USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 73 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 119 ASN : amide:sc= -3.12 K(o=-3.1,f=-8!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.023 (180deg=-0.343) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0 (180deg=-0.0105) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.41! C(o=-8.4!,f=-22!) USER MOD Single : A 15 ASN : amide:sc= -0.45 X(o=-0.45,f=-0.19) USER MOD Single : A 16 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 30:sc= 0.316 USER MOD Single : A 28 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.38) USER MOD Single : A 29 MET CE :methyl -167:sc= 0 (180deg=-0.0751) USER MOD Single : A 31 ASN : amide:sc= -2.7 K(o=-2.7,f=-2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.737 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 63 GLN : amide:sc= -2.28 K(o=-2.3,f=-7.5!) USER MOD Single : A 64 HIS : no HD1:sc= -20.8! C(o=-21!,f=-25!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.5!) USER MOD Single : A 81 THR OG1 : rot -120:sc= -1.08 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.015 (180deg=-0.188) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 99:sc= 0.654 USER MOD Single : A 111 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.38) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 141:sc= -0.552 (180deg=-2.11!) USER MOD Single : A 131 8OG O3' : rot 40:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.693 -5.205 -2.244 1.00 0.00 N ATOM 2 CA MET A 1 -23.857 -6.385 -2.585 1.00 0.00 C ATOM 3 C MET A 1 -22.714 -5.999 -3.520 1.00 0.00 C ATOM 4 O MET A 1 -22.559 -6.571 -4.599 1.00 0.00 O ATOM 5 CB MET A 1 -24.749 -7.440 -3.245 1.00 0.00 C ATOM 6 CG MET A 1 -25.691 -8.133 -2.275 1.00 0.00 C ATOM 7 SD MET A 1 -26.622 -9.470 -3.047 1.00 0.00 S ATOM 8 CE MET A 1 -25.333 -10.689 -3.280 1.00 0.00 C ATOM 0 H1 MET A 1 -24.666 -5.045 -1.217 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.325 -4.365 -2.735 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.675 -5.377 -2.542 1.00 0.00 H new ATOM 0 HA MET A 1 -23.413 -6.786 -1.674 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.335 -6.967 -4.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.118 -8.189 -3.724 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.117 -8.531 -1.439 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.386 -7.401 -1.864 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.784 -11.665 -3.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.718 -10.410 -4.136 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.711 -10.736 -2.386 1.00 0.00 H new ATOM 20 N LYS A 2 -21.916 -5.023 -3.097 1.00 0.00 N ATOM 21 CA LYS A 2 -20.787 -4.560 -3.895 1.00 0.00 C ATOM 22 C LYS A 2 -19.470 -5.084 -3.330 1.00 0.00 C ATOM 23 O LYS A 2 -19.281 -5.133 -2.115 1.00 0.00 O ATOM 24 CB LYS A 2 -20.762 -3.032 -3.943 1.00 0.00 C ATOM 25 CG LYS A 2 -20.263 -2.473 -5.266 1.00 0.00 C ATOM 26 CD LYS A 2 -18.791 -2.100 -5.194 1.00 0.00 C ATOM 27 CE LYS A 2 -18.332 -1.395 -6.460 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.363 -0.303 -6.168 1.00 0.00 N ATOM 0 H LYS A 2 -22.031 -4.538 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.907 -4.946 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.767 -2.654 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.126 -2.662 -3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -20.414 -3.211 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.849 -1.594 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.620 -1.453 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -18.194 -2.999 -5.040 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.871 -2.119 -7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.197 -0.983 -6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.075 0.152 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.811 0.402 -5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.526 -0.699 -5.695 1.00 0.00 H new ATOM 42 N LYS A 3 -18.563 -5.474 -4.221 1.00 0.00 N ATOM 43 CA LYS A 3 -17.264 -5.993 -3.810 1.00 0.00 C ATOM 44 C LYS A 3 -16.137 -5.295 -4.563 1.00 0.00 C ATOM 45 O LYS A 3 -16.090 -5.315 -5.792 1.00 0.00 O ATOM 46 CB LYS A 3 -17.196 -7.503 -4.053 1.00 0.00 C ATOM 47 CG LYS A 3 -17.383 -7.894 -5.511 1.00 0.00 C ATOM 48 CD LYS A 3 -18.580 -8.815 -5.695 1.00 0.00 C ATOM 49 CE LYS A 3 -19.798 -8.052 -6.190 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.873 -8.030 -7.678 1.00 0.00 N ATOM 0 H LYS A 3 -18.704 -5.440 -5.231 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.142 -5.796 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.232 -7.875 -3.706 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.962 -7.994 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.518 -6.996 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.483 -8.390 -5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.329 -9.602 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.814 -9.303 -4.749 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.702 -8.510 -5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -19.764 -7.030 -5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.717 -7.500 -7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -19.023 -7.570 -8.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.931 -9.004 -8.037 1.00 0.00 H new ATOM 64 N LEU A 4 -15.230 -4.678 -3.814 1.00 0.00 N ATOM 65 CA LEU A 4 -14.100 -3.972 -4.406 1.00 0.00 C ATOM 66 C LEU A 4 -12.794 -4.376 -3.729 1.00 0.00 C ATOM 67 O LEU A 4 -12.750 -4.571 -2.515 1.00 0.00 O ATOM 68 CB LEU A 4 -14.305 -2.460 -4.296 1.00 0.00 C ATOM 69 CG LEU A 4 -14.688 -1.959 -2.903 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.451 -1.503 -2.146 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.703 -0.831 -3.001 1.00 0.00 C ATOM 0 H LEU A 4 -15.255 -4.653 -2.795 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.040 -4.246 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.387 -1.961 -4.605 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.083 -2.162 -4.999 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.145 -2.782 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.740 -1.149 -1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.758 -2.338 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.967 -0.694 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.963 -0.488 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.275 -0.004 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.600 -1.191 -3.506 1.00 0.00 H new ATOM 83 N GLN A 5 -11.738 -4.515 -4.521 1.00 0.00 N ATOM 84 CA GLN A 5 -10.438 -4.914 -3.999 1.00 0.00 C ATOM 85 C GLN A 5 -9.482 -3.735 -3.884 1.00 0.00 C ATOM 86 O GLN A 5 -9.559 -2.771 -4.645 1.00 0.00 O ATOM 87 CB GLN A 5 -9.812 -5.979 -4.895 1.00 0.00 C ATOM 88 CG GLN A 5 -10.789 -7.060 -5.312 1.00 0.00 C ATOM 89 CD GLN A 5 -10.125 -8.188 -6.078 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.347 -8.960 -5.517 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.430 -8.289 -7.366 1.00 0.00 N ATOM 0 H GLN A 5 -11.757 -4.357 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.605 -5.317 -3.000 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.407 -5.501 -5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.974 -6.439 -4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.275 -7.466 -4.425 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.571 -6.618 -5.930 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.080 -7.627 -7.790 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.014 -9.029 -7.932 1.00 0.00 H new ATOM 100 N ILE A 6 -8.565 -3.844 -2.932 1.00 0.00 N ATOM 101 CA ILE A 6 -7.555 -2.820 -2.700 1.00 0.00 C ATOM 102 C ILE A 6 -6.250 -3.476 -2.268 1.00 0.00 C ATOM 103 O ILE A 6 -6.184 -4.111 -1.217 1.00 0.00 O ATOM 104 CB ILE A 6 -7.982 -1.792 -1.623 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.282 -2.218 -0.925 1.00 0.00 C ATOM 106 CG2 ILE A 6 -8.130 -0.412 -2.244 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.532 -1.982 -1.747 1.00 0.00 C ATOM 0 H ILE A 6 -8.500 -4.642 -2.300 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.427 -2.282 -3.639 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.201 -1.753 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.218 -3.277 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.371 -1.675 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.430 0.302 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.178 -0.103 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.888 -0.444 -3.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.405 -2.309 -1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.623 -0.920 -1.973 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.468 -2.547 -2.677 1.00 0.00 H new ATOM 119 N ALA A 7 -5.209 -3.323 -3.076 1.00 0.00 N ATOM 120 CA ALA A 7 -3.916 -3.906 -2.757 1.00 0.00 C ATOM 121 C ALA A 7 -2.850 -2.836 -2.758 1.00 0.00 C ATOM 122 O ALA A 7 -2.980 -1.832 -3.451 1.00 0.00 O ATOM 123 CB ALA A 7 -3.565 -5.008 -3.742 1.00 0.00 C ATOM 0 H ALA A 7 -5.236 -2.802 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.970 -4.346 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.594 -5.430 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.323 -5.790 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.526 -4.596 -4.750 1.00 0.00 H new ATOM 129 N VAL A 8 -1.802 -3.038 -1.982 1.00 0.00 N ATOM 130 CA VAL A 8 -0.733 -2.060 -1.922 1.00 0.00 C ATOM 131 C VAL A 8 0.627 -2.717 -1.745 1.00 0.00 C ATOM 132 O VAL A 8 0.731 -3.872 -1.335 1.00 0.00 O ATOM 133 CB VAL A 8 -0.956 -1.024 -0.797 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.412 -1.006 -0.347 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.030 -1.289 0.384 1.00 0.00 C ATOM 0 H VAL A 8 -1.668 -3.859 -1.392 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.748 -1.540 -2.880 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.716 -0.041 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.539 -0.268 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.051 -0.746 -1.191 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.689 -1.991 0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.209 -0.545 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.225 -2.284 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.007 -1.227 0.054 1.00 0.00 H new ATOM 145 N GLY A 9 1.662 -1.949 -2.038 1.00 0.00 N ATOM 146 CA GLY A 9 3.015 -2.428 -1.890 1.00 0.00 C ATOM 147 C GLY A 9 3.885 -1.407 -1.195 1.00 0.00 C ATOM 148 O GLY A 9 4.193 -0.358 -1.760 1.00 0.00 O ATOM 0 H GLY A 9 1.586 -0.991 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.014 -3.357 -1.320 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.432 -2.657 -2.871 1.00 0.00 H new ATOM 152 N ILE A 10 4.276 -1.707 0.033 1.00 0.00 N ATOM 153 CA ILE A 10 5.113 -0.790 0.801 1.00 0.00 C ATOM 154 C ILE A 10 6.520 -0.754 0.220 1.00 0.00 C ATOM 155 O ILE A 10 7.338 -1.624 0.512 1.00 0.00 O ATOM 156 CB ILE A 10 5.184 -1.164 2.303 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.034 -2.102 2.703 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.150 0.097 3.153 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.906 -2.312 4.198 1.00 0.00 C ATOM 0 H ILE A 10 4.032 -2.570 0.519 1.00 0.00 H new ATOM 0 HA ILE A 10 4.651 0.195 0.729 1.00 0.00 H new ATOM 0 HB ILE A 10 6.122 -1.692 2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.097 -1.696 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.182 -3.069 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.200 -0.174 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.001 0.730 2.900 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.225 0.640 2.961 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.073 -2.985 4.401 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.827 -2.748 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.726 -1.354 4.686 1.00 0.00 H new ATOM 171 N ILE A 11 6.788 0.246 -0.622 1.00 0.00 N ATOM 172 CA ILE A 11 8.094 0.374 -1.266 1.00 0.00 C ATOM 173 C ILE A 11 9.175 0.799 -0.285 1.00 0.00 C ATOM 174 O ILE A 11 9.055 1.820 0.393 1.00 0.00 O ATOM 175 CB ILE A 11 8.083 1.365 -2.448 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.706 1.410 -3.120 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.157 0.972 -3.457 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.717 2.094 -4.469 1.00 0.00 C ATOM 0 H ILE A 11 6.120 0.975 -0.872 1.00 0.00 H new ATOM 0 HA ILE A 11 8.320 -0.622 -1.647 1.00 0.00 H new ATOM 0 HB ILE A 11 8.297 2.363 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.335 0.392 -3.240 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.007 1.928 -2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.147 1.674 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.135 0.995 -2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.958 -0.034 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.710 2.090 -4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.057 3.123 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.391 1.563 -5.141 1.00 0.00 H new ATOM 190 N ARG A 12 10.239 0.003 -0.224 1.00 0.00 N ATOM 191 CA ARG A 12 11.364 0.277 0.664 1.00 0.00 C ATOM 192 C ARG A 12 12.448 1.061 -0.061 1.00 0.00 C ATOM 193 O ARG A 12 12.707 0.829 -1.246 1.00 0.00 O ATOM 194 CB ARG A 12 11.949 -1.026 1.208 1.00 0.00 C ATOM 195 CG ARG A 12 11.486 -1.358 2.615 1.00 0.00 C ATOM 196 CD ARG A 12 12.633 -1.297 3.612 1.00 0.00 C ATOM 197 NE ARG A 12 13.114 -2.627 3.975 1.00 0.00 N ATOM 198 CZ ARG A 12 12.497 -3.429 4.840 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.376 -3.038 5.434 1.00 0.00 N ATOM 200 NH2 ARG A 12 13.003 -4.624 5.114 1.00 0.00 N ATOM 0 H ARG A 12 10.345 -0.843 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 12 10.994 0.876 1.496 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.675 -1.844 0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.037 -0.958 1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.705 -0.660 2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.045 -2.355 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.453 -0.719 3.186 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.306 -0.772 4.510 1.00 0.00 H new ATOM 0 HE ARG A 12 13.974 -2.961 3.540 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.984 -2.119 5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.907 -3.656 6.096 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.865 -4.929 4.662 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.530 -5.238 5.777 1.00 0.00 H new ATOM 214 N ASN A 13 13.071 1.987 0.667 1.00 0.00 N ATOM 215 CA ASN A 13 14.131 2.832 0.120 1.00 0.00 C ATOM 216 C ASN A 13 15.521 2.321 0.489 1.00 0.00 C ATOM 217 O ASN A 13 15.679 1.239 1.054 1.00 0.00 O ATOM 218 CB ASN A 13 13.974 4.275 0.607 1.00 0.00 C ATOM 219 CG ASN A 13 13.595 4.356 2.068 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.344 3.911 2.937 1.00 0.00 O ATOM 221 ND2 ASN A 13 12.424 4.919 2.343 1.00 0.00 N ATOM 0 H ASN A 13 12.857 2.172 1.647 1.00 0.00 H new ATOM 0 HA ASN A 13 14.035 2.798 -0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.909 4.812 0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.212 4.776 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.110 4.997 3.310 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.838 5.273 1.587 1.00 0.00 H new ATOM 228 N GLU A 14 16.522 3.122 0.139 1.00 0.00 N ATOM 229 CA GLU A 14 17.923 2.803 0.388 1.00 0.00 C ATOM 230 C GLU A 14 18.322 2.976 1.859 1.00 0.00 C ATOM 231 O GLU A 14 19.481 2.758 2.215 1.00 0.00 O ATOM 232 CB GLU A 14 18.788 3.715 -0.485 1.00 0.00 C ATOM 233 CG GLU A 14 20.283 3.581 -0.235 1.00 0.00 C ATOM 234 CD GLU A 14 21.099 3.711 -1.505 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.091 2.761 -2.316 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.746 4.764 -1.690 1.00 0.00 O ATOM 0 H GLU A 14 16.383 4.018 -0.329 1.00 0.00 H new ATOM 0 HA GLU A 14 18.076 1.752 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.585 3.496 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.493 4.750 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.599 4.345 0.475 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.486 2.614 0.226 1.00 0.00 H new ATOM 243 N ASN A 15 17.384 3.377 2.710 1.00 0.00 N ATOM 244 CA ASN A 15 17.689 3.583 4.125 1.00 0.00 C ATOM 245 C ASN A 15 16.785 2.744 5.022 1.00 0.00 C ATOM 246 O ASN A 15 16.287 3.227 6.038 1.00 0.00 O ATOM 247 CB ASN A 15 17.550 5.063 4.484 1.00 0.00 C ATOM 248 CG ASN A 15 18.220 5.404 5.801 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.597 5.969 6.700 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.498 5.062 5.921 1.00 0.00 N ATOM 0 H ASN A 15 16.416 3.565 2.451 1.00 0.00 H new ATOM 0 HA ASN A 15 18.718 3.264 4.292 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.986 5.669 3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.493 5.323 4.539 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.002 5.266 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.975 4.595 5.150 1.00 0.00 H new ATOM 257 N ASN A 16 16.572 1.488 4.636 1.00 0.00 N ATOM 258 CA ASN A 16 15.721 0.575 5.404 1.00 0.00 C ATOM 259 C ASN A 16 14.412 1.249 5.812 1.00 0.00 C ATOM 260 O ASN A 16 13.771 0.854 6.787 1.00 0.00 O ATOM 261 CB ASN A 16 16.463 0.061 6.643 1.00 0.00 C ATOM 262 CG ASN A 16 16.709 1.146 7.674 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.720 1.847 7.624 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.783 1.290 8.615 1.00 0.00 N ATOM 0 H ASN A 16 16.977 1.076 3.795 1.00 0.00 H new ATOM 0 HA ASN A 16 15.479 -0.273 4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.885 -0.743 7.099 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.418 -0.367 6.337 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.894 2.004 9.335 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.961 0.687 8.618 1.00 0.00 H new ATOM 271 N GLU A 17 14.016 2.256 5.043 1.00 0.00 N ATOM 272 CA GLU A 17 12.782 2.979 5.295 1.00 0.00 C ATOM 273 C GLU A 17 11.815 2.718 4.148 1.00 0.00 C ATOM 274 O GLU A 17 12.227 2.268 3.081 1.00 0.00 O ATOM 275 CB GLU A 17 13.054 4.478 5.456 1.00 0.00 C ATOM 276 CG GLU A 17 13.747 4.833 6.762 1.00 0.00 C ATOM 277 CD GLU A 17 13.372 6.213 7.267 1.00 0.00 C ATOM 278 OE1 GLU A 17 12.744 6.975 6.502 1.00 0.00 O ATOM 279 OE2 GLU A 17 13.708 6.532 8.426 1.00 0.00 O ATOM 0 H GLU A 17 14.539 2.590 4.234 1.00 0.00 H new ATOM 0 HA GLU A 17 12.337 2.628 6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.669 4.819 4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.109 5.019 5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.490 4.091 7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.827 4.783 6.621 1.00 0.00 H new ATOM 286 N ILE A 18 10.532 2.958 4.368 1.00 0.00 N ATOM 287 CA ILE A 18 9.540 2.699 3.336 1.00 0.00 C ATOM 288 C ILE A 18 8.785 3.966 2.925 1.00 0.00 C ATOM 289 O ILE A 18 8.305 4.723 3.769 1.00 0.00 O ATOM 290 CB ILE A 18 8.553 1.604 3.808 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.423 0.507 2.751 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.189 2.187 4.147 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.279 -0.881 3.338 1.00 0.00 C ATOM 0 H ILE A 18 10.156 3.327 5.241 1.00 0.00 H new ATOM 0 HA ILE A 18 10.072 2.346 2.452 1.00 0.00 H new ATOM 0 HB ILE A 18 8.958 1.164 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.558 0.719 2.123 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.300 0.530 2.104 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.523 1.388 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.295 2.921 4.946 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.770 2.670 3.264 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.192 -1.610 2.532 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.155 -1.113 3.943 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.386 -0.921 3.962 1.00 0.00 H new ATOM 305 N PHE A 19 8.684 4.176 1.615 1.00 0.00 N ATOM 306 CA PHE A 19 7.989 5.334 1.064 1.00 0.00 C ATOM 307 C PHE A 19 6.491 5.049 0.953 1.00 0.00 C ATOM 308 O PHE A 19 6.072 4.165 0.205 1.00 0.00 O ATOM 309 CB PHE A 19 8.586 5.682 -0.310 1.00 0.00 C ATOM 310 CG PHE A 19 7.619 6.290 -1.292 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.768 5.484 -2.034 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.570 7.662 -1.482 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.887 6.036 -2.944 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.689 8.218 -2.391 1.00 0.00 C ATOM 315 CZ PHE A 19 5.847 7.404 -3.123 1.00 0.00 C ATOM 0 H PHE A 19 9.079 3.553 0.911 1.00 0.00 H new ATOM 0 HA PHE A 19 8.119 6.187 1.730 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.415 6.375 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.002 4.775 -0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.794 4.413 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.227 8.304 -0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.230 5.397 -3.515 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.659 9.289 -2.529 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.159 7.837 -3.834 1.00 0.00 H new ATOM 325 N ILE A 20 5.690 5.799 1.702 1.00 0.00 N ATOM 326 CA ILE A 20 4.245 5.622 1.683 1.00 0.00 C ATOM 327 C ILE A 20 3.553 6.895 1.211 1.00 0.00 C ATOM 328 O ILE A 20 3.952 8.001 1.574 1.00 0.00 O ATOM 329 CB ILE A 20 3.683 5.229 3.072 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.778 5.233 4.145 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.013 3.864 3.005 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.013 6.595 4.758 1.00 0.00 C ATOM 0 H ILE A 20 6.018 6.534 2.329 1.00 0.00 H new ATOM 0 HA ILE A 20 4.042 4.807 0.988 1.00 0.00 H new ATOM 0 HB ILE A 20 2.940 5.976 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.507 4.530 4.933 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.709 4.875 3.705 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.623 3.601 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.194 3.896 2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.742 3.116 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.800 6.525 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.314 7.297 3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.094 6.946 5.227 1.00 0.00 H new ATOM 344 N THR A 21 2.514 6.731 0.403 1.00 0.00 N ATOM 345 CA THR A 21 1.765 7.867 -0.116 1.00 0.00 C ATOM 346 C THR A 21 0.845 8.438 0.957 1.00 0.00 C ATOM 347 O THR A 21 -0.029 7.744 1.470 1.00 0.00 O ATOM 348 CB THR A 21 0.945 7.448 -1.335 1.00 0.00 C ATOM 349 OG1 THR A 21 0.106 6.351 -1.022 1.00 0.00 O ATOM 350 CG2 THR A 21 1.796 7.051 -2.521 1.00 0.00 C ATOM 0 H THR A 21 2.171 5.822 0.093 1.00 0.00 H new ATOM 0 HA THR A 21 2.475 8.638 -0.414 1.00 0.00 H new ATOM 0 HB THR A 21 0.361 8.327 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.140 6.388 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.151 6.765 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.420 7.893 -2.819 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.431 6.208 -2.247 1.00 0.00 H new ATOM 358 N ARG A 22 1.044 9.707 1.293 1.00 0.00 N ATOM 359 CA ARG A 22 0.226 10.356 2.306 1.00 0.00 C ATOM 360 C ARG A 22 -0.735 11.342 1.663 1.00 0.00 C ATOM 361 O ARG A 22 -0.597 11.673 0.485 1.00 0.00 O ATOM 362 CB ARG A 22 1.116 11.072 3.326 1.00 0.00 C ATOM 363 CG ARG A 22 1.814 12.305 2.773 1.00 0.00 C ATOM 364 CD ARG A 22 2.509 13.091 3.873 1.00 0.00 C ATOM 365 NE ARG A 22 3.296 14.201 3.341 1.00 0.00 N ATOM 366 CZ ARG A 22 3.968 15.064 4.099 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.951 14.949 5.421 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.658 16.046 3.534 1.00 0.00 N ATOM 0 H ARG A 22 1.761 10.303 0.880 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.356 9.593 2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.509 11.363 4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.868 10.373 3.692 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.544 12.005 2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.086 12.943 2.273 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.764 13.476 4.569 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.160 12.424 4.439 1.00 0.00 H new ATOM 0 HE ARG A 22 3.333 14.322 2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.421 14.196 5.861 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.468 15.613 5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.674 16.140 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.173 16.707 4.115 1.00 0.00 H new ATOM 382 N ARG A 23 -1.701 11.818 2.437 1.00 0.00 N ATOM 383 CA ARG A 23 -2.670 12.779 1.927 1.00 0.00 C ATOM 384 C ARG A 23 -2.014 14.144 1.743 1.00 0.00 C ATOM 385 O ARG A 23 -2.456 15.142 2.313 1.00 0.00 O ATOM 386 CB ARG A 23 -3.866 12.889 2.875 1.00 0.00 C ATOM 387 CG ARG A 23 -4.938 11.841 2.621 1.00 0.00 C ATOM 388 CD ARG A 23 -6.146 12.436 1.915 1.00 0.00 C ATOM 389 NE ARG A 23 -7.314 11.562 1.995 1.00 0.00 N ATOM 390 CZ ARG A 23 -8.377 11.672 1.203 1.00 0.00 C ATOM 391 NH1 ARG A 23 -8.424 12.613 0.269 1.00 0.00 N ATOM 392 NH2 ARG A 23 -9.398 10.835 1.344 1.00 0.00 N ATOM 0 H ARG A 23 -1.834 11.557 3.414 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.028 12.429 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.515 12.797 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.308 13.881 2.777 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.523 11.034 2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.250 11.401 3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.386 13.402 2.359 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.901 12.618 0.869 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.314 10.824 2.699 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.642 13.258 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -9.242 12.692 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.367 10.108 2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.214 10.919 0.737 1.00 0.00 H new ATOM 406 N ALA A 24 -0.950 14.174 0.943 1.00 0.00 N ATOM 407 CA ALA A 24 -0.216 15.402 0.678 1.00 0.00 C ATOM 408 C ALA A 24 0.122 16.138 1.972 1.00 0.00 C ATOM 409 O ALA A 24 -0.137 15.639 3.067 1.00 0.00 O ATOM 410 CB ALA A 24 -1.015 16.302 -0.253 1.00 0.00 C ATOM 0 H ALA A 24 -0.578 13.353 0.465 1.00 0.00 H new ATOM 0 HA ALA A 24 0.723 15.135 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.455 17.217 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.194 15.784 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.969 16.551 0.212 1.00 0.00 H new ATOM 416 N ALA A 25 0.703 17.327 1.839 1.00 0.00 N ATOM 417 CA ALA A 25 1.073 18.129 2.999 1.00 0.00 C ATOM 418 C ALA A 25 0.071 19.255 3.242 1.00 0.00 C ATOM 419 O ALA A 25 0.346 20.189 3.995 1.00 0.00 O ATOM 420 CB ALA A 25 2.472 18.696 2.820 1.00 0.00 C ATOM 0 H ALA A 25 0.927 17.755 0.941 1.00 0.00 H new ATOM 0 HA ALA A 25 1.061 17.479 3.874 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.737 19.293 3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.185 17.879 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.499 19.324 1.929 1.00 0.00 H new ATOM 426 N ASP A 26 -1.093 19.164 2.600 1.00 0.00 N ATOM 427 CA ASP A 26 -2.134 20.178 2.750 1.00 0.00 C ATOM 428 C ASP A 26 -3.323 19.872 1.846 1.00 0.00 C ATOM 429 O ASP A 26 -3.903 20.774 1.240 1.00 0.00 O ATOM 430 CB ASP A 26 -1.577 21.567 2.428 1.00 0.00 C ATOM 431 CG ASP A 26 -0.802 21.591 1.125 1.00 0.00 C ATOM 432 OD1 ASP A 26 0.211 20.865 1.023 1.00 0.00 O ATOM 433 OD2 ASP A 26 -1.206 22.335 0.208 1.00 0.00 O ATOM 0 H ASP A 26 -1.338 18.399 1.972 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.473 20.164 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -2.399 22.281 2.372 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.927 21.892 3.240 1.00 0.00 H new ATOM 438 N ALA A 27 -3.680 18.595 1.756 1.00 0.00 N ATOM 439 CA ALA A 27 -4.800 18.172 0.924 1.00 0.00 C ATOM 440 C ALA A 27 -6.116 18.253 1.688 1.00 0.00 C ATOM 441 O ALA A 27 -6.892 19.192 1.508 1.00 0.00 O ATOM 442 CB ALA A 27 -4.569 16.757 0.411 1.00 0.00 C ATOM 0 H ALA A 27 -3.210 17.836 2.249 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.865 18.850 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.412 16.453 -0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.654 16.730 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.475 16.075 1.256 1.00 0.00 H new ATOM 448 N HIS A 28 -6.365 17.264 2.541 1.00 0.00 N ATOM 449 CA HIS A 28 -7.589 17.226 3.331 1.00 0.00 C ATOM 450 C HIS A 28 -7.349 16.550 4.678 1.00 0.00 C ATOM 451 O HIS A 28 -7.285 17.212 5.713 1.00 0.00 O ATOM 452 CB HIS A 28 -8.691 16.489 2.567 1.00 0.00 C ATOM 453 CG HIS A 28 -9.114 17.184 1.309 1.00 0.00 C ATOM 454 ND1 HIS A 28 -8.902 16.659 0.052 1.00 0.00 N ATOM 455 CD2 HIS A 28 -9.740 18.370 1.119 1.00 0.00 C ATOM 456 CE1 HIS A 28 -9.379 17.491 -0.857 1.00 0.00 C ATOM 457 NE2 HIS A 28 -9.893 18.535 -0.235 1.00 0.00 N ATOM 0 H HIS A 28 -5.735 16.478 2.702 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.906 18.253 3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.342 15.487 2.319 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.558 16.373 3.218 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.059 19.057 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.353 17.342 -1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.333 19.336 -0.688 1.00 0.00 H new ATOM 466 N MET A 29 -7.216 15.227 4.655 1.00 0.00 N ATOM 467 CA MET A 29 -6.982 14.461 5.873 1.00 0.00 C ATOM 468 C MET A 29 -5.572 13.882 5.889 1.00 0.00 C ATOM 469 O MET A 29 -5.299 12.867 5.249 1.00 0.00 O ATOM 470 CB MET A 29 -8.010 13.335 5.999 1.00 0.00 C ATOM 471 CG MET A 29 -8.208 12.546 4.714 1.00 0.00 C ATOM 472 SD MET A 29 -9.642 13.101 3.773 1.00 0.00 S ATOM 473 CE MET A 29 -10.976 12.416 4.752 1.00 0.00 C ATOM 0 H MET A 29 -7.266 14.664 3.806 1.00 0.00 H new ATOM 0 HA MET A 29 -7.088 15.136 6.722 1.00 0.00 H new ATOM 0 HB2 MET A 29 -7.695 12.653 6.789 1.00 0.00 H new ATOM 0 HB3 MET A 29 -8.966 13.759 6.306 1.00 0.00 H new ATOM 0 HG2 MET A 29 -7.315 12.636 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 29 -8.323 11.489 4.955 1.00 0.00 H new ATOM 0 HE1 MET A 29 -11.907 12.471 4.187 1.00 0.00 H new ATOM 0 HE2 MET A 29 -10.756 11.375 4.989 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.078 12.985 5.676 1.00 0.00 H new ATOM 483 N ALA A 30 -4.678 14.535 6.624 1.00 0.00 N ATOM 484 CA ALA A 30 -3.293 14.086 6.723 1.00 0.00 C ATOM 485 C ALA A 30 -3.173 12.815 7.562 1.00 0.00 C ATOM 486 O ALA A 30 -2.106 12.204 7.624 1.00 0.00 O ATOM 487 CB ALA A 30 -2.425 15.189 7.308 1.00 0.00 C ATOM 0 H ALA A 30 -4.887 15.377 7.160 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.945 13.852 5.717 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.394 14.842 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.470 16.068 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.788 15.449 8.302 1.00 0.00 H new ATOM 493 N ASN A 31 -4.265 12.421 8.212 1.00 0.00 N ATOM 494 CA ASN A 31 -4.268 11.224 9.047 1.00 0.00 C ATOM 495 C ASN A 31 -4.673 9.984 8.249 1.00 0.00 C ATOM 496 O ASN A 31 -5.028 8.957 8.828 1.00 0.00 O ATOM 497 CB ASN A 31 -5.216 11.417 10.233 1.00 0.00 C ATOM 498 CG ASN A 31 -4.478 11.557 11.549 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.870 10.973 12.559 1.00 0.00 O ATOM 500 ND2 ASN A 31 -3.402 12.335 11.544 1.00 0.00 N ATOM 0 H ASN A 31 -5.158 12.913 8.176 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.253 11.068 9.414 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.826 12.305 10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.898 10.568 10.291 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.864 12.467 12.401 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.113 12.800 10.683 1.00 0.00 H new ATOM 507 N LYS A 32 -4.617 10.080 6.922 1.00 0.00 N ATOM 508 CA LYS A 32 -4.978 8.958 6.061 1.00 0.00 C ATOM 509 C LYS A 32 -3.773 8.444 5.286 1.00 0.00 C ATOM 510 O LYS A 32 -3.911 7.866 4.208 1.00 0.00 O ATOM 511 CB LYS A 32 -6.098 9.352 5.099 1.00 0.00 C ATOM 512 CG LYS A 32 -7.463 8.826 5.510 1.00 0.00 C ATOM 513 CD LYS A 32 -8.346 8.561 4.301 1.00 0.00 C ATOM 514 CE LYS A 32 -7.893 7.327 3.539 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.401 7.319 2.140 1.00 0.00 N ATOM 0 H LYS A 32 -4.326 10.920 6.422 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.336 8.153 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.142 10.439 5.031 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.859 8.979 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.342 7.906 6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.950 9.548 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.379 8.431 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.327 9.426 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.804 7.286 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.241 6.433 4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.069 6.461 1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.441 7.332 2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.048 8.159 1.638 1.00 0.00 H new ATOM 529 N LEU A 33 -2.596 8.656 5.849 1.00 0.00 N ATOM 530 CA LEU A 33 -1.351 8.217 5.229 1.00 0.00 C ATOM 531 C LEU A 33 -1.453 6.757 4.790 1.00 0.00 C ATOM 532 O LEU A 33 -1.380 5.848 5.614 1.00 0.00 O ATOM 533 CB LEU A 33 -0.198 8.390 6.221 1.00 0.00 C ATOM 534 CG LEU A 33 1.202 8.524 5.609 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.262 8.135 6.626 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.336 7.678 4.350 1.00 0.00 C ATOM 0 H LEU A 33 -2.473 9.133 6.742 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.163 8.826 4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.395 9.276 6.825 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.196 7.536 6.898 1.00 0.00 H new ATOM 0 HG LEU A 33 1.350 9.567 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.250 8.235 6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.190 8.789 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.107 7.102 6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.339 7.794 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.163 6.630 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.602 8.004 3.613 1.00 0.00 H new ATOM 548 N GLU A 34 -1.634 6.536 3.491 1.00 0.00 N ATOM 549 CA GLU A 34 -1.760 5.181 2.963 1.00 0.00 C ATOM 550 C GLU A 34 -0.535 4.775 2.153 1.00 0.00 C ATOM 551 O GLU A 34 0.481 5.470 2.149 1.00 0.00 O ATOM 552 CB GLU A 34 -3.020 5.061 2.104 1.00 0.00 C ATOM 553 CG GLU A 34 -3.763 3.749 2.293 1.00 0.00 C ATOM 554 CD GLU A 34 -5.267 3.934 2.348 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.782 4.827 1.644 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.931 3.185 3.096 1.00 0.00 O ATOM 0 H GLU A 34 -1.696 7.273 2.788 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.837 4.503 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.691 5.886 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.745 5.165 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.513 3.073 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.425 3.274 3.214 1.00 0.00 H new ATOM 563 N PHE A 35 -0.639 3.637 1.473 1.00 0.00 N ATOM 564 CA PHE A 35 0.461 3.126 0.661 1.00 0.00 C ATOM 565 C PHE A 35 0.058 3.001 -0.809 1.00 0.00 C ATOM 566 O PHE A 35 -1.118 3.104 -1.157 1.00 0.00 O ATOM 567 CB PHE A 35 0.945 1.764 1.181 1.00 0.00 C ATOM 568 CG PHE A 35 0.466 1.414 2.565 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.875 1.158 2.808 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.360 1.337 3.621 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.314 0.834 4.078 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.925 1.013 4.893 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.414 0.762 5.122 1.00 0.00 C ATOM 0 H PHE A 35 -1.474 3.051 1.468 1.00 0.00 H new ATOM 0 HA PHE A 35 1.277 3.845 0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.615 0.988 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.035 1.754 1.175 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.585 1.212 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.408 1.532 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.361 0.637 4.253 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.632 0.956 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.756 0.510 6.115 1.00 0.00 H new ATOM 583 N PRO A 36 1.048 2.775 -1.691 1.00 0.00 N ATOM 584 CA PRO A 36 0.833 2.630 -3.133 1.00 0.00 C ATOM 585 C PRO A 36 0.412 1.218 -3.534 1.00 0.00 C ATOM 586 O PRO A 36 0.521 0.279 -2.750 1.00 0.00 O ATOM 587 CB PRO A 36 2.207 2.951 -3.711 1.00 0.00 C ATOM 588 CG PRO A 36 3.167 2.475 -2.675 1.00 0.00 C ATOM 589 CD PRO A 36 2.478 2.643 -1.343 1.00 0.00 C ATOM 0 HA PRO A 36 0.028 3.272 -3.490 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.366 2.444 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.320 4.019 -3.896 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.435 1.432 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.092 3.051 -2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.653 1.786 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.842 3.524 -0.814 1.00 0.00 H new ATOM 597 N GLY A 37 -0.054 1.079 -4.772 1.00 0.00 N ATOM 598 CA GLY A 37 -0.476 -0.218 -5.278 1.00 0.00 C ATOM 599 C GLY A 37 -1.983 -0.419 -5.319 1.00 0.00 C ATOM 600 O GLY A 37 -2.455 -1.431 -5.830 1.00 0.00 O ATOM 0 H GLY A 37 -0.148 1.846 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.077 -0.349 -6.284 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.035 -0.997 -4.657 1.00 0.00 H new ATOM 604 N GLY A 38 -2.737 0.539 -4.805 1.00 0.00 N ATOM 605 CA GLY A 38 -4.187 0.442 -4.817 1.00 0.00 C ATOM 606 C GLY A 38 -4.765 0.404 -6.223 1.00 0.00 C ATOM 607 O GLY A 38 -4.059 0.683 -7.196 1.00 0.00 O ATOM 0 H GLY A 38 -2.371 1.389 -4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.491 -0.457 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.608 1.292 -4.279 1.00 0.00 H new ATOM 611 N LYS A 39 -6.053 0.062 -6.325 1.00 0.00 N ATOM 612 CA LYS A 39 -6.749 -0.013 -7.608 1.00 0.00 C ATOM 613 C LYS A 39 -6.449 -1.319 -8.339 1.00 0.00 C ATOM 614 O LYS A 39 -6.843 -1.493 -9.491 1.00 0.00 O ATOM 615 CB LYS A 39 -6.402 1.183 -8.498 1.00 0.00 C ATOM 616 CG LYS A 39 -7.192 1.217 -9.795 1.00 0.00 C ATOM 617 CD LYS A 39 -7.784 2.595 -10.054 1.00 0.00 C ATOM 618 CE LYS A 39 -9.180 2.721 -9.464 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.165 3.416 -8.147 1.00 0.00 N ATOM 0 H LYS A 39 -6.638 -0.169 -5.522 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.817 0.014 -7.391 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.586 2.104 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.337 1.157 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.543 0.937 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.992 0.478 -9.754 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.135 3.358 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.823 2.779 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.819 3.269 -10.157 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.615 1.729 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.135 3.482 -7.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.576 2.880 -7.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.773 4.372 -8.264 1.00 0.00 H new ATOM 633 N ILE A 40 -5.772 -2.247 -7.664 1.00 0.00 N ATOM 634 CA ILE A 40 -5.461 -3.537 -8.271 1.00 0.00 C ATOM 635 C ILE A 40 -6.742 -4.233 -8.701 1.00 0.00 C ATOM 636 O ILE A 40 -6.757 -5.044 -9.627 1.00 0.00 O ATOM 637 CB ILE A 40 -4.667 -4.452 -7.317 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.593 -5.134 -6.294 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.582 -3.642 -6.624 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.119 -6.509 -5.873 1.00 0.00 C ATOM 0 H ILE A 40 -5.433 -2.131 -6.709 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.834 -3.343 -9.142 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.199 -5.245 -7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.675 -4.500 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.593 -5.218 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.020 -4.288 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.907 -3.223 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.040 -2.833 -6.054 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.819 -6.930 -5.151 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.064 -7.158 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.132 -6.430 -5.417 1.00 0.00 H new ATOM 652 N GLU A 41 -7.813 -3.890 -8.000 1.00 0.00 N ATOM 653 CA GLU A 41 -9.136 -4.441 -8.252 1.00 0.00 C ATOM 654 C GLU A 41 -9.422 -4.521 -9.747 1.00 0.00 C ATOM 655 O GLU A 41 -9.486 -5.611 -10.311 1.00 0.00 O ATOM 656 CB GLU A 41 -10.195 -3.583 -7.552 1.00 0.00 C ATOM 657 CG GLU A 41 -9.898 -2.084 -7.574 1.00 0.00 C ATOM 658 CD GLU A 41 -10.939 -1.291 -8.340 1.00 0.00 C ATOM 659 OE1 GLU A 41 -11.563 -1.863 -9.259 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.130 -0.099 -8.021 1.00 0.00 O ATOM 0 H GLU A 41 -7.788 -3.216 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.171 -5.454 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.161 -3.758 -8.026 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.285 -3.910 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.846 -1.713 -6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.919 -1.919 -8.023 1.00 0.00 H new ATOM 667 N MET A 42 -9.584 -3.352 -10.372 1.00 0.00 N ATOM 668 CA MET A 42 -9.859 -3.246 -11.812 1.00 0.00 C ATOM 669 C MET A 42 -10.407 -4.550 -12.401 1.00 0.00 C ATOM 670 O MET A 42 -11.621 -4.738 -12.488 1.00 0.00 O ATOM 671 CB MET A 42 -8.590 -2.828 -12.559 1.00 0.00 C ATOM 672 CG MET A 42 -8.203 -1.376 -12.337 1.00 0.00 C ATOM 673 SD MET A 42 -9.384 -0.223 -13.064 1.00 0.00 S ATOM 674 CE MET A 42 -8.567 0.168 -14.610 1.00 0.00 C ATOM 0 H MET A 42 -9.529 -2.451 -9.897 1.00 0.00 H new ATOM 0 HA MET A 42 -10.629 -2.485 -11.938 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.766 -3.467 -12.243 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.734 -2.998 -13.626 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.126 -1.184 -11.267 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.216 -1.198 -12.765 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.176 0.873 -15.175 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.593 0.613 -14.405 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.434 -0.744 -15.192 1.00 0.00 H new ATOM 684 N GLY A 43 -9.507 -5.446 -12.804 1.00 0.00 N ATOM 685 CA GLY A 43 -9.925 -6.712 -13.376 1.00 0.00 C ATOM 686 C GLY A 43 -8.772 -7.663 -13.603 1.00 0.00 C ATOM 687 O GLY A 43 -8.802 -8.485 -14.519 1.00 0.00 O ATOM 0 H GLY A 43 -8.497 -5.316 -12.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.652 -7.182 -12.714 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.430 -6.528 -14.324 1.00 0.00 H new ATOM 691 N GLU A 44 -7.755 -7.548 -12.770 1.00 0.00 N ATOM 692 CA GLU A 44 -6.574 -8.399 -12.875 1.00 0.00 C ATOM 693 C GLU A 44 -6.753 -9.689 -12.079 1.00 0.00 C ATOM 694 O GLU A 44 -7.847 -9.987 -11.600 1.00 0.00 O ATOM 695 CB GLU A 44 -5.333 -7.646 -12.389 1.00 0.00 C ATOM 696 CG GLU A 44 -4.420 -7.188 -13.514 1.00 0.00 C ATOM 697 CD GLU A 44 -4.607 -5.722 -13.855 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.209 -4.867 -13.035 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.149 -5.429 -14.941 1.00 0.00 O ATOM 0 H GLU A 44 -7.719 -6.871 -12.008 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.441 -8.664 -13.924 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.649 -6.777 -11.812 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.769 -8.290 -11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.382 -7.362 -13.229 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.612 -7.791 -14.401 1.00 0.00 H new ATOM 706 N THR A 45 -5.670 -10.451 -11.938 1.00 0.00 N ATOM 707 CA THR A 45 -5.708 -11.707 -11.200 1.00 0.00 C ATOM 708 C THR A 45 -5.149 -11.514 -9.793 1.00 0.00 C ATOM 709 O THR A 45 -4.364 -10.600 -9.552 1.00 0.00 O ATOM 710 CB THR A 45 -4.904 -12.781 -11.942 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.439 -12.292 -13.188 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.693 -14.043 -12.213 1.00 0.00 C ATOM 0 H THR A 45 -4.756 -10.218 -12.326 1.00 0.00 H new ATOM 0 HA THR A 45 -6.745 -12.033 -11.122 1.00 0.00 H new ATOM 0 HB THR A 45 -4.075 -13.025 -11.278 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.927 -12.992 -13.644 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.063 -14.760 -12.740 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.023 -14.476 -11.269 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.562 -13.804 -12.826 1.00 0.00 H new ATOM 720 N PRO A 46 -5.538 -12.377 -8.839 1.00 0.00 N ATOM 721 CA PRO A 46 -5.065 -12.296 -7.457 1.00 0.00 C ATOM 722 C PRO A 46 -3.553 -12.088 -7.368 1.00 0.00 C ATOM 723 O PRO A 46 -3.049 -11.560 -6.377 1.00 0.00 O ATOM 724 CB PRO A 46 -5.460 -13.656 -6.854 1.00 0.00 C ATOM 725 CG PRO A 46 -5.963 -14.479 -7.996 1.00 0.00 C ATOM 726 CD PRO A 46 -6.460 -13.502 -9.019 1.00 0.00 C ATOM 0 HA PRO A 46 -5.499 -11.445 -6.932 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.606 -14.134 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.228 -13.536 -6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.170 -15.104 -8.406 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.761 -15.147 -7.674 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.414 -13.910 -10.029 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.496 -13.214 -8.839 1.00 0.00 H new ATOM 734 N GLU A 47 -2.835 -12.508 -8.407 1.00 0.00 N ATOM 735 CA GLU A 47 -1.384 -12.369 -8.436 1.00 0.00 C ATOM 736 C GLU A 47 -0.948 -11.224 -9.352 1.00 0.00 C ATOM 737 O GLU A 47 -0.019 -10.485 -9.031 1.00 0.00 O ATOM 738 CB GLU A 47 -0.737 -13.677 -8.896 1.00 0.00 C ATOM 739 CG GLU A 47 -0.252 -14.551 -7.751 1.00 0.00 C ATOM 740 CD GLU A 47 0.723 -15.620 -8.205 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.310 -15.463 -9.296 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.899 -16.614 -7.469 1.00 0.00 O ATOM 0 H GLU A 47 -3.234 -12.946 -9.237 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.053 -12.137 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.457 -14.239 -9.491 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.105 -13.446 -9.548 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.226 -13.924 -6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.109 -15.026 -7.273 1.00 0.00 H new ATOM 749 N GLN A 48 -1.616 -11.086 -10.495 1.00 0.00 N ATOM 750 CA GLN A 48 -1.283 -10.035 -11.451 1.00 0.00 C ATOM 751 C GLN A 48 -1.880 -8.691 -11.040 1.00 0.00 C ATOM 752 O GLN A 48 -1.518 -7.652 -11.588 1.00 0.00 O ATOM 753 CB GLN A 48 -1.773 -10.417 -12.849 1.00 0.00 C ATOM 754 CG GLN A 48 -0.943 -11.506 -13.509 1.00 0.00 C ATOM 755 CD GLN A 48 -0.689 -11.234 -14.979 1.00 0.00 C ATOM 756 OE1 GLN A 48 -1.623 -11.135 -15.774 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.582 -11.114 -15.347 1.00 0.00 N ATOM 0 H GLN A 48 -2.389 -11.687 -10.780 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.198 -9.931 -11.463 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.809 -10.751 -12.783 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.764 -9.530 -13.483 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.011 -11.596 -12.990 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.455 -12.463 -13.403 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.324 -11.204 -14.653 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.815 -10.932 -16.323 1.00 0.00 H new ATOM 766 N ALA A 49 -2.794 -8.712 -10.077 1.00 0.00 N ATOM 767 CA ALA A 49 -3.431 -7.489 -9.609 1.00 0.00 C ATOM 768 C ALA A 49 -2.396 -6.503 -9.090 1.00 0.00 C ATOM 769 O ALA A 49 -2.359 -5.347 -9.510 1.00 0.00 O ATOM 770 CB ALA A 49 -4.451 -7.805 -8.526 1.00 0.00 C ATOM 0 H ALA A 49 -3.109 -9.560 -9.607 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.946 -7.029 -10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.919 -6.881 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.214 -8.471 -8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.952 -8.289 -7.687 1.00 0.00 H new ATOM 776 N VAL A 50 -1.554 -6.967 -8.177 1.00 0.00 N ATOM 777 CA VAL A 50 -0.514 -6.127 -7.601 1.00 0.00 C ATOM 778 C VAL A 50 0.671 -5.979 -8.551 1.00 0.00 C ATOM 779 O VAL A 50 1.190 -4.883 -8.745 1.00 0.00 O ATOM 780 CB VAL A 50 -0.009 -6.694 -6.256 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.178 -7.106 -5.374 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.939 -7.865 -6.488 1.00 0.00 C ATOM 0 H VAL A 50 -1.571 -7.922 -7.819 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.963 -5.149 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 50 0.544 -5.910 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.801 -7.503 -4.432 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.808 -6.239 -5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.764 -7.872 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.283 -8.250 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.417 -8.654 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.795 -7.529 -7.073 1.00 0.00 H new ATOM 792 N VAL A 51 1.101 -7.100 -9.124 1.00 0.00 N ATOM 793 CA VAL A 51 2.236 -7.114 -10.035 1.00 0.00 C ATOM 794 C VAL A 51 1.974 -6.250 -11.257 1.00 0.00 C ATOM 795 O VAL A 51 2.854 -5.517 -11.709 1.00 0.00 O ATOM 796 CB VAL A 51 2.569 -8.550 -10.488 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.842 -8.571 -11.322 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.694 -9.475 -9.286 1.00 0.00 C ATOM 0 H VAL A 51 0.676 -8.014 -8.971 1.00 0.00 H new ATOM 0 HA VAL A 51 3.087 -6.706 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 51 1.751 -8.910 -11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.058 -9.594 -11.631 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.709 -7.946 -12.205 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.672 -8.188 -10.728 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.929 -10.484 -9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.490 -9.117 -8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.752 -9.487 -8.737 1.00 0.00 H new ATOM 808 N ARG A 52 0.764 -6.335 -11.792 1.00 0.00 N ATOM 809 CA ARG A 52 0.412 -5.550 -12.963 1.00 0.00 C ATOM 810 C ARG A 52 0.116 -4.108 -12.573 1.00 0.00 C ATOM 811 O ARG A 52 0.469 -3.174 -13.292 1.00 0.00 O ATOM 812 CB ARG A 52 -0.788 -6.159 -13.688 1.00 0.00 C ATOM 813 CG ARG A 52 -1.007 -5.593 -15.082 1.00 0.00 C ATOM 814 CD ARG A 52 -0.007 -6.158 -16.077 1.00 0.00 C ATOM 815 NE ARG A 52 -0.532 -6.161 -17.440 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.560 -6.908 -17.836 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.175 -7.712 -16.978 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.974 -6.851 -19.095 1.00 0.00 N ATOM 0 H ARG A 52 0.018 -6.933 -11.437 1.00 0.00 H new ATOM 0 HA ARG A 52 1.264 -5.560 -13.642 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.649 -7.238 -13.760 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.685 -5.992 -13.092 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.020 -5.821 -15.413 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.919 -4.507 -15.053 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.910 -5.569 -16.043 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.256 -7.175 -15.788 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.085 -5.555 -18.128 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.861 -7.760 -16.009 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.962 -8.282 -17.288 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.505 -6.235 -19.759 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.762 -7.423 -19.399 1.00 0.00 H new ATOM 832 N GLU A 53 -0.524 -3.935 -11.424 1.00 0.00 N ATOM 833 CA GLU A 53 -0.855 -2.606 -10.932 1.00 0.00 C ATOM 834 C GLU A 53 0.385 -1.916 -10.372 1.00 0.00 C ATOM 835 O GLU A 53 0.418 -0.695 -10.247 1.00 0.00 O ATOM 836 CB GLU A 53 -1.938 -2.686 -9.855 1.00 0.00 C ATOM 837 CG GLU A 53 -2.488 -1.330 -9.448 1.00 0.00 C ATOM 838 CD GLU A 53 -3.749 -0.962 -10.205 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.405 -1.875 -10.747 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.079 0.240 -10.257 1.00 0.00 O ATOM 0 H GLU A 53 -0.824 -4.698 -10.817 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.234 -2.020 -11.769 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.756 -3.307 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.529 -3.182 -8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.698 -1.333 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.729 -0.567 -9.621 1.00 0.00 H new ATOM 847 N LEU A 54 1.404 -2.707 -10.037 1.00 0.00 N ATOM 848 CA LEU A 54 2.642 -2.163 -9.495 1.00 0.00 C ATOM 849 C LEU A 54 3.251 -1.158 -10.459 1.00 0.00 C ATOM 850 O LEU A 54 3.675 -0.078 -10.057 1.00 0.00 O ATOM 851 CB LEU A 54 3.641 -3.285 -9.211 1.00 0.00 C ATOM 852 CG LEU A 54 4.346 -3.195 -7.858 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.347 -2.948 -6.734 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.143 -4.462 -7.599 1.00 0.00 C ATOM 0 H LEU A 54 1.394 -3.723 -10.132 1.00 0.00 H new ATOM 0 HA LEU A 54 2.409 -1.654 -8.559 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.118 -4.240 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.396 -3.287 -9.998 1.00 0.00 H new ATOM 0 HG LEU A 54 5.032 -2.348 -7.884 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.877 -2.888 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.820 -2.011 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.629 -3.767 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.641 -4.387 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.471 -5.320 -7.595 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.889 -4.589 -8.383 1.00 0.00 H new ATOM 866 N GLN A 55 3.271 -1.510 -11.738 1.00 0.00 N ATOM 867 CA GLN A 55 3.807 -0.617 -12.755 1.00 0.00 C ATOM 868 C GLN A 55 2.963 0.649 -12.801 1.00 0.00 C ATOM 869 O GLN A 55 3.476 1.751 -12.998 1.00 0.00 O ATOM 870 CB GLN A 55 3.810 -1.307 -14.122 1.00 0.00 C ATOM 871 CG GLN A 55 5.193 -1.412 -14.746 1.00 0.00 C ATOM 872 CD GLN A 55 5.566 -0.180 -15.546 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.037 0.907 -15.318 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.484 -0.345 -16.492 1.00 0.00 N ATOM 0 H GLN A 55 2.925 -2.401 -12.093 1.00 0.00 H new ATOM 0 HA GLN A 55 4.836 -0.357 -12.504 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.391 -2.308 -14.016 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.156 -0.758 -14.799 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.932 -1.567 -13.960 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.229 -2.287 -15.395 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.897 -1.265 -16.647 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.776 0.448 -17.063 1.00 0.00 H new ATOM 883 N GLU A 56 1.662 0.472 -12.599 1.00 0.00 N ATOM 884 CA GLU A 56 0.722 1.582 -12.593 1.00 0.00 C ATOM 885 C GLU A 56 0.790 2.347 -11.283 1.00 0.00 C ATOM 886 O GLU A 56 0.415 3.516 -11.222 1.00 0.00 O ATOM 887 CB GLU A 56 -0.701 1.073 -12.792 1.00 0.00 C ATOM 888 CG GLU A 56 -1.679 2.149 -13.234 1.00 0.00 C ATOM 889 CD GLU A 56 -2.509 2.693 -12.085 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.161 2.419 -10.915 1.00 0.00 O ATOM 891 OE2 GLU A 56 -3.507 3.396 -12.354 1.00 0.00 O ATOM 0 H GLU A 56 1.233 -0.439 -12.436 1.00 0.00 H new ATOM 0 HA GLU A 56 0.995 2.249 -13.411 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.692 0.276 -13.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.054 0.635 -11.859 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.128 2.967 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.343 1.740 -13.995 1.00 0.00 H new ATOM 898 N GLU A 57 1.238 1.677 -10.225 1.00 0.00 N ATOM 899 CA GLU A 57 1.314 2.309 -8.919 1.00 0.00 C ATOM 900 C GLU A 57 2.758 2.594 -8.501 1.00 0.00 C ATOM 901 O GLU A 57 3.008 3.061 -7.391 1.00 0.00 O ATOM 902 CB GLU A 57 0.630 1.429 -7.876 1.00 0.00 C ATOM 903 CG GLU A 57 -0.884 1.396 -8.016 1.00 0.00 C ATOM 904 CD GLU A 57 -1.552 2.617 -7.415 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.786 2.624 -6.189 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.839 3.567 -8.174 1.00 0.00 O ATOM 0 H GLU A 57 1.550 0.706 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 57 0.799 3.267 -8.986 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.018 0.413 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.888 1.790 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.146 1.326 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.271 0.499 -7.531 1.00 0.00 H new ATOM 913 N VAL A 58 3.698 2.333 -9.402 1.00 0.00 N ATOM 914 CA VAL A 58 5.107 2.584 -9.136 1.00 0.00 C ATOM 915 C VAL A 58 5.741 3.270 -10.333 1.00 0.00 C ATOM 916 O VAL A 58 6.488 4.237 -10.192 1.00 0.00 O ATOM 917 CB VAL A 58 5.874 1.281 -8.834 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.310 1.582 -8.438 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.180 0.486 -7.740 1.00 0.00 C ATOM 0 H VAL A 58 3.507 1.946 -10.326 1.00 0.00 H new ATOM 0 HA VAL A 58 5.167 3.226 -8.257 1.00 0.00 H new ATOM 0 HB VAL A 58 5.885 0.679 -9.742 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.833 0.649 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.811 2.104 -9.254 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.318 2.209 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.739 -0.429 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.133 1.084 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.170 0.232 -8.060 1.00 0.00 H new ATOM 929 N GLY A 59 5.416 2.762 -11.518 1.00 0.00 N ATOM 930 CA GLY A 59 5.931 3.324 -12.748 1.00 0.00 C ATOM 931 C GLY A 59 7.414 3.101 -12.950 1.00 0.00 C ATOM 932 O GLY A 59 7.863 2.813 -14.059 1.00 0.00 O ATOM 0 H GLY A 59 4.797 1.961 -11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.390 2.890 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.730 4.395 -12.759 1.00 0.00 H new ATOM 936 N ILE A 60 8.168 3.241 -11.882 1.00 0.00 N ATOM 937 CA ILE A 60 9.609 3.065 -11.928 1.00 0.00 C ATOM 938 C ILE A 60 9.982 1.590 -11.951 1.00 0.00 C ATOM 939 O ILE A 60 9.114 0.717 -11.997 1.00 0.00 O ATOM 940 CB ILE A 60 10.333 3.735 -10.734 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.405 3.958 -9.537 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.968 5.048 -11.162 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.135 3.924 -8.211 1.00 0.00 C ATOM 0 H ILE A 60 7.805 3.479 -10.959 1.00 0.00 H new ATOM 0 HA ILE A 60 9.935 3.550 -12.848 1.00 0.00 H new ATOM 0 HB ILE A 60 11.115 3.047 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.905 4.920 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.629 3.193 -9.538 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.472 5.503 -10.309 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.693 4.860 -11.954 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.195 5.723 -11.530 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.425 4.088 -7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.613 2.953 -8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.893 4.707 -8.193 1.00 0.00 H new ATOM 955 N THR A 61 11.282 1.325 -11.919 1.00 0.00 N ATOM 956 CA THR A 61 11.799 -0.023 -11.932 1.00 0.00 C ATOM 957 C THR A 61 12.466 -0.337 -10.598 1.00 0.00 C ATOM 958 O THR A 61 13.656 -0.082 -10.417 1.00 0.00 O ATOM 959 CB THR A 61 12.814 -0.130 -13.054 1.00 0.00 C ATOM 960 OG1 THR A 61 13.494 1.101 -13.227 1.00 0.00 O ATOM 961 CG2 THR A 61 12.197 -0.500 -14.384 1.00 0.00 C ATOM 0 H THR A 61 12.003 2.046 -11.883 1.00 0.00 H new ATOM 0 HA THR A 61 10.988 -0.735 -12.088 1.00 0.00 H new ATOM 0 HB THR A 61 13.497 -0.925 -12.754 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.146 1.015 -13.953 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.977 -0.560 -15.143 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.699 -1.466 -14.298 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.469 0.259 -14.671 1.00 0.00 H new ATOM 969 N PRO A 62 11.697 -0.845 -9.624 1.00 0.00 N ATOM 970 CA PRO A 62 12.186 -1.136 -8.292 1.00 0.00 C ATOM 971 C PRO A 62 12.295 -2.618 -7.974 1.00 0.00 C ATOM 972 O PRO A 62 11.542 -3.432 -8.509 1.00 0.00 O ATOM 973 CB PRO A 62 11.041 -0.547 -7.483 1.00 0.00 C ATOM 974 CG PRO A 62 9.821 -0.963 -8.247 1.00 0.00 C ATOM 975 CD PRO A 62 10.253 -1.119 -9.690 1.00 0.00 C ATOM 0 HA PRO A 62 13.192 -0.754 -8.116 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.028 -0.935 -6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.118 0.538 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.420 -1.899 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.032 -0.216 -8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.047 -2.120 -10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.737 -0.418 -10.346 1.00 0.00 H new ATOM 983 N GLN A 63 13.176 -2.957 -7.036 1.00 0.00 N ATOM 984 CA GLN A 63 13.288 -4.323 -6.595 1.00 0.00 C ATOM 985 C GLN A 63 12.193 -4.496 -5.547 1.00 0.00 C ATOM 986 O GLN A 63 12.398 -4.349 -4.344 1.00 0.00 O ATOM 987 CB GLN A 63 14.705 -4.604 -6.062 1.00 0.00 C ATOM 988 CG GLN A 63 14.841 -4.606 -4.551 1.00 0.00 C ATOM 989 CD GLN A 63 16.225 -5.018 -4.086 1.00 0.00 C ATOM 990 OE1 GLN A 63 16.855 -4.325 -3.288 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.704 -6.152 -4.584 1.00 0.00 N ATOM 0 H GLN A 63 13.812 -2.304 -6.578 1.00 0.00 H new ATOM 0 HA GLN A 63 13.150 -5.046 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 63 15.033 -5.572 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 63 15.384 -3.855 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.616 -3.610 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.102 -5.285 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.147 -6.695 -5.243 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.629 -6.480 -4.307 1.00 0.00 H new ATOM 1000 N HIS A 64 10.994 -4.710 -6.054 1.00 0.00 N ATOM 1001 CA HIS A 64 9.805 -4.806 -5.231 1.00 0.00 C ATOM 1002 C HIS A 64 9.118 -6.140 -5.446 1.00 0.00 C ATOM 1003 O HIS A 64 8.849 -6.531 -6.582 1.00 0.00 O ATOM 1004 CB HIS A 64 8.907 -3.627 -5.626 1.00 0.00 C ATOM 1005 CG HIS A 64 7.472 -3.672 -5.169 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.733 -4.831 -5.012 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.629 -2.657 -4.861 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.507 -4.522 -4.627 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.418 -3.211 -4.528 1.00 0.00 N ATOM 0 H HIS A 64 10.817 -4.823 -7.052 1.00 0.00 H new ATOM 0 HA HIS A 64 10.045 -4.756 -4.169 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.357 -2.714 -5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.913 -3.547 -6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.867 -1.604 -4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.712 -5.225 -4.427 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.585 -2.692 -4.249 1.00 0.00 H new ATOM 1018 N PHE A 65 8.847 -6.850 -4.354 1.00 0.00 N ATOM 1019 CA PHE A 65 8.207 -8.152 -4.452 1.00 0.00 C ATOM 1020 C PHE A 65 7.971 -8.779 -3.081 1.00 0.00 C ATOM 1021 O PHE A 65 8.573 -8.373 -2.088 1.00 0.00 O ATOM 1022 CB PHE A 65 9.092 -9.071 -5.270 1.00 0.00 C ATOM 1023 CG PHE A 65 8.340 -10.151 -5.996 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.704 -9.877 -7.196 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.267 -11.435 -5.480 1.00 0.00 C ATOM 1026 CE1 PHE A 65 7.010 -10.863 -7.869 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.572 -12.426 -6.149 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.943 -12.138 -7.345 1.00 0.00 C ATOM 0 H PHE A 65 9.059 -6.548 -3.403 1.00 0.00 H new ATOM 0 HA PHE A 65 7.236 -8.016 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.645 -8.475 -5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.827 -9.533 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.752 -8.881 -7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.758 -11.664 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.520 -10.637 -8.805 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.521 -13.423 -5.737 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.399 -12.910 -7.869 1.00 0.00 H new ATOM 1038 N SER A 66 7.098 -9.788 -3.049 1.00 0.00 N ATOM 1039 CA SER A 66 6.765 -10.507 -1.818 1.00 0.00 C ATOM 1040 C SER A 66 5.657 -9.791 -1.059 1.00 0.00 C ATOM 1041 O SER A 66 5.492 -8.580 -1.185 1.00 0.00 O ATOM 1042 CB SER A 66 7.996 -10.672 -0.921 1.00 0.00 C ATOM 1043 OG SER A 66 7.910 -11.857 -0.148 1.00 0.00 O ATOM 0 H SER A 66 6.603 -10.129 -3.873 1.00 0.00 H new ATOM 0 HA SER A 66 6.413 -11.499 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.896 -10.699 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.087 -9.809 -0.261 1.00 0.00 H new ATOM 0 HG SER A 66 8.708 -11.939 0.414 1.00 0.00 H new ATOM 1049 N LEU A 67 4.897 -10.549 -0.275 1.00 0.00 N ATOM 1050 CA LEU A 67 3.802 -9.981 0.500 1.00 0.00 C ATOM 1051 C LEU A 67 4.104 -10.040 1.994 1.00 0.00 C ATOM 1052 O LEU A 67 4.462 -11.092 2.524 1.00 0.00 O ATOM 1053 CB LEU A 67 2.489 -10.710 0.186 1.00 0.00 C ATOM 1054 CG LEU A 67 2.191 -11.941 1.048 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.490 -11.534 2.335 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.347 -12.940 0.273 1.00 0.00 C ATOM 0 H LEU A 67 5.019 -11.555 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 67 3.693 -8.934 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.667 -10.003 0.297 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.506 -11.017 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 67 3.136 -12.417 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.286 -12.421 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.129 -10.854 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.551 -11.034 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.144 -13.809 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.405 -12.474 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.885 -13.255 -0.621 1.00 0.00 H new ATOM 1068 N PHE A 68 3.951 -8.906 2.669 1.00 0.00 N ATOM 1069 CA PHE A 68 4.202 -8.837 4.103 1.00 0.00 C ATOM 1070 C PHE A 68 3.036 -9.457 4.872 1.00 0.00 C ATOM 1071 O PHE A 68 3.232 -10.322 5.725 1.00 0.00 O ATOM 1072 CB PHE A 68 4.441 -7.377 4.527 1.00 0.00 C ATOM 1073 CG PHE A 68 3.473 -6.849 5.552 1.00 0.00 C ATOM 1074 CD1 PHE A 68 3.637 -7.141 6.896 1.00 0.00 C ATOM 1075 CD2 PHE A 68 2.407 -6.055 5.168 1.00 0.00 C ATOM 1076 CE1 PHE A 68 2.753 -6.650 7.838 1.00 0.00 C ATOM 1077 CE2 PHE A 68 1.518 -5.562 6.105 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.692 -5.858 7.442 1.00 0.00 C ATOM 0 H PHE A 68 3.655 -8.025 2.248 1.00 0.00 H new ATOM 0 HA PHE A 68 5.100 -9.408 4.339 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.452 -7.290 4.925 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.391 -6.744 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.465 -7.759 7.211 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.268 -5.817 4.124 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.891 -6.885 8.883 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.688 -4.946 5.791 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.001 -5.472 8.177 1.00 0.00 H new ATOM 1088 N GLU A 69 1.825 -9.014 4.551 1.00 0.00 N ATOM 1089 CA GLU A 69 0.621 -9.527 5.196 1.00 0.00 C ATOM 1090 C GLU A 69 -0.625 -9.005 4.489 1.00 0.00 C ATOM 1091 O GLU A 69 -0.740 -7.813 4.222 1.00 0.00 O ATOM 1092 CB GLU A 69 0.593 -9.126 6.671 1.00 0.00 C ATOM 1093 CG GLU A 69 1.229 -10.152 7.594 1.00 0.00 C ATOM 1094 CD GLU A 69 0.393 -10.423 8.831 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.510 -9.613 9.127 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.644 -11.445 9.504 1.00 0.00 O ATOM 0 H GLU A 69 1.651 -8.298 3.845 1.00 0.00 H new ATOM 0 HA GLU A 69 0.633 -10.615 5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.110 -8.174 6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.441 -8.967 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.376 -11.084 7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.215 -9.801 7.897 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.558 -9.896 4.184 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.785 -9.500 3.502 1.00 0.00 C ATOM 1105 C LYS A 70 -3.996 -9.647 4.420 1.00 0.00 C ATOM 1106 O LYS A 70 -4.174 -10.680 5.066 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.985 -10.336 2.238 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.801 -11.828 2.460 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.169 -12.624 1.218 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.302 -14.106 1.528 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.406 -14.739 0.754 1.00 0.00 N ATOM 0 H LYS A 70 -1.491 -10.892 4.396 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.690 -8.450 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.987 -10.156 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.281 -10.001 1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.765 -12.032 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.419 -12.152 3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.108 -12.251 0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.408 -12.478 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.363 -14.610 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.484 -14.239 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.463 -15.749 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.306 -14.275 0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.220 -14.635 -0.264 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.824 -8.609 4.470 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.018 -8.620 5.303 1.00 0.00 C ATOM 1127 C LEU A 71 -7.276 -8.680 4.440 1.00 0.00 C ATOM 1128 O LEU A 71 -7.424 -7.912 3.489 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.047 -7.376 6.195 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.347 -7.160 6.973 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.262 -7.807 8.346 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.652 -5.674 7.099 1.00 0.00 C ATOM 0 H LEU A 71 -4.688 -7.747 3.941 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.992 -9.508 5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.223 -7.440 6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.865 -6.499 5.574 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.160 -7.632 6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.196 -7.643 8.884 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.091 -8.878 8.234 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.438 -7.365 8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.580 -5.539 7.655 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.837 -5.179 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.758 -5.239 6.105 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.179 -9.595 4.779 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.420 -9.753 4.037 1.00 0.00 C ATOM 1146 C GLU A 72 -10.625 -9.548 4.954 1.00 0.00 C ATOM 1147 O GLU A 72 -10.906 -10.375 5.821 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.469 -11.143 3.392 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.864 -11.591 2.991 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.852 -12.596 1.856 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.124 -12.366 0.867 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.570 -13.613 1.955 1.00 0.00 O ATOM 0 H GLU A 72 -8.072 -10.238 5.564 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.457 -8.997 3.252 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.830 -11.145 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.052 -11.870 4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.362 -12.031 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.449 -10.721 2.694 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.333 -8.441 4.753 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.508 -8.126 5.557 1.00 0.00 C ATOM 1161 C TYR A 73 -13.605 -7.508 4.696 1.00 0.00 C ATOM 1162 O TYR A 73 -13.322 -6.786 3.740 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.134 -7.173 6.694 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.709 -5.800 6.222 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.426 -5.577 5.738 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.592 -4.728 6.259 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.034 -4.325 5.305 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.208 -3.472 5.827 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.928 -3.277 5.352 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.543 -2.028 4.921 1.00 0.00 O ATOM 0 H TYR A 73 -11.113 -7.746 4.039 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.887 -9.055 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.987 -7.069 7.364 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.324 -7.615 7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.723 -6.396 5.700 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.595 -4.878 6.631 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.033 -4.168 4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.906 -2.649 5.861 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.291 -1.403 5.020 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.857 -7.794 5.039 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.990 -7.260 4.292 1.00 0.00 C ATOM 1182 C GLU A 74 -16.903 -6.435 5.191 1.00 0.00 C ATOM 1183 O GLU A 74 -17.160 -6.795 6.340 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.791 -8.387 3.633 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.926 -9.630 4.497 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.351 -10.849 3.702 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.219 -10.708 2.816 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.817 -11.946 3.968 1.00 0.00 O ATOM 0 H GLU A 74 -15.112 -8.390 5.826 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.590 -6.610 3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.786 -8.017 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.311 -8.660 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.973 -9.834 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.655 -9.443 5.285 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.390 -5.327 4.649 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.278 -4.433 5.370 1.00 0.00 C ATOM 1197 C PHE A 75 -19.737 -4.854 5.177 1.00 0.00 C ATOM 1198 O PHE A 75 -20.047 -5.628 4.273 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.067 -2.997 4.885 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.178 -2.168 5.775 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.210 -2.308 7.156 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -16.304 -1.243 5.223 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.391 -1.543 7.964 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.484 -0.476 6.027 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.528 -0.625 7.399 1.00 0.00 C ATOM 0 H PHE A 75 -17.179 -5.025 3.698 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.047 -4.487 6.434 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.637 -3.023 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.037 -2.507 4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.883 -3.024 7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -16.264 -1.121 4.151 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.426 -1.663 9.037 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.809 0.240 5.583 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.889 -0.025 8.029 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.650 -4.353 6.030 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.077 -4.678 5.954 1.00 0.00 C ATOM 1217 C PRO A 76 -22.647 -4.445 4.561 1.00 0.00 C ATOM 1218 O PRO A 76 -23.205 -3.386 4.275 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.731 -3.729 6.971 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.680 -2.728 7.315 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.366 -3.424 7.119 1.00 0.00 C ATOM 0 HA PRO A 76 -22.262 -5.731 6.167 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.610 -3.245 6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.062 -4.271 7.857 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.755 -1.848 6.676 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.790 -2.385 8.344 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.573 -2.724 6.857 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.046 -3.945 8.021 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.488 -5.455 3.708 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.965 -5.424 2.319 1.00 0.00 C ATOM 1231 C ASP A 77 -21.867 -4.950 1.367 1.00 0.00 C ATOM 1232 O ASP A 77 -22.137 -4.596 0.220 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.209 -4.540 2.161 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.266 -4.831 3.209 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.583 -6.021 3.418 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.775 -3.869 3.823 1.00 0.00 O ATOM 0 H ASP A 77 -22.021 -6.327 3.959 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.239 -6.446 2.059 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.917 -3.492 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.634 -4.691 1.169 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.627 -4.957 1.849 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.488 -4.541 1.042 1.00 0.00 C ATOM 1243 C ARG A 78 -18.313 -5.492 1.248 1.00 0.00 C ATOM 1244 O ARG A 78 -18.161 -6.080 2.318 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.079 -3.110 1.401 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.947 -2.567 0.543 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.685 -1.097 0.835 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.277 -0.748 0.663 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.761 0.435 0.992 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.534 1.382 1.509 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.470 0.672 0.804 1.00 0.00 N ATOM 0 H ARG A 78 -20.387 -5.247 2.797 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.778 -4.570 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.946 -2.457 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.777 -3.079 2.448 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.040 -3.143 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.195 -2.692 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.295 -0.482 0.173 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.993 -0.869 1.856 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.653 -1.451 0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.528 1.205 1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.134 2.286 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.871 -0.052 0.407 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.076 1.578 1.056 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.486 -5.645 0.219 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.329 -6.529 0.296 1.00 0.00 C ATOM 1267 C HIS A 79 -15.051 -5.789 -0.080 1.00 0.00 C ATOM 1268 O HIS A 79 -14.776 -5.565 -1.258 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.521 -7.736 -0.625 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.972 -9.011 -0.064 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.925 -9.049 0.832 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -16.332 -10.300 -0.274 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.663 -10.305 1.148 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -15.502 -11.083 0.490 1.00 0.00 N ATOM 0 H HIS A 79 -17.595 -5.169 -0.677 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.237 -6.875 1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.585 -7.865 -0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.040 -7.533 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -17.124 -10.647 -0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -13.894 -10.638 1.829 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -15.529 -12.101 0.541 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.272 -5.410 0.928 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.027 -4.697 0.705 1.00 0.00 C ATOM 1285 C ILE A 80 -11.826 -5.581 1.031 1.00 0.00 C ATOM 1286 O ILE A 80 -11.585 -5.917 2.191 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.968 -3.410 1.556 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.563 -2.815 1.527 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.393 -3.696 2.989 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.527 -1.328 1.804 1.00 0.00 C ATOM 0 H ILE A 80 -14.485 -5.587 1.910 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.990 -4.425 -0.350 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.661 -2.685 1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.945 -3.328 2.264 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.118 -3.005 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.345 -2.777 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.414 -4.078 2.996 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.725 -4.439 3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.496 -0.976 1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.117 -0.803 1.052 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.942 -1.132 2.793 1.00 0.00 H new ATOM 1302 N THR A 81 -11.071 -5.948 0.001 1.00 0.00 N ATOM 1303 CA THR A 81 -9.893 -6.784 0.179 1.00 0.00 C ATOM 1304 C THR A 81 -8.643 -5.918 0.297 1.00 0.00 C ATOM 1305 O THR A 81 -8.303 -5.183 -0.627 1.00 0.00 O ATOM 1306 CB THR A 81 -9.753 -7.745 -1.003 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.586 -7.345 -2.075 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.108 -9.174 -0.662 1.00 0.00 C ATOM 0 H THR A 81 -11.255 -5.679 -0.965 1.00 0.00 H new ATOM 0 HA THR A 81 -10.007 -7.361 1.097 1.00 0.00 H new ATOM 0 HB THR A 81 -8.700 -7.705 -1.280 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.223 -8.061 -2.279 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.986 -9.800 -1.546 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.451 -9.533 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.143 -9.221 -0.324 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.964 -6.003 1.436 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.757 -5.214 1.658 1.00 0.00 C ATOM 1318 C LEU A 82 -5.508 -6.088 1.633 1.00 0.00 C ATOM 1319 O LEU A 82 -5.316 -6.941 2.500 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.851 -4.473 2.995 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.513 -2.981 2.938 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -5.228 -2.747 2.157 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -7.662 -2.199 2.322 1.00 0.00 C ATOM 0 H LEU A 82 -8.226 -6.606 2.216 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.677 -4.489 0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.863 -4.585 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.180 -4.954 3.707 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.360 -2.626 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.008 -1.680 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.406 -3.275 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.348 -3.119 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.405 -1.140 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.846 -2.559 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.560 -2.336 2.925 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.657 -5.865 0.633 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.424 -6.630 0.495 1.00 0.00 C ATOM 1337 C TRP A 83 -2.205 -5.746 0.715 1.00 0.00 C ATOM 1338 O TRP A 83 -2.005 -4.755 0.013 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.334 -7.271 -0.892 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.420 -8.261 -1.166 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.713 -8.183 -0.752 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.308 -9.478 -1.914 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.419 -9.272 -1.195 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.578 -10.085 -1.910 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.260 -10.113 -2.585 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.828 -11.294 -2.553 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.508 -11.315 -3.222 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.784 -11.894 -3.203 1.00 0.00 C ATOM 0 H TRP A 83 -4.800 -5.161 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.440 -7.412 1.254 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.370 -6.487 -1.648 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.368 -7.767 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.125 -7.379 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.408 -9.448 -1.021 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.274 -9.673 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.810 -11.742 -2.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.705 -11.816 -3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.947 -12.833 -3.712 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.381 -6.131 1.677 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.160 -5.391 1.977 1.00 0.00 C ATOM 1361 C PHE A 84 1.049 -6.182 1.481 1.00 0.00 C ATOM 1362 O PHE A 84 1.374 -7.238 2.024 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.026 -5.111 3.480 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.130 -4.261 4.057 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.462 -4.561 3.812 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.833 -3.158 4.850 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.473 -3.781 4.343 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.841 -2.377 5.381 1.00 0.00 C ATOM 1369 CZ PHE A 84 -3.163 -2.689 5.127 1.00 0.00 C ATOM 0 H PHE A 84 -1.533 -6.951 2.264 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.208 -4.430 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.000 -6.061 4.013 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.929 -4.617 3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.713 -5.414 3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.198 -2.909 5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.506 -4.027 4.144 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.596 -1.523 5.995 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.952 -2.079 5.541 1.00 0.00 H new ATOM 1379 N TRP A 85 1.693 -5.683 0.430 1.00 0.00 N ATOM 1380 CA TRP A 85 2.844 -6.366 -0.154 1.00 0.00 C ATOM 1381 C TRP A 85 4.168 -5.788 0.339 1.00 0.00 C ATOM 1382 O TRP A 85 4.269 -4.599 0.639 1.00 0.00 O ATOM 1383 CB TRP A 85 2.769 -6.308 -1.678 1.00 0.00 C ATOM 1384 CG TRP A 85 1.650 -7.137 -2.230 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.314 -6.879 -2.128 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.768 -8.365 -2.958 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.407 -7.869 -2.749 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.463 -8.792 -3.268 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.850 -9.141 -3.382 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.213 -9.963 -3.979 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.599 -10.304 -4.087 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.289 -10.704 -4.380 1.00 0.00 C ATOM 0 H TRP A 85 1.439 -4.811 -0.034 1.00 0.00 H new ATOM 0 HA TRP A 85 2.809 -7.406 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.639 -5.273 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.714 -6.653 -2.098 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.114 -6.021 -1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.424 -7.911 -2.813 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.863 -8.838 -3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.796 -10.275 -4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.427 -10.914 -4.417 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.126 -11.617 -4.934 1.00 0.00 H new ATOM 1403 N LEU A 86 5.180 -6.652 0.426 1.00 0.00 N ATOM 1404 CA LEU A 86 6.503 -6.250 0.890 1.00 0.00 C ATOM 1405 C LEU A 86 7.409 -5.858 -0.277 1.00 0.00 C ATOM 1406 O LEU A 86 7.462 -6.541 -1.296 1.00 0.00 O ATOM 1407 CB LEU A 86 7.141 -7.383 1.693 1.00 0.00 C ATOM 1408 CG LEU A 86 8.584 -7.133 2.137 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.660 -5.909 3.035 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.138 -8.356 2.853 1.00 0.00 C ATOM 0 H LEU A 86 5.105 -7.639 0.179 1.00 0.00 H new ATOM 0 HA LEU A 86 6.384 -5.375 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.532 -7.568 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.115 -8.292 1.093 1.00 0.00 H new ATOM 0 HG LEU A 86 9.191 -6.947 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.693 -5.746 3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.301 -5.036 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.040 -6.066 3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.165 -8.162 3.162 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.529 -8.571 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.118 -9.212 2.179 1.00 0.00 H new ATOM 1422 N VAL A 87 8.106 -4.743 -0.111 1.00 0.00 N ATOM 1423 CA VAL A 87 9.017 -4.217 -1.127 1.00 0.00 C ATOM 1424 C VAL A 87 10.400 -4.017 -0.562 1.00 0.00 C ATOM 1425 O VAL A 87 10.545 -3.694 0.617 1.00 0.00 O ATOM 1426 CB VAL A 87 8.542 -2.882 -1.660 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.370 -2.443 -2.857 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.068 -2.968 -2.006 1.00 0.00 C ATOM 0 H VAL A 87 8.058 -4.173 0.734 1.00 0.00 H new ATOM 0 HA VAL A 87 9.038 -4.952 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 87 8.674 -2.125 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.006 -1.481 -3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.415 -2.348 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.284 -3.185 -3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.728 -2.006 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.917 -3.735 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.499 -3.224 -1.112 1.00 0.00 H new ATOM 1438 N GLU A 88 11.424 -4.222 -1.377 1.00 0.00 N ATOM 1439 CA GLU A 88 12.775 -4.059 -0.873 1.00 0.00 C ATOM 1440 C GLU A 88 13.493 -2.792 -1.367 1.00 0.00 C ATOM 1441 O GLU A 88 14.278 -2.212 -0.615 1.00 0.00 O ATOM 1442 CB GLU A 88 13.615 -5.297 -1.192 1.00 0.00 C ATOM 1443 CG GLU A 88 15.019 -5.248 -0.610 1.00 0.00 C ATOM 1444 CD GLU A 88 15.041 -5.495 0.885 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.483 -4.665 1.632 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.614 -6.521 1.309 1.00 0.00 O ATOM 0 H GLU A 88 11.350 -4.493 -2.358 1.00 0.00 H new ATOM 0 HA GLU A 88 12.670 -3.939 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.103 -6.181 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.683 -5.410 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.640 -5.994 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.461 -4.274 -0.820 1.00 0.00 H new ATOM 1453 N ARG A 89 13.264 -2.357 -2.609 1.00 0.00 N ATOM 1454 CA ARG A 89 13.953 -1.165 -3.108 1.00 0.00 C ATOM 1455 C ARG A 89 13.279 -0.596 -4.352 1.00 0.00 C ATOM 1456 O ARG A 89 12.464 -1.264 -4.984 1.00 0.00 O ATOM 1457 CB ARG A 89 15.435 -1.477 -3.381 1.00 0.00 C ATOM 1458 CG ARG A 89 15.829 -1.461 -4.854 1.00 0.00 C ATOM 1459 CD ARG A 89 17.306 -1.768 -5.041 1.00 0.00 C ATOM 1460 NE ARG A 89 18.136 -0.572 -4.906 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.626 -0.131 -3.749 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.373 -0.779 -2.618 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.373 0.964 -3.723 1.00 0.00 N ATOM 0 H ARG A 89 12.625 -2.798 -3.271 1.00 0.00 H new ATOM 0 HA ARG A 89 13.893 -0.401 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.049 -0.752 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.668 -2.458 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 89 15.233 -2.193 -5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.603 -0.484 -5.281 1.00 0.00 H new ATOM 0 HD2 ARG A 89 17.618 -2.510 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.463 -2.209 -6.026 1.00 0.00 H new ATOM 0 HE ARG A 89 18.353 -0.043 -5.750 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.799 -1.622 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.753 -0.434 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 89 19.571 1.467 -4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.749 1.304 -2.838 1.00 0.00 H new ATOM 1477 N TRP A 90 13.641 0.636 -4.705 1.00 0.00 N ATOM 1478 CA TRP A 90 13.085 1.282 -5.887 1.00 0.00 C ATOM 1479 C TRP A 90 14.066 2.285 -6.487 1.00 0.00 C ATOM 1480 O TRP A 90 14.600 3.144 -5.786 1.00 0.00 O ATOM 1481 CB TRP A 90 11.750 1.957 -5.549 1.00 0.00 C ATOM 1482 CG TRP A 90 11.879 3.325 -4.960 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.218 4.471 -5.618 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.653 3.693 -3.598 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.217 5.531 -4.747 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.869 5.079 -3.502 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.286 2.986 -2.450 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.729 5.772 -2.306 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.147 3.675 -1.261 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.365 5.057 -1.199 1.00 0.00 C ATOM 0 H TRP A 90 14.314 1.203 -4.190 1.00 0.00 H new ATOM 0 HA TRP A 90 12.904 0.513 -6.638 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.150 2.021 -6.456 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.204 1.324 -4.850 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.453 4.534 -6.670 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.439 6.497 -4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.114 1.921 -2.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.901 6.837 -2.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.866 3.140 -0.366 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.243 5.569 -0.256 1.00 0.00 H new ATOM 1501 N GLU A 91 14.302 2.168 -7.795 1.00 0.00 N ATOM 1502 CA GLU A 91 15.220 3.065 -8.487 1.00 0.00 C ATOM 1503 C GLU A 91 14.576 4.427 -8.725 1.00 0.00 C ATOM 1504 O GLU A 91 13.415 4.515 -9.126 1.00 0.00 O ATOM 1505 CB GLU A 91 15.654 2.454 -9.822 1.00 0.00 C ATOM 1506 CG GLU A 91 16.572 1.252 -9.671 1.00 0.00 C ATOM 1507 CD GLU A 91 17.626 1.184 -10.759 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.253 0.988 -11.935 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.823 1.328 -10.435 1.00 0.00 O ATOM 0 H GLU A 91 13.870 1.462 -8.392 1.00 0.00 H new ATOM 0 HA GLU A 91 16.097 3.203 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.767 2.155 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.162 3.216 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.061 1.293 -8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.976 0.340 -9.690 1.00 0.00 H new ATOM 1516 N GLY A 92 15.337 5.487 -8.474 1.00 0.00 N ATOM 1517 CA GLY A 92 14.824 6.832 -8.665 1.00 0.00 C ATOM 1518 C GLY A 92 13.730 7.183 -7.676 1.00 0.00 C ATOM 1519 O GLY A 92 13.914 7.050 -6.465 1.00 0.00 O ATOM 0 H GLY A 92 16.300 5.439 -8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.641 7.546 -8.566 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.437 6.929 -9.679 1.00 0.00 H new ATOM 1523 N GLU A 93 12.590 7.630 -8.191 1.00 0.00 N ATOM 1524 CA GLU A 93 11.461 7.999 -7.344 1.00 0.00 C ATOM 1525 C GLU A 93 10.200 7.251 -7.769 1.00 0.00 C ATOM 1526 O GLU A 93 9.973 7.033 -8.959 1.00 0.00 O ATOM 1527 CB GLU A 93 11.219 9.509 -7.410 1.00 0.00 C ATOM 1528 CG GLU A 93 12.293 10.328 -6.713 1.00 0.00 C ATOM 1529 CD GLU A 93 11.773 11.658 -6.204 1.00 0.00 C ATOM 1530 OE1 GLU A 93 10.559 11.754 -5.927 1.00 0.00 O ATOM 1531 OE2 GLU A 93 12.580 12.603 -6.079 1.00 0.00 O ATOM 0 H GLU A 93 12.423 7.746 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 93 11.700 7.722 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.162 9.814 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.252 9.734 -6.959 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.696 9.756 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.116 10.505 -7.405 1.00 0.00 H new ATOM 1538 N PRO A 94 9.351 6.852 -6.804 1.00 0.00 N ATOM 1539 CA PRO A 94 8.109 6.137 -7.087 1.00 0.00 C ATOM 1540 C PRO A 94 7.034 7.074 -7.606 1.00 0.00 C ATOM 1541 O PRO A 94 6.754 8.105 -6.993 1.00 0.00 O ATOM 1542 CB PRO A 94 7.698 5.545 -5.727 1.00 0.00 C ATOM 1543 CG PRO A 94 8.807 5.884 -4.781 1.00 0.00 C ATOM 1544 CD PRO A 94 9.509 7.074 -5.366 1.00 0.00 C ATOM 0 HA PRO A 94 8.240 5.379 -7.859 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.752 5.967 -5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.560 4.466 -5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.416 6.112 -3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.493 5.044 -4.669 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.055 8.012 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.558 7.112 -5.073 1.00 0.00 H new ATOM 1552 N TRP A 95 6.426 6.721 -8.730 1.00 0.00 N ATOM 1553 CA TRP A 95 5.382 7.555 -9.299 1.00 0.00 C ATOM 1554 C TRP A 95 4.156 6.742 -9.676 1.00 0.00 C ATOM 1555 O TRP A 95 3.055 6.998 -9.190 1.00 0.00 O ATOM 1556 CB TRP A 95 5.890 8.322 -10.523 1.00 0.00 C ATOM 1557 CG TRP A 95 6.604 7.485 -11.553 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.942 7.230 -11.609 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.026 6.818 -12.687 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.239 6.467 -12.716 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.080 6.203 -13.394 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.723 6.682 -13.178 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.871 5.475 -14.563 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.516 5.955 -14.335 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.586 5.365 -15.019 1.00 0.00 C ATOM 0 H TRP A 95 6.635 5.874 -9.258 1.00 0.00 H new ATOM 0 HA TRP A 95 5.096 8.271 -8.528 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.043 8.814 -11.001 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.565 9.108 -10.185 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.666 7.577 -10.887 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.170 6.150 -12.986 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.892 7.138 -12.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.693 5.014 -15.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.513 5.840 -14.718 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.393 4.811 -15.926 1.00 0.00 H new ATOM 1576 N GLY A 96 4.355 5.767 -10.552 1.00 0.00 N ATOM 1577 CA GLY A 96 3.253 4.930 -10.996 1.00 0.00 C ATOM 1578 C GLY A 96 1.990 5.720 -11.290 1.00 0.00 C ATOM 1579 O GLY A 96 1.839 6.284 -12.374 1.00 0.00 O ATOM 0 H GLY A 96 5.259 5.539 -10.965 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.554 4.389 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.039 4.184 -10.230 1.00 0.00 H new ATOM 1583 N LYS A 97 1.080 5.759 -10.318 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.177 6.483 -10.474 1.00 0.00 C ATOM 1585 C LYS A 97 -1.042 6.373 -9.219 1.00 0.00 C ATOM 1586 O LYS A 97 -2.270 6.342 -9.303 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.948 5.952 -11.684 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.589 7.045 -12.525 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.885 7.538 -11.905 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.666 8.802 -11.088 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.375 9.978 -11.953 1.00 0.00 N ATOM 0 H LYS A 97 1.191 5.297 -9.415 1.00 0.00 H new ATOM 0 HA LYS A 97 0.062 7.535 -10.632 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.270 5.373 -12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.724 5.269 -11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.895 7.879 -12.630 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.786 6.666 -13.528 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.614 7.733 -12.691 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.304 6.759 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.553 9.004 -10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.839 8.648 -10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.548 10.853 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.381 9.948 -12.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.993 9.955 -12.789 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.398 6.323 -8.055 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.120 6.227 -6.786 1.00 0.00 C ATOM 1607 C GLU A 98 -1.957 7.484 -6.552 1.00 0.00 C ATOM 1608 O GLU A 98 -2.989 7.439 -5.883 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.152 6.011 -5.613 1.00 0.00 C ATOM 1610 CG GLU A 98 1.262 6.521 -5.860 1.00 0.00 C ATOM 1611 CD GLU A 98 1.293 7.973 -6.296 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.246 8.859 -5.417 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.362 8.224 -7.517 1.00 0.00 O ATOM 0 H GLU A 98 0.618 6.347 -7.963 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.784 5.365 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.555 6.507 -4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.106 4.946 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.849 6.407 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.737 5.906 -6.624 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.509 8.602 -7.119 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.230 9.855 -6.975 1.00 0.00 C ATOM 1622 C GLY A 99 -2.017 10.523 -5.627 1.00 0.00 C ATOM 1623 O GLY A 99 -2.735 11.462 -5.279 1.00 0.00 O ATOM 0 H GLY A 99 -0.657 8.662 -7.677 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.917 10.538 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.295 9.671 -7.117 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.036 10.049 -4.865 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.752 10.622 -3.554 1.00 0.00 C ATOM 1629 C GLN A 100 0.747 10.710 -3.295 1.00 0.00 C ATOM 1630 O GLN A 100 1.378 9.734 -2.891 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.425 9.796 -2.456 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.856 10.219 -2.168 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.622 9.181 -1.371 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.029 8.309 -0.735 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.946 9.268 -1.403 1.00 0.00 N ATOM 0 H GLN A 100 -0.428 9.274 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.156 11.634 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.417 8.745 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.839 9.878 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.849 11.161 -1.619 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.373 10.403 -3.110 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.396 10.007 -1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.514 8.596 -0.887 1.00 0.00 H new ATOM 1644 N PRO A 101 1.337 11.896 -3.516 1.00 0.00 N ATOM 1645 CA PRO A 101 2.767 12.125 -3.296 1.00 0.00 C ATOM 1646 C PRO A 101 3.262 11.510 -1.989 1.00 0.00 C ATOM 1647 O PRO A 101 2.560 11.535 -0.978 1.00 0.00 O ATOM 1648 CB PRO A 101 2.841 13.646 -3.230 1.00 0.00 C ATOM 1649 CG PRO A 101 1.777 14.102 -4.162 1.00 0.00 C ATOM 1650 CD PRO A 101 0.653 13.117 -3.995 1.00 0.00 C ATOM 0 HA PRO A 101 3.389 11.673 -4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.667 14.010 -2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.822 14.011 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.452 15.114 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.136 14.118 -5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.088 13.470 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.129 12.942 -4.935 1.00 0.00 H new ATOM 1658 N GLY A 102 4.469 10.952 -2.015 1.00 0.00 N ATOM 1659 CA GLY A 102 5.023 10.334 -0.824 1.00 0.00 C ATOM 1660 C GLY A 102 6.467 10.729 -0.569 1.00 0.00 C ATOM 1661 O GLY A 102 7.071 11.454 -1.359 1.00 0.00 O ATOM 0 H GLY A 102 5.072 10.917 -2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.418 10.613 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.960 9.250 -0.921 1.00 0.00 H new ATOM 1665 N GLU A 103 7.019 10.243 0.541 1.00 0.00 N ATOM 1666 CA GLU A 103 8.400 10.534 0.912 1.00 0.00 C ATOM 1667 C GLU A 103 9.009 9.348 1.657 1.00 0.00 C ATOM 1668 O GLU A 103 8.286 8.526 2.219 1.00 0.00 O ATOM 1669 CB GLU A 103 8.464 11.795 1.779 1.00 0.00 C ATOM 1670 CG GLU A 103 9.860 12.117 2.289 1.00 0.00 C ATOM 1671 CD GLU A 103 10.018 13.575 2.672 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.502 14.443 1.936 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.658 13.851 3.708 1.00 0.00 O ATOM 0 H GLU A 103 6.526 9.642 1.202 1.00 0.00 H new ATOM 0 HA GLU A 103 8.975 10.708 0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.094 12.642 1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.795 11.674 2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.080 11.492 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.591 11.866 1.520 1.00 0.00 H new ATOM 1680 N TRP A 104 10.337 9.253 1.654 1.00 0.00 N ATOM 1681 CA TRP A 104 11.017 8.149 2.331 1.00 0.00 C ATOM 1682 C TRP A 104 10.864 8.275 3.846 1.00 0.00 C ATOM 1683 O TRP A 104 11.501 9.118 4.477 1.00 0.00 O ATOM 1684 CB TRP A 104 12.509 8.119 1.953 1.00 0.00 C ATOM 1685 CG TRP A 104 12.778 8.593 0.558 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.966 8.437 -0.526 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.934 9.302 0.099 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.548 9.002 -1.635 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.755 9.541 -1.276 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.102 9.758 0.716 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.701 10.216 -2.044 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.040 10.428 -0.046 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.835 10.652 -1.414 1.00 0.00 C ATOM 0 H TRP A 104 10.959 9.919 1.196 1.00 0.00 H new ATOM 0 HA TRP A 104 10.556 7.216 2.008 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.066 8.740 2.654 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.884 7.101 2.062 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.006 7.942 -0.515 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.147 9.018 -2.573 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.269 9.590 1.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.545 10.389 -3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.946 10.785 0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.587 11.179 -1.982 1.00 0.00 H new ATOM 1704 N MET A 105 10.018 7.423 4.423 1.00 0.00 N ATOM 1705 CA MET A 105 9.787 7.428 5.867 1.00 0.00 C ATOM 1706 C MET A 105 10.151 6.083 6.478 1.00 0.00 C ATOM 1707 O MET A 105 10.062 5.047 5.820 1.00 0.00 O ATOM 1708 CB MET A 105 8.328 7.763 6.195 1.00 0.00 C ATOM 1709 CG MET A 105 7.598 8.515 5.092 1.00 0.00 C ATOM 1710 SD MET A 105 8.386 10.085 4.687 1.00 0.00 S ATOM 1711 CE MET A 105 7.405 11.220 5.665 1.00 0.00 C ATOM 0 H MET A 105 9.482 6.721 3.913 1.00 0.00 H new ATOM 0 HA MET A 105 10.427 8.199 6.296 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.792 6.837 6.404 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.300 8.360 7.106 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.556 7.892 4.198 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.569 8.698 5.401 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.772 12.236 5.520 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.362 11.163 5.352 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.483 10.953 6.719 1.00 0.00 H new ATOM 1721 N SER A 106 10.542 6.102 7.746 1.00 0.00 N ATOM 1722 CA SER A 106 10.905 4.879 8.447 1.00 0.00 C ATOM 1723 C SER A 106 9.660 4.069 8.791 1.00 0.00 C ATOM 1724 O SER A 106 8.823 4.507 9.581 1.00 0.00 O ATOM 1725 CB SER A 106 11.688 5.207 9.721 1.00 0.00 C ATOM 1726 OG SER A 106 12.904 4.482 9.774 1.00 0.00 O ATOM 0 H SER A 106 10.616 6.950 8.308 1.00 0.00 H new ATOM 0 HA SER A 106 11.537 4.282 7.790 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.897 6.276 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.082 4.970 10.595 1.00 0.00 H new ATOM 0 HG SER A 106 13.640 5.056 9.476 1.00 0.00 H new ATOM 1732 N LEU A 107 9.541 2.889 8.194 1.00 0.00 N ATOM 1733 CA LEU A 107 8.391 2.025 8.443 1.00 0.00 C ATOM 1734 C LEU A 107 8.544 1.265 9.757 1.00 0.00 C ATOM 1735 O LEU A 107 7.563 0.773 10.314 1.00 0.00 O ATOM 1736 CB LEU A 107 8.200 1.040 7.289 1.00 0.00 C ATOM 1737 CG LEU A 107 6.943 0.173 7.384 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.699 1.006 7.103 1.00 0.00 C ATOM 1739 CD2 LEU A 107 7.032 -1.004 6.422 1.00 0.00 C ATOM 0 H LEU A 107 10.222 2.509 7.537 1.00 0.00 H new ATOM 0 HA LEU A 107 7.509 2.661 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.168 1.600 6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.071 0.387 7.240 1.00 0.00 H new ATOM 0 HG LEU A 107 6.870 -0.220 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.814 0.374 7.175 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.629 1.813 7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.763 1.428 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 107 6.129 -1.610 6.503 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.129 -0.633 5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.901 -1.613 6.671 1.00 0.00 H new ATOM 1751 N VAL A 108 9.775 1.177 10.253 1.00 0.00 N ATOM 1752 CA VAL A 108 10.045 0.482 11.506 1.00 0.00 C ATOM 1753 C VAL A 108 9.204 1.054 12.647 1.00 0.00 C ATOM 1754 O VAL A 108 8.992 0.396 13.665 1.00 0.00 O ATOM 1755 CB VAL A 108 11.537 0.567 11.884 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.958 2.014 12.092 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.823 -0.264 13.128 1.00 0.00 C ATOM 0 H VAL A 108 10.600 1.578 9.806 1.00 0.00 H new ATOM 0 HA VAL A 108 9.777 -0.563 11.353 1.00 0.00 H new ATOM 0 HB VAL A 108 12.123 0.159 11.060 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.014 2.051 12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.796 2.576 11.172 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.366 2.453 12.895 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.881 -0.191 13.379 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.226 0.110 13.960 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.566 -1.306 12.936 1.00 0.00 H new ATOM 1767 N GLY A 109 8.726 2.283 12.468 1.00 0.00 N ATOM 1768 CA GLY A 109 7.915 2.920 13.486 1.00 0.00 C ATOM 1769 C GLY A 109 6.694 3.603 12.903 1.00 0.00 C ATOM 1770 O GLY A 109 6.422 4.766 13.200 1.00 0.00 O ATOM 0 H GLY A 109 8.887 2.848 11.634 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.598 2.174 14.215 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.518 3.653 14.022 1.00 0.00 H new ATOM 1774 N LEU A 110 5.955 2.876 12.071 1.00 0.00 N ATOM 1775 CA LEU A 110 4.753 3.414 11.443 1.00 0.00 C ATOM 1776 C LEU A 110 3.716 3.774 12.501 1.00 0.00 C ATOM 1777 O LEU A 110 3.673 3.167 13.571 1.00 0.00 O ATOM 1778 CB LEU A 110 4.169 2.401 10.456 1.00 0.00 C ATOM 1779 CG LEU A 110 2.825 2.797 9.841 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.727 2.297 8.408 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.678 2.253 10.678 1.00 0.00 C ATOM 0 H LEU A 110 6.168 1.912 11.816 1.00 0.00 H new ATOM 0 HA LEU A 110 5.024 4.318 10.898 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.888 2.245 9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.050 1.446 10.967 1.00 0.00 H new ATOM 0 HG LEU A 110 2.756 3.885 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.765 2.588 7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.530 2.734 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.816 1.211 8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.729 2.543 10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.742 1.166 10.720 1.00 0.00 H new ATOM 0 HD23 LEU A 110 1.740 2.659 11.688 1.00 0.00 H new ATOM 1793 N ASN A 111 2.891 4.776 12.206 1.00 0.00 N ATOM 1794 CA ASN A 111 1.873 5.219 13.150 1.00 0.00 C ATOM 1795 C ASN A 111 0.462 4.983 12.627 1.00 0.00 C ATOM 1796 O ASN A 111 0.137 5.331 11.493 1.00 0.00 O ATOM 1797 CB ASN A 111 2.068 6.701 13.473 1.00 0.00 C ATOM 1798 CG ASN A 111 2.438 6.934 14.926 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.896 6.293 15.827 1.00 0.00 O ATOM 1800 ND2 ASN A 111 3.365 7.855 15.160 1.00 0.00 N ATOM 0 H ASN A 111 2.908 5.292 11.326 1.00 0.00 H new ATOM 0 HA ASN A 111 1.990 4.626 14.057 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.849 7.110 12.832 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.151 7.244 13.243 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.655 8.055 16.117 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.788 8.362 14.383 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.375 4.403 13.483 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.761 4.132 13.134 1.00 0.00 C ATOM 1809 C ALA A 112 -2.572 5.430 13.087 1.00 0.00 C ATOM 1810 O ALA A 112 -3.682 5.462 12.556 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.380 3.154 14.124 1.00 0.00 C ATOM 0 H ALA A 112 -0.114 4.112 14.425 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.780 3.680 12.142 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.417 2.963 13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.822 2.218 14.108 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.345 3.580 15.127 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.014 6.498 13.656 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.689 7.792 13.683 1.00 0.00 C ATOM 1819 C ASP A 113 -2.572 8.508 12.338 1.00 0.00 C ATOM 1820 O ASP A 113 -3.565 8.991 11.795 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.104 8.669 14.791 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.161 9.512 15.478 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.099 9.965 14.790 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.051 9.718 16.705 1.00 0.00 O ATOM 0 H ASP A 113 -1.097 6.491 14.104 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.746 7.614 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.611 8.037 15.529 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.340 9.322 14.369 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.352 8.581 11.806 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.114 9.247 10.526 1.00 0.00 C ATOM 1831 C ASP A 114 -1.767 8.481 9.380 1.00 0.00 C ATOM 1832 O ASP A 114 -2.128 9.064 8.358 1.00 0.00 O ATOM 1833 CB ASP A 114 0.388 9.415 10.241 1.00 0.00 C ATOM 1834 CG ASP A 114 1.287 8.755 11.271 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.380 9.278 12.402 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.899 7.716 10.945 1.00 0.00 O ATOM 0 H ASP A 114 -0.516 8.189 12.240 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.564 10.237 10.598 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.610 8.998 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.623 10.479 10.196 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.914 7.174 9.553 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.522 6.331 8.533 1.00 0.00 C ATOM 1843 C PHE A 115 -4.009 6.119 8.831 1.00 0.00 C ATOM 1844 O PHE A 115 -4.483 6.460 9.915 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.766 4.991 8.451 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.527 3.810 8.978 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.042 3.833 10.256 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.720 2.684 8.198 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.738 2.757 10.758 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.417 1.602 8.692 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.925 1.639 9.977 1.00 0.00 C ATOM 0 H PHE A 115 -1.620 6.674 10.392 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.450 6.825 7.564 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.502 4.801 7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.832 5.081 9.006 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.897 4.708 10.872 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.322 2.652 7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.136 2.790 11.761 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.566 0.727 8.076 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.468 0.791 10.368 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.769 5.549 7.879 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.203 5.297 8.065 1.00 0.00 C ATOM 1863 C PRO A 116 -6.463 4.235 9.136 1.00 0.00 C ATOM 1864 O PRO A 116 -5.898 3.146 9.082 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.661 4.796 6.693 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.429 4.257 6.052 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.295 5.104 6.555 1.00 0.00 C ATOM 0 HA PRO A 116 -6.735 6.186 8.403 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.426 4.026 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.094 5.603 6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.279 3.210 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.501 4.307 4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.369 4.534 6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.098 5.947 5.893 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.320 4.539 10.130 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.637 3.600 11.215 1.00 0.00 C ATOM 1877 C PRO A 117 -8.382 2.358 10.732 1.00 0.00 C ATOM 1878 O PRO A 117 -8.405 1.334 11.415 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.526 4.421 12.154 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.099 5.496 11.297 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.041 5.816 10.279 1.00 0.00 C ATOM 0 HA PRO A 117 -6.731 3.216 11.684 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.311 3.805 12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.949 4.839 12.979 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.018 5.163 10.814 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.351 6.376 11.889 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.476 6.145 9.335 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.381 6.613 10.621 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.994 2.453 9.557 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.743 1.335 8.991 1.00 0.00 C ATOM 1891 C ALA A 118 -8.824 0.213 8.519 1.00 0.00 C ATOM 1892 O ALA A 118 -9.289 -0.869 8.160 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.620 1.818 7.845 1.00 0.00 C ATOM 0 H ALA A 118 -8.987 3.292 8.977 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.374 0.928 9.781 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.174 0.976 7.431 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.321 2.567 8.214 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.994 2.258 7.068 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.524 0.478 8.501 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.550 -0.507 8.051 1.00 0.00 C ATOM 1901 C ASN A 119 -5.573 -0.877 9.168 1.00 0.00 C ATOM 1902 O ASN A 119 -4.404 -1.163 8.913 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.796 0.062 6.847 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.253 -0.541 5.532 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.457 -0.716 4.609 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.541 -0.852 5.432 1.00 0.00 N ATOM 0 H ASN A 119 -7.120 1.368 8.793 1.00 0.00 H new ATOM 0 HA ASN A 119 -7.074 -1.419 7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.935 1.143 6.814 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.729 -0.119 6.973 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.903 -1.252 4.566 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.167 -0.691 6.221 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.057 -0.855 10.410 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.226 -1.170 11.569 1.00 0.00 C ATOM 1915 C GLU A 120 -4.971 -2.675 11.719 1.00 0.00 C ATOM 1916 O GLU A 120 -3.863 -3.077 12.064 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.864 -0.587 12.839 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.224 -1.616 13.905 1.00 0.00 C ATOM 1919 CD GLU A 120 -7.094 -1.038 15.003 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -8.033 -0.280 14.679 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.836 -1.341 16.187 1.00 0.00 O ATOM 0 H GLU A 120 -7.023 -0.621 10.638 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.250 -0.710 11.413 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -5.177 0.140 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.767 -0.044 12.559 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.744 -2.452 13.437 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.309 -2.015 14.343 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.980 -3.533 11.476 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.818 -4.986 11.607 1.00 0.00 C ATOM 1930 C PRO A 121 -4.525 -5.493 10.976 1.00 0.00 C ATOM 1931 O PRO A 121 -3.881 -6.402 11.500 1.00 0.00 O ATOM 1932 CB PRO A 121 -7.035 -5.535 10.866 1.00 0.00 C ATOM 1933 CG PRO A 121 -8.079 -4.486 11.043 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.351 -3.167 11.064 1.00 0.00 C ATOM 0 HA PRO A 121 -5.755 -5.300 12.649 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.816 -5.704 9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.356 -6.490 11.282 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.804 -4.517 10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.632 -4.640 11.969 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.361 -2.688 10.085 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.807 -2.468 11.765 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.142 -4.889 9.859 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.920 -5.265 9.164 1.00 0.00 C ATOM 1944 C VAL A 122 -1.707 -4.682 9.874 1.00 0.00 C ATOM 1945 O VAL A 122 -0.687 -5.350 10.041 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.923 -4.782 7.701 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.810 -5.459 6.914 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.278 -5.032 7.053 1.00 0.00 C ATOM 0 H VAL A 122 -4.663 -4.133 9.414 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.869 -6.354 9.170 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.740 -3.707 7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.827 -5.106 5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.847 -5.218 7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.958 -6.539 6.930 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.257 -4.683 6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.499 -6.099 7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.049 -4.493 7.603 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.833 -3.426 10.292 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.754 -2.742 10.988 1.00 0.00 C ATOM 1960 C ILE A 123 -0.538 -3.334 12.371 1.00 0.00 C ATOM 1961 O ILE A 123 0.585 -3.397 12.854 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.037 -1.236 11.128 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.289 -0.614 9.756 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.123 -0.541 11.825 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.023 -0.267 9.002 1.00 0.00 C ATOM 0 H ILE A 123 -2.673 -2.863 10.160 1.00 0.00 H new ATOM 0 HA ILE A 123 0.146 -2.879 10.388 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.932 -1.105 11.736 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.880 -1.306 9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.886 0.289 9.881 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.093 0.524 11.916 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.261 -0.970 12.818 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.033 -0.678 11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.282 0.170 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.560 0.450 9.580 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.566 -1.171 8.845 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.613 -3.775 13.009 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.511 -4.363 14.337 1.00 0.00 C ATOM 1979 C ALA A 124 -0.507 -5.510 14.335 1.00 0.00 C ATOM 1980 O ALA A 124 0.102 -5.820 15.359 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.874 -4.846 14.811 1.00 0.00 C ATOM 0 H ALA A 124 -2.560 -3.737 12.632 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.158 -3.598 15.029 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.780 -5.283 15.805 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.565 -4.004 14.849 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.254 -5.598 14.119 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.341 -6.136 13.172 1.00 0.00 N ATOM 1988 CA LYS A 125 0.593 -7.249 13.033 1.00 0.00 C ATOM 1989 C LYS A 125 2.036 -6.761 12.879 1.00 0.00 C ATOM 1990 O LYS A 125 2.935 -7.226 13.580 1.00 0.00 O ATOM 1991 CB LYS A 125 0.203 -8.118 11.835 1.00 0.00 C ATOM 1992 CG LYS A 125 0.026 -9.588 12.183 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.057 -9.786 13.230 1.00 0.00 C ATOM 1994 CE LYS A 125 -0.692 -10.890 14.208 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.118 -10.566 15.597 1.00 0.00 N ATOM 0 H LYS A 125 -0.839 -5.892 12.316 1.00 0.00 H new ATOM 0 HA LYS A 125 0.538 -7.843 13.945 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.726 -7.739 11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.968 -8.025 11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.230 -10.148 11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.969 -9.992 12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.213 -8.854 13.774 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.999 -10.031 12.739 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.160 -11.823 13.893 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.386 -11.051 14.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.850 -11.344 16.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.652 -9.690 15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.150 -10.437 15.623 1.00 0.00 H new ATOM 2009 N LEU A 126 2.254 -5.832 11.950 1.00 0.00 N ATOM 2010 CA LEU A 126 3.591 -5.294 11.696 1.00 0.00 C ATOM 2011 C LEU A 126 3.993 -4.267 12.750 1.00 0.00 C ATOM 2012 O LEU A 126 5.171 -4.132 13.081 1.00 0.00 O ATOM 2013 CB LEU A 126 3.647 -4.655 10.307 1.00 0.00 C ATOM 2014 CG LEU A 126 4.970 -4.842 9.557 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.352 -6.314 9.498 1.00 0.00 C ATOM 2016 CD2 LEU A 126 4.872 -4.255 8.157 1.00 0.00 C ATOM 0 H LEU A 126 1.522 -5.436 11.360 1.00 0.00 H new ATOM 0 HA LEU A 126 4.295 -6.124 11.746 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.842 -5.070 9.701 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.452 -3.587 10.407 1.00 0.00 H new ATOM 0 HG LEU A 126 5.752 -4.311 10.100 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.294 -6.424 8.961 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.464 -6.702 10.511 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.572 -6.872 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.819 -4.395 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.077 -4.758 7.606 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.649 -3.190 8.224 1.00 0.00 H new ATOM 2028 N LYS A 127 3.010 -3.543 13.267 1.00 0.00 N ATOM 2029 CA LYS A 127 3.251 -2.521 14.280 1.00 0.00 C ATOM 2030 C LYS A 127 4.017 -3.094 15.460 1.00 0.00 C ATOM 2031 O LYS A 127 4.952 -2.478 15.969 1.00 0.00 O ATOM 2032 CB LYS A 127 1.927 -1.952 14.762 1.00 0.00 C ATOM 2033 CG LYS A 127 2.075 -0.744 15.670 1.00 0.00 C ATOM 2034 CD LYS A 127 0.820 0.114 15.668 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.256 -0.470 16.569 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.271 -1.239 15.796 1.00 0.00 N ATOM 0 H LYS A 127 2.031 -3.645 13.000 1.00 0.00 H new ATOM 0 HA LYS A 127 3.850 -1.729 13.830 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.325 -1.673 13.897 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.380 -2.730 15.294 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.288 -1.076 16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.926 -0.146 15.345 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.067 1.122 16.001 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.438 0.199 14.651 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.206 -1.122 17.310 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.749 0.335 17.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.544 -2.088 16.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.110 -0.645 15.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.869 -1.521 14.879 1.00 0.00 H new ATOM 2050 N ARG A 128 3.625 -4.292 15.875 1.00 0.00 N ATOM 2051 CA ARG A 128 4.288 -4.966 16.979 1.00 0.00 C ATOM 2052 C ARG A 128 5.667 -5.448 16.543 1.00 0.00 C ATOM 2053 O ARG A 128 6.450 -5.943 17.354 1.00 0.00 O ATOM 2054 CB ARG A 128 3.445 -6.147 17.465 1.00 0.00 C ATOM 2055 CG ARG A 128 4.091 -6.933 18.593 1.00 0.00 C ATOM 2056 CD ARG A 128 3.108 -7.898 19.234 1.00 0.00 C ATOM 2057 NE ARG A 128 2.111 -7.205 20.047 1.00 0.00 N ATOM 2058 CZ ARG A 128 1.000 -7.777 20.506 1.00 0.00 C ATOM 2059 NH1 ARG A 128 0.740 -9.049 20.234 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.148 -7.073 21.238 1.00 0.00 N ATOM 0 H ARG A 128 2.852 -4.815 15.463 1.00 0.00 H new ATOM 0 HA ARG A 128 4.404 -4.260 17.802 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.476 -5.777 17.800 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.258 -6.818 16.627 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.947 -7.487 18.208 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.470 -6.244 19.347 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.605 -8.473 18.456 1.00 0.00 H new ATOM 0 HD3 ARG A 128 3.652 -8.609 19.856 1.00 0.00 H new ATOM 0 HE ARG A 128 2.276 -6.225 20.276 1.00 0.00 H new ATOM 0 HH11 ARG A 128 1.393 -9.594 19.671 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -0.113 -9.482 20.588 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.344 -6.094 21.449 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.704 -7.510 21.590 1.00 0.00 H new ATOM 2074 N LEU A 129 5.960 -5.293 15.250 1.00 0.00 N ATOM 2075 CA LEU A 129 7.245 -5.706 14.697 1.00 0.00 C ATOM 2076 C LEU A 129 7.583 -7.140 15.097 1.00 0.00 C ATOM 2077 O LEU A 129 6.785 -8.056 14.896 1.00 0.00 O ATOM 2078 CB LEU A 129 8.349 -4.758 15.167 1.00 0.00 C ATOM 2079 CG LEU A 129 8.072 -3.271 14.926 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.676 -2.583 16.223 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.288 -2.591 14.311 1.00 0.00 C ATOM 0 H LEU A 129 5.322 -4.884 14.568 1.00 0.00 H new ATOM 0 HA LEU A 129 7.174 -5.664 13.610 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.511 -4.914 16.234 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.277 -5.026 14.661 1.00 0.00 H new ATOM 0 HG LEU A 129 7.241 -3.188 14.225 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.483 -1.527 16.031 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.775 -3.049 16.622 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.485 -2.678 16.947 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.071 -1.535 14.148 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.138 -2.686 14.986 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.526 -3.064 13.358 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -3.640 2.235 -9.002 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -9.919 7.502 -3.625 1.00 20.00 O HETATM 2096 P 8OG A 131 -10.911 6.301 -4.033 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -10.096 5.131 -4.432 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -11.917 6.833 -4.979 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -11.640 5.973 -2.634 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -12.457 4.807 -2.508 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -11.637 3.541 -2.768 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.479 3.260 -1.973 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -12.452 2.255 -2.623 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -12.599 1.582 -3.876 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -11.733 1.378 -1.593 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -10.484 2.119 -1.105 1.00 20.00 C HETATM 2107 N9 8OG A 131 -10.256 2.125 0.358 1.00 20.00 N HETATM 2108 C8 8OG A 131 -11.228 2.515 1.242 1.00 20.00 C HETATM 2109 N7 8OG A 131 -10.655 2.353 2.475 1.00 20.00 N HETATM 2110 C5 8OG A 131 -9.373 1.879 2.373 1.00 20.00 C HETATM 2111 C6 8OG A 131 -8.399 1.555 3.250 1.00 20.00 C HETATM 2112 O6 8OG A 131 -8.633 1.690 4.501 1.00 20.00 O HETATM 2113 N1 8OG A 131 -7.152 1.082 2.857 1.00 20.00 N HETATM 2114 C2 8OG A 131 -6.921 0.944 1.514 1.00 20.00 C HETATM 2115 N2 8OG A 131 -5.719 0.489 1.137 1.00 20.00 N HETATM 2116 N3 8OG A 131 -7.864 1.251 0.526 1.00 20.00 N HETATM 2117 C4 8OG A 131 -9.104 1.727 1.026 1.00 20.00 C HETATM 2118 O8 8OG A 131 -12.412 2.925 0.980 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -11.756 1.629 -4.373 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -12.890 4.767 -1.509 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -12.395 1.160 -0.755 1.00 20.00 H new HETATM 0 H7 8OG A 131 -11.123 2.559 3.358 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -13.287 4.860 -3.213 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -11.317 3.799 -3.777 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -13.464 2.483 -2.287 1.00 20.00 H new HETATM 0 H22 8OG A 131 -5.506 0.372 0.146 1.00 20.00 H new HETATM 0 H21 8OG A 131 -5.017 0.260 1.840 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -11.456 0.422 -2.038 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -9.505 1.648 -1.200 1.00 20.00 H new HETATM 0 H1 8OG A 131 -6.435 0.846 3.544 1.00 20.00 H new HETATM 2131 O HOH A5095 -4.685 3.109 -7.389 1.00 0.00 O HETATM 2132 O HOH A5096 -5.024 3.083 -10.351 1.00 0.00 O