 H new ATOM 0 HA ALA A 97 5.042 -7.658 -23.879 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.635 -5.221 -23.509 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.154 -5.671 -25.162 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.914 -5.443 -23.906 1.00 0.00 H new ATOM 966 N ALA A 98 2.410 -7.437 -21.937 1.00 0.00 N ATOM 967 CA ALA A 98 1.990 -7.638 -20.522 1.00 0.00 C ATOM 968 C ALA A 98 2.517 -8.981 -20.002 1.00 0.00 C ATOM 969 O ALA A 98 2.977 -9.087 -18.883 1.00 0.00 O ATOM 970 CB ALA A 98 0.461 -7.641 -20.563 1.00 0.00 C ATOM 0 H ALA A 98 1.649 -7.266 -22.595 1.00 0.00 H new ATOM 0 HA ALA A 98 2.379 -6.865 -19.859 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.070 -7.785 -19.556 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.106 -6.689 -20.958 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.116 -8.451 -21.205 1.00 0.00 H new ATOM 976 N PHE A 99 2.453 -10.006 -20.810 1.00 0.00 N ATOM 977 CA PHE A 99 2.952 -11.342 -20.366 1.00 0.00 C ATOM 978 C PHE A 99 4.437 -11.490 -20.706 1.00 0.00 C ATOM 979 O PHE A 99 5.072 -12.463 -20.350 1.00 0.00 O ATOM 980 CB PHE A 99 2.125 -12.357 -21.157 1.00 0.00 C ATOM 981 CG PHE A 99 0.793 -12.572 -20.479 1.00 0.00 C ATOM 982 CD1 PHE A 99 -0.290 -11.738 -20.786 1.00 0.00 C ATOM 983 CD2 PHE A 99 0.638 -13.608 -19.549 1.00 0.00 C ATOM 984 CE1 PHE A 99 -1.526 -11.940 -20.162 1.00 0.00 C ATOM 985 CE2 PHE A 99 -0.600 -13.810 -18.928 1.00 0.00 C ATOM 986 CZ PHE A 99 -1.681 -12.975 -19.234 1.00 0.00 C ATOM 0 H PHE A 99 2.077 -9.977 -21.758 1.00 0.00 H new ATOM 0 HA PHE A 99 2.853 -11.481 -19.290 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.971 -12.000 -22.175 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.664 -13.302 -21.228 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.171 -10.940 -21.504 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.473 -14.250 -19.311 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.361 -11.296 -20.397 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.721 -14.610 -18.213 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.636 -13.130 -18.753 1.00 0.00 H new ATOM 996 N ALA A 100 4.994 -10.533 -21.397 1.00 0.00 N ATOM 997 CA ALA A 100 6.437 -10.624 -21.767 1.00 0.00 C ATOM 998 C ALA A 100 7.228 -9.490 -21.107 1.00 0.00 C ATOM 999 O ALA A 100 8.388 -9.279 -21.398 1.00 0.00 O ATOM 1000 CB ALA A 100 6.463 -10.483 -23.289 1.00 0.00 C ATOM 0 H ALA A 100 4.514 -9.693 -21.721 1.00 0.00 H new ATOM 0 HA ALA A 100 6.890 -11.558 -21.436 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.493 -10.540 -23.642 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.880 -11.287 -23.739 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.034 -9.522 -23.573 1.00 0.00 H new ATOM 1006 N LEU A 101 6.607 -8.759 -20.223 1.00 0.00 N ATOM 1007 CA LEU A 101 7.321 -7.640 -19.543 1.00 0.00 C ATOM 1008 C LEU A 101 8.630 -8.146 -18.926 1.00 0.00 C ATOM 1009 O LEU A 101 8.633 -9.107 -18.184 1.00 0.00 O ATOM 1010 CB LEU A 101 6.358 -7.169 -18.453 1.00 0.00 C ATOM 1011 CG LEU A 101 7.019 -6.068 -17.622 1.00 0.00 C ATOM 1012 CD1 LEU A 101 7.225 -4.826 -18.491 1.00 0.00 C ATOM 1013 CD2 LEU A 101 6.116 -5.713 -16.440 1.00 0.00 C ATOM 0 H LEU A 101 5.635 -8.888 -19.941 1.00 0.00 H new ATOM 0 HA LEU A 101 7.586 -6.836 -20.230 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.438 -6.796 -18.903 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.082 -8.006 -17.812 1.00 0.00 H new ATOM 0 HG LEU A 101 7.983 -6.420 -17.255 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.696 -4.042 -17.899 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.865 -5.076 -19.337 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.261 -4.474 -18.857 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.585 -4.928 -15.846 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.153 -5.361 -16.811 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.965 -6.596 -15.819 1.00 0.00 H new ATOM 1138 N VAL A 110 6.837 -0.714 -12.572 1.00 0.00 N ATOM 1139 CA VAL A 110 5.586 0.036 -12.256 1.00 0.00 C ATOM 1140 C VAL A 110 4.814 0.340 -13.548 1.00 0.00 C ATOM 1141 O VAL A 110 3.832 -0.306 -13.859 1.00 0.00 O ATOM 1142 CB VAL A 110 6.027 1.339 -11.571 1.00 0.00 C ATOM 1143 CG1 VAL A 110 6.109 1.115 -10.059 1.00 0.00 C ATOM 1144 CG2 VAL A 110 7.401 1.786 -12.090 1.00 0.00 C ATOM 0 HA VAL A 110 4.924 -0.542 -11.610 1.00 0.00 H new ATOM 0 HB VAL A 110 5.296 2.116 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.422 2.038 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.130 0.818 -9.682 1.00 0.00 H new ATOM 0 HG13 VAL A 110 6.833 0.329 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.695 2.710 -11.592 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.139 1.011 -11.881 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.346 1.954 -13.166 1.00 0.00 H new ATOM 1154 N PHE A 111 5.248 1.317 -14.299 1.00 0.00 N ATOM 1155 CA PHE A 111 4.538 1.661 -15.568 1.00 0.00 C ATOM 1156 C PHE A 111 5.353 1.200 -16.778 1.00 0.00 C ATOM 1157 O PHE A 111 6.568 1.221 -16.763 1.00 0.00 O ATOM 1158 CB PHE A 111 4.447 3.188 -15.568 1.00 0.00 C ATOM 1159 CG PHE A 111 3.524 3.654 -14.470 1.00 0.00 C ATOM 1160 CD1 PHE A 111 2.145 3.445 -14.576 1.00 0.00 C ATOM 1161 CD2 PHE A 111 4.051 4.303 -13.348 1.00 0.00 C ATOM 1162 CE1 PHE A 111 1.292 3.886 -13.558 1.00 0.00 C ATOM 1163 CE2 PHE A 111 3.199 4.743 -12.329 1.00 0.00 C ATOM 1164 CZ PHE A 111 1.819 4.534 -12.434 1.00 0.00 C ATOM 0 H PHE A 111 6.064 1.893 -14.089 1.00 0.00 H new ATOM 0 HA PHE A 111 3.562 1.180 -15.628 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.438 3.619 -15.427 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.082 3.538 -16.533 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.739 2.944 -15.442 1.00 0.00 H new ATOM 0 HD2 PHE A 111 5.116 4.464 -13.268 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.227 3.727 -13.639 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.606 5.243 -11.463 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.160 4.873 -11.648 1.00 0.00 H new ATOM 1174 N THR A 112 4.700 0.805 -17.838 1.00 0.00 N ATOM 1175 CA THR A 112 5.455 0.376 -19.051 1.00 0.00 C ATOM 1176 C THR A 112 6.073 1.608 -19.717 1.00 0.00 C ATOM 1177 O THR A 112 5.484 2.204 -20.594 1.00 0.00 O ATOM 1178 CB THR A 112 4.419 -0.259 -19.979 1.00 0.00 C ATOM 1179 OG1 THR A 112 3.263 0.568 -20.038 1.00 0.00 O ATOM 1180 CG2 THR A 112 4.039 -1.643 -19.453 1.00 0.00 C ATOM 0 H THR A 112 3.684 0.761 -17.917 1.00 0.00 H new ATOM 0 HA THR A 112 6.259 -0.322 -18.815 1.00 0.00 H new ATOM 0 HB THR A 112 4.841 -0.359 -20.979 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.511 1.454 -20.376 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.300 -2.094 -20.116 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.927 -2.274 -19.416 1.00 0.00 H new ATOM 0 HG23 THR A 112 3.618 -1.549 -18.452 1.00 0.00 H new ATOM 1188 N ASP A 113 7.244 2.004 -19.300 1.00 0.00 N ATOM 1189 CA ASP A 113 7.877 3.208 -19.909 1.00 0.00 C ATOM 1190 C ASP A 113 8.929 2.793 -20.950 1.00 0.00 C ATOM 1191 O ASP A 113 9.824 2.031 -20.641 1.00 0.00 O ATOM 1192 CB ASP A 113 8.540 3.940 -18.742 1.00 0.00 C ATOM 1193 CG ASP A 113 7.464 4.490 -17.804 1.00 0.00 C ATOM 1194 OD1 ASP A 113 6.305 4.464 -18.184 1.00 0.00 O ATOM 1195 OD2 ASP A 113 7.818 4.930 -16.722 1.00 0.00 O ATOM 0 H ASP A 113 7.788 1.548 -18.567 1.00 0.00 H new ATOM 0 HA ASP A 113 7.151 3.835 -20.427 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.197 3.260 -18.199 1.00 0.00 H new ATOM 0 HB3 ASP A 113 9.162 4.754 -19.116 1.00 0.00 H new ATOM 1200 N PRO A 114 8.798 3.304 -22.153 1.00 0.00 N ATOM 1201 CA PRO A 114 7.689 4.233 -22.494 1.00 0.00 C ATOM 1202 C PRO A 114 6.378 3.455 -22.642 1.00 0.00 C ATOM 1203 O PRO A 114 6.385 2.245 -22.745 1.00 0.00 O ATOM 1204 CB PRO A 114 8.119 4.833 -23.828 1.00 0.00 C ATOM 1205 CG PRO A 114 9.040 3.822 -24.434 1.00 0.00 C ATOM 1206 CD PRO A 114 9.678 3.058 -23.301 1.00 0.00 C ATOM 0 HA PRO A 114 7.512 4.992 -21.732 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.259 5.018 -24.472 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.623 5.789 -23.686 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.491 3.147 -25.091 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.800 4.311 -25.043 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.747 1.994 -23.528 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.692 3.408 -23.107 1.00 0.00 H new ATOM 1214 N PRO A 115 5.292 4.180 -22.647 1.00 0.00 N ATOM 1215 CA PRO A 115 3.954 3.547 -22.784 1.00 0.00 C ATOM 1216 C PRO A 115 3.780 2.982 -24.193 1.00 0.00 C ATOM 1217 O PRO A 115 4.669 3.068 -25.017 1.00 0.00 O ATOM 1218 CB PRO A 115 2.986 4.700 -22.531 1.00 0.00 C ATOM 1219 CG PRO A 115 3.763 5.931 -22.870 1.00 0.00 C ATOM 1220 CD PRO A 115 5.201 5.638 -22.532 1.00 0.00 C ATOM 0 HA PRO A 115 3.798 2.712 -22.101 1.00 0.00 H new ATOM 0 HB2 PRO A 115 2.094 4.611 -23.152 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.652 4.716 -21.494 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.656 6.178 -23.926 1.00 0.00 H new ATOM 0 HG3 PRO A 115 3.398 6.788 -22.303 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.884 6.138 -23.219 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.454 5.977 -21.528 1.00 0.00 H new ATOM 1228 N VAL A 116 2.649 2.400 -24.481 1.00 0.00 N ATOM 1229 CA VAL A 116 2.446 1.833 -25.846 1.00 0.00 C ATOM 1230 C VAL A 116 1.558 2.756 -26.685 1.00 0.00 C ATOM 1231 O VAL A 116 0.586 3.306 -26.207 1.00 0.00 O ATOM 1232 CB VAL A 116 1.773 0.478 -25.627 1.00 0.00 C ATOM 1233 CG1 VAL A 116 2.657 -0.393 -24.731 1.00 0.00 C ATOM 1234 CG2 VAL A 116 0.412 0.681 -24.958 1.00 0.00 C ATOM 0 H VAL A 116 1.864 2.292 -23.839 1.00 0.00 H new ATOM 0 HA VAL A 116 3.386 1.730 -26.388 1.00 0.00 H new ATOM 0 HB VAL A 116 1.633 -0.014 -26.589 1.00 0.00 H new ATOM 0 HG11 VAL A 116 2.177 -1.359 -24.575 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.625 -0.542 -25.209 1.00 0.00 H new ATOM 0 HG13 VAL A 116 2.799 0.101 -23.770 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -0.065 -0.287 -24.803 1.00 0.00 H new ATOM 0 HG22 VAL A 116 0.549 1.176 -23.997 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.219 1.299 -25.597 1.00 0.00 H new ATOM 1244 N LYS A 117 1.893 2.926 -27.934 1.00 0.00 N ATOM 1245 CA LYS A 117 1.080 3.810 -28.820 1.00 0.00 C ATOM 1246 C LYS A 117 0.374 2.964 -29.886 1.00 0.00 C ATOM 1247 O LYS A 117 1.001 2.227 -30.619 1.00 0.00 O ATOM 1248 CB LYS A 117 2.097 4.753 -29.465 1.00 0.00 C ATOM 1249 CG LYS A 117 1.364 5.829 -30.268 1.00 0.00 C ATOM 1250 CD LYS A 117 2.259 6.306 -31.414 1.00 0.00 C ATOM 1251 CE LYS A 117 2.896 7.647 -31.043 1.00 0.00 C ATOM 1252 NZ LYS A 117 3.755 8.000 -32.207 1.00 0.00 N ATOM 0 H LYS A 117 2.698 2.489 -28.382 1.00 0.00 H new ATOM 0 HA LYS A 117 0.306 4.355 -28.279 1.00 0.00 H new ATOM 0 HB2 LYS A 117 2.716 5.217 -28.697 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.766 4.191 -30.117 1.00 0.00 H new ATOM 0 HG2 LYS A 117 0.430 5.430 -30.663 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.104 6.667 -29.621 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.034 5.567 -31.615 1.00 0.00 H new ATOM 0 HD3 LYS A 117 1.673 6.410 -32.327 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.137 8.409 -30.867 1.00 0.00 H new ATOM 0 HE3 LYS A 117 3.484 7.565 -30.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.226 8.909 -32.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.472 7.260 -32.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 3.167 8.078 -33.061 1.00 0.00 H new ATOM 1266 N THR A 118 -0.925 3.052 -29.970 1.00 0.00 N ATOM 1267 CA THR A 118 -1.657 2.235 -30.981 1.00 0.00 C ATOM 1268 C THR A 118 -2.633 3.102 -31.785 1.00 0.00 C ATOM 1269 O THR A 118 -2.795 4.277 -31.525 1.00 0.00 O ATOM 1270 CB THR A 118 -2.418 1.199 -30.159 1.00 0.00 C ATOM 1271 OG1 THR A 118 -3.272 1.869 -29.239 1.00 0.00 O ATOM 1272 CG2 THR A 118 -1.423 0.316 -29.401 1.00 0.00 C ATOM 0 H THR A 118 -1.509 3.651 -29.386 1.00 0.00 H new ATOM 0 HA THR A 118 -0.982 1.780 -31.706 1.00 0.00 H new ATOM 0 HB THR A 118 -3.018 0.572 -30.819 1.00 0.00 H new ATOM 0 HG1 THR A 118 -4.207 1.689 -29.470 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.967 -0.424 -28.814 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.772 -0.192 -30.112 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.820 0.935 -28.736 1.00 0.00 H new ATOM 1280 N LYS A 119 -3.283 2.523 -32.760 1.00 0.00 N ATOM 1281 CA LYS A 119 -4.250 3.304 -33.587 1.00 0.00 C ATOM 1282 C LYS A 119 -5.514 3.619 -32.782 1.00 0.00 C ATOM 1283 O LYS A 119 -6.284 4.488 -33.139 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.585 2.393 -34.770 1.00 0.00 C ATOM 1285 CG LYS A 119 -3.414 2.375 -35.754 1.00 0.00 C ATOM 1286 CD LYS A 119 -3.706 1.376 -36.875 1.00 0.00 C ATOM 1287 CE LYS A 119 -2.956 1.793 -38.143 1.00 0.00 C ATOM 1288 NZ LYS A 119 -3.260 0.727 -39.139 1.00 0.00 N ATOM 0 H LYS A 119 -3.186 1.541 -33.020 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.835 4.259 -33.908 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.791 1.383 -34.417 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.487 2.746 -35.270 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.260 3.370 -36.170 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.495 2.100 -35.237 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.400 0.375 -36.572 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.778 1.336 -37.071 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.289 2.769 -38.496 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.884 1.869 -37.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.780 0.943 -40.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.926 -0.190 -38.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.287 0.683 -39.298 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.734 2.928 -31.694 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.953 3.214 -30.878 1.00 0.00 C ATOM 1304 C PHE A 120 -6.599 4.126 -29.702 1.00 0.00 C ATOM 1305 O PHE A 120 -7.328 4.217 -28.733 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.489 1.861 -30.375 1.00 0.00 C ATOM 1307 CG PHE A 120 -6.363 0.894 -30.091 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.878 0.058 -31.106 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.811 0.824 -28.808 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.842 -0.845 -30.835 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.777 -0.080 -28.535 1.00 0.00 C ATOM 1312 CZ PHE A 120 -4.292 -0.914 -29.549 1.00 0.00 C ATOM 0 H PHE A 120 -5.131 2.187 -31.338 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.709 3.727 -31.472 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.076 2.014 -29.470 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -8.159 1.433 -31.121 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.303 0.110 -32.097 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.183 1.469 -28.026 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.467 -1.488 -31.618 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -4.354 -0.134 -27.543 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.494 -1.611 -29.340 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.491 4.811 -29.782 1.00 0.00 N ATOM 1323 CA GLY A 121 -5.099 5.726 -28.674 1.00 0.00 C ATOM 1324 C GLY A 121 -3.868 5.178 -27.953 1.00 0.00 C ATOM 1325 O GLY A 121 -3.340 4.143 -28.308 1.00 0.00 O ATOM 0 H GLY A 121 -4.841 4.776 -30.567 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.887 6.719 -29.070 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.925 5.833 -27.971 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.405 5.859 -26.938 1.00 0.00 N ATOM 1330 CA TYR A 122 -2.210 5.359 -26.201 1.00 0.00 C ATOM 1331 C TYR A 122 -2.642 4.686 -24.898 1.00 0.00 C ATOM 1332 O TYR A 122 -3.738 4.894 -24.419 1.00 0.00 O ATOM 1333 CB TYR A 122 -1.337 6.588 -25.931 1.00 0.00 C ATOM 1334 CG TYR A 122 -2.064 7.600 -25.072 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -1.941 7.538 -23.679 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -2.828 8.614 -25.663 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.584 8.487 -22.875 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -3.467 9.567 -24.858 1.00 0.00 C ATOM 1339 CZ TYR A 122 -3.344 9.503 -23.463 1.00 0.00 C ATOM 1340 OH TYR A 122 -3.973 10.441 -22.672 1.00 0.00 O ATOM 0 H TYR A 122 -3.800 6.733 -26.590 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.659 4.612 -26.773 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -0.416 6.281 -25.435 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.051 7.049 -26.877 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -1.350 6.757 -23.224 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.925 8.662 -26.738 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -2.493 8.434 -21.800 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -4.054 10.351 -25.313 1.00 0.00 H new ATOM 0 HH TYR A 122 -4.819 10.706 -23.089 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.801 3.862 -24.327 1.00 0.00 N ATOM 1351 CA HIS A 123 -2.198 3.170 -23.068 1.00 0.00 C ATOM 1352 C HIS A 123 -1.050 3.123 -22.059 1.00 0.00 C ATOM 1353 O HIS A 123 0.085 2.834 -22.398 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.548 1.741 -23.491 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.420 1.762 -24.713 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.738 1.346 -24.677 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -3.178 2.135 -26.011 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -5.239 1.477 -25.916 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.330 1.954 -26.771 1.00 0.00 N ATOM 0 H HIS A 123 -0.868 3.641 -24.674 1.00 0.00 H new ATOM 0 HA HIS A 123 -3.023 3.693 -22.585 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.636 1.181 -23.696 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -3.061 1.228 -22.678 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -2.238 2.511 -26.386 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.254 1.227 -26.188 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.453 2.144 -27.765 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.355 3.360 -20.810 1.00 0.00 N ATOM 1368 CA ILE A 124 -0.304 3.279 -19.751 1.00 0.00 C ATOM 1369 C ILE A 124 -0.673 2.129 -18.816 1.00 0.00 C ATOM 1370 O ILE A 124 -1.658 2.198 -18.113 1.00 0.00 O ATOM 1371 CB ILE A 124 -0.353 4.615 -19.007 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -0.069 5.752 -19.986 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.709 4.624 -17.904 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -0.316 7.094 -19.297 1.00 0.00 C ATOM 0 H ILE A 124 -2.287 3.606 -20.477 1.00 0.00 H new ATOM 0 HA ILE A 124 0.695 3.101 -20.149 1.00 0.00 H new ATOM 0 HB ILE A 124 -1.341 4.748 -18.566 1.00 0.00 H new ATOM 0 HG12 ILE A 124 0.962 5.695 -20.336 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -0.709 5.659 -20.863 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.675 5.576 -17.374 1.00 0.00 H new ATOM 0 HG22 ILE A 124 0.514 3.811 -17.204 1.00 0.00 H new ATOM 0 HG23 ILE A 124 1.696 4.491 -18.348 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.113 7.905 -19.996 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.354 7.149 -18.969 1.00 0.00 H new ATOM 0 HD13 ILE A 124 0.343 7.186 -18.433 1.00 0.00 H new ATOM 1386 N ILE A 125 0.080 1.060 -18.817 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.286 -0.091 -17.939 1.00 0.00 C ATOM 1388 C ILE A 125 0.596 -0.157 -16.692 1.00 0.00 C ATOM 1389 O ILE A 125 1.781 0.120 -16.728 1.00 0.00 O ATOM 1390 CB ILE A 125 -0.087 -1.348 -18.791 1.00 0.00 C ATOM 1391 CG1 ILE A 125 1.281 -1.281 -19.494 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -1.220 -1.469 -19.815 1.00 0.00 C ATOM 1393 CD1 ILE A 125 1.144 -0.803 -20.947 1.00 0.00 C ATOM 0 H ILE A 125 0.921 0.934 -19.380 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.312 0.009 -17.585 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.108 -2.231 -18.152 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.939 -0.605 -18.948 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.749 -2.265 -19.476 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.072 -2.365 -20.417 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -2.175 -1.536 -19.294 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.220 -0.592 -20.463 1.00 0.00 H new ATOM 0 HD11 ILE A 125 2.129 -0.768 -21.413 1.00 0.00 H new ATOM 0 HD12 ILE A 125 0.506 -1.494 -21.499 1.00 0.00 H new ATOM 0 HD13 ILE A 125 0.699 0.192 -20.962 1.00 0.00 H new ATOM 1405 N MET A 126 0.012 -0.550 -15.591 1.00 0.00 N ATOM 1406 CA MET A 126 0.777 -0.678 -14.320 1.00 0.00 C ATOM 1407 C MET A 126 0.729 -2.135 -13.858 1.00 0.00 C ATOM 1408 O MET A 126 -0.330 -2.685 -13.628 1.00 0.00 O ATOM 1409 CB MET A 126 0.044 0.222 -13.324 1.00 0.00 C ATOM 1410 CG MET A 126 1.033 0.772 -12.294 1.00 0.00 C ATOM 1411 SD MET A 126 2.061 -0.575 -11.650 1.00 0.00 S ATOM 1412 CE MET A 126 0.762 -1.439 -10.732 1.00 0.00 C ATOM 0 H MET A 126 -0.977 -0.791 -15.520 1.00 0.00 H new ATOM 0 HA MET A 126 1.824 -0.393 -14.422 1.00 0.00 H new ATOM 0 HB2 MET A 126 -0.440 1.044 -13.851 1.00 0.00 H new ATOM 0 HB3 MET A 126 -0.742 -0.341 -12.822 1.00 0.00 H new ATOM 0 HG2 MET A 126 1.662 1.535 -12.752 1.00 0.00 H new ATOM 0 HG3 MET A 126 0.493 1.252 -11.478 1.00 0.00 H new ATOM 0 HE1 MET A 126 1.135 -1.715 -9.746 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.103 -0.785 -10.623 1.00 0.00 H new ATOM 0 HE3 MET A 126 0.470 -2.339 -11.274 1.00 0.00 H new ATOM 1422 N VAL A 127 1.857 -2.774 -13.736 1.00 0.00 N ATOM 1423 CA VAL A 127 1.849 -4.203 -13.308 1.00 0.00 C ATOM 1424 C VAL A 127 2.117 -4.326 -11.806 1.00 0.00 C ATOM 1425 O VAL A 127 3.143 -3.907 -11.307 1.00 0.00 O ATOM 1426 CB VAL A 127 2.968 -4.865 -14.109 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.994 -6.363 -13.804 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.714 -4.654 -15.604 1.00 0.00 C ATOM 0 H VAL A 127 2.779 -2.374 -13.912 1.00 0.00 H new ATOM 0 HA VAL A 127 0.882 -4.673 -13.488 1.00 0.00 H new ATOM 0 HB VAL A 127 3.925 -4.422 -13.835 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.792 -6.837 -14.375 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.171 -6.514 -12.739 1.00 0.00 H new ATOM 0 HG13 VAL A 127 2.038 -6.807 -14.080 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.511 -5.125 -16.179 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.758 -5.100 -15.877 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.692 -3.586 -15.822 1.00 0.00 H new ATOM 1438 N GLU A 128 1.200 -4.914 -11.087 1.00 0.00 N ATOM 1439 CA GLU A 128 1.391 -5.089 -9.618 1.00 0.00 C ATOM 1440 C GLU A 128 1.600 -6.574 -9.304 1.00 0.00 C ATOM 1441 O GLU A 128 1.927 -6.949 -8.195 1.00 0.00 O ATOM 1442 CB GLU A 128 0.092 -4.578 -8.992 1.00 0.00 C ATOM 1443 CG GLU A 128 0.081 -4.894 -7.496 1.00 0.00 C ATOM 1444 CD GLU A 128 -1.106 -4.190 -6.837 1.00 0.00 C ATOM 1445 OE1 GLU A 128 -1.578 -3.217 -7.399 1.00 0.00 O ATOM 1446 OE2 GLU A 128 -1.524 -4.639 -5.782 1.00 0.00 O ATOM 0 H GLU A 128 0.323 -5.282 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 128 2.260 -4.554 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.001 -3.503 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.765 -5.044 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 128 0.011 -5.971 -7.341 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.013 -4.566 -7.037 1.00 0.00 H new ATOM 1453 N GLY A 129 1.417 -7.418 -10.285 1.00 0.00 N ATOM 1454 CA GLY A 129 1.606 -8.881 -10.075 1.00 0.00 C ATOM 1455 C GLY A 129 2.198 -9.480 -11.349 1.00 0.00 C ATOM 1456 O GLY A 129 1.967 -8.993 -12.438 1.00 0.00 O ATOM 0 H GLY A 129 1.142 -7.152 -11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 129 2.269 -9.060 -9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 129 0.654 -9.356 -9.840 1.00 0.00 H new ATOM 1460 N ARG A 130 2.971 -10.524 -11.232 1.00 0.00 N ATOM 1461 CA ARG A 130 3.579 -11.129 -12.451 1.00 0.00 C ATOM 1462 C ARG A 130 3.407 -12.651 -12.442 1.00 0.00 C ATOM 1463 O ARG A 130 3.373 -13.277 -11.401 1.00 0.00 O ATOM 1464 CB ARG A 130 5.059 -10.752 -12.374 1.00 0.00 C ATOM 1465 CG ARG A 130 5.212 -9.243 -12.593 1.00 0.00 C ATOM 1466 CD ARG A 130 6.676 -8.841 -12.393 1.00 0.00 C ATOM 1467 NE ARG A 130 7.018 -9.301 -11.018 1.00 0.00 N ATOM 1468 CZ ARG A 130 8.261 -9.297 -10.622 1.00 0.00 C ATOM 1469 NH1 ARG A 130 9.040 -10.303 -10.908 1.00 0.00 N ATOM 1470 NH2 ARG A 130 8.725 -8.287 -9.939 1.00 0.00 N ATOM 0 H ARG A 130 3.207 -10.982 -10.352 1.00 0.00 H new ATOM 0 HA ARG A 130 3.110 -10.771 -13.367 1.00 0.00 H new ATOM 0 HB2 ARG A 130 5.467 -11.033 -11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 130 5.625 -11.299 -13.128 1.00 0.00 H new ATOM 0 HG2 ARG A 130 4.885 -8.976 -13.598 1.00 0.00 H new ATOM 0 HG3 ARG A 130 4.576 -8.698 -11.896 1.00 0.00 H new ATOM 0 HD2 ARG A 130 7.319 -9.310 -13.137 1.00 0.00 H new ATOM 0 HD3 ARG A 130 6.806 -7.763 -12.493 1.00 0.00 H new ATOM 0 HE ARG A 130 6.282 -9.618 -10.387 1.00 0.00 H new ATOM 0 HH11 ARG A 130 8.677 -11.093 -11.441 1.00 0.00 H new ATOM 0 HH12 ARG A 130 10.012 -10.300 -10.598 1.00 0.00 H new ATOM 0 HH21 ARG A 130 8.116 -7.500 -9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 130 9.697 -8.284 -9.629 1.00 0.00 H new ATOM 1484 N LYS A 131 3.301 -13.249 -13.599 1.00 0.00 N ATOM 1485 CA LYS A 131 3.132 -14.730 -13.668 1.00 0.00 C ATOM 1486 C LYS A 131 4.263 -15.429 -12.909 1.00 0.00 C ATOM 1487 O LYS A 131 3.966 -16.320 -12.130 1.00 0.00 O ATOM 1488 CB LYS A 131 3.201 -15.065 -15.160 1.00 0.00 C ATOM 1489 CG LYS A 131 2.903 -16.552 -15.370 1.00 0.00 C ATOM 1490 CD LYS A 131 3.327 -16.963 -16.783 1.00 0.00 C ATOM 1491 CE LYS A 131 2.912 -18.414 -17.045 1.00 0.00 C ATOM 1492 NZ LYS A 131 2.992 -18.578 -18.522 1.00 0.00 N ATOM 1493 OXT LYS A 131 5.407 -15.058 -13.117 1.00 0.00 O ATOM 0 H LYS A 131 3.324 -12.774 -14.502 1.00 0.00 H new ATOM 0 HA LYS A 131 2.196 -15.061 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 131 2.483 -14.459 -15.712 1.00 0.00 H new ATOM 0 HB3 LYS A 131 4.189 -14.824 -15.551 1.00 0.00 H new ATOM 0 HG2 LYS A 131 3.437 -17.149 -14.631 1.00 0.00 H new ATOM 0 HG3 LYS A 131 1.840 -16.744 -15.227 1.00 0.00 H new ATOM 0 HD2 LYS A 131 2.865 -16.304 -17.518 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.406 -16.857 -16.894 1.00 0.00 H new ATOM 0 HE2 LYS A 131 3.575 -19.112 -16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.903 -18.608 -16.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 2.721 -19.549 -18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.345 -17.905 -18.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.965 -18.394 -18.839 1.00 0.00 H new