USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 723 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 76 HIS HE2 : A 76 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 86 LYS NZ :NH3+ -116:sc= 0.017 (180deg=-0.0298) USER MOD Set 1.2: A 90 HIS : no HE2:sc= 0.0154 X(o=0.032,f=-0.29) USER MOD Set 2.1: A 62 TYR OH : rot 150:sc= -0.607 USER MOD Set 2.2: A 82 GLN : amide:sc= -2.19 K(o=-2.8,f=1.9) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.17 K(o=-0.41,f=-2.4!) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.244 K(o=-0.41,f=-2.1!) USER MOD Set 4.1: A 19 LYS NZ :NH3+ -121:sc= 0.473 (180deg=0) USER MOD Set 4.2: A 55 THR OG1 : rot -143:sc= -0.117 USER MOD Set 5.1: A 17 THR OG1 : rot 140:sc= 0 USER MOD Set 5.2: A 89 GLN : amide:sc= -2.22! C(o=-2.2!,f=-2.2!) USER MOD Set 6.1: A 9 THR OG1 : rot 170:sc= 0.279 USER MOD Set 6.2: A 12 GLN : amide:sc= -0.182 X(o=0.097,f=-0.22) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 78:sc= 0.101 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 10:sc= 0.34 USER MOD Single : A 8 SER OG : rot -57:sc= 0.018 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -109:sc= 0.584 (180deg=-0.0745) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.098) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -100:sc= -0.157 USER MOD Single : A 48 MET CE :methyl -174:sc= -0.055 (180deg=-0.099) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -159:sc= -1.41 (180deg=-2.48!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -13.1! C(o=-13!,f=-12!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.0329 X(o=-0.033,f=-0.026) USER MOD Single : A 93 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.28) USER MOD Single : A 94 GLN : amide:sc= -0.434 X(o=-0.43,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.274 22.705 12.131 1.00 0.00 N ATOM 2 CA GLY A 1 13.157 22.456 10.706 1.00 0.00 C ATOM 3 C GLY A 1 13.832 21.166 10.286 1.00 0.00 C ATOM 4 O GLY A 1 15.053 21.114 10.143 1.00 0.00 O ATOM 0 H1 GLY A 1 12.797 23.598 12.368 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.830 21.925 12.657 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.279 22.770 12.391 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.103 22.417 10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.598 23.288 10.157 1.00 0.00 H new ATOM 8 N SER A 2 13.035 20.120 10.089 1.00 0.00 N ATOM 9 CA SER A 2 13.564 18.821 9.688 1.00 0.00 C ATOM 10 C SER A 2 14.557 18.970 8.539 1.00 0.00 C ATOM 11 O SER A 2 15.596 18.310 8.513 1.00 0.00 O ATOM 12 CB SER A 2 12.424 17.889 9.274 1.00 0.00 C ATOM 13 OG SER A 2 11.563 18.519 8.341 1.00 0.00 O ATOM 0 H SER A 2 12.021 20.147 10.200 1.00 0.00 H new ATOM 0 HA SER A 2 14.085 18.389 10.542 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.835 16.979 8.837 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.855 17.591 10.155 1.00 0.00 H new ATOM 0 HG SER A 2 10.844 17.902 8.091 1.00 0.00 H new ATOM 19 N SER A 3 14.230 19.842 7.591 1.00 0.00 N ATOM 20 CA SER A 3 15.090 20.076 6.438 1.00 0.00 C ATOM 21 C SER A 3 15.757 18.781 5.985 1.00 0.00 C ATOM 22 O SER A 3 16.942 18.761 5.656 1.00 0.00 O ATOM 23 CB SER A 3 16.156 21.121 6.773 1.00 0.00 C ATOM 24 OG SER A 3 15.566 22.311 7.268 1.00 0.00 O ATOM 0 H SER A 3 13.375 20.398 7.599 1.00 0.00 H new ATOM 0 HA SER A 3 14.469 20.449 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.845 20.717 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.742 21.345 5.882 1.00 0.00 H new ATOM 0 HG SER A 3 15.304 22.182 8.203 1.00 0.00 H new ATOM 30 N GLY A 4 14.984 17.698 5.972 1.00 0.00 N ATOM 31 CA GLY A 4 15.516 16.413 5.559 1.00 0.00 C ATOM 32 C GLY A 4 14.603 15.693 4.586 1.00 0.00 C ATOM 33 O GLY A 4 13.400 15.582 4.820 1.00 0.00 O ATOM 0 H GLY A 4 14.000 17.689 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.492 16.559 5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.670 15.788 6.438 1.00 0.00 H new ATOM 37 N SER A 5 15.176 15.205 3.491 1.00 0.00 N ATOM 38 CA SER A 5 14.405 14.497 2.476 1.00 0.00 C ATOM 39 C SER A 5 15.319 13.668 1.579 1.00 0.00 C ATOM 40 O SER A 5 16.541 13.814 1.615 1.00 0.00 O ATOM 41 CB SER A 5 13.604 15.489 1.629 1.00 0.00 C ATOM 42 OG SER A 5 12.539 14.841 0.956 1.00 0.00 O ATOM 0 H SER A 5 16.171 15.287 3.284 1.00 0.00 H new ATOM 0 HA SER A 5 13.715 13.823 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.208 16.280 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.262 15.965 0.902 1.00 0.00 H new ATOM 0 HG SER A 5 12.042 15.496 0.423 1.00 0.00 H new ATOM 48 N SER A 6 14.717 12.798 0.774 1.00 0.00 N ATOM 49 CA SER A 6 15.476 11.941 -0.130 1.00 0.00 C ATOM 50 C SER A 6 14.656 11.599 -1.370 1.00 0.00 C ATOM 51 O SER A 6 13.433 11.726 -1.374 1.00 0.00 O ATOM 52 CB SER A 6 15.900 10.657 0.585 1.00 0.00 C ATOM 53 OG SER A 6 16.972 10.902 1.480 1.00 0.00 O ATOM 0 H SER A 6 13.706 12.668 0.729 1.00 0.00 H new ATOM 0 HA SER A 6 16.367 12.485 -0.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.052 10.245 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.199 9.910 -0.150 1.00 0.00 H new ATOM 0 HG SER A 6 17.114 11.868 1.564 1.00 0.00 H new ATOM 59 N GLY A 7 15.341 11.165 -2.424 1.00 0.00 N ATOM 60 CA GLY A 7 14.662 10.812 -3.657 1.00 0.00 C ATOM 61 C GLY A 7 14.907 11.817 -4.763 1.00 0.00 C ATOM 62 O GLY A 7 15.488 11.485 -5.796 1.00 0.00 O ATOM 0 H GLY A 7 16.354 11.052 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.998 9.828 -3.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.591 10.737 -3.469 1.00 0.00 H new ATOM 66 N SER A 8 14.463 13.052 -4.549 1.00 0.00 N ATOM 67 CA SER A 8 14.633 14.108 -5.539 1.00 0.00 C ATOM 68 C SER A 8 13.724 13.876 -6.743 1.00 0.00 C ATOM 69 O SER A 8 14.129 14.072 -7.889 1.00 0.00 O ATOM 70 CB SER A 8 16.092 14.181 -5.994 1.00 0.00 C ATOM 71 OG SER A 8 16.385 15.443 -6.567 1.00 0.00 O ATOM 0 H SER A 8 13.983 13.345 -3.698 1.00 0.00 H new ATOM 0 HA SER A 8 14.357 15.055 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.751 14.002 -5.144 1.00 0.00 H new ATOM 0 HB3 SER A 8 16.289 13.393 -6.721 1.00 0.00 H new ATOM 0 HG SER A 8 15.778 15.610 -7.318 1.00 0.00 H new ATOM 77 N THR A 9 12.492 13.456 -6.474 1.00 0.00 N ATOM 78 CA THR A 9 11.525 13.195 -7.533 1.00 0.00 C ATOM 79 C THR A 9 10.180 13.840 -7.221 1.00 0.00 C ATOM 80 O THR A 9 9.808 13.990 -6.057 1.00 0.00 O ATOM 81 CB THR A 9 11.319 11.684 -7.746 1.00 0.00 C ATOM 82 OG1 THR A 9 10.438 11.460 -8.852 1.00 0.00 O ATOM 83 CG2 THR A 9 10.747 11.034 -6.496 1.00 0.00 C ATOM 0 H THR A 9 12.140 13.289 -5.531 1.00 0.00 H new ATOM 0 HA THR A 9 11.931 13.631 -8.446 1.00 0.00 H new ATOM 0 HB THR A 9 12.289 11.235 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.438 10.508 -9.083 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.610 9.967 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.434 11.180 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 9 9.786 11.489 -6.257 1.00 0.00 H new ATOM 91 N ALA A 10 9.454 14.221 -8.267 1.00 0.00 N ATOM 92 CA ALA A 10 8.148 14.848 -8.104 1.00 0.00 C ATOM 93 C ALA A 10 7.406 14.925 -9.434 1.00 0.00 C ATOM 94 O ALA A 10 8.022 14.998 -10.497 1.00 0.00 O ATOM 95 CB ALA A 10 8.301 16.236 -7.501 1.00 0.00 C ATOM 0 H ALA A 10 9.748 14.106 -9.237 1.00 0.00 H new ATOM 0 HA ALA A 10 7.559 14.232 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 10 7.318 16.693 -7.385 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.782 16.158 -6.526 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.912 16.853 -8.159 1.00 0.00 H new ATOM 101 N THR A 11 6.079 14.909 -9.367 1.00 0.00 N ATOM 102 CA THR A 11 5.252 14.975 -10.566 1.00 0.00 C ATOM 103 C THR A 11 5.395 13.709 -11.403 1.00 0.00 C ATOM 104 O THR A 11 5.441 13.768 -12.631 1.00 0.00 O ATOM 105 CB THR A 11 5.618 16.194 -11.434 1.00 0.00 C ATOM 106 OG1 THR A 11 5.658 17.376 -10.626 1.00 0.00 O ATOM 107 CG2 THR A 11 4.613 16.377 -12.560 1.00 0.00 C ATOM 0 H THR A 11 5.553 14.851 -8.495 1.00 0.00 H new ATOM 0 HA THR A 11 4.219 15.072 -10.232 1.00 0.00 H new ATOM 0 HB THR A 11 6.601 16.020 -11.871 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.893 18.146 -11.184 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.892 17.244 -13.159 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.606 15.487 -13.190 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.619 16.531 -12.139 1.00 0.00 H new ATOM 115 N GLN A 12 5.463 12.565 -10.730 1.00 0.00 N ATOM 116 CA GLN A 12 5.601 11.284 -11.413 1.00 0.00 C ATOM 117 C GLN A 12 4.681 11.214 -12.628 1.00 0.00 C ATOM 118 O GLN A 12 5.130 11.338 -13.768 1.00 0.00 O ATOM 119 CB GLN A 12 5.287 10.134 -10.454 1.00 0.00 C ATOM 120 CG GLN A 12 6.425 9.811 -9.500 1.00 0.00 C ATOM 121 CD GLN A 12 6.468 10.743 -8.305 1.00 0.00 C ATOM 122 OE1 GLN A 12 5.430 11.118 -7.759 1.00 0.00 O ATOM 123 NE2 GLN A 12 7.671 11.123 -7.892 1.00 0.00 N ATOM 0 H GLN A 12 5.425 12.499 -9.713 1.00 0.00 H new ATOM 0 HA GLN A 12 6.632 11.192 -11.754 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.399 10.387 -9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.046 9.243 -11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.321 8.784 -9.151 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.372 9.871 -10.037 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.505 10.788 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.761 11.750 -7.093 1.00 0.00 H new ATOM 132 N LYS A 13 3.392 11.013 -12.377 1.00 0.00 N ATOM 133 CA LYS A 13 2.408 10.927 -13.449 1.00 0.00 C ATOM 134 C LYS A 13 1.003 11.199 -12.921 1.00 0.00 C ATOM 135 O LYS A 13 0.622 10.707 -11.859 1.00 0.00 O ATOM 136 CB LYS A 13 2.459 9.546 -14.106 1.00 0.00 C ATOM 137 CG LYS A 13 1.988 8.423 -13.198 1.00 0.00 C ATOM 138 CD LYS A 13 2.650 7.103 -13.555 1.00 0.00 C ATOM 139 CE LYS A 13 1.910 6.393 -14.678 1.00 0.00 C ATOM 140 NZ LYS A 13 2.390 6.827 -16.020 1.00 0.00 N ATOM 0 H LYS A 13 3.004 10.907 -11.440 1.00 0.00 H new ATOM 0 HA LYS A 13 2.651 11.686 -14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.843 9.558 -15.005 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.482 9.341 -14.423 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.211 8.674 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.906 8.321 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.683 7.282 -13.855 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.680 6.461 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.042 5.316 -14.576 1.00 0.00 H new ATOM 0 HE3 LYS A 13 0.842 6.593 -14.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.658 7.406 -16.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.259 7.388 -15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.588 5.990 -16.605 1.00 0.00 H new ATOM 154 N LEU A 14 0.237 11.985 -13.670 1.00 0.00 N ATOM 155 CA LEU A 14 -1.128 12.321 -13.278 1.00 0.00 C ATOM 156 C LEU A 14 -2.126 11.873 -14.341 1.00 0.00 C ATOM 157 O LEU A 14 -2.462 12.631 -15.251 1.00 0.00 O ATOM 158 CB LEU A 14 -1.256 13.828 -13.045 1.00 0.00 C ATOM 159 CG LEU A 14 -0.696 14.352 -11.722 1.00 0.00 C ATOM 160 CD1 LEU A 14 0.784 14.674 -11.859 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.470 15.580 -11.265 1.00 0.00 C ATOM 0 H LEU A 14 0.537 12.401 -14.551 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.353 11.795 -12.350 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.751 14.346 -13.861 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.311 14.096 -13.102 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.809 13.573 -10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.165 15.046 -10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.328 13.772 -12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.921 15.435 -12.627 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.058 15.940 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.388 16.363 -12.019 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.519 15.318 -11.126 1.00 0.00 H new ATOM 173 N LEU A 15 -2.598 10.637 -14.218 1.00 0.00 N ATOM 174 CA LEU A 15 -3.560 10.088 -15.167 1.00 0.00 C ATOM 175 C LEU A 15 -4.727 9.428 -14.439 1.00 0.00 C ATOM 176 O LEU A 15 -5.886 9.787 -14.651 1.00 0.00 O ATOM 177 CB LEU A 15 -2.878 9.072 -16.085 1.00 0.00 C ATOM 178 CG LEU A 15 -3.770 8.415 -17.139 1.00 0.00 C ATOM 179 CD1 LEU A 15 -4.064 9.387 -18.271 1.00 0.00 C ATOM 180 CD2 LEU A 15 -3.117 7.150 -17.677 1.00 0.00 C ATOM 0 H LEU A 15 -2.330 9.996 -13.471 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.948 10.910 -15.769 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.053 9.570 -16.595 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.443 8.287 -15.466 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.714 8.141 -16.668 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.700 8.902 -19.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.574 10.265 -17.874 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.129 9.692 -18.740 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.766 6.696 -18.426 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.158 7.400 -18.131 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.958 6.447 -16.860 1.00 0.00 H new ATOM 192 N ARG A 16 -4.413 8.465 -13.579 1.00 0.00 N ATOM 193 CA ARG A 16 -5.435 7.757 -12.818 1.00 0.00 C ATOM 194 C ARG A 16 -4.943 7.441 -11.409 1.00 0.00 C ATOM 195 O ARG A 16 -3.739 7.368 -11.161 1.00 0.00 O ATOM 196 CB ARG A 16 -5.829 6.464 -13.534 1.00 0.00 C ATOM 197 CG ARG A 16 -6.742 6.683 -14.730 1.00 0.00 C ATOM 198 CD ARG A 16 -8.199 6.783 -14.308 1.00 0.00 C ATOM 199 NE ARG A 16 -9.110 6.472 -15.407 1.00 0.00 N ATOM 200 CZ ARG A 16 -10.398 6.194 -15.237 1.00 0.00 C ATOM 201 NH1 ARG A 16 -10.924 6.189 -14.021 1.00 0.00 N ATOM 202 NH2 ARG A 16 -11.162 5.921 -16.287 1.00 0.00 N ATOM 0 H ARG A 16 -3.459 8.157 -13.392 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.309 8.404 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.925 5.953 -13.866 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.326 5.803 -12.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.449 7.595 -15.250 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.622 5.861 -15.436 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.384 6.100 -13.479 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.402 7.790 -13.942 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.737 6.468 -16.356 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.340 6.399 -13.212 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.913 5.975 -13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.760 5.925 -17.225 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.151 5.708 -16.156 1.00 0.00 H new ATOM 216 N THR A 17 -5.883 7.253 -10.487 1.00 0.00 N ATOM 217 CA THR A 17 -5.546 6.947 -9.103 1.00 0.00 C ATOM 218 C THR A 17 -5.462 5.442 -8.878 1.00 0.00 C ATOM 219 O THR A 17 -4.815 4.980 -7.938 1.00 0.00 O ATOM 220 CB THR A 17 -6.579 7.543 -8.128 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.254 7.173 -6.784 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.982 7.064 -8.466 1.00 0.00 C ATOM 0 H THR A 17 -6.884 7.308 -10.675 1.00 0.00 H new ATOM 0 HA THR A 17 -4.572 7.396 -8.908 1.00 0.00 H new ATOM 0 HB THR A 17 -6.551 8.629 -8.223 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.409 7.936 -6.188 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.694 7.498 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.238 7.373 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.022 5.977 -8.397 1.00 0.00 H new ATOM 230 N ASP A 18 -6.119 4.681 -9.747 1.00 0.00 N ATOM 231 CA ASP A 18 -6.116 3.226 -9.643 1.00 0.00 C ATOM 232 C ASP A 18 -4.941 2.629 -10.412 1.00 0.00 C ATOM 233 O ASP A 18 -5.091 1.634 -11.122 1.00 0.00 O ATOM 234 CB ASP A 18 -7.432 2.654 -10.173 1.00 0.00 C ATOM 235 CG ASP A 18 -8.561 2.771 -9.168 1.00 0.00 C ATOM 236 OD1 ASP A 18 -9.198 3.844 -9.114 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.807 1.790 -8.436 1.00 0.00 O ATOM 0 H ASP A 18 -6.660 5.047 -10.530 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.011 2.961 -8.591 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.709 3.176 -11.089 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.290 1.605 -10.435 1.00 0.00 H new ATOM 242 N LYS A 19 -3.772 3.243 -10.266 1.00 0.00 N ATOM 243 CA LYS A 19 -2.571 2.773 -10.945 1.00 0.00 C ATOM 244 C LYS A 19 -1.433 2.560 -9.952 1.00 0.00 C ATOM 245 O LYS A 19 -0.954 3.508 -9.328 1.00 0.00 O ATOM 246 CB LYS A 19 -2.143 3.774 -12.020 1.00 0.00 C ATOM 247 CG LYS A 19 -3.130 3.892 -13.169 1.00 0.00 C ATOM 248 CD LYS A 19 -2.968 2.754 -14.163 1.00 0.00 C ATOM 249 CE LYS A 19 -1.819 3.014 -15.125 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.801 2.033 -16.245 1.00 0.00 N ATOM 0 H LYS A 19 -3.631 4.068 -9.683 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.801 1.818 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.014 4.754 -11.561 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.172 3.477 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.147 3.892 -12.777 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.984 4.845 -13.678 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.790 1.823 -13.626 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.893 2.626 -14.725 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.904 4.023 -15.528 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.874 2.965 -14.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.895 1.523 -16.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.580 1.354 -16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.916 2.535 -17.148 1.00 0.00 H new ATOM 264 N LEU A 20 -1.002 1.311 -9.812 1.00 0.00 N ATOM 265 CA LEU A 20 0.082 0.974 -8.895 1.00 0.00 C ATOM 266 C LEU A 20 1.351 0.614 -9.662 1.00 0.00 C ATOM 267 O LEU A 20 1.351 -0.300 -10.485 1.00 0.00 O ATOM 268 CB LEU A 20 -0.330 -0.191 -7.994 1.00 0.00 C ATOM 269 CG LEU A 20 -1.017 0.186 -6.681 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.680 -1.031 -6.055 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.018 0.807 -5.716 1.00 0.00 C ATOM 0 H LEU A 20 -1.386 0.515 -10.321 1.00 0.00 H new ATOM 0 HA LEU A 20 0.288 1.848 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.000 -0.841 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.560 -0.776 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.790 0.923 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.163 -0.742 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.426 -1.432 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.926 -1.792 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.524 1.069 -4.787 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.778 0.092 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.409 1.705 -6.162 1.00 0.00 H new ATOM 283 N GLU A 21 2.429 1.340 -9.383 1.00 0.00 N ATOM 284 CA GLU A 21 3.705 1.096 -10.046 1.00 0.00 C ATOM 285 C GLU A 21 4.293 -0.246 -9.618 1.00 0.00 C ATOM 286 O GLU A 21 4.463 -0.510 -8.428 1.00 0.00 O ATOM 287 CB GLU A 21 4.692 2.221 -9.731 1.00 0.00 C ATOM 288 CG GLU A 21 4.356 3.535 -10.416 1.00 0.00 C ATOM 289 CD GLU A 21 4.947 4.734 -9.699 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.790 4.824 -8.464 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.566 5.582 -10.375 1.00 0.00 O ATOM 0 H GLU A 21 2.444 2.101 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 21 3.527 1.069 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.718 2.379 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.693 1.910 -10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.725 3.511 -11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.273 3.646 -10.470 1.00 0.00 H new ATOM 298 N VAL A 22 4.601 -1.090 -10.597 1.00 0.00 N ATOM 299 CA VAL A 22 5.170 -2.405 -10.323 1.00 0.00 C ATOM 300 C VAL A 22 6.660 -2.305 -10.016 1.00 0.00 C ATOM 301 O VAL A 22 7.418 -1.680 -10.758 1.00 0.00 O ATOM 302 CB VAL A 22 4.965 -3.364 -11.511 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.904 -4.555 -11.403 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.516 -3.821 -11.582 1.00 0.00 C ATOM 0 H VAL A 22 4.466 -0.887 -11.587 1.00 0.00 H new ATOM 0 HA VAL A 22 4.648 -2.801 -9.452 1.00 0.00 H new ATOM 0 HB VAL A 22 5.199 -2.830 -12.432 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.745 -5.222 -12.251 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.936 -4.206 -11.405 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.705 -5.093 -10.476 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.389 -4.498 -12.427 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.252 -4.338 -10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.867 -2.955 -11.710 1.00 0.00 H new ATOM 314 N CYS A 23 7.074 -2.926 -8.916 1.00 0.00 N ATOM 315 CA CYS A 23 8.474 -2.908 -8.509 1.00 0.00 C ATOM 316 C CYS A 23 9.360 -3.538 -9.580 1.00 0.00 C ATOM 317 O CYS A 23 8.934 -4.440 -10.301 1.00 0.00 O ATOM 318 CB CYS A 23 8.650 -3.651 -7.183 1.00 0.00 C ATOM 319 SG CYS A 23 10.021 -3.029 -6.159 1.00 0.00 S ATOM 0 H CYS A 23 6.460 -3.448 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 23 8.776 -1.869 -8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.724 -3.580 -6.613 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.816 -4.708 -7.390 1.00 0.00 H new ATOM 324 N ARG A 24 10.594 -3.055 -9.677 1.00 0.00 N ATOM 325 CA ARG A 24 11.540 -3.569 -10.660 1.00 0.00 C ATOM 326 C ARG A 24 12.380 -4.698 -10.068 1.00 0.00 C ATOM 327 O ARG A 24 12.797 -5.611 -10.778 1.00 0.00 O ATOM 328 CB ARG A 24 12.453 -2.447 -11.156 1.00 0.00 C ATOM 329 CG ARG A 24 11.902 -1.702 -12.361 1.00 0.00 C ATOM 330 CD ARG A 24 12.802 -0.542 -12.759 1.00 0.00 C ATOM 331 NE ARG A 24 12.055 0.537 -13.398 1.00 0.00 N ATOM 332 CZ ARG A 24 12.620 1.486 -14.135 1.00 0.00 C ATOM 333 NH1 ARG A 24 13.932 1.489 -14.326 1.00 0.00 N ATOM 334 NH2 ARG A 24 11.872 2.435 -14.684 1.00 0.00 N ATOM 0 H ARG A 24 10.962 -2.309 -9.087 1.00 0.00 H new ATOM 0 HA ARG A 24 10.971 -3.965 -11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.617 -1.738 -10.345 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.425 -2.868 -11.413 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.801 -2.390 -13.200 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.904 -1.328 -12.134 1.00 0.00 H new ATOM 0 HD2 ARG A 24 13.309 -0.157 -11.874 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.575 -0.900 -13.439 1.00 0.00 H new ATOM 0 HE ARG A 24 11.043 0.563 -13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.510 0.761 -13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.363 2.219 -14.893 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.862 2.436 -14.540 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.307 3.164 -15.250 1.00 0.00 H new ATOM 348 N GLU A 25 12.623 -4.626 -8.763 1.00 0.00 N ATOM 349 CA GLU A 25 13.414 -5.640 -8.076 1.00 0.00 C ATOM 350 C GLU A 25 12.623 -6.937 -7.926 1.00 0.00 C ATOM 351 O GLU A 25 13.007 -7.977 -8.461 1.00 0.00 O ATOM 352 CB GLU A 25 13.850 -5.134 -6.700 1.00 0.00 C ATOM 353 CG GLU A 25 14.833 -3.977 -6.761 1.00 0.00 C ATOM 354 CD GLU A 25 14.143 -2.627 -6.785 1.00 0.00 C ATOM 355 OE1 GLU A 25 12.937 -2.581 -7.106 1.00 0.00 O ATOM 356 OE2 GLU A 25 14.810 -1.615 -6.482 1.00 0.00 O ATOM 0 H GLU A 25 12.283 -3.876 -8.161 1.00 0.00 H new ATOM 0 HA GLU A 25 14.300 -5.842 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.968 -4.821 -6.141 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.303 -5.956 -6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.499 -4.025 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.454 -4.079 -7.651 1.00 0.00 H new ATOM 363 N PHE A 26 11.516 -6.866 -7.194 1.00 0.00 N ATOM 364 CA PHE A 26 10.671 -8.033 -6.971 1.00 0.00 C ATOM 365 C PHE A 26 10.572 -8.882 -8.235 1.00 0.00 C ATOM 366 O PHE A 26 10.666 -10.108 -8.180 1.00 0.00 O ATOM 367 CB PHE A 26 9.273 -7.600 -6.523 1.00 0.00 C ATOM 368 CG PHE A 26 8.188 -8.550 -6.942 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.644 -8.483 -8.215 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.711 -9.509 -6.064 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.645 -9.355 -8.604 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.713 -10.385 -6.447 1.00 0.00 C ATOM 373 CZ PHE A 26 6.179 -10.307 -7.718 1.00 0.00 C ATOM 0 H PHE A 26 11.183 -6.013 -6.745 1.00 0.00 H new ATOM 0 HA PHE A 26 11.126 -8.635 -6.185 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.262 -7.504 -5.437 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.059 -6.613 -6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.005 -7.741 -8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.124 -9.573 -5.068 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.229 -9.292 -9.599 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.351 -11.129 -5.753 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.398 -10.989 -8.019 1.00 0.00 H new ATOM 383 N GLN A 27 10.380 -8.220 -9.372 1.00 0.00 N ATOM 384 CA GLN A 27 10.266 -8.914 -10.649 1.00 0.00 C ATOM 385 C GLN A 27 11.315 -10.015 -10.766 1.00 0.00 C ATOM 386 O GLN A 27 11.002 -11.148 -11.130 1.00 0.00 O ATOM 387 CB GLN A 27 10.418 -7.925 -11.806 1.00 0.00 C ATOM 388 CG GLN A 27 9.121 -7.227 -12.183 1.00 0.00 C ATOM 389 CD GLN A 27 9.073 -6.837 -13.647 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.794 -7.395 -14.474 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.219 -5.874 -13.976 1.00 0.00 N ATOM 0 H GLN A 27 10.300 -7.205 -9.434 1.00 0.00 H new ATOM 0 HA GLN A 27 9.278 -9.372 -10.698 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.160 -7.174 -11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.803 -8.454 -12.678 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.281 -7.884 -11.958 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.001 -6.334 -11.569 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.640 -5.438 -13.258 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.142 -5.570 -14.947 1.00 0.00 H new ATOM 400 N ARG A 28 12.561 -9.674 -10.455 1.00 0.00 N ATOM 401 CA ARG A 28 13.657 -10.633 -10.527 1.00 0.00 C ATOM 402 C ARG A 28 13.837 -11.354 -9.194 1.00 0.00 C ATOM 403 O ARG A 28 14.444 -12.422 -9.131 1.00 0.00 O ATOM 404 CB ARG A 28 14.957 -9.927 -10.916 1.00 0.00 C ATOM 405 CG ARG A 28 15.671 -9.276 -9.742 1.00 0.00 C ATOM 406 CD ARG A 28 16.509 -8.088 -10.190 1.00 0.00 C ATOM 407 NE ARG A 28 16.726 -7.133 -9.107 1.00 0.00 N ATOM 408 CZ ARG A 28 17.750 -6.287 -9.067 1.00 0.00 C ATOM 409 NH1 ARG A 28 18.645 -6.278 -10.045 1.00 0.00 N ATOM 410 NH2 ARG A 28 17.879 -5.448 -8.047 1.00 0.00 N ATOM 0 H ARG A 28 12.837 -8.740 -10.151 1.00 0.00 H new ATOM 0 HA ARG A 28 13.410 -11.371 -11.290 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.627 -10.649 -11.383 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.737 -9.166 -11.664 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.938 -8.948 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.311 -10.010 -9.251 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.471 -8.442 -10.560 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.013 -7.587 -11.021 1.00 0.00 H new ATOM 0 HE ARG A 28 16.055 -7.114 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.549 -6.921 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.430 -5.628 -10.012 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.192 -5.452 -7.293 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.665 -4.799 -8.017 1.00 0.00 H new ATOM 424 N GLY A 29 13.303 -10.761 -8.129 1.00 0.00 N ATOM 425 CA GLY A 29 13.416 -11.360 -6.813 1.00 0.00 C ATOM 426 C GLY A 29 14.558 -10.776 -6.005 1.00 0.00 C ATOM 427 O GLY A 29 15.405 -11.508 -5.496 1.00 0.00 O ATOM 0 H GLY A 29 12.795 -9.877 -8.155 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.481 -11.217 -6.271 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.562 -12.435 -6.918 1.00 0.00 H new ATOM 431 N ASN A 30 14.582 -9.452 -5.890 1.00 0.00 N ATOM 432 CA ASN A 30 15.630 -8.769 -5.141 1.00 0.00 C ATOM 433 C ASN A 30 15.032 -7.879 -4.056 1.00 0.00 C ATOM 434 O ASN A 30 15.649 -7.650 -3.015 1.00 0.00 O ATOM 435 CB ASN A 30 16.496 -7.930 -6.084 1.00 0.00 C ATOM 436 CG ASN A 30 17.913 -7.760 -5.571 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.131 -7.233 -4.480 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.884 -8.208 -6.358 1.00 0.00 N ATOM 0 H ASN A 30 13.888 -8.831 -6.306 1.00 0.00 H new ATOM 0 HA ASN A 30 16.252 -9.526 -4.663 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.522 -8.403 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.040 -6.949 -6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.858 -8.122 -6.066 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.656 -8.638 -7.254 1.00 0.00 H new ATOM 445 N CYS A 31 13.826 -7.381 -4.305 1.00 0.00 N ATOM 446 CA CYS A 31 13.142 -6.517 -3.350 1.00 0.00 C ATOM 447 C CYS A 31 13.003 -7.206 -1.996 1.00 0.00 C ATOM 448 O CYS A 31 12.540 -8.342 -1.910 1.00 0.00 O ATOM 449 CB CYS A 31 11.761 -6.128 -3.881 1.00 0.00 C ATOM 450 SG CYS A 31 11.033 -4.673 -3.061 1.00 0.00 S ATOM 0 H CYS A 31 13.301 -7.561 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 31 13.741 -5.616 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.837 -5.929 -4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.086 -6.975 -3.762 1.00 0.00 H new ATOM 455 N ALA A 32 13.409 -6.508 -0.939 1.00 0.00 N ATOM 456 CA ALA A 32 13.328 -7.051 0.411 1.00 0.00 C ATOM 457 C ALA A 32 12.191 -6.404 1.195 1.00 0.00 C ATOM 458 O ALA A 32 11.693 -6.973 2.167 1.00 0.00 O ATOM 459 CB ALA A 32 14.650 -6.857 1.138 1.00 0.00 C ATOM 0 H ALA A 32 13.797 -5.566 -0.992 1.00 0.00 H new ATOM 0 HA ALA A 32 13.121 -8.118 0.335 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.575 -7.267 2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.443 -7.371 0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.881 -5.793 1.196 1.00 0.00 H new ATOM 465 N ARG A 33 11.786 -5.213 0.767 1.00 0.00 N ATOM 466 CA ARG A 33 10.709 -4.489 1.431 1.00 0.00 C ATOM 467 C ARG A 33 9.358 -5.137 1.141 1.00 0.00 C ATOM 468 O ARG A 33 8.388 -4.925 1.867 1.00 0.00 O ATOM 469 CB ARG A 33 10.693 -3.028 0.978 1.00 0.00 C ATOM 470 CG ARG A 33 11.673 -2.145 1.734 1.00 0.00 C ATOM 471 CD ARG A 33 11.770 -0.761 1.113 1.00 0.00 C ATOM 472 NE ARG A 33 13.047 -0.117 1.408 1.00 0.00 N ATOM 473 CZ ARG A 33 14.217 -0.574 0.978 1.00 0.00 C ATOM 474 NH1 ARG A 33 14.272 -1.672 0.237 1.00 0.00 N ATOM 475 NH2 ARG A 33 15.336 0.068 1.288 1.00 0.00 N ATOM 0 H ARG A 33 12.187 -4.729 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 33 10.888 -4.528 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.924 -2.984 -0.086 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.686 -2.629 1.103 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.358 -2.057 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.657 -2.613 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.644 -0.839 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.956 -0.139 1.485 1.00 0.00 H new ATOM 0 HE ARG A 33 13.040 0.730 1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.414 -2.168 -0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.172 -2.021 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.298 0.914 1.857 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.234 -0.284 0.957 1.00 0.00 H new ATOM 489 N GLY A 34 9.304 -5.928 0.074 1.00 0.00 N ATOM 490 CA GLY A 34 8.068 -6.594 -0.294 1.00 0.00 C ATOM 491 C GLY A 34 6.922 -5.622 -0.494 1.00 0.00 C ATOM 492 O GLY A 34 7.012 -4.459 -0.100 1.00 0.00 O ATOM 0 H GLY A 34 10.094 -6.120 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.224 -7.161 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.801 -7.311 0.482 1.00 0.00 H new ATOM 496 N GLU A 35 5.844 -6.098 -1.108 1.00 0.00 N ATOM 497 CA GLU A 35 4.677 -5.260 -1.361 1.00 0.00 C ATOM 498 C GLU A 35 4.170 -4.629 -0.067 1.00 0.00 C ATOM 499 O GLU A 35 3.341 -3.718 -0.090 1.00 0.00 O ATOM 500 CB GLU A 35 3.563 -6.083 -2.012 1.00 0.00 C ATOM 501 CG GLU A 35 3.383 -7.460 -1.395 1.00 0.00 C ATOM 502 CD GLU A 35 1.976 -7.997 -1.569 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.027 -7.342 -1.090 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.823 -9.073 -2.185 1.00 0.00 O ATOM 0 H GLU A 35 5.754 -7.058 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 35 4.974 -4.462 -2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.625 -5.534 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.780 -6.196 -3.074 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.091 -8.153 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.621 -7.412 -0.332 1.00 0.00 H new ATOM 511 N THR A 36 4.672 -5.121 1.061 1.00 0.00 N ATOM 512 CA THR A 36 4.269 -4.608 2.364 1.00 0.00 C ATOM 513 C THR A 36 5.048 -3.347 2.723 1.00 0.00 C ATOM 514 O THR A 36 4.477 -2.261 2.822 1.00 0.00 O ATOM 515 CB THR A 36 4.478 -5.659 3.471 1.00 0.00 C ATOM 516 OG1 THR A 36 5.815 -6.168 3.417 1.00 0.00 O ATOM 517 CG2 THR A 36 3.487 -6.804 3.323 1.00 0.00 C ATOM 0 H THR A 36 5.359 -5.874 1.098 1.00 0.00 H new ATOM 0 HA THR A 36 3.208 -4.370 2.295 1.00 0.00 H new ATOM 0 HB THR A 36 4.312 -5.178 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.940 -6.834 4.125 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.653 -7.534 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.471 -6.417 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.626 -7.283 2.354 1.00 0.00 H new ATOM 525 N ASP A 37 6.353 -3.499 2.917 1.00 0.00 N ATOM 526 CA ASP A 37 7.211 -2.371 3.264 1.00 0.00 C ATOM 527 C ASP A 37 7.613 -1.591 2.016 1.00 0.00 C ATOM 528 O ASP A 37 8.388 -0.637 2.090 1.00 0.00 O ATOM 529 CB ASP A 37 8.459 -2.860 4.000 1.00 0.00 C ATOM 530 CG ASP A 37 9.113 -1.765 4.820 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.427 -0.772 5.137 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.312 -1.901 5.142 1.00 0.00 O ATOM 0 H ASP A 37 6.840 -4.392 2.840 1.00 0.00 H new ATOM 0 HA ASP A 37 6.649 -1.706 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.190 -3.689 4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.177 -3.246 3.276 1.00 0.00 H new ATOM 537 N CYS A 38 7.084 -2.004 0.869 1.00 0.00 N ATOM 538 CA CYS A 38 7.388 -1.347 -0.395 1.00 0.00 C ATOM 539 C CYS A 38 6.192 -0.539 -0.890 1.00 0.00 C ATOM 540 O CYS A 38 5.046 -0.840 -0.557 1.00 0.00 O ATOM 541 CB CYS A 38 7.790 -2.381 -1.449 1.00 0.00 C ATOM 542 SG CYS A 38 8.619 -1.673 -2.908 1.00 0.00 S ATOM 0 H CYS A 38 6.442 -2.792 0.790 1.00 0.00 H new ATOM 0 HA CYS A 38 8.222 -0.665 -0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.452 -3.114 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.899 -2.917 -1.775 1.00 0.00 H new ATOM 547 N ARG A 39 6.468 0.489 -1.687 1.00 0.00 N ATOM 548 CA ARG A 39 5.416 1.341 -2.227 1.00 0.00 C ATOM 549 C ARG A 39 4.991 0.868 -3.615 1.00 0.00 C ATOM 550 O ARG A 39 4.223 1.539 -4.303 1.00 0.00 O ATOM 551 CB ARG A 39 5.891 2.793 -2.295 1.00 0.00 C ATOM 552 CG ARG A 39 6.768 3.091 -3.500 1.00 0.00 C ATOM 553 CD ARG A 39 8.244 2.938 -3.166 1.00 0.00 C ATOM 554 NE ARG A 39 8.654 3.824 -2.080 1.00 0.00 N ATOM 555 CZ ARG A 39 9.914 4.186 -1.863 1.00 0.00 C ATOM 556 NH1 ARG A 39 10.880 3.741 -2.654 1.00 0.00 N ATOM 557 NH2 ARG A 39 10.208 4.996 -0.854 1.00 0.00 N ATOM 0 H ARG A 39 7.411 0.751 -1.973 1.00 0.00 H new ATOM 0 HA ARG A 39 4.555 1.278 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.022 3.450 -2.318 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.445 3.028 -1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.507 2.418 -4.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.576 4.106 -3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.447 1.904 -2.887 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.840 3.152 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 39 7.934 4.185 -1.454 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.657 3.119 -3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.846 4.020 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.467 5.341 -0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.175 5.273 -0.688 1.00 0.00 H new ATOM 571 N PHE A 40 5.498 -0.292 -4.019 1.00 0.00 N ATOM 572 CA PHE A 40 5.173 -0.855 -5.325 1.00 0.00 C ATOM 573 C PHE A 40 4.372 -2.145 -5.177 1.00 0.00 C ATOM 574 O PHE A 40 4.725 -3.020 -4.386 1.00 0.00 O ATOM 575 CB PHE A 40 6.452 -1.124 -6.120 1.00 0.00 C ATOM 576 CG PHE A 40 7.265 0.111 -6.383 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.757 1.139 -7.161 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.539 0.245 -5.853 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.502 2.277 -7.405 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.288 1.381 -6.093 1.00 0.00 C ATOM 581 CZ PHE A 40 8.770 2.398 -6.871 1.00 0.00 C ATOM 0 H PHE A 40 6.135 -0.861 -3.461 1.00 0.00 H new ATOM 0 HA PHE A 40 4.564 -0.130 -5.864 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.064 -1.843 -5.576 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.188 -1.585 -7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.766 1.050 -7.582 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.951 -0.548 -5.246 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.093 3.071 -8.013 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.278 1.474 -5.672 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.355 3.286 -7.061 1.00 0.00 H new ATOM 591 N ALA A 41 3.292 -2.255 -5.943 1.00 0.00 N ATOM 592 CA ALA A 41 2.441 -3.438 -5.900 1.00 0.00 C ATOM 593 C ALA A 41 3.083 -4.603 -6.645 1.00 0.00 C ATOM 594 O ALA A 41 2.985 -4.701 -7.868 1.00 0.00 O ATOM 595 CB ALA A 41 1.072 -3.125 -6.484 1.00 0.00 C ATOM 0 H ALA A 41 2.985 -1.539 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 41 2.320 -3.731 -4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.447 -4.017 -6.445 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.603 -2.329 -5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.183 -2.804 -7.520 1.00 0.00 H new ATOM 601 N HIS A 42 3.741 -5.486 -5.899 1.00 0.00 N ATOM 602 CA HIS A 42 4.399 -6.646 -6.490 1.00 0.00 C ATOM 603 C HIS A 42 3.373 -7.623 -7.056 1.00 0.00 C ATOM 604 O HIS A 42 2.604 -8.246 -6.324 1.00 0.00 O ATOM 605 CB HIS A 42 5.271 -7.349 -5.449 1.00 0.00 C ATOM 606 CG HIS A 42 6.293 -6.453 -4.820 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.205 -6.894 -3.884 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.545 -5.136 -4.998 1.00 0.00 C ATOM 609 CE1 HIS A 42 7.973 -5.885 -3.513 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.594 -4.807 -4.175 1.00 0.00 N ATOM 0 H HIS A 42 3.832 -5.420 -4.885 1.00 0.00 H new ATOM 0 HA HIS A 42 5.031 -6.298 -7.307 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.631 -7.760 -4.669 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.779 -8.190 -5.921 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.275 -7.849 -3.533 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.019 -4.468 -5.664 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.775 -5.934 -2.791 1.00 0.00 H new ATOM 618 N PRO A 43 3.360 -7.760 -8.390 1.00 0.00 N ATOM 619 CA PRO A 43 2.433 -8.659 -9.084 1.00 0.00 C ATOM 620 C PRO A 43 2.758 -10.129 -8.838 1.00 0.00 C ATOM 621 O PRO A 43 3.435 -10.767 -9.643 1.00 0.00 O ATOM 622 CB PRO A 43 2.634 -8.307 -10.560 1.00 0.00 C ATOM 623 CG PRO A 43 4.015 -7.753 -10.632 1.00 0.00 C ATOM 624 CD PRO A 43 4.248 -7.048 -9.324 1.00 0.00 C ATOM 0 HA PRO A 43 1.407 -8.533 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.527 -9.186 -11.195 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.897 -7.578 -10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.746 -8.547 -10.783 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.116 -7.063 -11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.291 -7.111 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.998 -5.989 -9.388 1.00 0.00 H new ATOM 632 N ALA A 44 2.270 -10.659 -7.721 1.00 0.00 N ATOM 633 CA ALA A 44 2.507 -12.054 -7.371 1.00 0.00 C ATOM 634 C ALA A 44 1.966 -12.990 -8.447 1.00 0.00 C ATOM 635 O ALA A 44 2.245 -14.189 -8.438 1.00 0.00 O ATOM 636 CB ALA A 44 1.877 -12.375 -6.024 1.00 0.00 C ATOM 0 H ALA A 44 1.708 -10.143 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 44 3.584 -12.207 -7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.062 -13.420 -5.776 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.314 -11.737 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.803 -12.199 -6.074 1.00 0.00 H new ATOM 642 N ASP A 45 1.190 -12.434 -9.372 1.00 0.00 N ATOM 643 CA ASP A 45 0.610 -13.219 -10.455 1.00 0.00 C ATOM 644 C ASP A 45 1.508 -13.193 -11.687 1.00 0.00 C ATOM 645 O ASP A 45 1.135 -13.689 -12.750 1.00 0.00 O ATOM 646 CB ASP A 45 -0.780 -12.688 -10.810 1.00 0.00 C ATOM 647 CG ASP A 45 -0.830 -11.174 -10.846 1.00 0.00 C ATOM 648 OD1 ASP A 45 0.232 -10.550 -11.058 1.00 0.00 O ATOM 649 OD2 ASP A 45 -1.929 -10.612 -10.662 1.00 0.00 O ATOM 0 H ASP A 45 0.949 -11.443 -9.393 1.00 0.00 H new ATOM 0 HA ASP A 45 0.521 -14.251 -10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.079 -13.082 -11.782 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.503 -13.055 -10.081 1.00 0.00 H new ATOM 654 N SER A 46 2.693 -12.609 -11.537 1.00 0.00 N ATOM 655 CA SER A 46 3.643 -12.513 -12.639 1.00 0.00 C ATOM 656 C SER A 46 2.918 -12.290 -13.963 1.00 0.00 C ATOM 657 O SER A 46 3.196 -12.961 -14.958 1.00 0.00 O ATOM 658 CB SER A 46 4.495 -13.781 -12.718 1.00 0.00 C ATOM 659 OG SER A 46 5.534 -13.758 -11.756 1.00 0.00 O ATOM 0 H SER A 46 3.018 -12.195 -10.663 1.00 0.00 H new ATOM 0 HA SER A 46 4.293 -11.658 -12.452 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.866 -14.656 -12.557 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.922 -13.874 -13.717 1.00 0.00 H new ATOM 0 HG SER A 46 6.063 -14.580 -11.826 1.00 0.00 H new ATOM 665 N THR A 47 1.985 -11.343 -13.968 1.00 0.00 N ATOM 666 CA THR A 47 1.219 -11.031 -15.168 1.00 0.00 C ATOM 667 C THR A 47 0.508 -9.689 -15.034 1.00 0.00 C ATOM 668 O THR A 47 0.603 -9.027 -14.001 1.00 0.00 O ATOM 669 CB THR A 47 0.175 -12.124 -15.467 1.00 0.00 C ATOM 670 OG1 THR A 47 -0.382 -11.926 -16.772 1.00 0.00 O ATOM 671 CG2 THR A 47 -0.937 -12.109 -14.429 1.00 0.00 C ATOM 0 H THR A 47 1.742 -10.779 -13.154 1.00 0.00 H new ATOM 0 HA THR A 47 1.930 -10.981 -15.993 1.00 0.00 H new ATOM 0 HB THR A 47 0.674 -13.092 -15.428 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.255 -11.487 -16.692 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.662 -12.889 -14.661 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.514 -12.289 -13.440 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.433 -11.138 -14.441 1.00 0.00 H new ATOM 679 N MET A 48 -0.203 -9.294 -16.084 1.00 0.00 N ATOM 680 CA MET A 48 -0.931 -8.030 -16.081 1.00 0.00 C ATOM 681 C MET A 48 0.024 -6.853 -15.917 1.00 0.00 C ATOM 682 O MET A 48 -0.292 -5.876 -15.237 1.00 0.00 O ATOM 683 CB MET A 48 -1.971 -8.019 -14.959 1.00 0.00 C ATOM 684 CG MET A 48 -3.212 -8.839 -15.272 1.00 0.00 C ATOM 685 SD MET A 48 -4.542 -8.567 -14.085 1.00 0.00 S ATOM 686 CE MET A 48 -3.871 -9.375 -12.634 1.00 0.00 C ATOM 0 H MET A 48 -0.291 -9.830 -16.947 1.00 0.00 H new ATOM 0 HA MET A 48 -1.440 -7.930 -17.040 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.513 -8.402 -14.047 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.267 -6.989 -14.759 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.566 -8.588 -16.272 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.950 -9.897 -15.283 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.622 -9.386 -11.844 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.592 -10.399 -12.884 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.990 -8.833 -12.290 1.00 0.00 H new ATOM 696 N ILE A 49 1.191 -6.952 -16.544 1.00 0.00 N ATOM 697 CA ILE A 49 2.191 -5.894 -16.467 1.00 0.00 C ATOM 698 C ILE A 49 2.416 -5.251 -17.831 1.00 0.00 C ATOM 699 O ILE A 49 2.303 -5.908 -18.866 1.00 0.00 O ATOM 700 CB ILE A 49 3.535 -6.427 -15.936 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.342 -7.086 -14.568 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.554 -5.301 -15.849 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.344 -8.182 -14.279 1.00 0.00 C ATOM 0 H ILE A 49 1.467 -7.754 -17.111 1.00 0.00 H new ATOM 0 HA ILE A 49 1.806 -5.146 -15.774 1.00 0.00 H new ATOM 0 HB ILE A 49 3.912 -7.178 -16.630 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.416 -6.323 -13.793 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.336 -7.501 -14.512 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.499 -5.693 -15.472 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.708 -4.873 -16.839 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.186 -4.529 -15.173 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.147 -8.604 -13.293 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.255 -8.964 -15.033 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.352 -7.769 -14.302 1.00 0.00 H new ATOM 715 N ASP A 50 2.737 -3.962 -17.825 1.00 0.00 N ATOM 716 CA ASP A 50 2.981 -3.229 -19.062 1.00 0.00 C ATOM 717 C ASP A 50 4.432 -2.765 -19.141 1.00 0.00 C ATOM 718 O ASP A 50 4.899 -2.000 -18.296 1.00 0.00 O ATOM 719 CB ASP A 50 2.042 -2.025 -19.161 1.00 0.00 C ATOM 720 CG ASP A 50 0.736 -2.366 -19.851 1.00 0.00 C ATOM 721 OD1 ASP A 50 -0.069 -3.118 -19.262 1.00 0.00 O ATOM 722 OD2 ASP A 50 0.518 -1.879 -20.981 1.00 0.00 O ATOM 0 H ASP A 50 2.834 -3.403 -16.977 1.00 0.00 H new ATOM 0 HA ASP A 50 2.787 -3.901 -19.898 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.833 -1.647 -18.160 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.540 -1.223 -19.707 1.00 0.00 H new ATOM 727 N THR A 51 5.143 -3.233 -20.163 1.00 0.00 N ATOM 728 CA THR A 51 6.542 -2.868 -20.351 1.00 0.00 C ATOM 729 C THR A 51 6.674 -1.428 -20.835 1.00 0.00 C ATOM 730 O THR A 51 7.777 -0.953 -21.104 1.00 0.00 O ATOM 731 CB THR A 51 7.235 -3.803 -21.361 1.00 0.00 C ATOM 732 OG1 THR A 51 6.599 -3.700 -22.640 1.00 0.00 O ATOM 733 CG2 THR A 51 7.190 -5.246 -20.881 1.00 0.00 C ATOM 0 H THR A 51 4.773 -3.865 -20.873 1.00 0.00 H new ATOM 0 HA THR A 51 7.029 -2.968 -19.381 1.00 0.00 H new ATOM 0 HB THR A 51 8.278 -3.498 -21.449 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.046 -4.296 -23.277 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.685 -5.888 -21.610 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.700 -5.326 -19.921 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.152 -5.559 -20.767 1.00 0.00 H new ATOM 741 N SER A 52 5.543 -0.739 -20.943 1.00 0.00 N ATOM 742 CA SER A 52 5.533 0.646 -21.398 1.00 0.00 C ATOM 743 C SER A 52 5.475 1.607 -20.214 1.00 0.00 C ATOM 744 O SER A 52 6.120 2.656 -20.219 1.00 0.00 O ATOM 745 CB SER A 52 4.341 0.892 -22.326 1.00 0.00 C ATOM 746 OG SER A 52 4.205 2.270 -22.628 1.00 0.00 O ATOM 0 H SER A 52 4.622 -1.117 -20.722 1.00 0.00 H new ATOM 0 HA SER A 52 6.457 0.828 -21.947 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.471 0.326 -23.248 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.428 0.528 -21.855 1.00 0.00 H new ATOM 0 HG SER A 52 3.438 2.400 -23.223 1.00 0.00 H new ATOM 752 N ASP A 53 4.699 1.240 -19.200 1.00 0.00 N ATOM 753 CA ASP A 53 4.557 2.067 -18.008 1.00 0.00 C ATOM 754 C ASP A 53 4.951 1.288 -16.756 1.00 0.00 C ATOM 755 O ASP A 53 5.426 1.864 -15.779 1.00 0.00 O ATOM 756 CB ASP A 53 3.119 2.570 -17.878 1.00 0.00 C ATOM 757 CG ASP A 53 2.868 3.821 -18.698 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.127 4.929 -18.184 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.411 3.691 -19.853 1.00 0.00 O ATOM 0 H ASP A 53 4.159 0.375 -19.180 1.00 0.00 H new ATOM 0 HA ASP A 53 5.225 2.922 -18.108 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.432 1.786 -18.197 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.902 2.776 -16.830 1.00 0.00 H new ATOM 764 N ASN A 54 4.748 -0.025 -16.795 1.00 0.00 N ATOM 765 CA ASN A 54 5.081 -0.883 -15.663 1.00 0.00 C ATOM 766 C ASN A 54 4.140 -0.625 -14.490 1.00 0.00 C ATOM 767 O ASN A 54 4.567 -0.575 -13.336 1.00 0.00 O ATOM 768 CB ASN A 54 6.530 -0.653 -15.230 1.00 0.00 C ATOM 769 CG ASN A 54 7.111 -1.846 -14.497 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.789 -2.994 -14.803 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.973 -1.580 -13.522 1.00 0.00 N ATOM 0 H ASN A 54 4.355 -0.518 -17.597 1.00 0.00 H new ATOM 0 HA ASN A 54 4.964 -1.920 -15.978 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.139 -0.438 -16.108 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.579 0.225 -14.586 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.396 -2.343 -12.993 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.211 -0.613 -13.302 1.00 0.00 H new ATOM 778 N THR A 55 2.856 -0.460 -14.793 1.00 0.00 N ATOM 779 CA THR A 55 1.855 -0.206 -13.765 1.00 0.00 C ATOM 780 C THR A 55 0.691 -1.185 -13.877 1.00 0.00 C ATOM 781 O THR A 55 0.370 -1.661 -14.966 1.00 0.00 O ATOM 782 CB THR A 55 1.311 1.232 -13.853 1.00 0.00 C ATOM 783 OG1 THR A 55 0.825 1.492 -15.175 1.00 0.00 O ATOM 784 CG2 THR A 55 2.392 2.242 -13.497 1.00 0.00 C ATOM 0 H THR A 55 2.485 -0.498 -15.742 1.00 0.00 H new ATOM 0 HA THR A 55 2.349 -0.341 -12.803 1.00 0.00 H new ATOM 0 HB THR A 55 0.493 1.332 -13.139 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.030 2.418 -15.423 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.985 3.251 -13.566 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.739 2.060 -12.480 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.228 2.140 -14.190 1.00 0.00 H new ATOM 792 N VAL A 56 0.062 -1.481 -12.744 1.00 0.00 N ATOM 793 CA VAL A 56 -1.068 -2.402 -12.716 1.00 0.00 C ATOM 794 C VAL A 56 -2.344 -1.693 -12.278 1.00 0.00 C ATOM 795 O VAL A 56 -2.318 -0.827 -11.403 1.00 0.00 O ATOM 796 CB VAL A 56 -0.802 -3.588 -11.769 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.288 -4.487 -12.333 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.429 -3.089 -10.382 1.00 0.00 C ATOM 0 H VAL A 56 0.316 -1.097 -11.834 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.195 -2.778 -13.731 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.716 -4.175 -11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.462 -5.319 -11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.024 -4.873 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.208 -3.914 -12.449 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.245 -3.940 -9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.471 -2.478 -10.445 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.246 -2.491 -9.979 1.00 0.00 H new ATOM 808 N THR A 57 -3.463 -2.067 -12.891 1.00 0.00 N ATOM 809 CA THR A 57 -4.750 -1.466 -12.565 1.00 0.00 C ATOM 810 C THR A 57 -5.164 -1.795 -11.136 1.00 0.00 C ATOM 811 O THR A 57 -4.720 -2.790 -10.563 1.00 0.00 O ATOM 812 CB THR A 57 -5.853 -1.943 -13.530 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.359 -1.950 -14.874 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.077 -1.045 -13.439 1.00 0.00 C ATOM 0 H THR A 57 -3.504 -2.783 -13.616 1.00 0.00 H new ATOM 0 HA THR A 57 -4.630 -0.387 -12.666 1.00 0.00 H new ATOM 0 HB THR A 57 -6.142 -2.954 -13.245 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.065 -2.256 -15.481 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.842 -1.401 -14.129 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.468 -1.065 -12.422 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.799 -0.024 -13.701 1.00 0.00 H new ATOM 822 N VAL A 58 -6.019 -0.953 -10.563 1.00 0.00 N ATOM 823 CA VAL A 58 -6.495 -1.156 -9.200 1.00 0.00 C ATOM 824 C VAL A 58 -8.016 -1.251 -9.157 1.00 0.00 C ATOM 825 O VAL A 58 -8.716 -0.466 -9.798 1.00 0.00 O ATOM 826 CB VAL A 58 -6.037 -0.016 -8.271 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.606 -0.205 -6.873 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.518 0.059 -8.231 1.00 0.00 C ATOM 0 H VAL A 58 -6.396 -0.124 -11.022 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.065 -2.095 -8.851 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.415 0.927 -8.667 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.272 0.610 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.695 -0.206 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.260 -1.154 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.211 0.870 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.117 -0.884 -7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.136 0.245 -9.235 1.00 0.00 H new ATOM 838 N CYS A 59 -8.522 -2.217 -8.398 1.00 0.00 N ATOM 839 CA CYS A 59 -9.960 -2.416 -8.270 1.00 0.00 C ATOM 840 C CYS A 59 -10.585 -1.328 -7.402 1.00 0.00 C ATOM 841 O CYS A 59 -10.164 -1.107 -6.266 1.00 0.00 O ATOM 842 CB CYS A 59 -10.255 -3.793 -7.672 1.00 0.00 C ATOM 843 SG CYS A 59 -11.998 -4.305 -7.808 1.00 0.00 S ATOM 0 H CYS A 59 -7.956 -2.875 -7.862 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.399 -2.358 -9.266 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.630 -4.535 -8.169 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.970 -3.789 -6.620 1.00 0.00 H new ATOM 848 N MET A 60 -11.592 -0.651 -7.944 1.00 0.00 N ATOM 849 CA MET A 60 -12.276 0.413 -7.218 1.00 0.00 C ATOM 850 C MET A 60 -13.180 -0.163 -6.133 1.00 0.00 C ATOM 851 O MET A 60 -13.112 0.245 -4.973 1.00 0.00 O ATOM 852 CB MET A 60 -13.099 1.270 -8.182 1.00 0.00 C ATOM 853 CG MET A 60 -13.338 2.686 -7.683 1.00 0.00 C ATOM 854 SD MET A 60 -12.016 3.819 -8.150 1.00 0.00 S ATOM 855 CE MET A 60 -10.910 3.643 -6.752 1.00 0.00 C ATOM 0 H MET A 60 -11.952 -0.820 -8.883 1.00 0.00 H new ATOM 0 HA MET A 60 -11.520 1.038 -6.742 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.588 1.314 -9.144 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.061 0.787 -8.354 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.284 3.053 -8.082 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.434 2.673 -6.597 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.257 4.514 -6.692 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.493 3.563 -5.835 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.306 2.745 -6.877 1.00 0.00 H new ATOM 865 N ASP A 61 -14.026 -1.113 -6.516 1.00 0.00 N ATOM 866 CA ASP A 61 -14.943 -1.746 -5.576 1.00 0.00 C ATOM 867 C ASP A 61 -14.197 -2.246 -4.343 1.00 0.00 C ATOM 868 O ASP A 61 -14.464 -1.809 -3.223 1.00 0.00 O ATOM 869 CB ASP A 61 -15.677 -2.907 -6.249 1.00 0.00 C ATOM 870 CG ASP A 61 -17.066 -3.120 -5.681 1.00 0.00 C ATOM 871 OD1 ASP A 61 -17.563 -2.217 -4.976 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.656 -4.190 -5.941 1.00 0.00 O ATOM 0 H ASP A 61 -14.096 -1.462 -7.472 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.672 -1.000 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.751 -2.715 -7.319 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.094 -3.820 -6.129 1.00 0.00 H new ATOM 877 N TYR A 62 -13.262 -3.165 -4.556 1.00 0.00 N ATOM 878 CA TYR A 62 -12.480 -3.728 -3.462 1.00 0.00 C ATOM 879 C TYR A 62 -12.007 -2.633 -2.511 1.00 0.00 C ATOM 880 O TYR A 62 -12.175 -2.736 -1.295 1.00 0.00 O ATOM 881 CB TYR A 62 -11.276 -4.497 -4.010 1.00 0.00 C ATOM 882 CG TYR A 62 -10.339 -5.001 -2.936 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.797 -5.834 -1.922 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.996 -4.645 -2.935 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.944 -6.296 -0.938 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.136 -5.104 -1.956 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.615 -5.929 -0.959 1.00 0.00 C ATOM 888 OH TYR A 62 -7.762 -6.388 0.018 1.00 0.00 O ATOM 0 H TYR A 62 -13.027 -3.536 -5.477 1.00 0.00 H new ATOM 0 HA TYR A 62 -13.120 -4.415 -2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.633 -5.344 -4.596 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.721 -3.850 -4.690 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.837 -6.125 -1.903 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.618 -3.998 -3.713 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.316 -6.941 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.094 -4.819 -1.971 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.857 -6.468 -0.349 1.00 0.00 H new ATOM 898 N ILE A 63 -11.416 -1.584 -3.073 1.00 0.00 N ATOM 899 CA ILE A 63 -10.920 -0.469 -2.277 1.00 0.00 C ATOM 900 C ILE A 63 -11.965 -0.007 -1.267 1.00 0.00 C ATOM 901 O ILE A 63 -11.648 0.270 -0.110 1.00 0.00 O ATOM 902 CB ILE A 63 -10.519 0.723 -3.166 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.232 0.408 -3.930 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.347 1.978 -2.323 1.00 0.00 C ATOM 905 CD1 ILE A 63 -7.984 0.511 -3.081 1.00 0.00 C ATOM 0 H ILE A 63 -11.269 -1.483 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.039 -0.828 -1.746 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.314 0.901 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.300 -0.599 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.144 1.091 -4.775 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.064 2.812 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.286 2.210 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.568 1.812 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.110 0.274 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.891 1.525 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.050 -0.192 -2.251 1.00 0.00 H new ATOM 917 N LYS A 64 -13.215 0.072 -1.712 1.00 0.00 N ATOM 918 CA LYS A 64 -14.310 0.497 -0.848 1.00 0.00 C ATOM 919 C LYS A 64 -14.530 -0.503 0.283 1.00 0.00 C ATOM 920 O LYS A 64 -15.038 -0.150 1.346 1.00 0.00 O ATOM 921 CB LYS A 64 -15.597 0.656 -1.661 1.00 0.00 C ATOM 922 CG LYS A 64 -15.717 2.003 -2.352 1.00 0.00 C ATOM 923 CD LYS A 64 -17.069 2.166 -3.025 1.00 0.00 C ATOM 924 CE LYS A 64 -18.153 2.523 -2.020 1.00 0.00 C ATOM 925 NZ LYS A 64 -19.358 3.094 -2.682 1.00 0.00 N ATOM 0 H LYS A 64 -13.495 -0.153 -2.667 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.043 1.459 -0.411 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.643 -0.133 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.453 0.518 -1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.574 2.801 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.925 2.104 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.006 2.944 -3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.336 1.241 -3.536 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.435 1.632 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.759 3.241 -1.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.073 3.324 -1.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.094 3.958 -3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.749 2.399 -3.349 1.00 0.00 H new ATOM 939 N GLY A 65 -14.143 -1.752 0.045 1.00 0.00 N ATOM 940 CA GLY A 65 -14.306 -2.783 1.054 1.00 0.00 C ATOM 941 C GLY A 65 -15.129 -3.955 0.557 1.00 0.00 C ATOM 942 O GLY A 65 -15.024 -5.063 1.083 1.00 0.00 O ATOM 0 H GLY A 65 -13.720 -2.069 -0.827 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.325 -3.139 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.785 -2.354 1.934 1.00 0.00 H new ATOM 946 N ARG A 66 -15.951 -3.711 -0.459 1.00 0.00 N ATOM 947 CA ARG A 66 -16.797 -4.755 -1.024 1.00 0.00 C ATOM 948 C ARG A 66 -16.611 -4.846 -2.536 1.00 0.00 C ATOM 949 O ARG A 66 -17.076 -3.984 -3.283 1.00 0.00 O ATOM 950 CB ARG A 66 -18.267 -4.482 -0.697 1.00 0.00 C ATOM 951 CG ARG A 66 -18.771 -3.149 -1.223 1.00 0.00 C ATOM 952 CD ARG A 66 -20.023 -2.697 -0.487 1.00 0.00 C ATOM 953 NE ARG A 66 -21.238 -3.238 -1.089 1.00 0.00 N ATOM 954 CZ ARG A 66 -21.836 -2.701 -2.147 1.00 0.00 C ATOM 955 NH1 ARG A 66 -21.333 -1.614 -2.716 1.00 0.00 N ATOM 956 NH2 ARG A 66 -22.939 -3.251 -2.638 1.00 0.00 N ATOM 0 H ARG A 66 -16.049 -2.800 -0.907 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.503 -5.706 -0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.878 -5.282 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.401 -4.510 0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.991 -2.395 -1.114 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.985 -3.234 -2.288 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.964 -3.011 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.071 -1.608 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.650 -4.074 -0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.485 -1.188 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.794 -1.204 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -23.329 -4.087 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.397 -2.838 -3.450 1.00 0.00 H new ATOM 970 N CYS A 67 -15.927 -5.895 -2.980 1.00 0.00 N ATOM 971 CA CYS A 67 -15.677 -6.100 -4.402 1.00 0.00 C ATOM 972 C CYS A 67 -16.487 -7.279 -4.932 1.00 0.00 C ATOM 973 O CYS A 67 -16.110 -8.436 -4.750 1.00 0.00 O ATOM 974 CB CYS A 67 -14.187 -6.338 -4.650 1.00 0.00 C ATOM 975 SG CYS A 67 -13.826 -7.263 -6.177 1.00 0.00 S ATOM 0 H CYS A 67 -15.536 -6.617 -2.375 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.988 -5.200 -4.933 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.678 -5.375 -4.692 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.771 -6.881 -3.802 1.00 0.00 H new ATOM 980 N MET A 68 -17.602 -6.977 -5.589 1.00 0.00 N ATOM 981 CA MET A 68 -18.464 -8.012 -6.148 1.00 0.00 C ATOM 982 C MET A 68 -18.476 -7.947 -7.671 1.00 0.00 C ATOM 983 O MET A 68 -19.359 -8.508 -8.319 1.00 0.00 O ATOM 984 CB MET A 68 -19.888 -7.865 -5.609 1.00 0.00 C ATOM 985 CG MET A 68 -20.676 -9.165 -5.608 1.00 0.00 C ATOM 986 SD MET A 68 -20.323 -10.191 -4.168 1.00 0.00 S ATOM 987 CE MET A 68 -19.787 -11.708 -4.955 1.00 0.00 C ATOM 0 H MET A 68 -17.930 -6.024 -5.747 1.00 0.00 H new ATOM 0 HA MET A 68 -18.067 -8.981 -5.847 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.844 -7.476 -4.592 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.421 -7.128 -6.210 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.742 -8.939 -5.636 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.445 -9.726 -6.514 1.00 0.00 H new ATOM 0 HE1 MET A 68 -19.533 -12.444 -4.192 1.00 0.00 H new ATOM 0 HE2 MET A 68 -20.590 -12.097 -5.580 1.00 0.00 H new ATOM 0 HE3 MET A 68 -18.911 -11.508 -5.572 1.00 0.00 H new ATOM 997 N ARG A 69 -17.489 -7.259 -8.237 1.00 0.00 N ATOM 998 CA ARG A 69 -17.387 -7.120 -9.685 1.00 0.00 C ATOM 999 C ARG A 69 -17.410 -8.485 -10.365 1.00 0.00 C ATOM 1000 O ARG A 69 -16.399 -9.185 -10.407 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.105 -6.374 -10.058 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.212 -4.865 -9.908 1.00 0.00 C ATOM 1003 CD ARG A 69 -14.843 -4.222 -9.750 1.00 0.00 C ATOM 1004 NE ARG A 69 -14.916 -2.764 -9.784 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.074 -2.062 -10.900 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -15.176 -2.682 -12.068 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.131 -0.737 -10.850 1.00 0.00 N ATOM 0 H ARG A 69 -16.749 -6.789 -7.715 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.247 -6.546 -10.031 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.289 -6.736 -9.432 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.844 -6.610 -11.090 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.713 -4.446 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.829 -4.627 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.399 -4.541 -8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.185 -4.571 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.842 -2.257 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.133 -3.700 -12.110 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.297 -2.141 -12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.053 -0.257 -9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.252 -0.199 -11.708 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.571 -8.856 -10.897 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.725 -10.138 -11.574 1.00 0.00 C ATOM 1023 C GLU A 70 -17.444 -10.524 -12.308 1.00 0.00 C ATOM 1024 O GLU A 70 -17.001 -9.821 -13.217 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.894 -10.082 -12.560 1.00 0.00 C ATOM 1026 CG GLU A 70 -21.218 -10.526 -11.960 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.688 -9.614 -10.844 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -21.105 -9.678 -9.741 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -22.638 -8.837 -11.072 1.00 0.00 O ATOM 0 H GLU A 70 -19.417 -8.287 -10.872 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.932 -10.896 -10.818 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.997 -9.062 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.664 -10.712 -13.419 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -21.976 -10.556 -12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.116 -11.541 -11.576 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.854 -11.644 -11.908 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.624 -12.125 -12.526 1.00 0.00 C ATOM 1038 C LYS A 71 -14.546 -11.046 -12.506 1.00 0.00 C ATOM 1039 O LYS A 71 -13.984 -10.696 -13.544 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.892 -12.565 -13.967 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.775 -13.797 -14.073 1.00 0.00 C ATOM 1042 CD LYS A 71 -17.461 -13.878 -15.426 1.00 0.00 C ATOM 1043 CE LYS A 71 -16.507 -14.362 -16.507 1.00 0.00 C ATOM 1044 NZ LYS A 71 -17.224 -14.705 -17.766 1.00 0.00 N ATOM 0 H LYS A 71 -17.208 -12.237 -11.157 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.268 -12.980 -11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.363 -11.744 -14.507 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.941 -12.767 -14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.173 -14.692 -13.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.527 -13.776 -13.284 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.314 -14.554 -15.363 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.851 -12.897 -15.696 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.766 -13.589 -16.710 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.965 -15.237 -16.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.539 -15.031 -18.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.914 -15.460 -17.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.721 -13.864 -18.123 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.262 -10.523 -11.318 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.251 -9.484 -11.161 1.00 0.00 C ATOM 1060 C CYS A 72 -11.871 -10.006 -11.549 1.00 0.00 C ATOM 1061 O CYS A 72 -11.449 -11.072 -11.101 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.230 -8.977 -9.718 1.00 0.00 C ATOM 1063 SG CYS A 72 -12.108 -7.570 -9.440 1.00 0.00 S ATOM 0 H CYS A 72 -14.718 -10.802 -10.449 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.508 -8.658 -11.825 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.240 -8.684 -9.433 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -12.938 -9.796 -9.061 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.171 -9.247 -12.385 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.837 -9.630 -12.833 1.00 0.00 C ATOM 1070 C LYS A 73 -8.838 -8.503 -12.591 1.00 0.00 C ATOM 1071 O LYS A 73 -7.783 -8.450 -13.224 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.861 -9.994 -14.319 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.594 -8.982 -15.182 1.00 0.00 C ATOM 1074 CD LYS A 73 -9.654 -7.905 -15.698 1.00 0.00 C ATOM 1075 CE LYS A 73 -8.829 -8.402 -16.875 1.00 0.00 C ATOM 1076 NZ LYS A 73 -9.584 -8.315 -18.156 1.00 0.00 N ATOM 0 H LYS A 73 -11.506 -8.362 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.523 -10.500 -12.257 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.836 -10.090 -14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.333 -10.969 -14.438 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.062 -9.492 -16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.395 -8.521 -14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.231 -7.031 -16.000 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.989 -7.586 -14.895 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.914 -7.814 -16.952 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.530 -9.435 -16.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.988 -8.663 -18.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.444 -8.896 -18.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.847 -7.325 -18.337 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.175 -7.606 -11.671 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.307 -6.480 -11.347 1.00 0.00 C ATOM 1092 C TYR A 74 -7.397 -6.815 -10.169 1.00 0.00 C ATOM 1093 O TYR A 74 -7.746 -7.628 -9.312 1.00 0.00 O ATOM 1094 CB TYR A 74 -9.144 -5.241 -11.023 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.805 -4.623 -12.234 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.564 -5.396 -13.106 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.670 -3.268 -12.509 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.169 -4.836 -14.214 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.273 -2.699 -13.614 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.021 -3.487 -14.464 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.622 -2.925 -15.566 1.00 0.00 O ATOM 0 H TYR A 74 -10.043 -7.637 -11.136 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.684 -6.272 -12.217 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.912 -5.511 -10.299 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.506 -4.496 -10.548 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.682 -6.452 -12.913 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.083 -2.648 -11.847 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.755 -5.451 -14.881 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.159 -1.643 -13.811 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.420 -1.967 -15.596 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.229 -6.183 -10.134 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.267 -6.413 -9.062 1.00 0.00 C ATOM 1113 C PHE A 75 -5.768 -5.825 -7.746 1.00 0.00 C ATOM 1114 O PHE A 75 -6.210 -4.676 -7.695 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.912 -5.802 -9.424 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.944 -5.768 -8.277 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.922 -4.692 -7.403 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.056 -6.812 -8.070 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -2.031 -4.658 -6.347 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.164 -6.783 -7.015 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.152 -5.705 -6.152 1.00 0.00 C ATOM 0 H PHE A 75 -5.925 -5.508 -10.835 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.150 -7.490 -8.937 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.473 -6.372 -10.243 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.066 -4.787 -9.789 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.609 -3.871 -7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.061 -7.658 -8.741 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.022 -3.813 -5.675 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.477 -7.603 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.456 -5.681 -5.326 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.696 -6.620 -6.684 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.142 -6.179 -5.367 1.00 0.00 C ATOM 1133 C HIS A 76 -4.950 -5.883 -4.461 1.00 0.00 C ATOM 1134 O HIS A 76 -4.268 -6.787 -3.978 1.00 0.00 O ATOM 1135 CB HIS A 76 -7.035 -7.241 -4.725 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.418 -7.286 -5.296 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.495 -7.821 -4.621 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.899 -6.856 -6.487 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.577 -7.721 -5.372 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.242 -7.138 -6.509 1.00 0.00 N ATOM 0 H HIS A 76 -5.333 -7.573 -6.709 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.716 -5.261 -5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.568 -8.218 -4.847 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.099 -7.050 -3.654 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.461 -8.230 -3.687 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.331 -6.380 -7.273 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.567 -8.058 -5.102 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.693 -4.588 -4.224 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.583 -4.144 -3.375 1.00 0.00 C ATOM 1150 C PRO A 77 -3.814 -4.468 -1.903 1.00 0.00 C ATOM 1151 O PRO A 77 -4.918 -4.819 -1.486 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.556 -2.629 -3.591 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.947 -2.278 -3.992 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.465 -3.458 -4.767 1.00 0.00 C ATOM 0 HA PRO A 77 -2.648 -4.642 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.262 -2.105 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.839 -2.352 -4.364 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.568 -2.083 -3.118 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.961 -1.374 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.536 -3.596 -4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.302 -3.338 -5.838 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.749 -4.348 -1.096 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.812 -4.623 0.342 1.00 0.00 C ATOM 1164 C PRO A 78 -3.625 -3.577 1.098 1.00 0.00 C ATOM 1165 O PRO A 78 -4.153 -2.639 0.502 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.345 -4.575 0.776 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.681 -3.698 -0.228 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.403 -3.934 -1.526 1.00 0.00 C ATOM 0 HA PRO A 78 -3.304 -5.572 0.554 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.243 -4.171 1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.902 -5.571 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.742 -2.651 0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.377 -3.942 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.436 -3.032 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.916 -4.706 -2.122 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.721 -3.745 2.412 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.468 -2.815 3.249 1.00 0.00 C ATOM 1178 C ALA A 79 -3.782 -1.454 3.303 1.00 0.00 C ATOM 1179 O ALA A 79 -4.360 -0.440 2.909 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.633 -3.381 4.651 1.00 0.00 C ATOM 0 H ALA A 79 -3.290 -4.517 2.920 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.455 -2.679 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.193 -2.675 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.173 -4.326 4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.651 -3.548 5.094 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.547 -1.438 3.795 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.783 -0.200 3.901 1.00 0.00 C ATOM 1188 C HIS A 80 -1.950 0.651 2.646 1.00 0.00 C ATOM 1189 O HIS A 80 -2.074 1.874 2.724 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.303 -0.508 4.130 1.00 0.00 C ATOM 1191 CG HIS A 80 0.306 -1.353 3.054 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.246 -2.731 3.054 1.00 0.00 N ATOM 1193 CD2 HIS A 80 0.989 -1.009 1.937 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.867 -3.197 1.986 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.327 -2.172 1.291 1.00 0.00 N ATOM 0 H HIS A 80 -2.054 -2.268 4.126 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.165 0.362 4.753 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.248 0.430 4.200 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.190 -1.016 5.088 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.224 -0.006 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.980 -4.239 1.725 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.848 -2.235 0.417 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.950 -0.003 1.490 1.00 0.00 N ATOM 1204 CA LEU A 81 -2.101 0.693 0.217 1.00 0.00 C ATOM 1205 C LEU A 81 -3.557 1.078 -0.024 1.00 0.00 C ATOM 1206 O LEU A 81 -3.858 2.223 -0.361 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.597 -0.185 -0.930 1.00 0.00 C ATOM 1208 CG LEU A 81 -0.088 -0.167 -1.176 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.296 -1.212 -2.212 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.364 1.217 -1.619 1.00 0.00 C ATOM 0 H LEU A 81 -1.847 -1.014 1.408 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.505 1.605 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.901 -1.213 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.098 0.126 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 81 0.416 -0.410 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.374 -1.185 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.008 -2.201 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.218 -1.000 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.441 1.211 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.148 1.489 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.124 1.944 -0.843 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.455 0.115 0.152 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.880 0.354 -0.045 1.00 0.00 C ATOM 1224 C GLN A 82 -6.276 1.735 0.468 1.00 0.00 C ATOM 1225 O GLN A 82 -7.163 2.383 -0.086 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.703 -0.723 0.664 1.00 0.00 C ATOM 1227 CG GLN A 82 -7.012 -1.927 -0.210 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.676 -3.052 0.559 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.885 -3.032 0.789 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.887 -4.041 0.961 1.00 0.00 N ATOM 0 H GLN A 82 -4.222 -0.838 0.431 1.00 0.00 H new ATOM 0 HA GLN A 82 -6.085 0.311 -1.115 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.163 -1.057 1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.640 -0.285 1.008 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.662 -1.619 -1.029 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.088 -2.294 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.890 -4.017 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.278 -4.825 1.483 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.614 2.177 1.532 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.896 3.481 2.119 1.00 0.00 C ATOM 1241 C ALA A 83 -5.259 4.601 1.303 1.00 0.00 C ATOM 1242 O ALA A 83 -5.858 5.658 1.106 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.403 3.529 3.558 1.00 0.00 C ATOM 0 H ALA A 83 -4.879 1.651 2.005 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.976 3.630 2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.620 4.508 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.908 2.759 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.327 3.354 3.580 1.00 0.00 H new ATOM 1249 N LYS A 84 -4.040 4.362 0.830 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.321 5.350 0.033 1.00 0.00 C ATOM 1251 C LYS A 84 -4.199 5.883 -1.095 1.00 0.00 C ATOM 1252 O LYS A 84 -4.159 7.071 -1.417 1.00 0.00 O ATOM 1253 CB LYS A 84 -2.045 4.736 -0.546 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.815 4.964 0.316 1.00 0.00 C ATOM 1255 CD LYS A 84 -0.838 4.094 1.561 1.00 0.00 C ATOM 1256 CE LYS A 84 0.215 4.532 2.567 1.00 0.00 C ATOM 1257 NZ LYS A 84 1.596 4.288 2.066 1.00 0.00 N ATOM 0 H LYS A 84 -3.529 3.493 0.985 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.054 6.182 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.194 3.664 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.867 5.155 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.082 4.747 -0.264 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.762 6.014 0.605 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.825 4.142 2.021 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.666 3.054 1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.090 5.593 2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.068 3.994 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.285 4.600 2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.724 3.273 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.745 4.821 1.186 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.992 4.998 -1.689 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.882 5.381 -2.779 1.00 0.00 C ATOM 1273 C ILE A 85 -7.075 6.177 -2.261 1.00 0.00 C ATOM 1274 O ILE A 85 -7.353 7.279 -2.733 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.395 4.149 -3.547 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.237 3.446 -4.259 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.469 4.556 -4.545 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.538 2.414 -3.401 1.00 0.00 C ATOM 0 H ILE A 85 -5.037 4.011 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.299 6.004 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.835 3.452 -2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.615 2.962 -5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.511 4.193 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.822 3.674 -5.080 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.303 5.016 -4.015 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.053 5.270 -5.256 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.729 1.956 -3.970 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.130 2.896 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.251 1.646 -3.102 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.777 5.611 -1.284 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.939 6.268 -0.698 1.00 0.00 C ATOM 1292 C LYS A 86 -8.574 7.652 -0.171 1.00 0.00 C ATOM 1293 O LYS A 86 -9.145 8.657 -0.593 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.515 5.415 0.435 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.569 4.423 -0.026 1.00 0.00 C ATOM 1296 CD LYS A 86 -11.318 3.820 1.150 1.00 0.00 C ATOM 1297 CE LYS A 86 -12.555 3.061 0.693 1.00 0.00 C ATOM 1298 NZ LYS A 86 -13.717 3.969 0.486 1.00 0.00 N ATOM 0 H LYS A 86 -7.561 4.699 -0.882 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.692 6.383 -1.478 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.703 4.871 0.918 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.951 6.072 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.274 4.922 -0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.095 3.629 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.658 3.147 1.697 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.610 4.611 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.336 2.534 -0.236 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.812 2.305 1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.470 3.730 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.419 4.954 0.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.076 3.858 -0.484 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.619 7.696 0.751 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.176 8.957 1.332 1.00 0.00 C ATOM 1314 C ALA A 87 -7.040 10.036 0.264 1.00 0.00 C ATOM 1315 O ALA A 87 -7.309 11.210 0.515 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.855 8.767 2.064 1.00 0.00 C ATOM 0 H ALA A 87 -7.137 6.873 1.112 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.931 9.283 2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.537 9.717 2.493 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.983 8.034 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.098 8.413 1.364 1.00 0.00 H new ATOM 1322 N ALA A 88 -6.619 9.631 -0.930 1.00 0.00 N ATOM 1323 CA ALA A 88 -6.448 10.563 -2.037 1.00 0.00 C ATOM 1324 C ALA A 88 -7.797 10.999 -2.601 1.00 0.00 C ATOM 1325 O ALA A 88 -8.018 12.181 -2.859 1.00 0.00 O ATOM 1326 CB ALA A 88 -5.596 9.935 -3.130 1.00 0.00 C ATOM 0 H ALA A 88 -6.390 8.663 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.938 11.449 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.477 10.643 -3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.616 9.679 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.084 9.032 -3.498 1.00 0.00 H new ATOM 1332 N GLN A 89 -8.693 10.036 -2.789 1.00 0.00 N ATOM 1333 CA GLN A 89 -10.019 10.321 -3.324 1.00 0.00 C ATOM 1334 C GLN A 89 -10.815 11.200 -2.365 1.00 0.00 C ATOM 1335 O GLN A 89 -11.257 12.291 -2.727 1.00 0.00 O ATOM 1336 CB GLN A 89 -10.776 9.019 -3.590 1.00 0.00 C ATOM 1337 CG GLN A 89 -10.016 8.042 -4.471 1.00 0.00 C ATOM 1338 CD GLN A 89 -9.810 8.565 -5.879 1.00 0.00 C ATOM 1339 OE1 GLN A 89 -10.665 8.392 -6.749 1.00 0.00 O ATOM 1340 NE2 GLN A 89 -8.672 9.208 -6.112 1.00 0.00 N ATOM 0 H GLN A 89 -8.525 9.052 -2.579 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.896 10.859 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.000 8.538 -2.638 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -11.731 9.253 -4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.046 7.831 -4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.560 7.098 -4.514 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.992 9.329 -5.362 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -8.478 9.581 -7.041 1.00 0.00 H new ATOM 1349 N HIS A 90 -10.995 10.717 -1.139 1.00 0.00 N ATOM 1350 CA HIS A 90 -11.739 11.459 -0.127 1.00 0.00 C ATOM 1351 C HIS A 90 -11.015 12.751 0.240 1.00 0.00 C ATOM 1352 O HIS A 90 -11.588 13.838 0.161 1.00 0.00 O ATOM 1353 CB HIS A 90 -11.938 10.600 1.122 1.00 0.00 C ATOM 1354 CG HIS A 90 -12.794 9.393 0.889 1.00 0.00 C ATOM 1355 ND1 HIS A 90 -14.155 9.383 1.107 1.00 0.00 N ATOM 1356 CD2 HIS A 90 -12.475 8.153 0.451 1.00 0.00 C ATOM 1357 CE1 HIS A 90 -14.636 8.187 0.816 1.00 0.00 C ATOM 1358 NE2 HIS A 90 -13.637 7.422 0.415 1.00 0.00 N ATOM 0 H HIS A 90 -10.636 9.816 -0.823 1.00 0.00 H new ATOM 0 HA HIS A 90 -12.714 11.714 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -10.964 10.279 1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.390 11.210 1.904 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -14.705 10.175 1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.490 7.803 0.180 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.670 7.886 0.893 1.00 0.00 H new ATOM 1366 N GLN A 91 -9.755 12.624 0.642 1.00 0.00 N ATOM 1367 CA GLN A 91 -8.955 13.782 1.023 1.00 0.00 C ATOM 1368 C GLN A 91 -7.955 14.138 -0.073 1.00 0.00 C ATOM 1369 O GLN A 91 -6.893 13.526 -0.180 1.00 0.00 O ATOM 1370 CB GLN A 91 -8.216 13.510 2.334 1.00 0.00 C ATOM 1371 CG GLN A 91 -9.141 13.294 3.520 1.00 0.00 C ATOM 1372 CD GLN A 91 -9.843 14.566 3.952 1.00 0.00 C ATOM 1373 OE1 GLN A 91 -11.071 14.652 3.922 1.00 0.00 O ATOM 1374 NE2 GLN A 91 -9.066 15.563 4.358 1.00 0.00 N ATOM 0 H GLN A 91 -9.266 11.732 0.712 1.00 0.00 H new ATOM 0 HA GLN A 91 -9.630 14.627 1.163 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -7.586 12.629 2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -7.553 14.348 2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -9.887 12.542 3.262 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.566 12.899 4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.052 15.449 4.367 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.483 16.443 4.661 1.00 0.00 H new ATOM 1383 N ALA A 92 -8.304 15.129 -0.886 1.00 0.00 N ATOM 1384 CA ALA A 92 -7.437 15.567 -1.973 1.00 0.00 C ATOM 1385 C ALA A 92 -6.799 16.916 -1.658 1.00 0.00 C ATOM 1386 O ALA A 92 -5.603 17.112 -1.869 1.00 0.00 O ATOM 1387 CB ALA A 92 -8.220 15.643 -3.275 1.00 0.00 C ATOM 0 H ALA A 92 -9.181 15.644 -0.813 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.638 14.834 -2.084 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.560 15.971 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.622 14.659 -3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.040 16.353 -3.166 1.00 0.00 H new ATOM 1393 N ASN A 93 -7.606 17.843 -1.151 1.00 0.00 N ATOM 1394 CA ASN A 93 -7.119 19.174 -0.808 1.00 0.00 C ATOM 1395 C ASN A 93 -6.774 19.968 -2.064 1.00 0.00 C ATOM 1396 O ASN A 93 -5.743 20.638 -2.122 1.00 0.00 O ATOM 1397 CB ASN A 93 -5.891 19.073 0.099 1.00 0.00 C ATOM 1398 CG ASN A 93 -6.051 18.015 1.173 1.00 0.00 C ATOM 1399 OD1 ASN A 93 -6.977 18.071 1.983 1.00 0.00 O ATOM 1400 ND2 ASN A 93 -5.147 17.042 1.184 1.00 0.00 N ATOM 0 H ASN A 93 -8.599 17.697 -0.969 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.913 19.698 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -5.014 18.843 -0.506 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.709 20.040 0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.203 16.301 1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.396 17.035 0.493 1.00 0.00 H new ATOM 1407 N GLN A 94 -7.643 19.887 -3.066 1.00 0.00 N ATOM 1408 CA GLN A 94 -7.429 20.598 -4.322 1.00 0.00 C ATOM 1409 C GLN A 94 -6.037 20.314 -4.877 1.00 0.00 C ATOM 1410 O GLN A 94 -5.367 21.212 -5.387 1.00 0.00 O ATOM 1411 CB GLN A 94 -7.613 22.102 -4.118 1.00 0.00 C ATOM 1412 CG GLN A 94 -7.994 22.846 -5.388 1.00 0.00 C ATOM 1413 CD GLN A 94 -9.151 22.196 -6.120 1.00 0.00 C ATOM 1414 OE1 GLN A 94 -10.249 22.065 -5.578 1.00 0.00 O ATOM 1415 NE2 GLN A 94 -8.912 21.785 -7.360 1.00 0.00 N ATOM 0 H GLN A 94 -8.501 19.337 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 94 -8.167 20.244 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -8.384 22.267 -3.365 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.688 22.523 -3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.259 23.873 -5.137 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.130 22.892 -6.051 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.987 21.913 -7.770 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.653 21.341 -7.902 1.00 0.00 H new ATOM 1424 N ALA A 95 -5.609 19.061 -4.775 1.00 0.00 N ATOM 1425 CA ALA A 95 -4.298 18.659 -5.269 1.00 0.00 C ATOM 1426 C ALA A 95 -3.916 19.447 -6.518 1.00 0.00 C ATOM 1427 O ALA A 95 -4.502 19.259 -7.584 1.00 0.00 O ATOM 1428 CB ALA A 95 -4.277 17.165 -5.558 1.00 0.00 C ATOM 0 H ALA A 95 -6.151 18.306 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 95 -3.563 18.878 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.292 16.879 -5.926 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.496 16.614 -4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.028 16.930 -6.312 1.00 0.00 H new ATOM 1434 N ALA A 96 -2.932 20.329 -6.378 1.00 0.00 N ATOM 1435 CA ALA A 96 -2.473 21.144 -7.496 1.00 0.00 C ATOM 1436 C ALA A 96 -1.189 20.580 -8.096 1.00 0.00 C ATOM 1437 O ALA A 96 -0.628 19.610 -7.586 1.00 0.00 O ATOM 1438 CB ALA A 96 -2.261 22.583 -7.048 1.00 0.00 C ATOM 0 H ALA A 96 -2.438 20.497 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.243 21.125 -8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.918 23.180 -7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.200 22.990 -6.673 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.512 22.611 -6.256 1.00 0.00 H new ATOM 1444 N VAL A 97 -0.729 21.194 -9.181 1.00 0.00 N ATOM 1445 CA VAL A 97 0.489 20.753 -9.850 1.00 0.00 C ATOM 1446 C VAL A 97 1.652 20.660 -8.869 1.00 0.00 C ATOM 1447 O VAL A 97 1.843 21.542 -8.032 1.00 0.00 O ATOM 1448 CB VAL A 97 0.875 21.704 -10.998 1.00 0.00 C ATOM 1449 CG1 VAL A 97 0.869 23.148 -10.520 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.235 21.328 -11.567 1.00 0.00 C ATOM 0 H VAL A 97 -1.181 21.998 -9.616 1.00 0.00 H new ATOM 0 HA VAL A 97 0.284 19.764 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 97 0.135 21.606 -11.792 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.144 23.805 -11.345 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.128 23.409 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.586 23.265 -9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.492 22.010 -12.377 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.989 21.396 -10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.200 20.308 -11.949 1.00 0.00 H new ATOM 1460 N ALA A 98 2.428 19.587 -8.978 1.00 0.00 N ATOM 1461 CA ALA A 98 3.575 19.380 -8.102 1.00 0.00 C ATOM 1462 C ALA A 98 3.195 19.596 -6.641 1.00 0.00 C ATOM 1463 O ALA A 98 4.047 20.001 -5.852 1.00 0.00 O ATOM 1464 CB ALA A 98 4.714 20.308 -8.496 1.00 0.00 C ATOM 0 H ALA A 98 2.283 18.847 -9.665 1.00 0.00 H new ATOM 0 HA ALA A 98 3.907 18.348 -8.215 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.564 20.143 -7.834 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.011 20.104 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.385 21.344 -8.412 1.00 0.00 H new TER 1470 ALA A 98 HETATM 1471 ZN ZN A 201 9.273 -3.640 -4.016 1.00 0.00 ZN HETATM 1472 ZN ZN A 401 -12.011 -6.619 -7.403 1.00 0.00 ZN