USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -2.62! C(o=-3!,f=-3.9!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.413 K(o=-3,f=-6.3!) USER MOD Set 2.1: A 49 GLN : amide:sc= 0.443 K(o=1,f=-1.8) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.553 K(o=1,f=-2.3) USER MOD Set 3.1: A 21 THR OG1 : rot -110:sc= -0.224 USER MOD Set 3.2: A 33 THR OG1 : rot -130:sc= -0.203 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -112:sc= 2.01 USER MOD Single : A 13 GLN : amide:sc= 1.12 K(o=1.1,f=-0.073) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.401 K(o=-0.4,f=-2) USER MOD Single : A 16 ASN : amide:sc= -0.18 K(o=-0.18,f=-2.4!) USER MOD Single : A 20 SER OG : rot -88:sc= 1.25 USER MOD Single : A 26 HIS : no HE2:sc= -0.546 X(o=-0.55,f=-0.99) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0.813 (180deg=0.786) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 81:sc= 2.08 USER MOD Single : A 64 SER OG : rot 180:sc= -0.24 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0606 USER MOD Single : A 71 SER OG : rot -82:sc= 0.951 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.646 K(o=-0.65,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.952 -8.688 -14.320 1.00 10.00 N ATOM 30 CA LYS A 5 -2.988 -9.526 -13.768 1.00 10.00 C ATOM 31 C LYS A 5 -3.417 -8.871 -12.472 1.00 10.00 C ATOM 32 O LYS A 5 -2.644 -8.789 -11.521 1.00 10.00 O ATOM 33 CB LYS A 5 -2.524 -10.979 -13.597 1.00 10.00 C ATOM 34 CG LYS A 5 -3.706 -11.816 -13.083 1.00 10.00 C ATOM 35 CD LYS A 5 -3.572 -13.311 -13.408 1.00 10.00 C ATOM 36 CE LYS A 5 -4.968 -13.960 -13.453 1.00 10.00 C ATOM 37 NZ LYS A 5 -4.970 -15.353 -12.962 1.00 10.00 N ATOM 0 HA LYS A 5 -3.840 -9.603 -14.444 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -2.165 -11.375 -14.547 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -1.691 -11.030 -12.895 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -3.790 -11.691 -12.003 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.630 -11.437 -13.520 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.069 -13.441 -14.366 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -2.956 -13.803 -12.655 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -5.658 -13.367 -12.853 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -5.339 -13.941 -14.478 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -5.934 -15.738 -13.015 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -4.334 -15.929 -13.549 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -4.643 -15.374 -11.975 1.00 10.00 H new ATOM 51 N TYR A 6 -4.638 -8.350 -12.485 1.00 10.00 N ATOM 52 CA TYR A 6 -5.224 -7.702 -11.337 1.00 10.00 C ATOM 53 C TYR A 6 -5.334 -8.696 -10.173 1.00 10.00 C ATOM 54 O TYR A 6 -5.295 -9.908 -10.392 1.00 10.00 O ATOM 55 CB TYR A 6 -6.589 -7.158 -11.756 1.00 10.00 C ATOM 56 CG TYR A 6 -6.628 -6.345 -13.038 1.00 10.00 C ATOM 57 CD1 TYR A 6 -5.842 -5.188 -13.162 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.496 -6.711 -14.084 1.00 10.00 C ATOM 59 CE1 TYR A 6 -5.974 -4.361 -14.291 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.631 -5.883 -15.212 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.881 -4.698 -15.307 1.00 10.00 C ATOM 62 OH TYR A 6 -7.024 -3.881 -16.388 1.00 10.00 O ATOM 0 H TYR A 6 -5.247 -8.370 -13.303 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.602 -6.877 -10.990 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.273 -7.999 -11.864 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.973 -6.537 -10.946 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.134 -4.933 -12.388 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -8.060 -7.630 -14.020 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.377 -3.465 -14.376 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -8.311 -6.157 -16.005 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.691 -4.260 -16.998 1.00 10.00 H new ATOM 72 N TYR A 7 -5.470 -8.190 -8.946 1.00 10.00 N ATOM 73 CA TYR A 7 -5.457 -8.995 -7.731 1.00 10.00 C ATOM 74 C TYR A 7 -6.775 -8.819 -6.984 1.00 10.00 C ATOM 75 O TYR A 7 -7.284 -7.702 -6.886 1.00 10.00 O ATOM 76 CB TYR A 7 -4.306 -8.537 -6.843 1.00 10.00 C ATOM 77 CG TYR A 7 -2.944 -8.565 -7.506 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.268 -9.786 -7.673 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.386 -7.382 -8.023 1.00 10.00 C ATOM 80 CE1 TYR A 7 -1.076 -9.836 -8.418 1.00 10.00 C ATOM 81 CE2 TYR A 7 -1.199 -7.432 -8.773 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.547 -8.659 -8.975 1.00 10.00 C ATOM 83 OH TYR A 7 0.639 -8.691 -9.645 1.00 10.00 O ATOM 0 H TYR A 7 -5.594 -7.193 -8.770 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.329 -10.046 -7.990 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.509 -7.521 -6.504 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.276 -9.169 -5.956 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.664 -10.687 -7.229 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.871 -6.434 -7.843 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.568 -10.778 -8.562 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.788 -6.526 -9.194 1.00 10.00 H new ATOM 0 HH TYR A 7 0.858 -7.791 -9.966 1.00 10.00 H new ATOM 93 N THR A 8 -7.341 -9.919 -6.492 1.00 10.00 N ATOM 94 CA THR A 8 -8.577 -9.900 -5.720 1.00 10.00 C ATOM 95 C THR A 8 -8.295 -9.360 -4.319 1.00 10.00 C ATOM 96 O THR A 8 -7.166 -9.458 -3.841 1.00 10.00 O ATOM 97 CB THR A 8 -9.174 -11.314 -5.632 1.00 10.00 C ATOM 98 OG1 THR A 8 -8.440 -12.101 -4.713 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.236 -12.002 -7.000 1.00 10.00 C ATOM 0 H THR A 8 -6.951 -10.853 -6.620 1.00 10.00 H new ATOM 0 HA THR A 8 -9.298 -9.252 -6.218 1.00 10.00 H new ATOM 0 HB THR A 8 -10.199 -11.213 -5.276 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.961 -12.806 -5.196 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.665 -12.998 -6.887 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.857 -11.414 -7.675 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.230 -12.084 -7.412 1.00 10.00 H new ATOM 107 N LEU A 9 -9.316 -8.846 -3.627 1.00 10.00 N ATOM 108 CA LEU A 9 -9.168 -8.429 -2.241 1.00 10.00 C ATOM 109 C LEU A 9 -8.576 -9.566 -1.406 1.00 10.00 C ATOM 110 O LEU A 9 -7.736 -9.317 -0.550 1.00 10.00 O ATOM 111 CB LEU A 9 -10.521 -7.982 -1.672 1.00 10.00 C ATOM 112 CG LEU A 9 -10.452 -6.589 -1.016 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.850 -6.125 -0.592 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.536 -6.562 0.216 1.00 10.00 C ATOM 0 H LEU A 9 -10.252 -8.711 -4.009 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.484 -7.582 -2.200 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.261 -7.968 -2.472 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.861 -8.711 -0.936 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.037 -5.918 -1.768 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.782 -5.140 -0.131 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.497 -6.072 -1.468 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.267 -6.833 0.124 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.524 -5.557 0.639 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.908 -7.265 0.961 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.525 -6.845 -0.076 1.00 10.00 H new ATOM 126 N GLU A 10 -8.997 -10.808 -1.669 1.00 10.00 N ATOM 127 CA GLU A 10 -8.455 -11.992 -1.012 1.00 10.00 C ATOM 128 C GLU A 10 -6.950 -12.086 -1.245 1.00 10.00 C ATOM 129 O GLU A 10 -6.168 -12.087 -0.297 1.00 10.00 O ATOM 130 CB GLU A 10 -9.158 -13.255 -1.517 1.00 10.00 C ATOM 131 CG GLU A 10 -8.812 -14.502 -0.680 1.00 10.00 C ATOM 132 CD GLU A 10 -9.288 -14.440 0.769 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.449 -14.029 0.970 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.486 -14.827 1.651 1.00 10.00 O ATOM 0 H GLU A 10 -9.728 -11.016 -2.349 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.634 -11.906 0.060 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.236 -13.098 -1.499 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.879 -13.431 -2.556 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.251 -15.378 -1.157 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.731 -14.642 -0.689 1.00 10.00 H new ATOM 141 N GLU A 11 -6.535 -12.159 -2.511 1.00 10.00 N ATOM 142 CA GLU A 11 -5.124 -12.228 -2.854 1.00 10.00 C ATOM 143 C GLU A 11 -4.358 -11.106 -2.149 1.00 10.00 C ATOM 144 O GLU A 11 -3.343 -11.353 -1.506 1.00 10.00 O ATOM 145 CB GLU A 11 -4.937 -12.162 -4.376 1.00 10.00 C ATOM 146 CG GLU A 11 -4.690 -13.548 -4.988 1.00 10.00 C ATOM 147 CD GLU A 11 -5.913 -14.444 -4.889 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.926 -14.069 -5.522 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.811 -15.476 -4.193 1.00 10.00 O ATOM 0 H GLU A 11 -7.163 -12.172 -3.314 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.721 -13.181 -2.512 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.823 -11.718 -4.831 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -4.097 -11.508 -4.610 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.407 -13.436 -6.035 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.851 -14.024 -4.480 1.00 10.00 H new ATOM 156 N ILE A 12 -4.851 -9.871 -2.228 1.00 10.00 N ATOM 157 CA ILE A 12 -4.217 -8.759 -1.538 1.00 10.00 C ATOM 158 C ILE A 12 -4.162 -9.005 -0.016 1.00 10.00 C ATOM 159 O ILE A 12 -3.104 -8.849 0.592 1.00 10.00 O ATOM 160 CB ILE A 12 -4.869 -7.424 -1.963 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.832 -7.199 -3.486 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.146 -6.230 -1.331 1.00 10.00 C ATOM 163 CD1 ILE A 12 -3.409 -7.258 -4.027 1.00 10.00 C ATOM 0 H ILE A 12 -5.684 -9.620 -2.761 1.00 10.00 H new ATOM 0 HA ILE A 12 -3.172 -8.682 -1.839 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.902 -7.493 -1.624 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.442 -7.955 -3.981 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -5.272 -6.230 -3.722 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.627 -5.304 -1.648 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.193 -6.310 -0.245 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -3.104 -6.225 -1.650 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -3.422 -7.095 -5.105 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -2.806 -6.485 -3.550 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -2.979 -8.237 -3.813 1.00 10.00 H new ATOM 175 N GLN A 13 -5.257 -9.453 0.607 1.00 10.00 N ATOM 176 CA GLN A 13 -5.312 -9.849 2.006 1.00 10.00 C ATOM 177 C GLN A 13 -4.293 -10.946 2.337 1.00 10.00 C ATOM 178 O GLN A 13 -3.781 -10.973 3.452 1.00 10.00 O ATOM 179 CB GLN A 13 -6.733 -10.299 2.374 1.00 10.00 C ATOM 180 CG GLN A 13 -7.723 -9.147 2.615 1.00 10.00 C ATOM 181 CD GLN A 13 -8.261 -9.142 4.049 1.00 10.00 C ATOM 182 OE1 GLN A 13 -8.854 -10.117 4.498 1.00 10.00 O ATOM 183 NE2 GLN A 13 -8.071 -8.058 4.792 1.00 10.00 N ATOM 0 H GLN A 13 -6.154 -9.551 0.131 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.048 -8.977 2.605 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.119 -10.932 1.575 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.685 -10.914 3.273 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.230 -8.197 2.410 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.555 -9.232 1.916 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -7.576 -7.255 4.405 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.420 -8.029 5.750 1.00 10.00 H new ATOM 192 N LYS A 14 -3.967 -11.849 1.406 1.00 10.00 N ATOM 193 CA LYS A 14 -2.932 -12.851 1.646 1.00 10.00 C ATOM 194 C LYS A 14 -1.541 -12.218 1.832 1.00 10.00 C ATOM 195 O LYS A 14 -0.629 -12.898 2.306 1.00 10.00 O ATOM 196 CB LYS A 14 -2.926 -13.923 0.535 1.00 10.00 C ATOM 197 CG LYS A 14 -4.211 -14.759 0.463 1.00 10.00 C ATOM 198 CD LYS A 14 -4.320 -15.754 1.630 1.00 10.00 C ATOM 199 CE LYS A 14 -5.768 -15.791 2.138 1.00 10.00 C ATOM 200 NZ LYS A 14 -5.892 -16.358 3.492 1.00 10.00 N ATOM 0 H LYS A 14 -4.404 -11.904 0.486 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.177 -13.347 2.585 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.770 -13.434 -0.426 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.079 -14.591 0.694 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.076 -14.095 0.471 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.236 -15.304 -0.481 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -4.012 -16.748 1.305 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -3.648 -15.460 2.436 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -6.173 -14.779 2.136 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -6.374 -16.378 1.448 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -6.892 -16.356 3.779 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -5.533 -17.334 3.494 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -5.339 -15.785 4.160 1.00 10.00 H new ATOM 214 N HIS A 15 -1.356 -10.944 1.459 1.00 10.00 N ATOM 215 CA HIS A 15 -0.091 -10.229 1.548 1.00 10.00 C ATOM 216 C HIS A 15 -0.209 -9.123 2.613 1.00 10.00 C ATOM 217 O HIS A 15 -0.411 -7.952 2.282 1.00 10.00 O ATOM 218 CB HIS A 15 0.290 -9.677 0.159 1.00 10.00 C ATOM 219 CG HIS A 15 0.643 -10.701 -0.898 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.725 -10.638 -1.750 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.118 -11.765 -1.299 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.627 -11.659 -2.617 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.528 -12.387 -2.371 1.00 10.00 N ATOM 0 H HIS A 15 -2.109 -10.372 1.077 1.00 10.00 H new ATOM 0 HA HIS A 15 0.710 -10.900 1.858 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.542 -9.077 -0.210 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.139 -9.004 0.280 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.057 -12.072 -0.862 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.336 -11.866 -3.405 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.225 -13.226 -2.866 1.00 10.00 H new ATOM 231 N ASN A 16 -0.056 -9.488 3.898 1.00 10.00 N ATOM 232 CA ASN A 16 -0.078 -8.536 5.018 1.00 10.00 C ATOM 233 C ASN A 16 0.498 -9.104 6.321 1.00 10.00 C ATOM 234 O ASN A 16 0.043 -8.761 7.411 1.00 10.00 O ATOM 235 CB ASN A 16 -1.501 -8.012 5.253 1.00 10.00 C ATOM 236 CG ASN A 16 -2.515 -9.100 5.596 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.158 -10.247 5.857 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.796 -8.743 5.578 1.00 10.00 N ATOM 0 H ASN A 16 0.087 -10.455 4.188 1.00 10.00 H new ATOM 0 HA ASN A 16 0.575 -7.714 4.725 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -1.479 -7.282 6.062 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -1.836 -7.487 4.359 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -4.520 -9.431 5.785 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.054 -7.781 5.357 1.00 10.00 H new ATOM 292 N SER A 20 4.606 -9.752 2.319 1.00 10.00 N ATOM 293 CA SER A 20 4.525 -8.639 1.400 1.00 10.00 C ATOM 294 C SER A 20 3.501 -7.677 1.984 1.00 10.00 C ATOM 295 O SER A 20 2.342 -8.046 2.088 1.00 10.00 O ATOM 296 CB SER A 20 4.132 -9.126 0.001 1.00 10.00 C ATOM 297 OG SER A 20 5.190 -8.954 -0.927 1.00 10.00 O ATOM 0 HA SER A 20 5.486 -8.138 1.283 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.854 -10.179 0.046 1.00 10.00 H new ATOM 0 HB3 SER A 20 3.254 -8.579 -0.342 1.00 10.00 H new ATOM 0 HG SER A 20 5.131 -8.062 -1.328 1.00 10.00 H new ATOM 303 N THR A 21 3.893 -6.481 2.408 1.00 10.00 N ATOM 304 CA THR A 21 2.939 -5.430 2.726 1.00 10.00 C ATOM 305 C THR A 21 2.326 -4.899 1.429 1.00 10.00 C ATOM 306 O THR A 21 2.864 -3.969 0.822 1.00 10.00 O ATOM 307 CB THR A 21 3.662 -4.337 3.510 1.00 10.00 C ATOM 308 OG1 THR A 21 4.361 -4.967 4.562 1.00 10.00 O ATOM 309 CG2 THR A 21 2.713 -3.300 4.097 1.00 10.00 C ATOM 0 H THR A 21 4.869 -6.216 2.539 1.00 10.00 H new ATOM 0 HA THR A 21 2.125 -5.810 3.344 1.00 10.00 H new ATOM 0 HB THR A 21 4.326 -3.805 2.828 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.939 -4.741 5.417 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.286 -2.550 4.642 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.158 -2.818 3.292 1.00 10.00 H new ATOM 0 HG23 THR A 21 2.015 -3.789 4.777 1.00 10.00 H new ATOM 317 N TRP A 22 1.220 -5.514 1.000 1.00 10.00 N ATOM 318 CA TRP A 22 0.387 -5.009 -0.084 1.00 10.00 C ATOM 319 C TRP A 22 -0.785 -4.243 0.519 1.00 10.00 C ATOM 320 O TRP A 22 -0.920 -4.199 1.737 1.00 10.00 O ATOM 321 CB TRP A 22 -0.108 -6.179 -0.935 1.00 10.00 C ATOM 322 CG TRP A 22 0.922 -6.866 -1.776 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.252 -6.683 -1.703 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.726 -7.769 -2.900 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.879 -7.379 -2.707 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.981 -8.033 -3.516 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.393 -8.407 -3.449 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.103 -8.826 -4.666 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.310 -9.138 -4.643 1.00 10.00 C ATOM 330 CH2 TRP A 22 0.939 -9.351 -5.256 1.00 10.00 C ATOM 0 H TRP A 22 0.878 -6.386 1.403 1.00 10.00 H new ATOM 0 HA TRP A 22 0.960 -4.339 -0.725 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.558 -6.918 -0.272 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.899 -5.815 -1.591 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.754 -6.077 -0.963 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.890 -7.407 -2.837 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.343 -8.334 -2.941 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.074 -9.030 -5.092 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.206 -9.538 -5.093 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.003 -9.915 -6.175 1.00 10.00 H new ATOM 341 N LEU A 23 -1.632 -3.635 -0.314 1.00 10.00 N ATOM 342 CA LEU A 23 -2.829 -2.902 0.077 1.00 10.00 C ATOM 343 C LEU A 23 -3.483 -2.371 -1.194 1.00 10.00 C ATOM 344 O LEU A 23 -2.862 -2.436 -2.257 1.00 10.00 O ATOM 345 CB LEU A 23 -2.538 -1.778 1.088 1.00 10.00 C ATOM 346 CG LEU A 23 -1.207 -1.036 0.890 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.204 -0.143 -0.347 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.933 -0.165 2.112 1.00 10.00 C ATOM 0 H LEU A 23 -1.492 -3.643 -1.324 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.510 -3.575 0.598 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.349 -1.051 1.040 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.550 -2.204 2.091 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.436 -1.795 0.756 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.238 0.355 -0.434 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.381 -0.750 -1.235 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.991 0.606 -0.257 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.010 0.364 1.977 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.740 0.557 2.232 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.873 -0.793 3.001 1.00 10.00 H new ATOM 360 N ILE A 24 -4.715 -1.862 -1.090 1.00 10.00 N ATOM 361 CA ILE A 24 -5.414 -1.216 -2.193 1.00 10.00 C ATOM 362 C ILE A 24 -5.584 0.260 -1.848 1.00 10.00 C ATOM 363 O ILE A 24 -6.110 0.598 -0.786 1.00 10.00 O ATOM 364 CB ILE A 24 -6.756 -1.912 -2.460 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.497 -3.329 -2.998 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.608 -1.142 -3.481 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.504 -4.310 -2.390 1.00 10.00 C ATOM 0 H ILE A 24 -5.256 -1.890 -0.226 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.838 -1.297 -3.115 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.303 -1.949 -1.518 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.581 -3.336 -4.085 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.481 -3.640 -2.754 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.549 -1.669 -3.641 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.813 -0.141 -3.103 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.068 -1.070 -4.425 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.314 -5.312 -2.776 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.399 -4.313 -1.305 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.516 -4.004 -2.656 1.00 10.00 H new ATOM 379 N LEU A 25 -5.104 1.117 -2.751 1.00 10.00 N ATOM 380 CA LEU A 25 -5.261 2.560 -2.733 1.00 10.00 C ATOM 381 C LEU A 25 -5.940 2.915 -4.056 1.00 10.00 C ATOM 382 O LEU A 25 -5.334 2.780 -5.116 1.00 10.00 O ATOM 383 CB LEU A 25 -3.876 3.229 -2.661 1.00 10.00 C ATOM 384 CG LEU A 25 -3.221 3.545 -1.314 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.765 2.693 -0.193 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.687 3.526 -1.403 1.00 10.00 C ATOM 0 H LEU A 25 -4.566 0.798 -3.557 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.843 2.898 -1.875 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.184 2.590 -3.210 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.946 4.168 -3.210 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.495 4.569 -1.059 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.267 2.957 0.740 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.837 2.864 -0.093 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.585 1.641 -0.415 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.263 3.755 -0.425 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.353 2.538 -1.721 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.355 4.271 -2.126 1.00 10.00 H new ATOM 398 N HIS A 26 -7.200 3.346 -4.014 1.00 10.00 N ATOM 399 CA HIS A 26 -7.945 3.828 -5.172 1.00 10.00 C ATOM 400 C HIS A 26 -7.982 2.768 -6.276 1.00 10.00 C ATOM 401 O HIS A 26 -7.667 3.055 -7.430 1.00 10.00 O ATOM 402 CB HIS A 26 -7.383 5.159 -5.701 1.00 10.00 C ATOM 403 CG HIS A 26 -7.150 6.217 -4.654 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.051 7.156 -4.204 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.967 6.436 -4.008 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.414 7.919 -3.296 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.140 7.520 -3.145 1.00 10.00 N ATOM 0 H HIS A 26 -7.743 3.369 -3.151 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.968 4.017 -4.846 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.440 4.960 -6.210 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.071 5.555 -6.448 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.021 7.255 -4.503 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.057 5.870 -4.141 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.866 8.741 -2.761 1.00 10.00 H new ATOM 415 N TYR A 27 -8.370 1.540 -5.919 1.00 10.00 N ATOM 416 CA TYR A 27 -8.506 0.416 -6.841 1.00 10.00 C ATOM 417 C TYR A 27 -7.161 -0.018 -7.459 1.00 10.00 C ATOM 418 O TYR A 27 -7.156 -0.793 -8.418 1.00 10.00 O ATOM 419 CB TYR A 27 -9.567 0.717 -7.922 1.00 10.00 C ATOM 420 CG TYR A 27 -10.909 1.229 -7.412 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.125 2.607 -7.216 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.970 0.332 -7.190 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.348 3.064 -6.694 1.00 10.00 C ATOM 424 CE2 TYR A 27 -13.196 0.787 -6.679 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.376 2.152 -6.405 1.00 10.00 C ATOM 426 OH TYR A 27 -14.561 2.602 -5.906 1.00 10.00 O ATOM 0 H TYR A 27 -8.603 1.297 -4.956 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.853 -0.436 -6.256 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.156 1.455 -8.611 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.741 -0.193 -8.496 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.349 3.315 -7.467 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.840 -0.716 -7.415 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.497 4.119 -6.515 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.999 0.088 -6.497 1.00 10.00 H new ATOM 0 HH TYR A 27 -15.165 1.843 -5.762 1.00 10.00 H new ATOM 436 N LYS A 28 -6.024 0.460 -6.930 1.00 10.00 N ATOM 437 CA LYS A 28 -4.686 0.178 -7.440 1.00 10.00 C ATOM 438 C LYS A 28 -3.849 -0.446 -6.320 1.00 10.00 C ATOM 439 O LYS A 28 -3.976 -0.032 -5.165 1.00 10.00 O ATOM 440 CB LYS A 28 -4.053 1.476 -7.963 1.00 10.00 C ATOM 441 CG LYS A 28 -4.848 2.064 -9.136 1.00 10.00 C ATOM 442 CD LYS A 28 -4.420 3.505 -9.431 1.00 10.00 C ATOM 443 CE LYS A 28 -5.361 4.152 -10.460 1.00 10.00 C ATOM 444 NZ LYS A 28 -5.265 3.533 -11.801 1.00 10.00 N ATOM 0 H LYS A 28 -6.017 1.070 -6.113 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.733 -0.528 -8.269 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.002 2.207 -7.156 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -3.029 1.279 -8.280 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.699 1.449 -10.024 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.913 2.039 -8.905 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.426 4.087 -8.509 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.398 3.516 -9.809 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -6.388 4.076 -10.103 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.129 5.214 -10.539 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.991 3.940 -12.424 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.323 3.717 -12.201 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.413 2.507 -11.721 1.00 10.00 H new ATOM 458 N VAL A 29 -3.033 -1.458 -6.649 1.00 10.00 N ATOM 459 CA VAL A 29 -2.252 -2.212 -5.680 1.00 10.00 C ATOM 460 C VAL A 29 -0.788 -1.760 -5.694 1.00 10.00 C ATOM 461 O VAL A 29 -0.194 -1.561 -6.759 1.00 10.00 O ATOM 462 CB VAL A 29 -2.357 -3.709 -5.991 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.741 -4.521 -4.847 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.816 -4.143 -6.156 1.00 10.00 C ATOM 0 H VAL A 29 -2.901 -1.773 -7.610 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.650 -2.026 -4.682 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.823 -3.890 -6.924 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.818 -5.585 -5.073 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.692 -4.250 -4.732 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.274 -4.307 -3.921 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.856 -5.210 -6.376 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.362 -3.942 -5.234 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.271 -3.587 -6.976 1.00 10.00 H new ATOM 474 N TYR A 30 -0.209 -1.639 -4.496 1.00 10.00 N ATOM 475 CA TYR A 30 1.148 -1.178 -4.251 1.00 10.00 C ATOM 476 C TYR A 30 1.835 -2.163 -3.301 1.00 10.00 C ATOM 477 O TYR A 30 1.363 -2.312 -2.175 1.00 10.00 O ATOM 478 CB TYR A 30 1.047 0.215 -3.613 1.00 10.00 C ATOM 479 CG TYR A 30 0.383 1.239 -4.515 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.139 1.899 -5.498 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.012 1.421 -4.473 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.512 2.783 -6.394 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.638 2.279 -5.394 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.875 2.976 -6.340 1.00 10.00 C ATOM 485 OH TYR A 30 -1.476 3.847 -7.201 1.00 10.00 O ATOM 0 H TYR A 30 -0.702 -1.872 -3.634 1.00 10.00 H new ATOM 0 HA TYR A 30 1.731 -1.122 -5.170 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.485 0.141 -2.682 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.047 0.562 -3.354 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.203 1.727 -5.566 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.602 0.901 -3.733 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.101 3.315 -7.126 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.711 2.401 -5.372 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.441 3.862 -7.031 1.00 10.00 H new ATOM 495 N ASP A 31 2.928 -2.821 -3.719 1.00 10.00 N ATOM 496 CA ASP A 31 3.810 -3.502 -2.767 1.00 10.00 C ATOM 497 C ASP A 31 4.746 -2.445 -2.203 1.00 10.00 C ATOM 498 O ASP A 31 5.363 -1.709 -2.972 1.00 10.00 O ATOM 499 CB ASP A 31 4.642 -4.631 -3.399 1.00 10.00 C ATOM 500 CG ASP A 31 5.501 -5.352 -2.350 1.00 10.00 C ATOM 501 OD1 ASP A 31 6.344 -4.677 -1.726 1.00 10.00 O ATOM 502 OD2 ASP A 31 5.295 -6.571 -2.145 1.00 10.00 O ATOM 0 H ASP A 31 3.216 -2.894 -4.695 1.00 10.00 H new ATOM 0 HA ASP A 31 3.194 -3.975 -2.002 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.977 -5.348 -3.882 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.285 -4.219 -4.177 1.00 10.00 H new ATOM 507 N LEU A 32 4.827 -2.345 -0.875 1.00 10.00 N ATOM 508 CA LEU A 32 5.772 -1.463 -0.210 1.00 10.00 C ATOM 509 C LEU A 32 6.491 -2.253 0.888 1.00 10.00 C ATOM 510 O LEU A 32 6.929 -1.696 1.893 1.00 10.00 O ATOM 511 CB LEU A 32 5.022 -0.251 0.356 1.00 10.00 C ATOM 512 CG LEU A 32 4.062 0.433 -0.651 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.743 0.811 0.019 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.773 1.614 -1.317 1.00 10.00 C ATOM 0 H LEU A 32 4.236 -2.876 -0.235 1.00 10.00 H new ATOM 0 HA LEU A 32 6.520 -1.092 -0.911 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.450 -0.568 1.228 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.750 0.483 0.702 1.00 10.00 H new ATOM 0 HG LEU A 32 3.796 -0.267 -1.443 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.089 1.289 -0.710 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.261 -0.087 0.406 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.937 1.501 0.840 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.097 2.094 -2.025 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.073 2.334 -0.556 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.657 1.256 -1.845 1.00 10.00 H new ATOM 526 N THR A 33 6.606 -3.571 0.710 1.00 10.00 N ATOM 527 CA THR A 33 7.115 -4.480 1.725 1.00 10.00 C ATOM 528 C THR A 33 8.578 -4.182 2.016 1.00 10.00 C ATOM 529 O THR A 33 9.002 -4.100 3.166 1.00 10.00 O ATOM 530 CB THR A 33 6.874 -5.937 1.305 1.00 10.00 C ATOM 531 OG1 THR A 33 6.790 -6.706 2.491 1.00 10.00 O ATOM 532 CG2 THR A 33 7.919 -6.556 0.369 1.00 10.00 C ATOM 0 H THR A 33 6.343 -4.038 -0.158 1.00 10.00 H new ATOM 0 HA THR A 33 6.571 -4.327 2.657 1.00 10.00 H new ATOM 0 HB THR A 33 5.957 -5.940 0.716 1.00 10.00 H new ATOM 0 HG1 THR A 33 7.381 -7.484 2.419 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.641 -7.586 0.143 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.965 -5.981 -0.556 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.895 -6.542 0.853 1.00 10.00 H new ATOM 540 N LYS A 34 9.337 -3.928 0.951 1.00 10.00 N ATOM 541 CA LYS A 34 10.716 -3.484 1.041 1.00 10.00 C ATOM 542 C LYS A 34 10.732 -1.959 1.059 1.00 10.00 C ATOM 543 O LYS A 34 11.643 -1.335 0.523 1.00 10.00 O ATOM 544 CB LYS A 34 11.512 -4.112 -0.112 1.00 10.00 C ATOM 545 CG LYS A 34 11.772 -5.596 0.195 1.00 10.00 C ATOM 546 CD LYS A 34 11.453 -6.499 -1.001 1.00 10.00 C ATOM 547 CE LYS A 34 11.798 -7.953 -0.644 1.00 10.00 C ATOM 548 NZ LYS A 34 11.353 -8.906 -1.682 1.00 10.00 N ATOM 0 H LYS A 34 9.002 -4.028 -0.007 1.00 10.00 H new ATOM 0 HA LYS A 34 11.200 -3.811 1.961 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.959 -4.014 -1.046 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.457 -3.586 -0.245 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.816 -5.729 0.480 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.167 -5.900 1.049 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.398 -6.417 -1.262 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.023 -6.181 -1.874 1.00 10.00 H new ATOM 0 HE2 LYS A 34 12.875 -8.045 -0.507 1.00 10.00 H new ATOM 0 HE3 LYS A 34 11.332 -8.212 0.307 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 11.607 -9.873 -1.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.321 -8.839 -1.796 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 11.816 -8.678 -2.585 1.00 10.00 H new ATOM 562 N PHE A 35 9.713 -1.364 1.688 1.00 10.00 N ATOM 563 CA PHE A 35 9.643 0.055 1.938 1.00 10.00 C ATOM 564 C PHE A 35 9.045 0.358 3.312 1.00 10.00 C ATOM 565 O PHE A 35 8.729 1.506 3.575 1.00 10.00 O ATOM 566 CB PHE A 35 8.833 0.730 0.828 1.00 10.00 C ATOM 567 CG PHE A 35 9.345 2.107 0.437 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.695 2.274 0.067 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.498 3.231 0.495 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.195 3.550 -0.234 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.997 4.508 0.179 1.00 10.00 C ATOM 572 CZ PHE A 35 10.347 4.668 -0.182 1.00 10.00 C ATOM 0 H PHE A 35 8.904 -1.877 2.039 1.00 10.00 H new ATOM 0 HA PHE A 35 10.657 0.456 1.938 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.839 0.088 -0.053 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.796 0.818 1.152 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.348 1.415 0.015 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.464 3.112 0.783 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.233 3.672 -0.506 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.343 5.366 0.214 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.731 5.649 -0.419 1.00 10.00 H new ATOM 582 N LEU A 36 8.868 -0.627 4.197 1.00 10.00 N ATOM 583 CA LEU A 36 8.242 -0.391 5.494 1.00 10.00 C ATOM 584 C LEU A 36 9.020 0.640 6.318 1.00 10.00 C ATOM 585 O LEU A 36 8.529 1.741 6.543 1.00 10.00 O ATOM 586 CB LEU A 36 8.103 -1.719 6.239 1.00 10.00 C ATOM 587 CG LEU A 36 7.037 -2.633 5.622 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.162 -4.013 6.276 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.643 -2.046 5.859 1.00 10.00 C ATOM 0 H LEU A 36 9.150 -1.594 4.036 1.00 10.00 H new ATOM 0 HA LEU A 36 7.249 0.029 5.334 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.063 -2.235 6.237 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.849 -1.522 7.281 1.00 10.00 H new ATOM 0 HG LEU A 36 7.184 -2.719 4.545 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.414 -4.684 5.855 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.157 -4.416 6.089 1.00 10.00 H new ATOM 0 HD13 LEU A 36 7.004 -3.922 7.351 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.892 -2.701 5.418 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.463 -1.958 6.930 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.580 -1.060 5.398 1.00 10.00 H new ATOM 601 N GLU A 37 10.232 0.298 6.766 1.00 10.00 N ATOM 602 CA GLU A 37 11.072 1.229 7.516 1.00 10.00 C ATOM 603 C GLU A 37 11.412 2.463 6.674 1.00 10.00 C ATOM 604 O GLU A 37 11.505 3.569 7.200 1.00 10.00 O ATOM 605 CB GLU A 37 12.349 0.528 8.006 1.00 10.00 C ATOM 606 CG GLU A 37 12.162 -0.075 9.405 1.00 10.00 C ATOM 607 CD GLU A 37 13.449 -0.714 9.916 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.478 -0.006 9.899 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.381 -1.898 10.308 1.00 10.00 O ATOM 0 H GLU A 37 10.652 -0.620 6.620 1.00 10.00 H new ATOM 0 HA GLU A 37 10.512 1.566 8.388 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.625 -0.259 7.304 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.172 1.242 8.024 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.841 0.703 10.098 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.370 -0.823 9.377 1.00 10.00 H new ATOM 616 N GLU A 38 11.613 2.270 5.368 1.00 10.00 N ATOM 617 CA GLU A 38 11.987 3.338 4.458 1.00 10.00 C ATOM 618 C GLU A 38 10.887 4.395 4.376 1.00 10.00 C ATOM 619 O GLU A 38 11.176 5.588 4.320 1.00 10.00 O ATOM 620 CB GLU A 38 12.237 2.753 3.070 1.00 10.00 C ATOM 621 CG GLU A 38 13.360 1.703 3.048 1.00 10.00 C ATOM 622 CD GLU A 38 14.470 2.091 2.076 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.129 2.348 0.900 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.634 2.134 2.528 1.00 10.00 O ATOM 0 H GLU A 38 11.518 1.360 4.917 1.00 10.00 H new ATOM 0 HA GLU A 38 12.894 3.813 4.832 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.317 2.299 2.703 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.490 3.560 2.383 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.775 1.592 4.050 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.948 0.735 2.764 1.00 10.00 H new ATOM 631 N HIS A 39 9.632 3.943 4.320 1.00 10.00 N ATOM 632 CA HIS A 39 8.460 4.784 4.153 1.00 10.00 C ATOM 633 C HIS A 39 8.477 5.890 5.210 1.00 10.00 C ATOM 634 O HIS A 39 8.302 5.593 6.394 1.00 10.00 O ATOM 635 CB HIS A 39 7.191 3.934 4.269 1.00 10.00 C ATOM 636 CG HIS A 39 5.935 4.744 4.389 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.092 4.752 5.473 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.413 5.570 3.434 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.071 5.568 5.166 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.221 6.095 3.934 1.00 10.00 N ATOM 0 H HIS A 39 9.404 2.951 4.392 1.00 10.00 H new ATOM 0 HA HIS A 39 8.472 5.245 3.165 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.115 3.288 3.394 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.278 3.283 5.139 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.845 5.779 2.467 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.238 5.775 5.821 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.591 6.745 3.463 1.00 10.00 H new ATOM 648 N PRO A 40 8.667 7.160 4.816 1.00 10.00 N ATOM 649 CA PRO A 40 8.825 8.251 5.760 1.00 10.00 C ATOM 650 C PRO A 40 7.453 8.661 6.306 1.00 10.00 C ATOM 651 O PRO A 40 6.949 9.744 6.020 1.00 10.00 O ATOM 652 CB PRO A 40 9.559 9.347 4.982 1.00 10.00 C ATOM 653 CG PRO A 40 9.124 9.122 3.535 1.00 10.00 C ATOM 654 CD PRO A 40 8.856 7.620 3.448 1.00 10.00 C ATOM 0 HA PRO A 40 9.405 7.995 6.647 1.00 10.00 H new ATOM 0 HB2 PRO A 40 9.281 10.341 5.333 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.640 9.260 5.093 1.00 10.00 H new ATOM 0 HG2 PRO A 40 8.232 9.700 3.294 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.901 9.428 2.834 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.972 7.417 2.844 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.691 7.103 2.975 1.00 10.00 H new ATOM 662 N GLY A 41 6.854 7.770 7.098 1.00 10.00 N ATOM 663 CA GLY A 41 5.566 7.946 7.738 1.00 10.00 C ATOM 664 C GLY A 41 5.496 7.035 8.955 1.00 10.00 C ATOM 665 O GLY A 41 6.098 7.330 9.983 1.00 10.00 O ATOM 0 H GLY A 41 7.279 6.869 7.315 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.431 8.986 8.036 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.762 7.708 7.041 1.00 10.00 H new ATOM 669 N GLY A 42 4.785 5.913 8.831 1.00 10.00 N ATOM 670 CA GLY A 42 4.749 4.881 9.852 1.00 10.00 C ATOM 671 C GLY A 42 4.756 3.519 9.171 1.00 10.00 C ATOM 672 O GLY A 42 3.876 3.231 8.358 1.00 10.00 O ATOM 0 H GLY A 42 4.216 5.700 8.011 1.00 10.00 H new ATOM 0 HA2 GLY A 42 5.609 4.976 10.516 1.00 10.00 H new ATOM 0 HA3 GLY A 42 3.857 4.991 10.468 1.00 10.00 H new ATOM 676 N GLU A 43 5.749 2.687 9.487 1.00 10.00 N ATOM 677 CA GLU A 43 5.800 1.307 9.036 1.00 10.00 C ATOM 678 C GLU A 43 4.629 0.544 9.655 1.00 10.00 C ATOM 679 O GLU A 43 3.891 -0.134 8.946 1.00 10.00 O ATOM 680 CB GLU A 43 7.179 0.720 9.370 1.00 10.00 C ATOM 681 CG GLU A 43 7.540 0.581 10.859 1.00 10.00 C ATOM 682 CD GLU A 43 6.925 -0.651 11.515 1.00 10.00 C ATOM 683 OE1 GLU A 43 6.894 -1.711 10.853 1.00 10.00 O ATOM 684 OE2 GLU A 43 6.432 -0.480 12.649 1.00 10.00 O ATOM 0 H GLU A 43 6.543 2.959 10.067 1.00 10.00 H new ATOM 0 HA GLU A 43 5.688 1.228 7.955 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.246 -0.267 8.912 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.936 1.344 8.895 1.00 10.00 H new ATOM 0 HG2 GLU A 43 8.624 0.535 10.960 1.00 10.00 H new ATOM 0 HG3 GLU A 43 7.207 1.472 11.391 1.00 10.00 H new ATOM 691 N ALA A 44 4.414 0.727 10.963 1.00 10.00 N ATOM 692 CA ALA A 44 3.340 0.095 11.708 1.00 10.00 C ATOM 693 C ALA A 44 2.014 0.354 11.014 1.00 10.00 C ATOM 694 O ALA A 44 1.310 -0.594 10.681 1.00 10.00 O ATOM 695 CB ALA A 44 3.308 0.609 13.151 1.00 10.00 C ATOM 0 H ALA A 44 4.999 1.333 11.538 1.00 10.00 H new ATOM 0 HA ALA A 44 3.516 -0.980 11.740 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.496 0.123 13.692 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.256 0.383 13.639 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.149 1.687 13.150 1.00 10.00 H new ATOM 701 N VAL A 45 1.675 1.624 10.760 1.00 10.00 N ATOM 702 CA VAL A 45 0.458 1.912 10.021 1.00 10.00 C ATOM 703 C VAL A 45 0.533 1.317 8.616 1.00 10.00 C ATOM 704 O VAL A 45 -0.467 0.716 8.215 1.00 10.00 O ATOM 705 CB VAL A 45 0.021 3.387 10.073 1.00 10.00 C ATOM 706 CG1 VAL A 45 0.923 4.311 9.256 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.429 3.534 9.582 1.00 10.00 C ATOM 0 H VAL A 45 2.213 2.441 11.049 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.362 1.408 10.534 1.00 10.00 H new ATOM 0 HB VAL A 45 0.102 3.690 11.117 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.561 5.336 9.335 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.942 4.256 9.639 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.911 4.001 8.211 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.723 4.583 9.625 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.503 3.178 8.554 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.090 2.946 10.218 1.00 10.00 H new ATOM 717 N LEU A 46 1.662 1.399 7.874 1.00 10.00 N ATOM 718 CA LEU A 46 1.649 0.692 6.598 1.00 10.00 C ATOM 719 C LEU A 46 1.295 -0.803 6.758 1.00 10.00 C ATOM 720 O LEU A 46 0.546 -1.351 5.953 1.00 10.00 O ATOM 721 CB LEU A 46 2.965 0.942 5.839 1.00 10.00 C ATOM 722 CG LEU A 46 2.689 1.410 4.405 1.00 10.00 C ATOM 723 CD1 LEU A 46 3.873 2.166 3.799 1.00 10.00 C ATOM 724 CD2 LEU A 46 2.328 0.242 3.494 1.00 10.00 C ATOM 0 H LEU A 46 2.516 1.902 8.116 1.00 10.00 H new ATOM 0 HA LEU A 46 0.846 1.098 5.984 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.555 1.693 6.364 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.558 0.027 5.820 1.00 10.00 H new ATOM 0 HG LEU A 46 1.842 2.092 4.474 1.00 10.00 H new ATOM 0 HD11 LEU A 46 3.626 2.475 2.783 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.090 3.046 4.404 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.747 1.516 3.778 1.00 10.00 H new ATOM 0 HD21 LEU A 46 2.139 0.612 2.486 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.153 -0.470 3.471 1.00 10.00 H new ATOM 0 HD23 LEU A 46 1.433 -0.252 3.873 1.00 10.00 H new ATOM 736 N ARG A 47 1.775 -1.462 7.815 1.00 10.00 N ATOM 737 CA ARG A 47 1.587 -2.891 8.037 1.00 10.00 C ATOM 738 C ARG A 47 0.166 -3.190 8.520 1.00 10.00 C ATOM 739 O ARG A 47 -0.438 -4.177 8.114 1.00 10.00 O ATOM 740 CB ARG A 47 2.666 -3.397 9.009 1.00 10.00 C ATOM 741 CG ARG A 47 3.085 -4.861 8.786 1.00 10.00 C ATOM 742 CD ARG A 47 1.973 -5.876 9.117 1.00 10.00 C ATOM 743 NE ARG A 47 2.481 -7.234 9.400 1.00 10.00 N ATOM 744 CZ ARG A 47 3.145 -7.593 10.516 1.00 10.00 C ATOM 745 NH1 ARG A 47 3.451 -6.657 11.421 1.00 10.00 N ATOM 746 NH2 ARG A 47 3.500 -8.869 10.731 1.00 10.00 N ATOM 0 H ARG A 47 2.314 -1.006 8.551 1.00 10.00 H new ATOM 0 HA ARG A 47 1.703 -3.430 7.096 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.547 -2.762 8.918 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.299 -3.288 10.029 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.386 -4.990 7.746 1.00 10.00 H new ATOM 0 HG3 ARG A 47 3.959 -5.078 9.400 1.00 10.00 H new ATOM 0 HD2 ARG A 47 1.412 -5.519 9.980 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.275 -5.924 8.281 1.00 10.00 H new ATOM 0 HE ARG A 47 2.317 -7.955 8.697 1.00 10.00 H new ATOM 0 HH11 ARG A 47 3.182 -5.686 11.262 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.953 -6.914 12.271 1.00 10.00 H new ATOM 0 HH21 ARG A 47 3.268 -9.586 10.044 1.00 10.00 H new ATOM 0 HH22 ARG A 47 4.002 -9.122 11.582 1.00 10.00 H new ATOM 760 N ALA A 48 -0.375 -2.345 9.394 1.00 10.00 N ATOM 761 CA ALA A 48 -1.676 -2.540 10.011 1.00 10.00 C ATOM 762 C ALA A 48 -2.787 -2.477 8.964 1.00 10.00 C ATOM 763 O ALA A 48 -3.703 -3.294 8.976 1.00 10.00 O ATOM 764 CB ALA A 48 -1.871 -1.476 11.091 1.00 10.00 C ATOM 0 H ALA A 48 0.091 -1.490 9.696 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.722 -3.528 10.468 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.844 -1.611 11.563 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.087 -1.572 11.842 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.821 -0.485 10.639 1.00 10.00 H new ATOM 770 N GLN A 49 -2.700 -1.496 8.062 1.00 10.00 N ATOM 771 CA GLN A 49 -3.652 -1.338 6.967 1.00 10.00 C ATOM 772 C GLN A 49 -3.370 -2.302 5.805 1.00 10.00 C ATOM 773 O GLN A 49 -4.193 -2.447 4.903 1.00 10.00 O ATOM 774 CB GLN A 49 -3.622 0.126 6.503 1.00 10.00 C ATOM 775 CG GLN A 49 -4.780 0.947 7.094 1.00 10.00 C ATOM 776 CD GLN A 49 -6.145 0.545 6.522 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.251 -0.402 5.755 1.00 10.00 O ATOM 778 NE2 GLN A 49 -7.215 1.255 6.866 1.00 10.00 N ATOM 0 H GLN A 49 -1.965 -0.789 8.073 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.649 -1.591 7.327 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.673 0.578 6.793 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.672 0.161 5.415 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.793 0.821 8.177 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.606 2.005 6.898 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -7.120 2.043 7.506 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -8.131 1.011 6.490 1.00 10.00 H new ATOM 787 N ALA A 50 -2.196 -2.935 5.791 1.00 10.00 N ATOM 788 CA ALA A 50 -1.813 -3.831 4.709 1.00 10.00 C ATOM 789 C ALA A 50 -2.834 -4.944 4.459 1.00 10.00 C ATOM 790 O ALA A 50 -3.457 -5.476 5.378 1.00 10.00 O ATOM 791 CB ALA A 50 -0.443 -4.446 4.966 1.00 10.00 C ATOM 0 H ALA A 50 -1.493 -2.840 6.524 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.776 -3.213 3.812 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.182 -5.111 4.142 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.302 -3.654 5.044 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.468 -5.014 5.896 1.00 10.00 H new ATOM 797 N GLY A 51 -2.952 -5.335 3.192 1.00 10.00 N ATOM 798 CA GLY A 51 -3.879 -6.345 2.735 1.00 10.00 C ATOM 799 C GLY A 51 -5.294 -5.902 3.057 1.00 10.00 C ATOM 800 O GLY A 51 -6.008 -6.585 3.784 1.00 10.00 O ATOM 0 H GLY A 51 -2.385 -4.941 2.441 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.768 -6.499 1.662 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.664 -7.298 3.218 1.00 10.00 H new ATOM 804 N GLY A 52 -5.698 -4.751 2.528 1.00 10.00 N ATOM 805 CA GLY A 52 -7.026 -4.214 2.736 1.00 10.00 C ATOM 806 C GLY A 52 -7.178 -2.927 1.939 1.00 10.00 C ATOM 807 O GLY A 52 -6.226 -2.481 1.287 1.00 10.00 O ATOM 0 H GLY A 52 -5.104 -4.166 1.940 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.777 -4.940 2.424 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.191 -4.021 3.796 1.00 10.00 H new ATOM 811 N ASP A 53 -8.376 -2.340 2.001 1.00 10.00 N ATOM 812 CA ASP A 53 -8.612 -1.014 1.464 1.00 10.00 C ATOM 813 C ASP A 53 -7.972 -0.018 2.417 1.00 10.00 C ATOM 814 O ASP A 53 -8.454 0.175 3.533 1.00 10.00 O ATOM 815 CB ASP A 53 -10.112 -0.722 1.292 1.00 10.00 C ATOM 816 CG ASP A 53 -10.364 -0.134 -0.083 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.804 0.959 -0.320 1.00 10.00 O ATOM 818 OD2 ASP A 53 -11.083 -0.783 -0.868 1.00 10.00 O ATOM 0 H ASP A 53 -9.198 -2.773 2.423 1.00 10.00 H new ATOM 0 HA ASP A 53 -8.172 -0.936 0.470 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.688 -1.639 1.417 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.448 -0.028 2.062 1.00 10.00 H new ATOM 823 N ALA A 54 -6.888 0.612 1.976 1.00 10.00 N ATOM 824 CA ALA A 54 -6.257 1.684 2.718 1.00 10.00 C ATOM 825 C ALA A 54 -6.481 2.995 1.983 1.00 10.00 C ATOM 826 O ALA A 54 -5.798 3.967 2.279 1.00 10.00 O ATOM 827 CB ALA A 54 -4.770 1.379 2.894 1.00 10.00 C ATOM 0 H ALA A 54 -6.427 0.390 1.094 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.697 1.771 3.711 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.297 2.187 3.452 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.653 0.443 3.440 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.299 1.290 1.915 1.00 10.00 H new ATOM 833 N THR A 55 -7.414 3.046 1.027 1.00 10.00 N ATOM 834 CA THR A 55 -7.622 4.222 0.204 1.00 10.00 C ATOM 835 C THR A 55 -7.894 5.450 1.075 1.00 10.00 C ATOM 836 O THR A 55 -7.163 6.436 1.002 1.00 10.00 O ATOM 837 CB THR A 55 -8.735 3.937 -0.812 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.415 2.782 -1.556 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.816 5.078 -1.818 1.00 10.00 C ATOM 0 H THR A 55 -8.040 2.271 0.809 1.00 10.00 H new ATOM 0 HA THR A 55 -6.718 4.453 -0.360 1.00 10.00 H new ATOM 0 HB THR A 55 -9.670 3.816 -0.266 1.00 10.00 H new ATOM 0 HG1 THR A 55 -8.653 1.984 -1.039 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.608 4.872 -2.538 1.00 10.00 H new ATOM 0 HG22 THR A 55 -9.034 6.009 -1.295 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.864 5.170 -2.341 1.00 10.00 H new ATOM 847 N ALA A 56 -8.918 5.367 1.931 1.00 10.00 N ATOM 848 CA ALA A 56 -9.286 6.450 2.836 1.00 10.00 C ATOM 849 C ALA A 56 -8.124 6.790 3.779 1.00 10.00 C ATOM 850 O ALA A 56 -7.783 7.949 3.986 1.00 10.00 O ATOM 851 CB ALA A 56 -10.548 6.059 3.609 1.00 10.00 C ATOM 0 H ALA A 56 -9.514 4.543 2.012 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.500 7.349 2.258 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.825 6.867 4.286 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.363 5.878 2.908 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.356 5.153 4.184 1.00 10.00 H new ATOM 857 N ASN A 57 -7.496 5.762 4.351 1.00 10.00 N ATOM 858 CA ASN A 57 -6.378 5.911 5.279 1.00 10.00 C ATOM 859 C ASN A 57 -5.222 6.674 4.626 1.00 10.00 C ATOM 860 O ASN A 57 -4.633 7.563 5.234 1.00 10.00 O ATOM 861 CB ASN A 57 -5.922 4.527 5.773 1.00 10.00 C ATOM 862 CG ASN A 57 -6.217 4.323 7.257 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.317 3.929 7.628 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.235 4.524 8.129 1.00 10.00 N ATOM 0 H ASN A 57 -7.754 4.790 4.179 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.709 6.495 6.138 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.424 3.752 5.194 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.852 4.414 5.597 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -5.391 4.350 9.122 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.325 4.852 7.806 1.00 10.00 H new ATOM 871 N PHE A 58 -4.888 6.304 3.391 1.00 10.00 N ATOM 872 CA PHE A 58 -3.880 6.961 2.579 1.00 10.00 C ATOM 873 C PHE A 58 -4.275 8.413 2.317 1.00 10.00 C ATOM 874 O PHE A 58 -3.545 9.320 2.708 1.00 10.00 O ATOM 875 CB PHE A 58 -3.695 6.181 1.272 1.00 10.00 C ATOM 876 CG PHE A 58 -2.729 6.801 0.279 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.357 6.850 0.576 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.183 7.230 -0.983 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.435 7.270 -0.398 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.261 7.642 -1.961 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.886 7.662 -1.670 1.00 10.00 C ATOM 0 H PHE A 58 -5.328 5.514 2.919 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.928 6.973 3.110 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.347 5.177 1.513 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.667 6.075 0.791 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -1.009 6.564 1.557 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.241 7.243 -1.200 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.620 7.292 -0.169 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.610 7.944 -2.938 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.178 7.978 -2.422 1.00 10.00 H new ATOM 891 N GLU A 59 -5.414 8.642 1.653 1.00 10.00 N ATOM 892 CA GLU A 59 -5.792 9.983 1.219 1.00 10.00 C ATOM 893 C GLU A 59 -5.963 10.937 2.406 1.00 10.00 C ATOM 894 O GLU A 59 -5.574 12.101 2.321 1.00 10.00 O ATOM 895 CB GLU A 59 -6.987 9.926 0.258 1.00 10.00 C ATOM 896 CG GLU A 59 -8.304 9.491 0.910 1.00 10.00 C ATOM 897 CD GLU A 59 -9.099 10.646 1.507 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.280 11.642 0.776 1.00 10.00 O ATOM 899 OE2 GLU A 59 -9.526 10.499 2.671 1.00 10.00 O ATOM 0 H GLU A 59 -6.086 7.915 1.407 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.974 10.415 0.642 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.125 10.910 -0.189 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.753 9.237 -0.553 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.918 8.984 0.166 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -8.089 8.765 1.694 1.00 10.00 H new ATOM 906 N ALA A 60 -6.458 10.419 3.535 1.00 10.00 N ATOM 907 CA ALA A 60 -6.495 11.118 4.814 1.00 10.00 C ATOM 908 C ALA A 60 -5.155 11.790 5.144 1.00 10.00 C ATOM 909 O ALA A 60 -5.138 12.890 5.694 1.00 10.00 O ATOM 910 CB ALA A 60 -6.917 10.139 5.919 1.00 10.00 C ATOM 0 H ALA A 60 -6.852 9.479 3.581 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.231 11.919 4.746 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.945 10.660 6.876 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.906 9.741 5.694 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.200 9.320 5.973 1.00 10.00 H new ATOM 916 N VAL A 61 -4.032 11.153 4.800 1.00 10.00 N ATOM 917 CA VAL A 61 -2.701 11.730 4.900 1.00 10.00 C ATOM 918 C VAL A 61 -2.301 12.155 3.489 1.00 10.00 C ATOM 919 O VAL A 61 -1.518 11.482 2.836 1.00 10.00 O ATOM 920 CB VAL A 61 -1.730 10.707 5.527 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.290 11.245 5.567 1.00 10.00 C ATOM 922 CG2 VAL A 61 -2.160 10.378 6.963 1.00 10.00 C ATOM 0 H VAL A 61 -4.030 10.200 4.437 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.674 12.601 5.554 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.760 9.813 4.905 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.365 10.498 6.015 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.046 11.461 4.553 1.00 10.00 H new ATOM 0 HG13 VAL A 61 -0.259 12.158 6.162 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -1.467 9.655 7.394 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -2.154 11.288 7.562 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -3.165 9.956 6.954 1.00 10.00 H new ATOM 932 N GLY A 62 -2.861 13.257 2.992 1.00 10.00 N ATOM 933 CA GLY A 62 -2.572 13.787 1.661 1.00 10.00 C ATOM 934 C GLY A 62 -1.068 13.842 1.342 1.00 10.00 C ATOM 935 O GLY A 62 -0.364 14.720 1.834 1.00 10.00 O ATOM 0 H GLY A 62 -3.539 13.815 3.511 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.072 13.170 0.915 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.991 14.790 1.578 1.00 10.00 H new ATOM 939 N HIS A 63 -0.589 12.910 0.511 1.00 10.00 N ATOM 940 CA HIS A 63 0.815 12.758 0.138 1.00 10.00 C ATOM 941 C HIS A 63 1.212 13.714 -1.001 1.00 10.00 C ATOM 942 O HIS A 63 0.372 14.083 -1.824 1.00 10.00 O ATOM 943 CB HIS A 63 1.042 11.312 -0.324 1.00 10.00 C ATOM 944 CG HIS A 63 1.077 10.258 0.757 1.00 10.00 C ATOM 945 ND1 HIS A 63 0.052 9.842 1.572 1.00 10.00 N ATOM 946 CD2 HIS A 63 2.166 9.503 1.077 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.530 8.892 2.396 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.816 8.631 2.116 1.00 10.00 N ATOM 0 H HIS A 63 -1.192 12.218 0.066 1.00 10.00 H new ATOM 0 HA HIS A 63 1.429 12.998 1.006 1.00 10.00 H new ATOM 0 HB2 HIS A 63 0.253 11.051 -1.030 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.984 11.272 -0.870 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -0.906 10.193 1.555 1.00 10.00 H new ATOM 0 HD2 HIS A 63 3.137 9.567 0.608 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.041 8.407 3.174 1.00 10.00 H new ATOM 956 N SER A 64 2.497 14.079 -1.079 1.00 10.00 N ATOM 957 CA SER A 64 3.050 14.955 -2.110 1.00 10.00 C ATOM 958 C SER A 64 3.177 14.262 -3.475 1.00 10.00 C ATOM 959 O SER A 64 2.997 13.052 -3.620 1.00 10.00 O ATOM 960 CB SER A 64 4.410 15.497 -1.636 1.00 10.00 C ATOM 961 OG SER A 64 4.949 16.430 -2.560 1.00 10.00 O ATOM 0 H SER A 64 3.197 13.763 -0.407 1.00 10.00 H new ATOM 0 HA SER A 64 2.354 15.781 -2.258 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.294 15.973 -0.662 1.00 10.00 H new ATOM 0 HB3 SER A 64 5.107 14.669 -1.505 1.00 10.00 H new ATOM 0 HG SER A 64 5.812 16.757 -2.229 1.00 10.00 H new ATOM 967 N THR A 65 3.532 15.057 -4.488 1.00 10.00 N ATOM 968 CA THR A 65 3.771 14.643 -5.863 1.00 10.00 C ATOM 969 C THR A 65 4.796 13.517 -5.906 1.00 10.00 C ATOM 970 O THR A 65 4.591 12.517 -6.587 1.00 10.00 O ATOM 971 CB THR A 65 4.276 15.847 -6.669 1.00 10.00 C ATOM 972 OG1 THR A 65 3.505 16.985 -6.334 1.00 10.00 O ATOM 973 CG2 THR A 65 4.190 15.595 -8.177 1.00 10.00 C ATOM 0 H THR A 65 3.666 16.060 -4.358 1.00 10.00 H new ATOM 0 HA THR A 65 2.841 14.277 -6.297 1.00 10.00 H new ATOM 0 HB THR A 65 5.324 16.010 -6.418 1.00 10.00 H new ATOM 0 HG1 THR A 65 3.824 17.758 -6.845 1.00 10.00 H new ATOM 0 HG21 THR A 65 4.556 16.470 -8.714 1.00 10.00 H new ATOM 0 HG22 THR A 65 4.799 14.729 -8.436 1.00 10.00 H new ATOM 0 HG23 THR A 65 3.153 15.406 -8.456 1.00 10.00 H new ATOM 981 N ASP A 66 5.895 13.690 -5.168 1.00 10.00 N ATOM 982 CA ASP A 66 6.991 12.735 -5.126 1.00 10.00 C ATOM 983 C ASP A 66 6.459 11.356 -4.770 1.00 10.00 C ATOM 984 O ASP A 66 6.696 10.387 -5.476 1.00 10.00 O ATOM 985 CB ASP A 66 8.011 13.197 -4.085 1.00 10.00 C ATOM 986 CG ASP A 66 9.367 12.570 -4.365 1.00 10.00 C ATOM 987 OD1 ASP A 66 10.131 13.205 -5.121 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.601 11.469 -3.824 1.00 10.00 O ATOM 0 H ASP A 66 6.045 14.508 -4.578 1.00 10.00 H new ATOM 0 HA ASP A 66 7.472 12.678 -6.103 1.00 10.00 H new ATOM 0 HB2 ASP A 66 8.094 14.284 -4.104 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.673 12.920 -3.086 1.00 10.00 H new ATOM 993 N ALA A 67 5.654 11.297 -3.711 1.00 10.00 N ATOM 994 CA ALA A 67 4.941 10.091 -3.306 1.00 10.00 C ATOM 995 C ALA A 67 3.992 9.620 -4.406 1.00 10.00 C ATOM 996 O ALA A 67 3.933 8.431 -4.718 1.00 10.00 O ATOM 997 CB ALA A 67 4.169 10.342 -2.013 1.00 10.00 C ATOM 0 H ALA A 67 5.477 12.097 -3.103 1.00 10.00 H new ATOM 0 HA ALA A 67 5.676 9.305 -3.132 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.641 9.434 -1.722 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.864 10.626 -1.223 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.449 11.145 -2.169 1.00 10.00 H new ATOM 1003 N ARG A 68 3.232 10.549 -4.984 1.00 10.00 N ATOM 1004 CA ARG A 68 2.273 10.272 -6.048 1.00 10.00 C ATOM 1005 C ARG A 68 2.957 9.610 -7.256 1.00 10.00 C ATOM 1006 O ARG A 68 2.340 8.799 -7.944 1.00 10.00 O ATOM 1007 CB ARG A 68 1.549 11.577 -6.435 1.00 10.00 C ATOM 1008 CG ARG A 68 0.017 11.490 -6.345 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.544 12.819 -5.820 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.013 12.788 -5.721 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.869 13.094 -6.709 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.403 13.433 -7.916 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.188 13.052 -6.486 1.00 10.00 N ATOM 0 H ARG A 68 3.268 11.533 -4.720 1.00 10.00 H new ATOM 0 HA ARG A 68 1.530 9.560 -5.687 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.896 12.380 -5.785 1.00 10.00 H new ATOM 0 HB3 ARG A 68 1.828 11.848 -7.453 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.403 11.269 -7.326 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.273 10.674 -5.683 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.117 13.032 -4.840 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.241 13.629 -6.483 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.414 12.510 -4.825 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.398 13.459 -8.086 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -3.053 13.666 -8.667 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.542 12.788 -5.566 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.840 13.284 -7.236 1.00 10.00 H new ATOM 1027 N GLU A 69 4.229 9.937 -7.494 1.00 10.00 N ATOM 1028 CA GLU A 69 5.061 9.357 -8.542 1.00 10.00 C ATOM 1029 C GLU A 69 5.698 8.048 -8.056 1.00 10.00 C ATOM 1030 O GLU A 69 5.669 7.022 -8.730 1.00 10.00 O ATOM 1031 CB GLU A 69 6.094 10.415 -8.948 1.00 10.00 C ATOM 1032 CG GLU A 69 5.557 11.278 -10.099 1.00 10.00 C ATOM 1033 CD GLU A 69 5.759 10.600 -11.451 1.00 10.00 C ATOM 1034 OE1 GLU A 69 6.921 10.593 -11.909 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.751 10.095 -11.992 1.00 10.00 O ATOM 0 H GLU A 69 4.722 10.638 -6.941 1.00 10.00 H new ATOM 0 HA GLU A 69 4.471 9.090 -9.419 1.00 10.00 H new ATOM 0 HB2 GLU A 69 6.332 11.047 -8.092 1.00 10.00 H new ATOM 0 HB3 GLU A 69 7.021 9.929 -9.252 1.00 10.00 H new ATOM 0 HG2 GLU A 69 4.496 11.473 -9.944 1.00 10.00 H new ATOM 0 HG3 GLU A 69 6.062 12.244 -10.097 1.00 10.00 H new ATOM 1042 N LEU A 70 6.258 8.065 -6.851 1.00 10.00 N ATOM 1043 CA LEU A 70 6.932 6.935 -6.236 1.00 10.00 C ATOM 1044 C LEU A 70 5.982 5.739 -6.183 1.00 10.00 C ATOM 1045 O LEU A 70 6.272 4.665 -6.701 1.00 10.00 O ATOM 1046 CB LEU A 70 7.474 7.392 -4.873 1.00 10.00 C ATOM 1047 CG LEU A 70 8.295 6.414 -4.021 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.833 5.266 -4.849 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.448 7.135 -3.319 1.00 10.00 C ATOM 0 H LEU A 70 6.253 8.895 -6.259 1.00 10.00 H new ATOM 0 HA LEU A 70 7.788 6.593 -6.818 1.00 10.00 H new ATOM 0 HB2 LEU A 70 8.092 8.273 -5.046 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.622 7.712 -4.273 1.00 10.00 H new ATOM 0 HG LEU A 70 7.623 6.004 -3.267 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.409 4.595 -4.211 1.00 10.00 H new ATOM 0 HD12 LEU A 70 8.003 4.719 -5.295 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.476 5.656 -5.638 1.00 10.00 H new ATOM 0 HD21 LEU A 70 10.014 6.420 -2.722 1.00 10.00 H new ATOM 0 HD22 LEU A 70 10.104 7.585 -4.065 1.00 10.00 H new ATOM 0 HD23 LEU A 70 9.048 7.914 -2.670 1.00 10.00 H new ATOM 1061 N SER A 71 4.813 5.940 -5.593 1.00 10.00 N ATOM 1062 CA SER A 71 3.713 4.988 -5.622 1.00 10.00 C ATOM 1063 C SER A 71 3.581 4.314 -6.995 1.00 10.00 C ATOM 1064 O SER A 71 3.603 3.091 -7.059 1.00 10.00 O ATOM 1065 CB SER A 71 2.422 5.667 -5.163 1.00 10.00 C ATOM 1066 OG SER A 71 2.117 6.773 -5.976 1.00 10.00 O ATOM 0 H SER A 71 4.598 6.788 -5.069 1.00 10.00 H new ATOM 0 HA SER A 71 3.926 4.182 -4.920 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.600 4.952 -5.193 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.525 5.990 -4.127 1.00 10.00 H new ATOM 0 HG SER A 71 2.632 7.551 -5.676 1.00 10.00 H new ATOM 1072 N LYS A 72 3.508 5.067 -8.099 1.00 10.00 N ATOM 1073 CA LYS A 72 3.473 4.475 -9.438 1.00 10.00 C ATOM 1074 C LYS A 72 4.659 3.530 -9.680 1.00 10.00 C ATOM 1075 O LYS A 72 4.478 2.429 -10.191 1.00 10.00 O ATOM 1076 CB LYS A 72 3.443 5.552 -10.528 1.00 10.00 C ATOM 1077 CG LYS A 72 2.167 6.394 -10.507 1.00 10.00 C ATOM 1078 CD LYS A 72 0.979 5.557 -10.993 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.171 6.459 -11.447 1.00 10.00 C ATOM 1080 NZ LYS A 72 -1.207 5.677 -12.144 1.00 10.00 N ATOM 0 H LYS A 72 3.472 6.086 -8.090 1.00 10.00 H new ATOM 0 HA LYS A 72 2.553 3.893 -9.492 1.00 10.00 H new ATOM 0 HB2 LYS A 72 4.305 6.207 -10.406 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.540 5.075 -11.503 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.978 6.757 -9.497 1.00 10.00 H new ATOM 0 HG3 LYS A 72 2.289 7.271 -11.143 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.292 4.917 -11.818 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.638 4.901 -10.192 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.608 6.961 -10.584 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.210 7.237 -12.109 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.977 6.309 -12.443 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.792 5.218 -12.980 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -1.585 4.951 -11.502 1.00 10.00 H new ATOM 1094 N THR A 73 5.866 3.926 -9.285 1.00 10.00 N ATOM 1095 CA THR A 73 7.047 3.067 -9.339 1.00 10.00 C ATOM 1096 C THR A 73 6.876 1.793 -8.497 1.00 10.00 C ATOM 1097 O THR A 73 7.456 0.761 -8.825 1.00 10.00 O ATOM 1098 CB THR A 73 8.310 3.889 -9.005 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.694 4.600 -10.165 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.498 3.058 -8.511 1.00 10.00 C ATOM 0 H THR A 73 6.054 4.858 -8.916 1.00 10.00 H new ATOM 0 HA THR A 73 7.175 2.697 -10.356 1.00 10.00 H new ATOM 0 HB THR A 73 8.045 4.550 -8.180 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.495 5.131 -9.973 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.340 3.717 -8.301 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.217 2.526 -7.602 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.783 2.338 -9.279 1.00 10.00 H new ATOM 1108 N PHE A 74 6.054 1.841 -7.446 1.00 10.00 N ATOM 1109 CA PHE A 74 5.694 0.674 -6.640 1.00 10.00 C ATOM 1110 C PHE A 74 4.392 0.021 -7.110 1.00 10.00 C ATOM 1111 O PHE A 74 3.918 -0.915 -6.463 1.00 10.00 O ATOM 1112 CB PHE A 74 5.583 1.058 -5.157 1.00 10.00 C ATOM 1113 CG PHE A 74 6.905 1.256 -4.448 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.813 0.183 -4.367 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.156 2.436 -3.724 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.004 0.317 -3.637 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.326 2.551 -2.955 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.263 1.505 -2.938 1.00 10.00 C ATOM 0 H PHE A 74 5.614 2.704 -7.127 1.00 10.00 H new ATOM 0 HA PHE A 74 6.492 -0.058 -6.767 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.004 1.978 -5.078 1.00 10.00 H new ATOM 0 HB3 PHE A 74 5.021 0.282 -4.637 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.592 -0.747 -4.869 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.450 3.252 -3.759 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.719 -0.492 -3.614 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.505 3.445 -2.376 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.185 1.616 -2.386 1.00 10.00 H new ATOM 1128 N ILE A 75 3.788 0.490 -8.206 1.00 10.00 N ATOM 1129 CA ILE A 75 2.565 -0.122 -8.694 1.00 10.00 C ATOM 1130 C ILE A 75 2.889 -1.539 -9.164 1.00 10.00 C ATOM 1131 O ILE A 75 3.817 -1.740 -9.945 1.00 10.00 O ATOM 1132 CB ILE A 75 1.887 0.752 -9.763 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.380 0.756 -9.500 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.236 0.359 -11.206 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.393 1.542 -10.548 1.00 10.00 C ATOM 0 H ILE A 75 4.125 1.278 -8.759 1.00 10.00 H new ATOM 0 HA ILE A 75 1.828 -0.197 -7.894 1.00 10.00 H new ATOM 0 HB ILE A 75 2.278 1.765 -9.673 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.016 -0.271 -9.479 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.188 1.183 -8.516 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.719 1.022 -11.899 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.312 0.445 -11.356 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.925 -0.670 -11.388 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.457 1.512 -10.313 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.051 2.577 -10.552 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.226 1.101 -11.531 1.00 10.00 H new ATOM 1147 N ILE A 76 2.140 -2.526 -8.677 1.00 10.00 N ATOM 1148 CA ILE A 76 2.322 -3.920 -9.075 1.00 10.00 C ATOM 1149 C ILE A 76 1.203 -4.362 -10.017 1.00 10.00 C ATOM 1150 O ILE A 76 1.333 -5.367 -10.711 1.00 10.00 O ATOM 1151 CB ILE A 76 2.445 -4.802 -7.827 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.358 -4.477 -6.793 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.853 -4.616 -7.233 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.274 -5.579 -5.740 1.00 10.00 C ATOM 0 H ILE A 76 1.393 -2.383 -7.998 1.00 10.00 H new ATOM 0 HA ILE A 76 3.250 -4.027 -9.637 1.00 10.00 H new ATOM 0 HB ILE A 76 2.300 -5.845 -8.109 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.578 -3.523 -6.313 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.395 -4.368 -7.291 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.958 -5.237 -6.343 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.601 -4.909 -7.970 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.999 -3.570 -6.964 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.498 -5.332 -5.015 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.031 -6.526 -6.223 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.233 -5.668 -5.229 1.00 10.00 H new ATOM 1166 N GLY A 77 0.109 -3.602 -10.063 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.026 -3.867 -10.915 1.00 10.00 C ATOM 1168 C GLY A 77 -2.218 -3.158 -10.297 1.00 10.00 C ATOM 1169 O GLY A 77 -2.055 -2.117 -9.656 1.00 10.00 O ATOM 0 H GLY A 77 -0.005 -2.766 -9.490 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.843 -3.504 -11.926 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.211 -4.939 -10.990 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.403 -3.740 -10.465 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.658 -3.114 -10.114 1.00 10.00 C ATOM 1175 C GLU A 78 -5.609 -4.109 -9.452 1.00 10.00 C ATOM 1176 O GLU A 78 -5.346 -5.311 -9.393 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.236 -2.384 -11.339 1.00 10.00 C ATOM 1178 CG GLU A 78 -4.972 -0.873 -11.250 1.00 10.00 C ATOM 1179 CD GLU A 78 -4.978 -0.142 -12.587 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -4.836 -0.806 -13.633 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.102 1.103 -12.525 1.00 10.00 O ATOM 0 H GLU A 78 -3.511 -4.676 -10.856 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.495 -2.349 -9.355 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.789 -2.783 -12.250 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.309 -2.567 -11.404 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.726 -0.424 -10.604 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.006 -0.715 -10.770 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.700 -3.581 -8.905 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.709 -4.360 -8.204 1.00 10.00 C ATOM 1190 C LEU A 79 -8.518 -5.171 -9.220 1.00 10.00 C ATOM 1191 O LEU A 79 -8.943 -4.628 -10.241 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.618 -3.388 -7.449 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.802 -4.076 -6.751 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.427 -4.627 -5.369 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.951 -3.074 -6.682 1.00 10.00 C ATOM 0 H LEU A 79 -6.909 -2.583 -8.938 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.246 -5.052 -7.500 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.028 -2.854 -6.705 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.000 -2.643 -8.147 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.109 -4.949 -7.327 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.298 -5.103 -4.918 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.627 -5.360 -5.474 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.089 -3.810 -4.731 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.807 -3.536 -6.190 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.636 -2.198 -6.115 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.231 -2.772 -7.691 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.765 -6.450 -8.939 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.538 -7.331 -9.808 1.00 10.00 C ATOM 1209 C HIS A 80 -10.937 -6.780 -10.116 1.00 10.00 C ATOM 1210 O HIS A 80 -11.602 -6.239 -9.234 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.608 -8.732 -9.189 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.757 -9.852 -10.184 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.895 -10.578 -10.430 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.761 -10.383 -10.960 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.600 -11.503 -11.356 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.310 -11.420 -11.718 1.00 10.00 N ATOM 0 H HIS A 80 -8.429 -6.907 -8.091 1.00 10.00 H new ATOM 0 HA HIS A 80 -9.024 -7.390 -10.768 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.704 -8.902 -8.604 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.448 -8.766 -8.495 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.732 -10.057 -10.982 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.305 -12.217 -11.756 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.828 -11.997 -12.407 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.423 -6.938 -11.358 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.764 -6.525 -11.736 1.00 10.00 C ATOM 1226 C PRO A 81 -13.870 -7.357 -11.072 1.00 10.00 C ATOM 1227 O PRO A 81 -15.036 -7.006 -11.213 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.809 -6.600 -13.264 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.751 -7.649 -13.597 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.699 -7.430 -12.518 1.00 10.00 C ATOM 0 HA PRO A 81 -12.964 -5.513 -11.383 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.795 -6.895 -13.623 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.579 -5.638 -13.721 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -12.160 -8.659 -13.563 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -11.340 -7.505 -14.596 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -10.175 -8.358 -12.288 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.947 -6.711 -12.844 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.522 -8.437 -10.359 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.475 -9.236 -9.587 1.00 10.00 C ATOM 1240 C ASP A 82 -14.742 -8.618 -8.206 1.00 10.00 C ATOM 1241 O ASP A 82 -15.787 -8.857 -7.609 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.938 -10.667 -9.450 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.997 -11.648 -8.969 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -16.013 -11.781 -9.683 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.724 -12.304 -7.941 1.00 10.00 O ATOM 0 H ASP A 82 -12.563 -8.781 -10.303 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.427 -9.254 -10.117 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.551 -10.999 -10.413 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.101 -10.671 -8.752 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.781 -7.841 -7.686 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.898 -7.176 -6.393 1.00 10.00 C ATOM 1252 C ASP A 83 -14.865 -5.990 -6.501 1.00 10.00 C ATOM 1253 O ASP A 83 -15.829 -5.893 -5.743 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.486 -6.761 -5.947 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.435 -5.867 -4.717 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.156 -4.852 -4.670 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.588 -6.187 -3.863 1.00 10.00 O ATOM 0 H ASP A 83 -12.896 -7.659 -8.160 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.315 -7.841 -5.637 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.906 -7.662 -5.747 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.998 -6.244 -6.773 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.563 -5.093 -7.444 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.244 -3.814 -7.611 1.00 10.00 C ATOM 1264 C ARG A 84 -16.721 -3.958 -7.994 1.00 10.00 C ATOM 1265 O ARG A 84 -17.466 -2.991 -7.719 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.502 -2.976 -8.660 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.616 -3.606 -10.056 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.757 -2.872 -11.090 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.315 -2.987 -10.803 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.371 -2.254 -11.418 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.728 -1.378 -12.363 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.081 -2.392 -11.106 1.00 10.00 N ATOM 0 H ARG A 84 -13.820 -5.243 -8.127 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.229 -3.313 -6.643 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -14.912 -1.966 -8.679 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.452 -2.888 -8.382 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.311 -4.651 -10.008 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.658 -3.593 -10.376 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.961 -3.276 -12.081 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.038 -1.819 -11.111 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.017 -3.661 -10.098 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.711 -1.270 -12.613 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.017 -0.818 -12.834 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.798 -3.062 -10.391 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.378 -1.828 -11.583 1.00 10.00 H new