USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 SER OG : rot 180:sc= 0.101 USER MOD Set 1.2: A 23 HIS : no HD1:sc= -3.94 K(o=-5,f=-9!) USER MOD Set 1.3: A 55 SER OG : rot -60:sc= -1.19 USER MOD Set 2.1: A 5 CYS SG : rot -124:sc= -1.58 USER MOD Set 2.2: A 10 CYS SG : rot 50:sc= 0.0255 USER MOD Set 2.3: A 12 ASN : amide:sc= -8.8! C(o=-14!,f=-16!) USER MOD Set 2.4: A 54 CYS SG : rot -65:sc= -2.12 USER MOD Set 2.5: A 57 HIS : no HD1:sc= -1.71 K(o=-14,f=-19!) USER MOD Set 3.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 50 TYR OH : rot 150:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.0011) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 6 SER OG : rot 156:sc= -3.14! USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -154:sc= -0.387 (180deg=-1.18!) USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= -0.244 (180deg=-1.01) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0928 USER MOD Single : A 31 SER OG : rot 180:sc= -0.55 USER MOD Single : A 33 CYS SG : rot 127:sc= 0.0598 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0782 K(o=-0.078,f=-2!) USER MOD Single : A 46 LYS NZ :NH3+ 147:sc= -0.235 (180deg=-0.664) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= -1.69 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.995 USER MOD Single : A 62 CYS SG : rot 37:sc= -0.796 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= -1.6 (180deg=-1.97) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 THR OG1 : rot 170:sc= -0.256 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.772 9.755 10.053 1.00 0.00 N ATOM 21 CA VAL A 2 -9.615 8.782 11.128 1.00 0.00 C ATOM 22 C VAL A 2 -8.352 7.942 10.940 1.00 0.00 C ATOM 23 O VAL A 2 -8.213 6.872 11.533 1.00 0.00 O ATOM 24 CB VAL A 2 -10.844 7.850 11.235 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.764 6.999 12.493 1.00 0.00 C ATOM 26 CG2 VAL A 2 -12.129 8.662 11.217 1.00 0.00 C ATOM 0 HA VAL A 2 -9.526 9.350 12.054 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.847 7.183 10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.638 6.350 12.550 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.861 6.389 12.463 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.736 7.647 13.369 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.985 7.991 11.293 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.134 9.354 12.059 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -12.191 9.225 10.285 1.00 0.00 H new ATOM 36 N GLN A 3 -7.431 8.428 10.106 1.00 0.00 N ATOM 37 CA GLN A 3 -6.188 7.719 9.841 1.00 0.00 C ATOM 38 C GLN A 3 -5.307 8.534 8.915 1.00 0.00 C ATOM 39 O GLN A 3 -5.772 9.089 7.920 1.00 0.00 O ATOM 40 CB GLN A 3 -6.483 6.357 9.201 1.00 0.00 C ATOM 41 CG GLN A 3 -5.308 5.704 8.465 1.00 0.00 C ATOM 42 CD GLN A 3 -4.909 4.371 9.069 1.00 0.00 C ATOM 43 OE1 GLN A 3 -5.274 3.311 8.560 1.00 0.00 O ATOM 44 NE2 GLN A 3 -4.158 4.419 10.163 1.00 0.00 N ATOM 0 H GLN A 3 -7.527 9.311 9.604 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.668 7.566 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.824 5.676 9.980 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.308 6.477 8.498 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.575 5.559 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.452 6.378 8.485 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.879 5.320 10.551 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.860 3.555 10.616 1.00 0.00 H new ATOM 53 N SER A 4 -4.036 8.582 9.241 1.00 0.00 N ATOM 54 CA SER A 4 -3.073 9.309 8.431 1.00 0.00 C ATOM 55 C SER A 4 -2.349 8.368 7.482 1.00 0.00 C ATOM 56 O SER A 4 -2.463 7.146 7.579 1.00 0.00 O ATOM 57 CB SER A 4 -2.054 10.050 9.294 1.00 0.00 C ATOM 58 OG SER A 4 -2.292 9.828 10.672 1.00 0.00 O ATOM 0 H SER A 4 -3.639 8.126 10.063 1.00 0.00 H new ATOM 0 HA SER A 4 -3.631 10.045 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.048 9.719 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.102 11.118 9.081 1.00 0.00 H new ATOM 0 HG SER A 4 -1.625 10.312 11.201 1.00 0.00 H new ATOM 64 N CYS A 5 -1.616 8.960 6.558 1.00 0.00 N ATOM 65 CA CYS A 5 -0.867 8.217 5.560 1.00 0.00 C ATOM 66 C CYS A 5 0.536 8.818 5.422 1.00 0.00 C ATOM 67 O CYS A 5 0.849 9.812 6.078 1.00 0.00 O ATOM 68 CB CYS A 5 -1.681 8.226 4.257 1.00 0.00 C ATOM 69 SG CYS A 5 -0.900 9.013 2.834 1.00 0.00 S ATOM 0 H CYS A 5 -1.522 9.973 6.477 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.718 7.176 5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.915 7.195 3.992 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.629 8.729 4.449 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.678 9.948 2.374 1.00 0.00 H new ATOM 74 N SER A 6 1.390 8.213 4.601 1.00 0.00 N ATOM 75 CA SER A 6 2.752 8.711 4.440 1.00 0.00 C ATOM 76 C SER A 6 2.751 10.044 3.720 1.00 0.00 C ATOM 77 O SER A 6 3.425 10.989 4.129 1.00 0.00 O ATOM 78 CB SER A 6 3.606 7.706 3.673 1.00 0.00 C ATOM 79 OG SER A 6 4.961 8.118 3.642 1.00 0.00 O ATOM 0 H SER A 6 1.167 7.388 4.044 1.00 0.00 H new ATOM 0 HA SER A 6 3.180 8.849 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.530 6.725 4.142 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.229 7.603 2.655 1.00 0.00 H new ATOM 0 HG SER A 6 5.537 7.337 3.508 1.00 0.00 H new ATOM 85 N ALA A 7 1.980 10.107 2.648 1.00 0.00 N ATOM 86 CA ALA A 7 1.867 11.328 1.853 1.00 0.00 C ATOM 87 C ALA A 7 1.695 12.552 2.753 1.00 0.00 C ATOM 88 O ALA A 7 0.673 12.704 3.421 1.00 0.00 O ATOM 89 CB ALA A 7 0.706 11.216 0.877 1.00 0.00 C ATOM 0 H ALA A 7 1.420 9.327 2.304 1.00 0.00 H new ATOM 0 HA ALA A 7 2.789 11.453 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.633 12.132 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.872 10.371 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.221 11.065 1.430 1.00 0.00 H new ATOM 95 N TYR A 8 2.707 13.416 2.770 1.00 0.00 N ATOM 96 CA TYR A 8 2.671 14.623 3.599 1.00 0.00 C ATOM 97 C TYR A 8 1.500 15.520 3.191 1.00 0.00 C ATOM 98 O TYR A 8 1.348 15.857 2.017 1.00 0.00 O ATOM 99 CB TYR A 8 3.993 15.402 3.475 1.00 0.00 C ATOM 100 CG TYR A 8 4.783 15.536 4.772 1.00 0.00 C ATOM 101 CD1 TYR A 8 4.155 15.529 6.017 1.00 0.00 C ATOM 102 CD2 TYR A 8 6.169 15.675 4.745 1.00 0.00 C ATOM 103 CE1 TYR A 8 4.882 15.653 7.185 1.00 0.00 C ATOM 104 CE2 TYR A 8 6.899 15.799 5.913 1.00 0.00 C ATOM 105 CZ TYR A 8 6.252 15.788 7.128 1.00 0.00 C ATOM 106 OH TYR A 8 6.977 15.911 8.291 1.00 0.00 O ATOM 0 H TYR A 8 3.560 13.306 2.222 1.00 0.00 H new ATOM 0 HA TYR A 8 2.537 14.318 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 8 4.621 14.908 2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.775 16.400 3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.081 15.425 6.069 1.00 0.00 H new ATOM 0 HD2 TYR A 8 6.682 15.686 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.378 15.644 8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.973 15.904 5.872 1.00 0.00 H new ATOM 0 HH TYR A 8 6.520 15.433 9.014 1.00 0.00 H new ATOM 116 N GLY A 9 0.678 15.904 4.165 1.00 0.00 N ATOM 117 CA GLY A 9 -0.461 16.758 3.881 1.00 0.00 C ATOM 118 C GLY A 9 -1.473 16.085 2.982 1.00 0.00 C ATOM 119 O GLY A 9 -1.934 16.667 2.000 1.00 0.00 O ATOM 0 H GLY A 9 0.781 15.639 5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.942 17.042 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.114 17.677 3.409 1.00 0.00 H new ATOM 123 N CYS A 10 -1.812 14.855 3.321 1.00 0.00 N ATOM 124 CA CYS A 10 -2.767 14.082 2.550 1.00 0.00 C ATOM 125 C CYS A 10 -4.200 14.370 3.003 1.00 0.00 C ATOM 126 O CYS A 10 -4.423 14.874 4.104 1.00 0.00 O ATOM 127 CB CYS A 10 -2.450 12.590 2.676 1.00 0.00 C ATOM 128 SG CYS A 10 -3.445 11.553 1.587 1.00 0.00 S ATOM 0 H CYS A 10 -1.436 14.366 4.133 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.685 14.374 1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.395 12.430 2.454 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.609 12.278 3.708 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.401 12.027 0.377 1.00 0.00 H new ATOM 133 N LYS A 11 -5.169 14.056 2.141 1.00 0.00 N ATOM 134 CA LYS A 11 -6.574 14.289 2.443 1.00 0.00 C ATOM 135 C LYS A 11 -7.308 12.982 2.735 1.00 0.00 C ATOM 136 O LYS A 11 -8.535 12.914 2.654 1.00 0.00 O ATOM 137 CB LYS A 11 -7.249 15.018 1.280 1.00 0.00 C ATOM 138 CG LYS A 11 -8.122 16.178 1.716 1.00 0.00 C ATOM 139 CD LYS A 11 -7.308 17.450 1.851 1.00 0.00 C ATOM 140 CE LYS A 11 -8.066 18.516 2.625 1.00 0.00 C ATOM 141 NZ LYS A 11 -9.133 19.147 1.801 1.00 0.00 N ATOM 0 H LYS A 11 -5.001 13.638 1.226 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.624 14.910 3.337 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.482 15.387 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.857 14.307 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.921 16.329 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.596 15.943 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.368 17.230 2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.055 17.828 0.861 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.510 18.071 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.369 19.282 2.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.626 19.868 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.707 19.594 0.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.812 18.421 1.497 1.00 0.00 H new ATOM 155 N ASN A 12 -6.548 11.949 3.073 1.00 0.00 N ATOM 156 CA ASN A 12 -7.102 10.642 3.378 1.00 0.00 C ATOM 157 C ASN A 12 -7.995 10.678 4.609 1.00 0.00 C ATOM 158 O ASN A 12 -7.874 11.561 5.456 1.00 0.00 O ATOM 159 CB ASN A 12 -5.966 9.669 3.622 1.00 0.00 C ATOM 160 CG ASN A 12 -5.115 10.098 4.797 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.624 10.410 5.872 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.813 10.118 4.593 1.00 0.00 N ATOM 0 H ASN A 12 -5.531 11.996 3.143 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.709 10.327 2.529 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.371 8.674 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -5.346 9.599 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.183 10.401 5.344 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.435 9.851 3.684 1.00 0.00 H new ATOM 169 N ARG A 13 -8.877 9.692 4.705 1.00 0.00 N ATOM 170 CA ARG A 13 -9.786 9.587 5.849 1.00 0.00 C ATOM 171 C ARG A 13 -10.402 8.191 5.952 1.00 0.00 C ATOM 172 O ARG A 13 -11.218 7.804 5.117 1.00 0.00 O ATOM 173 CB ARG A 13 -10.906 10.638 5.771 1.00 0.00 C ATOM 174 CG ARG A 13 -10.946 11.426 4.465 1.00 0.00 C ATOM 175 CD ARG A 13 -12.046 12.479 4.474 1.00 0.00 C ATOM 176 NE ARG A 13 -11.586 13.755 3.930 1.00 0.00 N ATOM 177 CZ ARG A 13 -10.792 14.598 4.588 1.00 0.00 C ATOM 178 NH1 ARG A 13 -10.349 14.294 5.801 1.00 0.00 N ATOM 179 NH2 ARG A 13 -10.435 15.746 4.026 1.00 0.00 N ATOM 0 H ARG A 13 -8.986 8.954 4.010 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.189 9.771 6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.865 10.139 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.789 11.337 6.599 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.982 11.908 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.105 10.741 3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.895 12.121 3.892 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.399 12.626 5.495 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.891 14.015 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.616 13.410 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.741 14.944 6.300 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.769 15.982 3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.827 16.393 4.529 1.00 0.00 H new ATOM 193 N TYR A 14 -10.017 7.441 6.988 1.00 0.00 N ATOM 194 CA TYR A 14 -10.549 6.101 7.194 1.00 0.00 C ATOM 195 C TYR A 14 -12.024 6.163 7.579 1.00 0.00 C ATOM 196 O TYR A 14 -12.372 6.076 8.757 1.00 0.00 O ATOM 197 CB TYR A 14 -9.750 5.389 8.286 1.00 0.00 C ATOM 198 CG TYR A 14 -10.145 3.943 8.493 1.00 0.00 C ATOM 199 CD1 TYR A 14 -11.172 3.596 9.362 1.00 0.00 C ATOM 200 CD2 TYR A 14 -9.486 2.927 7.819 1.00 0.00 C ATOM 201 CE1 TYR A 14 -11.528 2.274 9.552 1.00 0.00 C ATOM 202 CE2 TYR A 14 -9.836 1.603 8.000 1.00 0.00 C ATOM 203 CZ TYR A 14 -10.858 1.281 8.868 1.00 0.00 C ATOM 204 OH TYR A 14 -11.209 -0.036 9.053 1.00 0.00 O ATOM 0 H TYR A 14 -9.342 7.741 7.691 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.460 5.542 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.690 5.433 8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.877 5.928 9.225 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -11.700 4.371 9.897 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.684 3.175 7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.327 2.020 10.233 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.312 0.825 7.465 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.640 -0.608 8.496 1.00 0.00 H new ATOM 214 N ASP A 15 -12.890 6.319 6.582 1.00 0.00 N ATOM 215 CA ASP A 15 -14.326 6.395 6.827 1.00 0.00 C ATOM 216 C ASP A 15 -15.048 5.192 6.232 1.00 0.00 C ATOM 217 O ASP A 15 -14.612 4.631 5.225 1.00 0.00 O ATOM 218 CB ASP A 15 -14.897 7.683 6.242 1.00 0.00 C ATOM 219 CG ASP A 15 -16.257 8.028 6.817 1.00 0.00 C ATOM 220 OD1 ASP A 15 -16.516 7.673 7.986 1.00 0.00 O ATOM 221 OD2 ASP A 15 -17.065 8.652 6.096 1.00 0.00 O ATOM 0 H ASP A 15 -12.623 6.395 5.600 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.482 6.392 7.906 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.206 8.504 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.978 7.582 5.160 1.00 0.00 H new ATOM 226 N LYS A 16 -16.155 4.801 6.855 1.00 0.00 N ATOM 227 CA LYS A 16 -16.936 3.662 6.378 1.00 0.00 C ATOM 228 C LYS A 16 -17.424 3.901 4.954 1.00 0.00 C ATOM 229 O LYS A 16 -17.634 2.959 4.189 1.00 0.00 O ATOM 230 CB LYS A 16 -18.130 3.392 7.302 1.00 0.00 C ATOM 231 CG LYS A 16 -19.202 4.473 7.258 1.00 0.00 C ATOM 232 CD LYS A 16 -20.545 3.912 6.816 1.00 0.00 C ATOM 233 CE LYS A 16 -21.691 4.836 7.194 1.00 0.00 C ATOM 234 NZ LYS A 16 -21.628 5.242 8.624 1.00 0.00 N ATOM 0 H LYS A 16 -16.532 5.253 7.688 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.287 2.787 6.384 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.579 2.437 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -17.769 3.293 8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.303 4.926 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -18.894 5.264 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.539 3.762 5.736 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.699 2.935 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -21.664 5.724 6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.640 4.336 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.584 5.477 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.244 4.459 9.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -21.012 6.074 8.722 1.00 0.00 H new ATOM 248 N ASP A 17 -17.601 5.168 4.609 1.00 0.00 N ATOM 249 CA ASP A 17 -18.059 5.551 3.284 1.00 0.00 C ATOM 250 C ASP A 17 -16.894 5.596 2.305 1.00 0.00 C ATOM 251 O ASP A 17 -16.923 4.954 1.256 1.00 0.00 O ATOM 252 CB ASP A 17 -18.731 6.920 3.351 1.00 0.00 C ATOM 253 CG ASP A 17 -20.221 6.846 3.077 1.00 0.00 C ATOM 254 OD1 ASP A 17 -20.812 5.768 3.296 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.796 7.867 2.645 1.00 0.00 O ATOM 0 H ASP A 17 -17.432 5.954 5.236 1.00 0.00 H new ATOM 0 HA ASP A 17 -18.776 4.809 2.934 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.567 7.355 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.264 7.587 2.627 1.00 0.00 H new ATOM 260 N LYS A 18 -15.871 6.363 2.661 1.00 0.00 N ATOM 261 CA LYS A 18 -14.690 6.506 1.822 1.00 0.00 C ATOM 262 C LYS A 18 -13.860 5.223 1.827 1.00 0.00 C ATOM 263 O LYS A 18 -13.260 4.872 2.843 1.00 0.00 O ATOM 264 CB LYS A 18 -13.841 7.674 2.320 1.00 0.00 C ATOM 265 CG LYS A 18 -12.704 8.046 1.381 1.00 0.00 C ATOM 266 CD LYS A 18 -13.050 9.267 0.542 1.00 0.00 C ATOM 267 CE LYS A 18 -13.428 8.881 -0.879 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.343 8.117 -1.554 1.00 0.00 N ATOM 0 H LYS A 18 -15.837 6.897 3.529 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.015 6.701 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.483 8.544 2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.427 7.421 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.803 8.245 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.482 7.204 0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.877 9.805 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.199 9.947 0.521 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.338 8.281 -0.862 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.650 9.781 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.330 8.353 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.427 8.366 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.513 7.097 -1.438 1.00 0.00 H new ATOM 282 N PRO A 19 -13.816 4.495 0.693 1.00 0.00 N ATOM 283 CA PRO A 19 -13.060 3.241 0.582 1.00 0.00 C ATOM 284 C PRO A 19 -11.553 3.439 0.515 1.00 0.00 C ATOM 285 O PRO A 19 -10.832 2.651 -0.098 1.00 0.00 O ATOM 286 CB PRO A 19 -13.551 2.661 -0.732 1.00 0.00 C ATOM 287 CG PRO A 19 -13.925 3.863 -1.537 1.00 0.00 C ATOM 288 CD PRO A 19 -14.514 4.815 -0.563 1.00 0.00 C ATOM 0 HA PRO A 19 -13.220 2.610 1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.775 2.075 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -14.404 1.999 -0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.054 4.293 -2.031 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.640 3.607 -2.319 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.348 5.850 -0.862 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -15.591 4.679 -0.470 1.00 0.00 H new ATOM 296 N VAL A 20 -11.096 4.491 1.144 1.00 0.00 N ATOM 297 CA VAL A 20 -9.683 4.829 1.176 1.00 0.00 C ATOM 298 C VAL A 20 -8.913 3.923 2.138 1.00 0.00 C ATOM 299 O VAL A 20 -8.641 4.296 3.278 1.00 0.00 O ATOM 300 CB VAL A 20 -9.487 6.305 1.581 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.974 6.550 3.002 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.032 6.718 1.424 1.00 0.00 C ATOM 0 H VAL A 20 -11.691 5.145 1.653 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.288 4.677 0.172 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.087 6.922 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.824 7.598 3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.034 6.307 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.412 5.921 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.917 7.762 1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.406 6.093 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.729 6.596 0.384 1.00 0.00 H new ATOM 312 N SER A 21 -8.562 2.730 1.669 1.00 0.00 N ATOM 313 CA SER A 21 -7.822 1.782 2.491 1.00 0.00 C ATOM 314 C SER A 21 -6.380 2.240 2.680 1.00 0.00 C ATOM 315 O SER A 21 -5.888 3.095 1.943 1.00 0.00 O ATOM 316 CB SER A 21 -7.846 0.389 1.861 1.00 0.00 C ATOM 317 OG SER A 21 -7.969 0.467 0.451 1.00 0.00 O ATOM 0 H SER A 21 -8.777 2.399 0.729 1.00 0.00 H new ATOM 0 HA SER A 21 -8.305 1.736 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.932 -0.146 2.120 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.678 -0.184 2.270 1.00 0.00 H new ATOM 0 HG SER A 21 -7.980 -0.437 0.073 1.00 0.00 H new ATOM 323 N PHE A 22 -5.708 1.666 3.671 1.00 0.00 N ATOM 324 CA PHE A 22 -4.322 2.013 3.956 1.00 0.00 C ATOM 325 C PHE A 22 -3.435 0.775 3.874 1.00 0.00 C ATOM 326 O PHE A 22 -3.881 -0.337 4.153 1.00 0.00 O ATOM 327 CB PHE A 22 -4.223 2.673 5.332 1.00 0.00 C ATOM 328 CG PHE A 22 -4.740 4.088 5.334 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.082 4.349 5.100 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.885 5.158 5.551 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.562 5.647 5.085 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.358 6.459 5.534 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.700 6.703 5.301 1.00 0.00 C ATOM 0 H PHE A 22 -6.101 0.958 4.291 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.971 2.724 3.208 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -4.786 2.083 6.055 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.183 2.670 5.659 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.762 3.528 4.927 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.837 4.974 5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.610 5.833 4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.680 7.283 5.702 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.072 7.717 5.288 1.00 0.00 H new ATOM 343 N HIS A 23 -2.187 0.968 3.459 1.00 0.00 N ATOM 344 CA HIS A 23 -1.255 -0.147 3.307 1.00 0.00 C ATOM 345 C HIS A 23 0.132 0.187 3.850 1.00 0.00 C ATOM 346 O HIS A 23 0.752 1.157 3.429 1.00 0.00 O ATOM 347 CB HIS A 23 -1.145 -0.522 1.832 1.00 0.00 C ATOM 348 CG HIS A 23 -2.459 -0.495 1.116 1.00 0.00 C ATOM 349 ND1 HIS A 23 -3.088 -1.626 0.635 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.267 0.543 0.807 1.00 0.00 C ATOM 351 CE1 HIS A 23 -4.225 -1.281 0.059 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.358 0.029 0.150 1.00 0.00 N ATOM 0 H HIS A 23 -1.798 1.881 3.223 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.645 -0.985 3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.456 0.165 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.714 -1.520 1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.088 1.584 1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.927 -1.956 -0.407 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.143 0.572 -0.209 1.00 0.00 H new ATOM 361 N LYS A 24 0.622 -0.639 4.767 1.00 0.00 N ATOM 362 CA LYS A 24 1.949 -0.443 5.354 1.00 0.00 C ATOM 363 C LYS A 24 3.038 -0.689 4.315 1.00 0.00 C ATOM 364 O LYS A 24 2.796 -1.342 3.300 1.00 0.00 O ATOM 365 CB LYS A 24 2.149 -1.385 6.544 1.00 0.00 C ATOM 366 CG LYS A 24 1.647 -0.818 7.863 1.00 0.00 C ATOM 367 CD LYS A 24 2.792 -0.528 8.821 1.00 0.00 C ATOM 368 CE LYS A 24 2.463 0.633 9.745 1.00 0.00 C ATOM 369 NZ LYS A 24 3.576 0.926 10.691 1.00 0.00 N ATOM 0 H LYS A 24 0.122 -1.453 5.123 1.00 0.00 H new ATOM 0 HA LYS A 24 2.019 0.588 5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.634 -2.324 6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.210 -1.617 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.088 0.099 7.676 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.957 -1.524 8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.006 -1.417 9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.694 -0.299 8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.250 1.521 9.150 1.00 0.00 H new ATOM 0 HE3 LYS A 24 1.559 0.403 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.311 1.724 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.763 0.088 11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.432 1.171 10.154 1.00 0.00 H new ATOM 383 N PHE A 25 4.243 -0.172 4.567 1.00 0.00 N ATOM 384 CA PHE A 25 5.345 -0.364 3.632 1.00 0.00 C ATOM 385 C PHE A 25 5.672 -1.847 3.511 1.00 0.00 C ATOM 386 O PHE A 25 5.813 -2.548 4.513 1.00 0.00 O ATOM 387 CB PHE A 25 6.576 0.452 4.039 1.00 0.00 C ATOM 388 CG PHE A 25 6.858 1.579 3.077 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.249 2.815 3.237 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.711 1.392 1.999 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.486 3.844 2.339 1.00 0.00 C ATOM 392 CE2 PHE A 25 7.956 2.418 1.102 1.00 0.00 C ATOM 393 CZ PHE A 25 7.340 3.644 1.269 1.00 0.00 C ATOM 0 H PHE A 25 4.475 0.373 5.397 1.00 0.00 H new ATOM 0 HA PHE A 25 5.035 0.002 2.653 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.425 0.859 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.444 -0.205 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.582 2.977 4.071 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.190 0.434 1.858 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.004 4.801 2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.628 2.260 0.272 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.525 4.443 0.567 1.00 0.00 H new ATOM 403 N PRO A 26 5.747 -2.352 2.270 1.00 0.00 N ATOM 404 CA PRO A 26 6.002 -3.763 1.999 1.00 0.00 C ATOM 405 C PRO A 26 7.482 -4.103 1.865 1.00 0.00 C ATOM 406 O PRO A 26 8.291 -3.268 1.464 1.00 0.00 O ATOM 407 CB PRO A 26 5.283 -3.929 0.667 1.00 0.00 C ATOM 408 CG PRO A 26 5.585 -2.662 -0.046 1.00 0.00 C ATOM 409 CD PRO A 26 5.544 -1.595 1.015 1.00 0.00 C ATOM 0 HA PRO A 26 5.667 -4.419 2.802 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.649 -4.796 0.118 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.211 -4.068 0.804 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.563 -2.703 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.853 -2.467 -0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 26 6.324 -0.849 0.865 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.592 -1.065 1.015 1.00 0.00 H new ATOM 417 N LEU A 27 7.823 -5.345 2.202 1.00 0.00 N ATOM 418 CA LEU A 27 9.194 -5.814 2.121 1.00 0.00 C ATOM 419 C LEU A 27 9.372 -6.783 0.953 1.00 0.00 C ATOM 420 O LEU A 27 10.477 -6.945 0.434 1.00 0.00 O ATOM 421 CB LEU A 27 9.603 -6.494 3.433 1.00 0.00 C ATOM 422 CG LEU A 27 9.504 -5.610 4.678 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.080 -6.433 5.884 1.00 0.00 C ATOM 424 CD2 LEU A 27 10.831 -4.914 4.945 1.00 0.00 C ATOM 0 H LEU A 27 7.160 -6.045 2.535 1.00 0.00 H new ATOM 0 HA LEU A 27 9.837 -4.950 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.976 -7.374 3.580 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.630 -6.847 3.337 1.00 0.00 H new ATOM 0 HG LEU A 27 8.746 -4.847 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.015 -5.788 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.106 -6.884 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.814 -7.218 6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.742 -4.290 5.834 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.609 -5.661 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 27 11.094 -4.292 4.090 1.00 0.00 H new ATOM 436 N THR A 28 8.277 -7.418 0.537 1.00 0.00 N ATOM 437 CA THR A 28 8.317 -8.360 -0.576 1.00 0.00 C ATOM 438 C THR A 28 8.652 -7.629 -1.871 1.00 0.00 C ATOM 439 O THR A 28 9.259 -8.195 -2.779 1.00 0.00 O ATOM 440 CB THR A 28 6.978 -9.089 -0.714 1.00 0.00 C ATOM 441 OG1 THR A 28 5.972 -8.446 0.051 1.00 0.00 O ATOM 442 CG2 THR A 28 7.039 -10.537 -0.274 1.00 0.00 C ATOM 0 H THR A 28 7.354 -7.296 0.954 1.00 0.00 H new ATOM 0 HA THR A 28 9.093 -9.098 -0.375 1.00 0.00 H new ATOM 0 HB THR A 28 6.740 -9.059 -1.777 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.124 -8.927 -0.053 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.058 -10.996 -0.397 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.769 -11.072 -0.882 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.334 -10.587 0.774 1.00 0.00 H new ATOM 450 N ARG A 29 8.248 -6.365 -1.937 1.00 0.00 N ATOM 451 CA ARG A 29 8.491 -5.524 -3.090 1.00 0.00 C ATOM 452 C ARG A 29 9.574 -4.500 -2.750 1.00 0.00 C ATOM 453 O ARG A 29 9.280 -3.483 -2.133 1.00 0.00 O ATOM 454 CB ARG A 29 7.179 -4.832 -3.458 1.00 0.00 C ATOM 455 CG ARG A 29 7.287 -3.912 -4.651 1.00 0.00 C ATOM 456 CD ARG A 29 7.104 -2.466 -4.230 1.00 0.00 C ATOM 457 NE ARG A 29 5.723 -2.014 -4.423 1.00 0.00 N ATOM 458 CZ ARG A 29 5.362 -0.853 -4.988 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.262 0.057 -5.364 1.00 0.00 N ATOM 460 NH2 ARG A 29 4.079 -0.594 -5.157 1.00 0.00 N ATOM 0 H ARG A 29 7.741 -5.898 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 29 8.838 -6.114 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.424 -5.591 -3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.829 -4.259 -2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.260 -4.037 -5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.533 -4.179 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.380 -2.355 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.778 -1.832 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 29 4.978 -2.632 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.257 -0.121 -5.224 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.956 0.931 -5.791 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.378 -1.273 -4.859 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.788 0.285 -5.585 1.00 0.00 H new ATOM 474 N PRO A 30 10.851 -4.787 -3.101 1.00 0.00 N ATOM 475 CA PRO A 30 11.988 -3.913 -2.789 1.00 0.00 C ATOM 476 C PRO A 30 12.374 -2.915 -3.888 1.00 0.00 C ATOM 477 O PRO A 30 12.172 -1.715 -3.729 1.00 0.00 O ATOM 478 CB PRO A 30 13.095 -4.918 -2.560 1.00 0.00 C ATOM 479 CG PRO A 30 12.780 -6.075 -3.462 1.00 0.00 C ATOM 480 CD PRO A 30 11.302 -6.011 -3.784 1.00 0.00 C ATOM 0 HA PRO A 30 11.763 -3.255 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.069 -4.490 -2.797 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.130 -5.232 -1.517 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.374 -6.023 -4.374 1.00 0.00 H new ATOM 0 HG3 PRO A 30 13.026 -7.019 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 30 11.128 -5.958 -4.859 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.774 -6.892 -3.419 1.00 0.00 H new ATOM 488 N SER A 31 12.942 -3.391 -4.996 1.00 0.00 N ATOM 489 CA SER A 31 13.344 -2.490 -6.079 1.00 0.00 C ATOM 490 C SER A 31 12.196 -1.569 -6.431 1.00 0.00 C ATOM 491 O SER A 31 12.321 -0.343 -6.405 1.00 0.00 O ATOM 492 CB SER A 31 13.783 -3.285 -7.309 1.00 0.00 C ATOM 493 OG SER A 31 12.664 -3.733 -8.054 1.00 0.00 O ATOM 0 H SER A 31 13.132 -4.378 -5.167 1.00 0.00 H new ATOM 0 HA SER A 31 14.191 -1.893 -5.741 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.418 -2.663 -7.940 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.383 -4.140 -6.998 1.00 0.00 H new ATOM 0 HG SER A 31 12.972 -4.237 -8.836 1.00 0.00 H new ATOM 499 N LEU A 32 11.062 -2.178 -6.697 1.00 0.00 N ATOM 500 CA LEU A 32 9.855 -1.449 -7.000 1.00 0.00 C ATOM 501 C LEU A 32 9.518 -0.538 -5.826 1.00 0.00 C ATOM 502 O LEU A 32 9.004 0.562 -5.995 1.00 0.00 O ATOM 503 CB LEU A 32 8.734 -2.419 -7.224 1.00 0.00 C ATOM 504 CG LEU A 32 7.461 -1.773 -7.733 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.638 -1.282 -9.161 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.326 -2.755 -7.648 1.00 0.00 C ATOM 0 H LEU A 32 10.953 -3.192 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 32 9.998 -0.849 -7.899 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.058 -3.176 -7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.520 -2.935 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 32 7.231 -0.909 -7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.712 -0.822 -9.505 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.443 -0.548 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.887 -2.124 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.412 -2.287 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.555 -3.630 -8.256 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.186 -3.061 -6.611 1.00 0.00 H new ATOM 518 N CYS A 33 9.820 -1.030 -4.622 1.00 0.00 N ATOM 519 CA CYS A 33 9.566 -0.288 -3.390 1.00 0.00 C ATOM 520 C CYS A 33 10.120 1.123 -3.483 1.00 0.00 C ATOM 521 O CYS A 33 9.557 2.061 -2.924 1.00 0.00 O ATOM 522 CB CYS A 33 10.206 -0.996 -2.205 1.00 0.00 C ATOM 523 SG CYS A 33 9.406 -0.654 -0.620 1.00 0.00 S ATOM 0 H CYS A 33 10.244 -1.946 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 33 8.486 -0.238 -3.248 1.00 0.00 H new ATOM 0 HB2 CYS A 33 10.187 -2.071 -2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.254 -0.701 -2.142 1.00 0.00 H new ATOM 0 HG CYS A 33 9.106 -1.775 -0.034 1.00 0.00 H new ATOM 529 N LYS A 34 11.218 1.274 -4.214 1.00 0.00 N ATOM 530 CA LYS A 34 11.824 2.575 -4.401 1.00 0.00 C ATOM 531 C LYS A 34 10.742 3.526 -4.890 1.00 0.00 C ATOM 532 O LYS A 34 10.685 4.692 -4.504 1.00 0.00 O ATOM 533 CB LYS A 34 12.984 2.472 -5.413 1.00 0.00 C ATOM 534 CG LYS A 34 13.436 3.810 -5.991 1.00 0.00 C ATOM 535 CD LYS A 34 14.083 3.653 -7.366 1.00 0.00 C ATOM 536 CE LYS A 34 13.233 2.821 -8.322 1.00 0.00 C ATOM 537 NZ LYS A 34 13.598 3.068 -9.745 1.00 0.00 N ATOM 0 H LYS A 34 11.702 0.509 -4.684 1.00 0.00 H new ATOM 0 HA LYS A 34 12.241 2.950 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.834 1.995 -4.926 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.679 1.821 -6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.579 4.479 -6.068 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.145 4.278 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.251 4.639 -7.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.060 3.184 -7.252 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.359 1.763 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.180 3.057 -8.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.999 2.485 -10.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.454 4.073 -9.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.596 2.819 -9.896 1.00 0.00 H new ATOM 551 N GLU A 35 9.859 2.982 -5.716 1.00 0.00 N ATOM 552 CA GLU A 35 8.746 3.720 -6.255 1.00 0.00 C ATOM 553 C GLU A 35 7.904 4.281 -5.129 1.00 0.00 C ATOM 554 O GLU A 35 7.444 5.423 -5.175 1.00 0.00 O ATOM 555 CB GLU A 35 7.890 2.804 -7.130 1.00 0.00 C ATOM 556 CG GLU A 35 8.668 2.184 -8.259 1.00 0.00 C ATOM 557 CD GLU A 35 7.795 1.807 -9.437 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.632 2.256 -9.479 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.277 1.072 -10.324 1.00 0.00 O ATOM 0 H GLU A 35 9.903 2.012 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 35 9.127 4.542 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.463 2.014 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.056 3.375 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.436 2.882 -8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.182 1.295 -7.894 1.00 0.00 H new ATOM 566 N TRP A 36 7.732 3.460 -4.105 1.00 0.00 N ATOM 567 CA TRP A 36 6.958 3.852 -2.934 1.00 0.00 C ATOM 568 C TRP A 36 7.576 5.078 -2.291 1.00 0.00 C ATOM 569 O TRP A 36 6.867 5.935 -1.763 1.00 0.00 O ATOM 570 CB TRP A 36 6.824 2.707 -1.953 1.00 0.00 C ATOM 571 CG TRP A 36 5.548 1.942 -2.105 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.949 1.531 -3.258 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.704 1.518 -1.043 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.786 0.853 -2.967 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.618 0.835 -1.602 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.768 1.646 0.335 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.609 0.283 -0.804 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.768 1.104 1.095 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.715 0.436 0.532 1.00 0.00 C ATOM 0 H TRP A 36 8.118 2.517 -4.060 1.00 0.00 H new ATOM 0 HA TRP A 36 5.948 4.109 -3.253 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.665 2.026 -2.083 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.886 3.099 -0.938 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.330 1.710 -4.253 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.155 0.434 -3.650 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.593 2.165 0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.776 -0.246 -1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.811 1.206 2.169 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.951 0.021 1.172 1.00 0.00 H new ATOM 590 N GLU A 37 8.898 5.195 -2.389 1.00 0.00 N ATOM 591 CA GLU A 37 9.582 6.363 -1.855 1.00 0.00 C ATOM 592 C GLU A 37 9.016 7.613 -2.500 1.00 0.00 C ATOM 593 O GLU A 37 8.859 8.653 -1.860 1.00 0.00 O ATOM 594 CB GLU A 37 11.072 6.272 -2.144 1.00 0.00 C ATOM 595 CG GLU A 37 11.714 5.012 -1.597 1.00 0.00 C ATOM 596 CD GLU A 37 13.037 5.275 -0.900 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.452 6.451 -0.831 1.00 0.00 O ATOM 598 OE2 GLU A 37 13.659 4.302 -0.424 1.00 0.00 O ATOM 0 H GLU A 37 9.507 4.504 -2.827 1.00 0.00 H new ATOM 0 HA GLU A 37 9.432 6.405 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.229 6.313 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.572 7.141 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.028 4.536 -0.896 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.874 4.308 -2.414 1.00 0.00 H new ATOM 605 N ALA A 38 8.691 7.483 -3.778 1.00 0.00 N ATOM 606 CA ALA A 38 8.114 8.581 -4.536 1.00 0.00 C ATOM 607 C ALA A 38 6.798 8.992 -3.905 1.00 0.00 C ATOM 608 O ALA A 38 6.446 10.170 -3.874 1.00 0.00 O ATOM 609 CB ALA A 38 7.913 8.182 -5.990 1.00 0.00 C ATOM 0 H ALA A 38 8.818 6.624 -4.313 1.00 0.00 H new ATOM 0 HA ALA A 38 8.799 9.429 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.480 9.018 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.874 7.916 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.241 7.326 -6.043 1.00 0.00 H new ATOM 615 N ALA A 39 6.093 8.002 -3.371 1.00 0.00 N ATOM 616 CA ALA A 39 4.823 8.235 -2.701 1.00 0.00 C ATOM 617 C ALA A 39 4.975 9.334 -1.659 1.00 0.00 C ATOM 618 O ALA A 39 4.018 10.031 -1.324 1.00 0.00 O ATOM 619 CB ALA A 39 4.335 6.952 -2.043 1.00 0.00 C ATOM 0 H ALA A 39 6.383 7.024 -3.390 1.00 0.00 H new ATOM 0 HA ALA A 39 4.088 8.552 -3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.384 7.138 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.202 6.181 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.069 6.617 -1.310 1.00 0.00 H new ATOM 625 N VAL A 40 6.194 9.474 -1.151 1.00 0.00 N ATOM 626 CA VAL A 40 6.498 10.475 -0.147 1.00 0.00 C ATOM 627 C VAL A 40 7.114 11.718 -0.786 1.00 0.00 C ATOM 628 O VAL A 40 6.499 12.784 -0.809 1.00 0.00 O ATOM 629 CB VAL A 40 7.456 9.888 0.916 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.068 10.971 1.788 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.732 8.862 1.768 1.00 0.00 C ATOM 0 H VAL A 40 6.991 8.899 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 40 5.567 10.768 0.338 1.00 0.00 H new ATOM 0 HB VAL A 40 8.274 9.397 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.734 10.515 2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.634 11.663 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.276 11.513 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.418 8.457 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.890 9.336 2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.367 8.054 1.133 1.00 0.00 H new ATOM 641 N ARG A 41 8.326 11.567 -1.316 1.00 0.00 N ATOM 642 CA ARG A 41 9.030 12.670 -1.976 1.00 0.00 C ATOM 643 C ARG A 41 9.526 13.733 -0.989 1.00 0.00 C ATOM 644 O ARG A 41 10.322 14.596 -1.356 1.00 0.00 O ATOM 645 CB ARG A 41 8.124 13.323 -3.025 1.00 0.00 C ATOM 646 CG ARG A 41 8.853 14.289 -3.947 1.00 0.00 C ATOM 647 CD ARG A 41 9.326 13.600 -5.219 1.00 0.00 C ATOM 648 NE ARG A 41 8.915 14.327 -6.418 1.00 0.00 N ATOM 649 CZ ARG A 41 7.688 14.276 -6.931 1.00 0.00 C ATOM 650 NH1 ARG A 41 6.749 13.536 -6.355 1.00 0.00 N ATOM 651 NH2 ARG A 41 7.399 14.967 -8.025 1.00 0.00 N ATOM 0 H ARG A 41 8.845 10.689 -1.302 1.00 0.00 H new ATOM 0 HA ARG A 41 9.908 12.239 -2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.658 12.542 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.320 13.856 -2.517 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.191 15.116 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.709 14.716 -3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.412 13.513 -5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.925 12.587 -5.254 1.00 0.00 H new ATOM 0 HE ARG A 41 9.609 14.907 -6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.966 13.002 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.811 13.502 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.117 15.537 -8.473 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.459 14.929 -8.419 1.00 0.00 H new ATOM 665 N ARG A 42 9.060 13.681 0.257 1.00 0.00 N ATOM 666 CA ARG A 42 9.476 14.661 1.256 1.00 0.00 C ATOM 667 C ARG A 42 10.449 14.044 2.267 1.00 0.00 C ATOM 668 O ARG A 42 11.625 13.851 1.962 1.00 0.00 O ATOM 669 CB ARG A 42 8.249 15.244 1.963 1.00 0.00 C ATOM 670 CG ARG A 42 7.408 16.146 1.072 1.00 0.00 C ATOM 671 CD ARG A 42 7.741 17.613 1.291 1.00 0.00 C ATOM 672 NE ARG A 42 8.850 18.056 0.449 1.00 0.00 N ATOM 673 CZ ARG A 42 9.161 19.333 0.243 1.00 0.00 C ATOM 674 NH1 ARG A 42 8.449 20.298 0.814 1.00 0.00 N ATOM 675 NH2 ARG A 42 10.186 19.648 -0.536 1.00 0.00 N ATOM 0 H ARG A 42 8.402 12.979 0.596 1.00 0.00 H new ATOM 0 HA ARG A 42 10.002 15.469 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.628 14.427 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.577 15.811 2.835 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.576 15.886 0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.351 15.977 1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.861 18.220 1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.995 17.774 2.339 1.00 0.00 H new ATOM 0 HE ARG A 42 9.420 17.344 -0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.659 20.062 1.414 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.692 21.275 0.652 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.736 18.911 -0.978 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.424 20.627 -0.694 1.00 0.00 H new ATOM 689 N LYS A 43 9.962 13.741 3.471 1.00 0.00 N ATOM 690 CA LYS A 43 10.804 13.155 4.508 1.00 0.00 C ATOM 691 C LYS A 43 11.197 11.727 4.147 1.00 0.00 C ATOM 692 O LYS A 43 10.568 11.096 3.298 1.00 0.00 O ATOM 693 CB LYS A 43 10.077 13.175 5.855 1.00 0.00 C ATOM 694 CG LYS A 43 10.966 13.569 7.023 1.00 0.00 C ATOM 695 CD LYS A 43 10.189 14.337 8.081 1.00 0.00 C ATOM 696 CE LYS A 43 9.511 13.397 9.065 1.00 0.00 C ATOM 697 NZ LYS A 43 9.403 14.000 10.423 1.00 0.00 N ATOM 0 H LYS A 43 8.992 13.892 3.749 1.00 0.00 H new ATOM 0 HA LYS A 43 11.713 13.752 4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.240 13.871 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.657 12.187 6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.402 12.674 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.793 14.180 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.864 15.003 8.618 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.439 14.964 7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.516 13.145 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.074 12.466 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.935 13.328 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.354 14.218 10.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.844 14.875 10.371 1.00 0.00 H new ATOM 711 N ASN A 44 12.238 11.222 4.800 1.00 0.00 N ATOM 712 CA ASN A 44 12.711 9.866 4.549 1.00 0.00 C ATOM 713 C ASN A 44 11.739 8.839 5.123 1.00 0.00 C ATOM 714 O ASN A 44 12.096 8.072 6.016 1.00 0.00 O ATOM 715 CB ASN A 44 14.103 9.668 5.153 1.00 0.00 C ATOM 716 CG ASN A 44 15.135 10.597 4.544 1.00 0.00 C ATOM 717 OD1 ASN A 44 14.811 11.436 3.704 1.00 0.00 O ATOM 718 ND2 ASN A 44 16.385 10.453 4.967 1.00 0.00 N ATOM 0 H ASN A 44 12.770 11.731 5.506 1.00 0.00 H new ATOM 0 HA ASN A 44 12.770 9.720 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.057 9.836 6.229 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.416 8.635 5.005 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.122 11.051 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.609 9.744 5.665 1.00 0.00 H new ATOM 725 N PHE A 45 10.510 8.841 4.591 1.00 0.00 N ATOM 726 CA PHE A 45 9.437 7.924 5.014 1.00 0.00 C ATOM 727 C PHE A 45 9.876 6.967 6.124 1.00 0.00 C ATOM 728 O PHE A 45 10.060 5.775 5.889 1.00 0.00 O ATOM 729 CB PHE A 45 8.942 7.123 3.802 1.00 0.00 C ATOM 730 CG PHE A 45 10.010 6.243 3.194 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.031 6.811 2.448 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.002 4.857 3.362 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.019 6.027 1.882 1.00 0.00 C ATOM 734 CE2 PHE A 45 10.990 4.073 2.795 1.00 0.00 C ATOM 735 CZ PHE A 45 11.997 4.659 2.056 1.00 0.00 C ATOM 0 H PHE A 45 10.228 9.482 3.850 1.00 0.00 H new ATOM 0 HA PHE A 45 8.632 8.535 5.422 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.098 6.503 4.104 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.574 7.814 3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.055 7.881 2.307 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.217 4.393 3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.808 6.486 1.304 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.973 3.002 2.931 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.768 4.046 1.614 1.00 0.00 H new ATOM 745 N LYS A 46 10.035 7.501 7.335 1.00 0.00 N ATOM 746 CA LYS A 46 10.450 6.695 8.481 1.00 0.00 C ATOM 747 C LYS A 46 9.495 5.518 8.681 1.00 0.00 C ATOM 748 O LYS A 46 8.380 5.690 9.171 1.00 0.00 O ATOM 749 CB LYS A 46 10.487 7.562 9.746 1.00 0.00 C ATOM 750 CG LYS A 46 11.557 7.160 10.755 1.00 0.00 C ATOM 751 CD LYS A 46 12.908 7.801 10.449 1.00 0.00 C ATOM 752 CE LYS A 46 12.803 9.302 10.195 1.00 0.00 C ATOM 753 NZ LYS A 46 12.826 9.621 8.740 1.00 0.00 N ATOM 0 H LYS A 46 9.883 8.487 7.547 1.00 0.00 H new ATOM 0 HA LYS A 46 11.449 6.303 8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.651 8.600 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.512 7.517 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.237 7.450 11.756 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.663 6.075 10.756 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.587 7.624 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.345 7.318 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.881 9.681 10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.628 9.813 10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.233 10.456 8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.803 9.819 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.458 8.811 8.201 1.00 0.00 H new ATOM 767 N PRO A 47 9.913 4.303 8.280 1.00 0.00 N ATOM 768 CA PRO A 47 9.085 3.089 8.386 1.00 0.00 C ATOM 769 C PRO A 47 8.610 2.768 9.804 1.00 0.00 C ATOM 770 O PRO A 47 7.823 1.845 10.005 1.00 0.00 O ATOM 771 CB PRO A 47 10.019 1.994 7.878 1.00 0.00 C ATOM 772 CG PRO A 47 10.877 2.719 6.929 1.00 0.00 C ATOM 773 CD PRO A 47 11.209 3.995 7.654 1.00 0.00 C ATOM 0 HA PRO A 47 8.157 3.200 7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.597 1.547 8.687 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.471 1.186 7.393 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.775 2.151 6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.360 2.915 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.001 3.858 8.390 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.537 4.782 6.975 1.00 0.00 H new ATOM 781 N THR A 48 9.090 3.523 10.781 1.00 0.00 N ATOM 782 CA THR A 48 8.710 3.306 12.173 1.00 0.00 C ATOM 783 C THR A 48 7.202 3.460 12.347 1.00 0.00 C ATOM 784 O THR A 48 6.538 2.588 12.908 1.00 0.00 O ATOM 785 CB THR A 48 9.440 4.308 13.073 1.00 0.00 C ATOM 786 OG1 THR A 48 8.999 4.194 14.414 1.00 0.00 O ATOM 787 CG2 THR A 48 9.235 5.742 12.639 1.00 0.00 C ATOM 0 H THR A 48 9.744 4.292 10.638 1.00 0.00 H new ATOM 0 HA THR A 48 8.992 2.292 12.456 1.00 0.00 H new ATOM 0 HB THR A 48 10.499 4.063 12.990 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.478 4.841 14.972 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.775 6.407 13.313 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.610 5.872 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.172 5.982 12.667 1.00 0.00 H new ATOM 795 N LYS A 49 6.671 4.575 11.860 1.00 0.00 N ATOM 796 CA LYS A 49 5.245 4.856 11.952 1.00 0.00 C ATOM 797 C LYS A 49 4.691 5.288 10.596 1.00 0.00 C ATOM 798 O LYS A 49 3.506 5.112 10.316 1.00 0.00 O ATOM 799 CB LYS A 49 4.985 5.948 12.991 1.00 0.00 C ATOM 800 CG LYS A 49 5.770 5.761 14.281 1.00 0.00 C ATOM 801 CD LYS A 49 4.894 5.976 15.505 1.00 0.00 C ATOM 802 CE LYS A 49 4.602 7.451 15.729 1.00 0.00 C ATOM 803 NZ LYS A 49 5.647 8.103 16.566 1.00 0.00 N ATOM 0 H LYS A 49 7.212 5.304 11.394 1.00 0.00 H new ATOM 0 HA LYS A 49 4.737 3.942 12.261 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.238 6.916 12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.920 5.971 13.223 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.193 4.757 14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.606 6.460 14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.957 5.433 15.383 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.389 5.564 16.385 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.539 7.959 14.767 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.631 7.560 16.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.411 9.108 16.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.690 7.635 17.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.570 8.022 16.094 1.00 0.00 H new ATOM 817 N TYR A 50 5.556 5.863 9.760 1.00 0.00 N ATOM 818 CA TYR A 50 5.151 6.327 8.442 1.00 0.00 C ATOM 819 C TYR A 50 5.023 5.172 7.453 1.00 0.00 C ATOM 820 O TYR A 50 4.351 5.307 6.435 1.00 0.00 O ATOM 821 CB TYR A 50 6.144 7.360 7.908 1.00 0.00 C ATOM 822 CG TYR A 50 6.216 8.616 8.745 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.061 9.221 9.224 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.439 9.196 9.058 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.122 10.370 9.990 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.509 10.344 9.825 1.00 0.00 C ATOM 827 CZ TYR A 50 6.348 10.927 10.288 1.00 0.00 C ATOM 828 OH TYR A 50 6.413 12.071 11.050 1.00 0.00 O ATOM 0 H TYR A 50 6.541 6.017 9.976 1.00 0.00 H new ATOM 0 HA TYR A 50 4.171 6.792 8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.135 6.908 7.859 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.865 7.628 6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.099 8.786 8.994 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.350 8.743 8.696 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.214 10.829 10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.468 10.782 10.060 1.00 0.00 H new ATOM 0 HH TYR A 50 7.250 12.077 11.560 1.00 0.00 H new ATOM 838 N SER A 51 5.679 4.044 7.749 1.00 0.00 N ATOM 839 CA SER A 51 5.636 2.869 6.869 1.00 0.00 C ATOM 840 C SER A 51 4.202 2.511 6.454 1.00 0.00 C ATOM 841 O SER A 51 3.651 1.504 6.898 1.00 0.00 O ATOM 842 CB SER A 51 6.288 1.665 7.563 1.00 0.00 C ATOM 843 OG SER A 51 5.758 0.438 7.092 1.00 0.00 O ATOM 0 H SER A 51 6.245 3.919 8.589 1.00 0.00 H new ATOM 0 HA SER A 51 6.191 3.121 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.364 1.686 7.393 1.00 0.00 H new ATOM 0 HB3 SER A 51 6.134 1.738 8.640 1.00 0.00 H new ATOM 0 HG SER A 51 6.196 -0.307 7.554 1.00 0.00 H new ATOM 849 N SER A 52 3.606 3.331 5.593 1.00 0.00 N ATOM 850 CA SER A 52 2.250 3.081 5.115 1.00 0.00 C ATOM 851 C SER A 52 1.833 4.105 4.070 1.00 0.00 C ATOM 852 O SER A 52 2.292 5.242 4.080 1.00 0.00 O ATOM 853 CB SER A 52 1.253 3.081 6.275 1.00 0.00 C ATOM 854 OG SER A 52 1.218 4.341 6.921 1.00 0.00 O ATOM 0 H SER A 52 4.040 4.172 5.213 1.00 0.00 H new ATOM 0 HA SER A 52 2.246 2.096 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.259 2.832 5.903 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.527 2.309 6.994 1.00 0.00 H new ATOM 0 HG SER A 52 0.572 4.313 7.657 1.00 0.00 H new ATOM 860 N ILE A 53 0.962 3.683 3.169 1.00 0.00 N ATOM 861 CA ILE A 53 0.475 4.537 2.105 1.00 0.00 C ATOM 862 C ILE A 53 -1.037 4.391 2.009 1.00 0.00 C ATOM 863 O ILE A 53 -1.586 3.373 2.431 1.00 0.00 O ATOM 864 CB ILE A 53 1.109 4.111 0.765 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.630 3.918 0.907 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.779 5.083 -0.372 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.447 5.192 0.920 1.00 0.00 C ATOM 0 H ILE A 53 0.574 2.740 3.157 1.00 0.00 H new ATOM 0 HA ILE A 53 0.740 5.573 2.318 1.00 0.00 H new ATOM 0 HB ILE A 53 0.667 3.151 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.825 3.372 1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.978 3.291 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.249 4.738 -1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.301 5.128 -0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.154 6.075 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.504 4.946 1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.291 5.734 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.136 5.815 1.758 1.00 0.00 H new ATOM 879 N CYS A 54 -1.721 5.393 1.469 1.00 0.00 N ATOM 880 CA CYS A 54 -3.166 5.315 1.355 1.00 0.00 C ATOM 881 C CYS A 54 -3.586 5.135 -0.113 1.00 0.00 C ATOM 882 O CYS A 54 -2.794 5.376 -1.025 1.00 0.00 O ATOM 883 CB CYS A 54 -3.811 6.533 2.017 1.00 0.00 C ATOM 884 SG CYS A 54 -4.074 7.946 0.939 1.00 0.00 S ATOM 0 H CYS A 54 -1.305 6.252 1.110 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.527 4.435 1.887 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.772 6.232 2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -3.184 6.846 2.852 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.926 8.410 0.544 1.00 0.00 H new ATOM 889 N SER A 55 -4.813 4.658 -0.331 1.00 0.00 N ATOM 890 CA SER A 55 -5.315 4.381 -1.680 1.00 0.00 C ATOM 891 C SER A 55 -5.292 5.602 -2.606 1.00 0.00 C ATOM 892 O SER A 55 -5.014 5.473 -3.797 1.00 0.00 O ATOM 893 CB SER A 55 -6.741 3.827 -1.603 1.00 0.00 C ATOM 894 OG SER A 55 -7.183 3.732 -0.260 1.00 0.00 O ATOM 0 H SER A 55 -5.481 4.454 0.413 1.00 0.00 H new ATOM 0 HA SER A 55 -4.638 3.644 -2.113 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.415 4.473 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.777 2.843 -2.071 1.00 0.00 H new ATOM 0 HG SER A 55 -6.584 3.139 0.240 1.00 0.00 H new ATOM 900 N GLU A 56 -5.621 6.771 -2.070 1.00 0.00 N ATOM 901 CA GLU A 56 -5.679 7.998 -2.833 1.00 0.00 C ATOM 902 C GLU A 56 -4.552 8.147 -3.867 1.00 0.00 C ATOM 903 O GLU A 56 -4.716 8.852 -4.862 1.00 0.00 O ATOM 904 CB GLU A 56 -5.660 9.164 -1.859 1.00 0.00 C ATOM 905 CG GLU A 56 -6.789 9.116 -0.856 1.00 0.00 C ATOM 906 CD GLU A 56 -7.214 10.493 -0.388 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.611 11.004 0.580 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.149 11.063 -0.989 1.00 0.00 O ATOM 0 H GLU A 56 -5.856 6.888 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.601 7.979 -3.414 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.709 9.170 -1.327 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.718 10.098 -2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.644 8.608 -1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.480 8.523 0.005 1.00 0.00 H new ATOM 915 N HIS A 57 -3.408 7.514 -3.625 1.00 0.00 N ATOM 916 CA HIS A 57 -2.269 7.627 -4.543 1.00 0.00 C ATOM 917 C HIS A 57 -2.115 6.394 -5.431 1.00 0.00 C ATOM 918 O HIS A 57 -1.409 6.434 -6.439 1.00 0.00 O ATOM 919 CB HIS A 57 -0.981 7.858 -3.739 1.00 0.00 C ATOM 920 CG HIS A 57 -1.193 8.748 -2.569 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.723 10.016 -2.663 1.00 0.00 N ATOM 922 CD2 HIS A 57 -1.005 8.508 -1.258 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.858 10.517 -1.443 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.429 9.616 -0.567 1.00 0.00 N ATOM 0 H HIS A 57 -3.241 6.922 -2.811 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.458 8.476 -5.200 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.594 6.899 -3.396 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.223 8.294 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.595 7.607 -0.827 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -2.251 11.494 -1.202 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -1.417 9.728 0.447 1.00 0.00 H new ATOM 932 N PHE A 58 -2.766 5.302 -5.059 1.00 0.00 N ATOM 933 CA PHE A 58 -2.683 4.071 -5.833 1.00 0.00 C ATOM 934 C PHE A 58 -3.773 4.022 -6.904 1.00 0.00 C ATOM 935 O PHE A 58 -4.810 4.672 -6.773 1.00 0.00 O ATOM 936 CB PHE A 58 -2.823 2.862 -4.911 1.00 0.00 C ATOM 937 CG PHE A 58 -1.550 2.519 -4.206 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.516 1.895 -4.883 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.383 2.826 -2.867 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.661 1.584 -4.237 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.209 2.518 -2.217 1.00 0.00 C ATOM 942 CZ PHE A 58 0.814 1.897 -2.903 1.00 0.00 C ATOM 0 H PHE A 58 -3.356 5.242 -4.229 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.710 4.047 -6.324 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.599 3.062 -4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.153 2.002 -5.495 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.633 1.649 -5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.182 3.312 -2.326 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.461 1.097 -4.774 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.089 2.762 -1.172 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.736 1.656 -2.395 1.00 0.00 H new ATOM 952 N THR A 59 -3.546 3.230 -7.952 1.00 0.00 N ATOM 953 CA THR A 59 -4.531 3.088 -9.024 1.00 0.00 C ATOM 954 C THR A 59 -5.494 1.946 -8.710 1.00 0.00 C ATOM 955 O THR A 59 -5.100 0.916 -8.164 1.00 0.00 O ATOM 956 CB THR A 59 -3.858 2.826 -10.377 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.852 1.837 -10.254 1.00 0.00 O ATOM 958 CG2 THR A 59 -3.219 4.049 -11.012 1.00 0.00 C ATOM 0 H THR A 59 -2.696 2.681 -8.081 1.00 0.00 H new ATOM 0 HA THR A 59 -5.081 4.027 -9.088 1.00 0.00 H new ATOM 0 HB THR A 59 -4.672 2.500 -11.025 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.436 1.683 -11.128 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.768 3.771 -11.964 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.980 4.811 -11.180 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.450 4.444 -10.348 1.00 0.00 H new ATOM 966 N PRO A 60 -6.775 2.122 -9.063 1.00 0.00 N ATOM 967 CA PRO A 60 -7.821 1.115 -8.836 1.00 0.00 C ATOM 968 C PRO A 60 -7.435 -0.252 -9.384 1.00 0.00 C ATOM 969 O PRO A 60 -7.717 -1.283 -8.771 1.00 0.00 O ATOM 970 CB PRO A 60 -9.012 1.674 -9.618 1.00 0.00 C ATOM 971 CG PRO A 60 -8.787 3.132 -9.632 1.00 0.00 C ATOM 972 CD PRO A 60 -7.307 3.323 -9.725 1.00 0.00 C ATOM 0 HA PRO A 60 -8.015 0.957 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.050 1.268 -10.629 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.957 1.422 -9.137 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.294 3.596 -10.478 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.184 3.596 -8.729 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.974 3.394 -10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.986 4.236 -9.223 1.00 0.00 H new ATOM 980 N ASP A 61 -6.800 -0.250 -10.548 1.00 0.00 N ATOM 981 CA ASP A 61 -6.384 -1.489 -11.198 1.00 0.00 C ATOM 982 C ASP A 61 -5.333 -2.224 -10.374 1.00 0.00 C ATOM 983 O ASP A 61 -5.243 -3.451 -10.417 1.00 0.00 O ATOM 984 CB ASP A 61 -5.843 -1.198 -12.599 1.00 0.00 C ATOM 985 CG ASP A 61 -5.523 -2.465 -13.368 1.00 0.00 C ATOM 986 OD1 ASP A 61 -6.471 -3.152 -13.799 1.00 0.00 O ATOM 987 OD2 ASP A 61 -4.324 -2.769 -13.538 1.00 0.00 O ATOM 0 H ASP A 61 -6.560 0.597 -11.064 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.260 -2.133 -11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.576 -0.614 -13.155 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.944 -0.587 -12.519 1.00 0.00 H new ATOM 992 N CYS A 62 -4.539 -1.468 -9.635 1.00 0.00 N ATOM 993 CA CYS A 62 -3.487 -2.038 -8.807 1.00 0.00 C ATOM 994 C CYS A 62 -4.039 -2.563 -7.476 1.00 0.00 C ATOM 995 O CYS A 62 -3.287 -3.076 -6.647 1.00 0.00 O ATOM 996 CB CYS A 62 -2.389 -0.984 -8.583 1.00 0.00 C ATOM 997 SG CYS A 62 -2.197 -0.404 -6.876 1.00 0.00 S ATOM 0 H CYS A 62 -4.603 -0.451 -9.591 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.056 -2.895 -9.325 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.438 -1.400 -8.916 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.601 -0.124 -9.218 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.392 -1.394 -6.057 1.00 0.00 H new ATOM 1003 N PHE A 63 -5.348 -2.434 -7.274 1.00 0.00 N ATOM 1004 CA PHE A 63 -5.976 -2.896 -6.040 1.00 0.00 C ATOM 1005 C PHE A 63 -6.779 -4.173 -6.270 1.00 0.00 C ATOM 1006 O PHE A 63 -7.766 -4.426 -5.579 1.00 0.00 O ATOM 1007 CB PHE A 63 -6.883 -1.804 -5.471 1.00 0.00 C ATOM 1008 CG PHE A 63 -6.206 -0.918 -4.462 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -4.850 -0.645 -4.554 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -6.928 -0.360 -3.422 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -4.228 0.170 -3.627 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -6.312 0.456 -2.493 1.00 0.00 C ATOM 1013 CZ PHE A 63 -4.962 0.721 -2.595 1.00 0.00 C ATOM 0 H PHE A 63 -5.991 -2.015 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.185 -3.118 -5.324 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -7.253 -1.188 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.751 -2.271 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.273 -1.074 -5.360 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.985 -0.565 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.171 0.375 -3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.887 0.887 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.480 1.359 -1.869 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.825 -4.240 -2.741 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.553 -3.735 -3.283 1.00 0.00 C ATOM 1166 C LEU A 72 0.418 -4.858 -3.672 1.00 0.00 C ATOM 1167 O LEU A 72 1.341 -5.189 -2.929 1.00 0.00 O ATOM 1168 CB LEU A 72 0.108 -2.792 -2.270 1.00 0.00 C ATOM 1169 CG LEU A 72 0.574 -3.453 -0.970 1.00 0.00 C ATOM 1170 CD1 LEU A 72 1.901 -2.867 -0.517 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -0.478 -3.288 0.113 1.00 0.00 C ATOM 0 HA LEU A 72 -0.789 -3.192 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.967 -2.318 -2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.597 -1.999 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 72 0.716 -4.517 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.215 -3.350 0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.654 -3.034 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.787 -1.796 -0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.133 -3.763 1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.649 -2.227 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.408 -3.755 -0.209 1.00 0.00 H new ATOM 1183 N LYS A 73 0.198 -5.434 -4.850 1.00 0.00 N ATOM 1184 CA LYS A 73 1.044 -6.513 -5.350 1.00 0.00 C ATOM 1185 C LYS A 73 2.204 -5.964 -6.164 1.00 0.00 C ATOM 1186 O LYS A 73 2.386 -4.753 -6.272 1.00 0.00 O ATOM 1187 CB LYS A 73 0.218 -7.480 -6.202 1.00 0.00 C ATOM 1188 CG LYS A 73 -0.323 -8.667 -5.420 1.00 0.00 C ATOM 1189 CD LYS A 73 0.793 -9.441 -4.732 1.00 0.00 C ATOM 1190 CE LYS A 73 0.589 -9.496 -3.227 1.00 0.00 C ATOM 1191 NZ LYS A 73 0.618 -8.140 -2.612 1.00 0.00 N ATOM 0 H LYS A 73 -0.561 -5.171 -5.478 1.00 0.00 H new ATOM 0 HA LYS A 73 1.451 -7.049 -4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.616 -6.938 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.835 -7.846 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.037 -8.317 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.865 -9.331 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.834 -10.454 -5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.752 -8.972 -4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.366 -9.974 -3.007 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.366 -10.115 -2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.326 -8.204 -1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.583 -7.755 -2.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.034 -7.512 -3.124 1.00 0.00 H new ATOM 1205 N GLU A 74 2.988 -6.873 -6.730 1.00 0.00 N ATOM 1206 CA GLU A 74 4.144 -6.501 -7.544 1.00 0.00 C ATOM 1207 C GLU A 74 3.801 -5.358 -8.495 1.00 0.00 C ATOM 1208 O GLU A 74 4.646 -4.524 -8.816 1.00 0.00 O ATOM 1209 CB GLU A 74 4.643 -7.709 -8.339 1.00 0.00 C ATOM 1210 CG GLU A 74 6.068 -7.556 -8.846 1.00 0.00 C ATOM 1211 CD GLU A 74 7.052 -7.251 -7.734 1.00 0.00 C ATOM 1212 OE1 GLU A 74 7.214 -6.060 -7.395 1.00 0.00 O ATOM 1213 OE2 GLU A 74 7.658 -8.203 -7.200 1.00 0.00 O ATOM 0 H GLU A 74 2.845 -7.879 -6.641 1.00 0.00 H new ATOM 0 HA GLU A 74 4.933 -6.163 -6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.583 -8.597 -7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.980 -7.874 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.370 -8.473 -9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.103 -6.757 -9.586 1.00 0.00 H new ATOM 1220 N ASN A 75 2.550 -5.327 -8.927 1.00 0.00 N ATOM 1221 CA ASN A 75 2.071 -4.285 -9.830 1.00 0.00 C ATOM 1222 C ASN A 75 1.942 -2.960 -9.093 1.00 0.00 C ATOM 1223 O ASN A 75 2.301 -1.904 -9.613 1.00 0.00 O ATOM 1224 CB ASN A 75 0.718 -4.682 -10.417 1.00 0.00 C ATOM 1225 CG ASN A 75 0.822 -5.859 -11.366 1.00 0.00 C ATOM 1226 OD1 ASN A 75 1.280 -5.717 -12.501 1.00 0.00 O ATOM 1227 ND2 ASN A 75 0.397 -7.029 -10.908 1.00 0.00 N ATOM 0 H ASN A 75 1.843 -6.014 -8.667 1.00 0.00 H new ATOM 0 HA ASN A 75 2.793 -4.169 -10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.033 -4.932 -9.607 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.290 -3.830 -10.945 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.442 -7.856 -11.503 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.025 -7.101 -9.961 1.00 0.00 H new ATOM 1234 N ALA A 76 1.415 -3.045 -7.878 1.00 0.00 N ATOM 1235 CA ALA A 76 1.201 -1.892 -7.010 1.00 0.00 C ATOM 1236 C ALA A 76 2.208 -0.780 -7.254 1.00 0.00 C ATOM 1237 O ALA A 76 3.385 -1.036 -7.503 1.00 0.00 O ATOM 1238 CB ALA A 76 1.240 -2.333 -5.557 1.00 0.00 C ATOM 0 H ALA A 76 1.120 -3.928 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 76 0.219 -1.482 -7.246 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.080 -1.470 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.457 -3.070 -5.379 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.211 -2.776 -5.337 1.00 0.00 H new ATOM 1244 N VAL A 77 1.716 0.453 -7.196 1.00 0.00 N ATOM 1245 CA VAL A 77 2.534 1.630 -7.426 1.00 0.00 C ATOM 1246 C VAL A 77 1.725 2.897 -7.101 1.00 0.00 C ATOM 1247 O VAL A 77 0.542 2.980 -7.432 1.00 0.00 O ATOM 1248 CB VAL A 77 2.990 1.671 -8.905 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.241 3.095 -9.388 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.229 0.817 -9.117 1.00 0.00 C ATOM 0 H VAL A 77 0.739 0.660 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 77 3.411 1.586 -6.780 1.00 0.00 H new ATOM 0 HB VAL A 77 2.174 1.260 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.559 3.075 -10.430 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.323 3.676 -9.300 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.021 3.553 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.528 0.863 -10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.040 1.190 -8.491 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.009 -0.216 -8.848 1.00 0.00 H new ATOM 1260 N PRO A 78 2.345 3.901 -6.454 1.00 0.00 N ATOM 1261 CA PRO A 78 1.675 5.155 -6.098 1.00 0.00 C ATOM 1262 C PRO A 78 1.708 6.193 -7.224 1.00 0.00 C ATOM 1263 O PRO A 78 1.806 7.390 -6.962 1.00 0.00 O ATOM 1264 CB PRO A 78 2.491 5.641 -4.917 1.00 0.00 C ATOM 1265 CG PRO A 78 3.878 5.165 -5.195 1.00 0.00 C ATOM 1266 CD PRO A 78 3.751 3.900 -6.012 1.00 0.00 C ATOM 0 HA PRO A 78 0.615 5.006 -5.891 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.455 6.727 -4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.113 5.234 -3.979 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.444 5.921 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.414 4.973 -4.266 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.436 3.902 -6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 78 3.982 3.016 -5.418 1.00 0.00 H new ATOM 1274 N THR A 79 1.643 5.707 -8.466 1.00 0.00 N ATOM 1275 CA THR A 79 1.671 6.535 -9.686 1.00 0.00 C ATOM 1276 C THR A 79 1.648 8.049 -9.433 1.00 0.00 C ATOM 1277 O THR A 79 2.500 8.775 -9.945 1.00 0.00 O ATOM 1278 CB THR A 79 0.497 6.159 -10.591 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.731 6.565 -10.013 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.405 4.673 -10.866 1.00 0.00 C ATOM 0 H THR A 79 1.568 4.709 -8.661 1.00 0.00 H new ATOM 0 HA THR A 79 2.627 6.322 -10.164 1.00 0.00 H new ATOM 0 HB THR A 79 0.681 6.676 -11.533 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.451 6.464 -10.670 1.00 0.00 H new ATOM 0 HG21 THR A 79 -0.449 4.475 -11.514 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.318 4.337 -11.357 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.279 4.136 -9.926 1.00 0.00 H new ATOM 1288 N ILE A 80 0.655 8.525 -8.682 1.00 0.00 N ATOM 1289 CA ILE A 80 0.508 9.948 -8.410 1.00 0.00 C ATOM 1290 C ILE A 80 1.845 10.651 -8.145 1.00 0.00 C ATOM 1291 O ILE A 80 2.030 11.804 -8.537 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.466 10.195 -7.252 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.875 10.138 -7.817 1.00 0.00 C ATOM 1294 CG2 ILE A 80 -0.221 11.545 -6.581 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.942 10.310 -6.779 1.00 0.00 C ATOM 0 H ILE A 80 -0.061 7.940 -8.251 1.00 0.00 H new ATOM 0 HA ILE A 80 0.095 10.386 -9.318 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.319 9.433 -6.487 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.986 10.915 -8.573 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.018 9.181 -8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.932 11.681 -5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.794 11.576 -6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.350 12.343 -7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.922 10.259 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.857 9.518 -6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.824 11.279 -6.293 1.00 0.00 H new ATOM 1307 N PHE A 81 2.777 9.962 -7.488 1.00 0.00 N ATOM 1308 CA PHE A 81 4.077 10.540 -7.194 1.00 0.00 C ATOM 1309 C PHE A 81 5.164 9.948 -8.090 1.00 0.00 C ATOM 1310 O PHE A 81 6.284 10.458 -8.139 1.00 0.00 O ATOM 1311 CB PHE A 81 4.456 10.358 -5.717 1.00 0.00 C ATOM 1312 CG PHE A 81 3.392 10.794 -4.751 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.143 10.199 -4.760 1.00 0.00 C ATOM 1314 CD2 PHE A 81 3.648 11.796 -3.829 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.170 10.593 -3.869 1.00 0.00 C ATOM 1316 CE2 PHE A 81 2.674 12.196 -2.935 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.433 11.592 -2.955 1.00 0.00 C ATOM 0 H PHE A 81 2.652 9.007 -7.152 1.00 0.00 H new ATOM 0 HA PHE A 81 4.002 11.608 -7.398 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.684 9.307 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.367 10.921 -5.515 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.929 9.417 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.619 12.269 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.200 10.119 -3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.883 12.980 -2.222 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.670 11.901 -2.256 1.00 0.00 H new ATOM 1327 N LEU A 82 4.830 8.874 -8.801 1.00 0.00 N ATOM 1328 CA LEU A 82 5.778 8.221 -9.697 1.00 0.00 C ATOM 1329 C LEU A 82 6.318 9.212 -10.726 1.00 0.00 C ATOM 1330 O LEU A 82 5.633 10.164 -11.101 1.00 0.00 O ATOM 1331 CB LEU A 82 5.104 7.042 -10.404 1.00 0.00 C ATOM 1332 CG LEU A 82 5.997 6.268 -11.377 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.737 5.150 -10.653 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.169 5.708 -12.525 1.00 0.00 C ATOM 0 H LEU A 82 3.908 8.438 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 82 6.615 7.850 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.733 6.350 -9.648 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.237 7.414 -10.949 1.00 0.00 H new ATOM 0 HG LEU A 82 6.737 6.955 -11.788 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.366 4.612 -11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.359 5.576 -9.866 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.016 4.462 -10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.818 5.160 -13.208 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.408 5.035 -12.130 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.688 6.527 -13.060 1.00 0.00 H new