USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 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= -1.02 X(o=-0.52,f=-0.35) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.497 K(o=-0.52,f=-4.9!) 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= -0.0655 USER MOD Single : A 8 THR OG1 : rot -144:sc= 1.07 USER MOD Single : A 13 GLN : amide:sc= -0.216 K(o=-0.22,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.209) USER MOD Single : A 15 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.0097) USER MOD Single : A 16 ASN : amide:sc= 0.00697 X(o=0.007,f=-0.25) USER MOD Single : A 20 SER OG : rot 33:sc= 0.46 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.812 X(o=-0.81,f=-0.59) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 134:sc= -0.119 (180deg=-0.691) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 140:sc= 0.474 USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 49 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.19) USER MOD Single : A 55 THR OG1 : rot 170:sc= 0.625 USER MOD Single : A 57 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00467 USER MOD Single : A 71 SER OG : rot -39:sc= 0.276 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= -0.917 K(o=-0.92,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -0.802 -7.110 -13.808 1.00 10.00 N ATOM 30 CA LYS A 5 -1.572 -8.282 -13.435 1.00 10.00 C ATOM 31 C LYS A 5 -2.468 -7.873 -12.276 1.00 10.00 C ATOM 32 O LYS A 5 -1.971 -7.383 -11.267 1.00 10.00 O ATOM 33 CB LYS A 5 -0.627 -9.428 -13.054 1.00 10.00 C ATOM 34 CG LYS A 5 -1.400 -10.737 -12.826 1.00 10.00 C ATOM 35 CD LYS A 5 -0.479 -11.958 -12.964 1.00 10.00 C ATOM 36 CE LYS A 5 0.436 -12.119 -11.741 1.00 10.00 C ATOM 37 NZ LYS A 5 1.599 -12.984 -12.022 1.00 10.00 N ATOM 0 HA LYS A 5 -2.184 -8.643 -14.262 1.00 10.00 H new ATOM 0 HB2 LYS A 5 0.111 -9.572 -13.843 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.079 -9.165 -12.149 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -1.850 -10.728 -11.833 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.216 -10.811 -13.545 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.083 -12.857 -13.088 1.00 10.00 H new ATOM 0 HD3 LYS A 5 0.129 -11.856 -13.863 1.00 10.00 H new ATOM 0 HE2 LYS A 5 0.785 -11.138 -11.419 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -0.136 -12.540 -10.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 2.187 -13.063 -11.168 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 1.269 -13.929 -12.304 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 2.161 -12.570 -12.793 1.00 10.00 H new ATOM 51 N TYR A 6 -3.783 -8.007 -12.438 1.00 10.00 N ATOM 52 CA TYR A 6 -4.715 -7.593 -11.406 1.00 10.00 C ATOM 53 C TYR A 6 -4.722 -8.610 -10.265 1.00 10.00 C ATOM 54 O TYR A 6 -4.377 -9.771 -10.485 1.00 10.00 O ATOM 55 CB TYR A 6 -6.107 -7.379 -12.009 1.00 10.00 C ATOM 56 CG TYR A 6 -6.143 -6.651 -13.342 1.00 10.00 C ATOM 57 CD1 TYR A 6 -5.424 -5.454 -13.516 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.897 -7.169 -14.411 1.00 10.00 C ATOM 59 CE1 TYR A 6 -5.472 -4.769 -14.742 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.944 -6.484 -15.637 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.236 -5.283 -15.802 1.00 10.00 C ATOM 62 OH TYR A 6 -6.286 -4.626 -16.994 1.00 10.00 O ATOM 0 H TYR A 6 -4.220 -8.398 -13.273 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.397 -6.639 -10.985 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.582 -8.352 -12.134 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.710 -6.820 -11.294 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -4.832 -5.060 -12.703 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.440 -8.094 -14.289 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.922 -3.848 -14.869 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.526 -6.883 -16.455 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.859 -5.120 -17.616 1.00 10.00 H new ATOM 72 N TYR A 7 -5.106 -8.182 -9.058 1.00 10.00 N ATOM 73 CA TYR A 7 -5.170 -9.044 -7.884 1.00 10.00 C ATOM 74 C TYR A 7 -6.495 -8.822 -7.158 1.00 10.00 C ATOM 75 O TYR A 7 -6.993 -7.695 -7.101 1.00 10.00 O ATOM 76 CB TYR A 7 -3.977 -8.767 -6.968 1.00 10.00 C ATOM 77 CG TYR A 7 -2.627 -8.979 -7.621 1.00 10.00 C ATOM 78 CD1 TYR A 7 -2.160 -10.285 -7.855 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.837 -7.875 -7.989 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.913 -10.486 -8.471 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.597 -8.077 -8.620 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.143 -9.382 -8.872 1.00 10.00 C ATOM 83 OH TYR A 7 1.050 -9.582 -9.500 1.00 10.00 O ATOM 0 H TYR A 7 -5.383 -7.218 -8.872 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.120 -10.089 -8.190 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.038 -7.738 -6.613 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -4.049 -9.412 -6.092 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.760 -11.134 -7.561 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.183 -6.872 -7.787 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.547 -11.489 -8.636 1.00 10.00 H new ATOM 0 HE2 TYR A 7 0.006 -7.229 -8.911 1.00 10.00 H new ATOM 0 HH TYR A 7 1.457 -8.716 -9.712 1.00 10.00 H new ATOM 93 N THR A 8 -7.103 -9.910 -6.678 1.00 10.00 N ATOM 94 CA THR A 8 -8.363 -9.885 -5.951 1.00 10.00 C ATOM 95 C THR A 8 -8.108 -9.296 -4.570 1.00 10.00 C ATOM 96 O THR A 8 -6.992 -9.382 -4.052 1.00 10.00 O ATOM 97 CB THR A 8 -8.898 -11.322 -5.823 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.884 -12.084 -5.191 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.291 -11.888 -7.191 1.00 10.00 C ATOM 0 H THR A 8 -6.721 -10.849 -6.789 1.00 10.00 H new ATOM 0 HA THR A 8 -9.100 -9.279 -6.478 1.00 10.00 H new ATOM 0 HB THR A 8 -9.808 -11.352 -5.224 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.873 -12.989 -5.567 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.666 -12.904 -7.070 1.00 10.00 H new ATOM 0 HG22 THR A 8 -10.069 -11.265 -7.633 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.419 -11.898 -7.845 1.00 10.00 H new ATOM 107 N LEU A 9 -9.150 -8.742 -3.943 1.00 10.00 N ATOM 108 CA LEU A 9 -9.045 -8.300 -2.567 1.00 10.00 C ATOM 109 C LEU A 9 -8.486 -9.426 -1.701 1.00 10.00 C ATOM 110 O LEU A 9 -7.684 -9.159 -0.820 1.00 10.00 O ATOM 111 CB LEU A 9 -10.408 -7.841 -2.040 1.00 10.00 C ATOM 112 CG LEU A 9 -10.357 -6.441 -1.399 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.747 -6.060 -0.878 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.362 -6.347 -0.232 1.00 10.00 C ATOM 0 H LEU A 9 -10.064 -8.594 -4.370 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.363 -7.451 -2.523 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.127 -7.835 -2.860 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.769 -8.560 -1.305 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.023 -5.757 -2.179 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.707 -5.069 -0.425 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.456 -6.052 -1.706 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.068 -6.787 -0.132 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.374 -5.336 0.176 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.646 -7.055 0.546 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.359 -6.583 -0.589 1.00 10.00 H new ATOM 126 N GLU A 10 -8.888 -10.674 -1.970 1.00 10.00 N ATOM 127 CA GLU A 10 -8.393 -11.850 -1.266 1.00 10.00 C ATOM 128 C GLU A 10 -6.880 -12.010 -1.423 1.00 10.00 C ATOM 129 O GLU A 10 -6.135 -12.012 -0.442 1.00 10.00 O ATOM 130 CB GLU A 10 -9.123 -13.106 -1.749 1.00 10.00 C ATOM 131 CG GLU A 10 -8.927 -14.267 -0.763 1.00 10.00 C ATOM 132 CD GLU A 10 -9.590 -14.004 0.586 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.837 -13.940 0.601 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.833 -13.856 1.569 1.00 10.00 O ATOM 0 H GLU A 10 -9.574 -10.892 -2.692 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.596 -11.711 -0.204 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.186 -12.893 -1.860 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.751 -13.392 -2.733 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.338 -15.180 -1.195 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.861 -14.437 -0.614 1.00 10.00 H new ATOM 141 N GLU A 11 -6.406 -12.153 -2.662 1.00 10.00 N ATOM 142 CA GLU A 11 -4.983 -12.306 -2.925 1.00 10.00 C ATOM 143 C GLU A 11 -4.195 -11.195 -2.234 1.00 10.00 C ATOM 144 O GLU A 11 -3.196 -11.459 -1.569 1.00 10.00 O ATOM 145 CB GLU A 11 -4.713 -12.316 -4.436 1.00 10.00 C ATOM 146 CG GLU A 11 -4.482 -13.735 -4.968 1.00 10.00 C ATOM 147 CD GLU A 11 -5.618 -14.684 -4.606 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.748 -14.434 -5.087 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.318 -15.630 -3.843 1.00 10.00 O ATOM 0 H GLU A 11 -6.992 -12.165 -3.497 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.652 -13.262 -2.519 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.557 -11.866 -4.958 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.840 -11.701 -4.652 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -4.373 -13.700 -6.052 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.546 -14.123 -4.566 1.00 10.00 H new ATOM 156 N ILE A 12 -4.662 -9.955 -2.377 1.00 10.00 N ATOM 157 CA ILE A 12 -4.035 -8.810 -1.738 1.00 10.00 C ATOM 158 C ILE A 12 -4.082 -8.986 -0.208 1.00 10.00 C ATOM 159 O ILE A 12 -3.061 -8.845 0.462 1.00 10.00 O ATOM 160 CB ILE A 12 -4.710 -7.516 -2.233 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.614 -7.400 -3.769 1.00 10.00 C ATOM 162 CG2 ILE A 12 -4.052 -6.275 -1.615 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.614 -6.393 -4.336 1.00 10.00 C ATOM 0 H ILE A 12 -5.482 -9.722 -2.937 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.982 -8.737 -2.010 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.755 -7.566 -1.928 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.603 -7.101 -4.047 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.792 -8.378 -4.217 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.550 -5.378 -1.983 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.140 -6.319 -0.529 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.998 -6.245 -1.893 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.508 -6.346 -5.420 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.627 -6.705 -4.083 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.420 -5.409 -3.910 1.00 10.00 H new ATOM 175 N GLN A 13 -5.251 -9.324 0.346 1.00 10.00 N ATOM 176 CA GLN A 13 -5.484 -9.585 1.759 1.00 10.00 C ATOM 177 C GLN A 13 -4.459 -10.567 2.308 1.00 10.00 C ATOM 178 O GLN A 13 -3.917 -10.323 3.379 1.00 10.00 O ATOM 179 CB GLN A 13 -6.914 -10.091 2.000 1.00 10.00 C ATOM 180 CG GLN A 13 -7.934 -8.968 2.246 1.00 10.00 C ATOM 181 CD GLN A 13 -8.331 -8.823 3.717 1.00 10.00 C ATOM 182 OE1 GLN A 13 -7.636 -9.277 4.621 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.489 -8.221 3.974 1.00 10.00 N ATOM 0 H GLN A 13 -6.099 -9.426 -0.212 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.369 -8.643 2.295 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.233 -10.677 1.138 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.912 -10.763 2.858 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.517 -8.024 1.895 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.828 -9.162 1.653 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -10.052 -7.850 3.208 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.814 -8.130 4.937 1.00 10.00 H new ATOM 192 N LYS A 14 -4.142 -11.648 1.588 1.00 10.00 N ATOM 193 CA LYS A 14 -3.155 -12.617 2.057 1.00 10.00 C ATOM 194 C LYS A 14 -1.819 -11.946 2.430 1.00 10.00 C ATOM 195 O LYS A 14 -1.099 -12.446 3.292 1.00 10.00 O ATOM 196 CB LYS A 14 -2.978 -13.762 1.045 1.00 10.00 C ATOM 197 CG LYS A 14 -4.288 -14.539 0.827 1.00 10.00 C ATOM 198 CD LYS A 14 -4.111 -16.005 0.394 1.00 10.00 C ATOM 199 CE LYS A 14 -3.554 -16.176 -1.028 1.00 10.00 C ATOM 200 NZ LYS A 14 -2.083 -16.078 -1.082 1.00 10.00 N ATOM 0 H LYS A 14 -4.555 -11.871 0.682 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.537 -13.060 2.977 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.633 -13.356 0.094 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.205 -14.444 1.399 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.864 -14.516 1.752 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.878 -14.021 0.071 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.442 -16.502 1.097 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -5.074 -16.511 0.459 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -3.864 -17.145 -1.420 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -3.988 -15.416 -1.677 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -1.742 -16.462 -1.987 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -1.798 -15.081 -1.000 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -1.670 -16.622 -0.298 1.00 10.00 H new ATOM 214 N HIS A 15 -1.501 -10.795 1.832 1.00 10.00 N ATOM 215 CA HIS A 15 -0.308 -10.013 2.136 1.00 10.00 C ATOM 216 C HIS A 15 -0.627 -8.957 3.203 1.00 10.00 C ATOM 217 O HIS A 15 -0.573 -7.756 2.927 1.00 10.00 O ATOM 218 CB HIS A 15 0.241 -9.378 0.850 1.00 10.00 C ATOM 219 CG HIS A 15 0.807 -10.350 -0.156 1.00 10.00 C ATOM 220 ND1 HIS A 15 2.069 -10.293 -0.706 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.164 -11.423 -0.718 1.00 10.00 C ATOM 222 CE1 HIS A 15 2.188 -11.329 -1.553 1.00 10.00 C ATOM 223 NE2 HIS A 15 1.057 -12.053 -1.589 1.00 10.00 N ATOM 0 H HIS A 15 -2.082 -10.374 1.107 1.00 10.00 H new ATOM 0 HA HIS A 15 0.465 -10.667 2.541 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.559 -8.811 0.373 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.020 -8.665 1.120 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.853 -11.728 -0.522 1.00 10.00 H new ATOM 0 HE1 HIS A 15 3.075 -11.550 -2.128 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.885 -12.893 -2.141 1.00 10.00 H new ATOM 231 N ASN A 16 -0.928 -9.428 4.422 1.00 10.00 N ATOM 232 CA ASN A 16 -1.251 -8.608 5.597 1.00 10.00 C ATOM 233 C ASN A 16 -0.373 -8.972 6.798 1.00 10.00 C ATOM 234 O ASN A 16 -0.826 -8.878 7.935 1.00 10.00 O ATOM 235 CB ASN A 16 -2.738 -8.757 5.989 1.00 10.00 C ATOM 236 CG ASN A 16 -3.080 -10.128 6.583 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.391 -10.264 7.761 1.00 10.00 O ATOM 238 ND2 ASN A 16 -3.032 -11.170 5.761 1.00 10.00 N ATOM 0 H ASN A 16 -0.954 -10.428 4.623 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.054 -7.572 5.321 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.994 -7.983 6.712 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -3.357 -8.587 5.108 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.256 -12.103 6.107 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.771 -11.037 4.784 1.00 10.00 H new ATOM 292 N SER A 20 5.241 -9.175 3.954 1.00 10.00 N ATOM 293 CA SER A 20 4.120 -9.049 3.029 1.00 10.00 C ATOM 294 C SER A 20 3.114 -7.956 3.426 1.00 10.00 C ATOM 295 O SER A 20 2.338 -8.138 4.366 1.00 10.00 O ATOM 296 CB SER A 20 3.438 -10.412 2.911 1.00 10.00 C ATOM 297 OG SER A 20 4.428 -11.419 2.798 1.00 10.00 O ATOM 0 HA SER A 20 4.513 -8.732 2.063 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.813 -10.596 3.785 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.783 -10.430 2.040 1.00 10.00 H new ATOM 0 HG SER A 20 5.218 -11.161 3.317 1.00 10.00 H new ATOM 303 N THR A 21 3.107 -6.861 2.658 1.00 10.00 N ATOM 304 CA THR A 21 2.336 -5.651 2.873 1.00 10.00 C ATOM 305 C THR A 21 1.910 -5.121 1.506 1.00 10.00 C ATOM 306 O THR A 21 2.576 -4.257 0.933 1.00 10.00 O ATOM 307 CB THR A 21 3.190 -4.629 3.636 1.00 10.00 C ATOM 308 OG1 THR A 21 3.398 -5.096 4.955 1.00 10.00 O ATOM 309 CG2 THR A 21 2.579 -3.217 3.689 1.00 10.00 C ATOM 0 H THR A 21 3.681 -6.802 1.817 1.00 10.00 H new ATOM 0 HA THR A 21 1.448 -5.848 3.473 1.00 10.00 H new ATOM 0 HB THR A 21 4.128 -4.537 3.089 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.652 -4.345 5.531 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.242 -2.554 4.245 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.453 -2.837 2.675 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.609 -3.259 4.184 1.00 10.00 H new ATOM 317 N TRP A 22 0.805 -5.655 0.982 1.00 10.00 N ATOM 318 CA TRP A 22 0.126 -5.084 -0.171 1.00 10.00 C ATOM 319 C TRP A 22 -1.074 -4.303 0.341 1.00 10.00 C ATOM 320 O TRP A 22 -1.299 -4.283 1.542 1.00 10.00 O ATOM 321 CB TRP A 22 -0.312 -6.201 -1.107 1.00 10.00 C ATOM 322 CG TRP A 22 0.777 -6.939 -1.815 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.102 -6.846 -1.576 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.648 -7.799 -2.979 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.795 -7.562 -2.518 1.00 10.00 N ATOM 326 CE2 TRP A 22 1.951 -8.167 -3.425 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.447 -8.260 -3.733 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.154 -8.941 -4.577 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.261 -9.087 -4.850 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.037 -9.402 -5.295 1.00 10.00 C ATOM 0 H TRP A 22 0.360 -6.496 1.349 1.00 10.00 H new ATOM 0 HA TRP A 22 0.787 -4.420 -0.728 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.894 -6.921 -0.531 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.980 -5.777 -1.856 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.549 -6.291 -0.765 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.812 -7.638 -2.545 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.448 -7.972 -3.447 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.154 -9.179 -4.908 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.119 -9.485 -5.372 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.174 -9.997 -6.186 1.00 10.00 H new ATOM 341 N LEU A 23 -1.834 -3.644 -0.534 1.00 10.00 N ATOM 342 CA LEU A 23 -2.984 -2.826 -0.165 1.00 10.00 C ATOM 343 C LEU A 23 -3.547 -2.198 -1.432 1.00 10.00 C ATOM 344 O LEU A 23 -2.897 -2.276 -2.475 1.00 10.00 O ATOM 345 CB LEU A 23 -2.638 -1.767 0.898 1.00 10.00 C ATOM 346 CG LEU A 23 -1.259 -1.109 0.723 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.275 -0.025 -0.346 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.838 -0.473 2.042 1.00 10.00 C ATOM 0 H LEU A 23 -1.662 -3.666 -1.539 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.740 -3.460 0.299 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.402 -0.990 0.879 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.681 -2.232 1.883 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.560 -1.887 0.416 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.281 0.412 -0.436 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.567 -0.461 -1.301 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -1.989 0.750 -0.067 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.139 -0.005 1.925 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.569 0.281 2.332 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.782 -1.240 2.814 1.00 10.00 H new ATOM 360 N ILE A 24 -4.743 -1.606 -1.340 1.00 10.00 N ATOM 361 CA ILE A 24 -5.450 -1.016 -2.476 1.00 10.00 C ATOM 362 C ILE A 24 -5.633 0.477 -2.221 1.00 10.00 C ATOM 363 O ILE A 24 -6.286 0.866 -1.246 1.00 10.00 O ATOM 364 CB ILE A 24 -6.800 -1.714 -2.706 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.564 -3.192 -3.053 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.603 -1.068 -3.847 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.730 -4.071 -2.586 1.00 10.00 C ATOM 0 H ILE A 24 -5.252 -1.523 -0.460 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.862 -1.154 -3.383 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.374 -1.615 -1.785 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.436 -3.298 -4.130 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.640 -3.533 -2.587 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.548 -1.596 -3.971 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.800 -0.023 -3.607 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.031 -1.126 -4.773 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.530 -5.110 -2.848 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.841 -3.984 -1.505 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.649 -3.745 -3.073 1.00 10.00 H new ATOM 379 N LEU A 25 -5.045 1.292 -3.103 1.00 10.00 N ATOM 380 CA LEU A 25 -5.133 2.746 -3.104 1.00 10.00 C ATOM 381 C LEU A 25 -5.734 3.155 -4.442 1.00 10.00 C ATOM 382 O LEU A 25 -5.025 3.209 -5.438 1.00 10.00 O ATOM 383 CB LEU A 25 -3.731 3.357 -2.921 1.00 10.00 C ATOM 384 CG LEU A 25 -3.211 3.586 -1.502 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.875 2.672 -0.506 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.688 3.448 -1.443 1.00 10.00 C ATOM 0 H LEU A 25 -4.471 0.935 -3.867 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.755 3.105 -2.284 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.019 2.711 -3.434 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.719 4.317 -3.437 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.469 4.608 -1.226 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.477 2.868 0.489 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.950 2.851 -0.508 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.680 1.635 -0.777 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.347 3.616 -0.422 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.401 2.446 -1.761 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.230 4.184 -2.104 1.00 10.00 H new ATOM 398 N HIS A 26 -7.039 3.431 -4.481 1.00 10.00 N ATOM 399 CA HIS A 26 -7.740 3.846 -5.696 1.00 10.00 C ATOM 400 C HIS A 26 -7.723 2.729 -6.742 1.00 10.00 C ATOM 401 O HIS A 26 -7.312 2.933 -7.884 1.00 10.00 O ATOM 402 CB HIS A 26 -7.180 5.153 -6.284 1.00 10.00 C ATOM 403 CG HIS A 26 -6.993 6.247 -5.275 1.00 10.00 C ATOM 404 ND1 HIS A 26 -7.945 7.150 -4.866 1.00 10.00 N ATOM 405 CD2 HIS A 26 -5.853 6.484 -4.559 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.382 7.917 -3.919 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.112 7.540 -3.687 1.00 10.00 N ATOM 0 H HIS A 26 -7.644 3.372 -3.662 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.773 4.045 -5.412 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.222 4.944 -6.759 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -7.853 5.505 -7.066 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -4.919 5.949 -4.652 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -7.882 8.728 -3.411 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -5.467 7.946 -3.009 1.00 10.00 H new ATOM 415 N TYR A 27 -8.170 1.539 -6.333 1.00 10.00 N ATOM 416 CA TYR A 27 -8.295 0.367 -7.193 1.00 10.00 C ATOM 417 C TYR A 27 -6.947 -0.074 -7.774 1.00 10.00 C ATOM 418 O TYR A 27 -6.919 -0.785 -8.775 1.00 10.00 O ATOM 419 CB TYR A 27 -9.332 0.618 -8.304 1.00 10.00 C ATOM 420 CG TYR A 27 -10.672 1.191 -7.869 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.220 0.885 -6.607 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.403 1.995 -8.765 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.471 1.403 -6.236 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.667 2.491 -8.402 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.202 2.192 -7.137 1.00 10.00 C ATOM 426 OH TYR A 27 -14.428 2.664 -6.778 1.00 10.00 O ATOM 0 H TYR A 27 -8.461 1.363 -5.371 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.649 -0.456 -6.573 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.892 1.298 -9.034 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.516 -0.326 -8.818 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.676 0.250 -5.923 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.991 2.231 -9.735 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.872 1.194 -5.255 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.227 3.102 -9.095 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.802 3.194 -7.512 1.00 10.00 H new ATOM 436 N LYS A 28 -5.835 0.329 -7.152 1.00 10.00 N ATOM 437 CA LYS A 28 -4.479 0.078 -7.611 1.00 10.00 C ATOM 438 C LYS A 28 -3.701 -0.575 -6.476 1.00 10.00 C ATOM 439 O LYS A 28 -3.805 -0.115 -5.336 1.00 10.00 O ATOM 440 CB LYS A 28 -3.841 1.405 -8.013 1.00 10.00 C ATOM 441 CG LYS A 28 -4.469 2.004 -9.272 1.00 10.00 C ATOM 442 CD LYS A 28 -3.446 1.997 -10.415 1.00 10.00 C ATOM 443 CE LYS A 28 -3.927 2.848 -11.592 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.137 4.250 -11.179 1.00 10.00 N ATOM 0 H LYS A 28 -5.864 0.859 -6.281 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.474 -0.586 -8.475 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.938 2.114 -7.191 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.774 1.255 -8.180 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.351 1.431 -9.558 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -4.801 3.023 -9.075 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -2.491 2.378 -10.054 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -3.276 0.973 -10.748 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.194 2.808 -12.398 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.857 2.438 -11.986 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.709 4.887 -11.882 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.157 4.443 -11.112 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.693 4.409 -10.252 1.00 10.00 H new ATOM 458 N VAL A 29 -2.963 -1.647 -6.785 1.00 10.00 N ATOM 459 CA VAL A 29 -2.220 -2.433 -5.813 1.00 10.00 C ATOM 460 C VAL A 29 -0.738 -2.029 -5.791 1.00 10.00 C ATOM 461 O VAL A 29 -0.113 -1.862 -6.844 1.00 10.00 O ATOM 462 CB VAL A 29 -2.389 -3.934 -6.099 1.00 10.00 C ATOM 463 CG1 VAL A 29 -2.082 -4.743 -4.834 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.801 -4.293 -6.567 1.00 10.00 C ATOM 0 H VAL A 29 -2.868 -1.994 -7.740 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.626 -2.229 -4.822 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.692 -4.177 -6.901 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.204 -5.806 -5.043 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -1.057 -4.550 -4.519 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.767 -4.449 -4.039 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.861 -5.365 -6.754 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.521 -4.018 -5.796 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.029 -3.752 -7.485 1.00 10.00 H new ATOM 474 N TYR A 30 -0.181 -1.885 -4.582 1.00 10.00 N ATOM 475 CA TYR A 30 1.170 -1.394 -4.326 1.00 10.00 C ATOM 476 C TYR A 30 1.900 -2.350 -3.374 1.00 10.00 C ATOM 477 O TYR A 30 1.461 -2.519 -2.239 1.00 10.00 O ATOM 478 CB TYR A 30 1.058 0.003 -3.700 1.00 10.00 C ATOM 479 CG TYR A 30 0.436 1.038 -4.619 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.242 1.787 -5.494 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.960 1.209 -4.649 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.658 2.753 -6.334 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.537 2.148 -5.522 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.727 2.951 -6.332 1.00 10.00 C ATOM 485 OH TYR A 30 -1.274 3.901 -7.143 1.00 10.00 O ATOM 0 H TYR A 30 -0.683 -2.118 -3.725 1.00 10.00 H new ATOM 0 HA TYR A 30 1.739 -1.340 -5.254 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.464 -0.064 -2.789 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.052 0.341 -3.408 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.309 1.621 -5.521 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.590 0.618 -4.000 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.283 3.346 -6.985 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.611 2.250 -5.567 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.247 3.912 -7.024 1.00 10.00 H new ATOM 495 N ASP A 31 3.007 -2.960 -3.821 1.00 10.00 N ATOM 496 CA ASP A 31 3.828 -3.857 -3.007 1.00 10.00 C ATOM 497 C ASP A 31 4.904 -3.062 -2.272 1.00 10.00 C ATOM 498 O ASP A 31 6.008 -2.906 -2.781 1.00 10.00 O ATOM 499 CB ASP A 31 4.491 -4.916 -3.900 1.00 10.00 C ATOM 500 CG ASP A 31 5.511 -5.760 -3.140 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.097 -6.356 -2.124 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.675 -5.824 -3.584 1.00 10.00 O ATOM 0 H ASP A 31 3.359 -2.840 -4.771 1.00 10.00 H new ATOM 0 HA ASP A 31 3.187 -4.351 -2.277 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.723 -5.567 -4.318 1.00 10.00 H new ATOM 0 HB3 ASP A 31 4.983 -4.424 -4.739 1.00 10.00 H new ATOM 507 N LEU A 32 4.612 -2.550 -1.074 1.00 10.00 N ATOM 508 CA LEU A 32 5.582 -1.750 -0.328 1.00 10.00 C ATOM 509 C LEU A 32 6.298 -2.610 0.717 1.00 10.00 C ATOM 510 O LEU A 32 6.929 -2.081 1.631 1.00 10.00 O ATOM 511 CB LEU A 32 4.940 -0.508 0.299 1.00 10.00 C ATOM 512 CG LEU A 32 3.987 0.249 -0.650 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.733 0.675 0.122 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.747 1.417 -1.295 1.00 10.00 C ATOM 0 H LEU A 32 3.716 -2.675 -0.603 1.00 10.00 H new ATOM 0 HA LEU A 32 6.329 -1.388 -1.034 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.388 -0.807 1.190 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.728 0.171 0.625 1.00 10.00 H new ATOM 0 HG LEU A 32 3.644 -0.390 -1.464 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.058 1.210 -0.546 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.230 -0.209 0.515 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.018 1.327 0.948 1.00 10.00 H new ATOM 0 HD21 LEU A 32 4.081 1.958 -1.967 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.104 2.092 -0.518 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.597 1.031 -1.859 1.00 10.00 H new ATOM 526 N THR A 33 6.229 -3.937 0.574 1.00 10.00 N ATOM 527 CA THR A 33 6.925 -4.897 1.414 1.00 10.00 C ATOM 528 C THR A 33 8.398 -4.549 1.580 1.00 10.00 C ATOM 529 O THR A 33 8.948 -4.695 2.671 1.00 10.00 O ATOM 530 CB THR A 33 6.711 -6.294 0.817 1.00 10.00 C ATOM 531 OG1 THR A 33 5.434 -6.692 1.241 1.00 10.00 O ATOM 532 CG2 THR A 33 7.718 -7.347 1.285 1.00 10.00 C ATOM 0 H THR A 33 5.668 -4.379 -0.154 1.00 10.00 H new ATOM 0 HA THR A 33 6.515 -4.872 2.423 1.00 10.00 H new ATOM 0 HB THR A 33 6.833 -6.228 -0.264 1.00 10.00 H new ATOM 0 HG1 THR A 33 4.974 -7.152 0.508 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.491 -8.303 0.813 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.725 -7.036 1.008 1.00 10.00 H new ATOM 0 HG23 THR A 33 7.656 -7.453 2.368 1.00 10.00 H new ATOM 540 N LYS A 34 9.030 -4.067 0.511 1.00 10.00 N ATOM 541 CA LYS A 34 10.428 -3.694 0.527 1.00 10.00 C ATOM 542 C LYS A 34 10.557 -2.175 0.655 1.00 10.00 C ATOM 543 O LYS A 34 11.468 -1.586 0.086 1.00 10.00 O ATOM 544 CB LYS A 34 11.088 -4.294 -0.726 1.00 10.00 C ATOM 545 CG LYS A 34 12.527 -4.717 -0.429 1.00 10.00 C ATOM 546 CD LYS A 34 13.031 -5.689 -1.506 1.00 10.00 C ATOM 547 CE LYS A 34 14.514 -6.012 -1.287 1.00 10.00 C ATOM 548 NZ LYS A 34 15.385 -4.892 -1.702 1.00 10.00 N ATOM 0 H LYS A 34 8.577 -3.927 -0.392 1.00 10.00 H new ATOM 0 HA LYS A 34 10.956 -4.096 1.392 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.514 -5.155 -1.069 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.078 -3.562 -1.534 1.00 10.00 H new ATOM 0 HG2 LYS A 34 13.171 -3.838 -0.393 1.00 10.00 H new ATOM 0 HG3 LYS A 34 12.579 -5.191 0.551 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.445 -6.608 -1.478 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.890 -5.251 -2.494 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.686 -6.236 -0.234 1.00 10.00 H new ATOM 0 HE3 LYS A 34 14.779 -6.907 -1.850 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.382 -5.172 -1.603 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.190 -4.650 -2.695 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.197 -4.065 -1.101 1.00 10.00 H new ATOM 562 N PHE A 35 9.630 -1.552 1.395 1.00 10.00 N ATOM 563 CA PHE A 35 9.602 -0.120 1.655 1.00 10.00 C ATOM 564 C PHE A 35 9.046 0.191 3.050 1.00 10.00 C ATOM 565 O PHE A 35 8.749 1.343 3.350 1.00 10.00 O ATOM 566 CB PHE A 35 8.780 0.571 0.557 1.00 10.00 C ATOM 567 CG PHE A 35 9.340 1.889 0.041 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.715 2.016 -0.245 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.476 2.966 -0.238 1.00 10.00 C ATOM 570 CE1 PHE A 35 11.234 3.229 -0.723 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.990 4.167 -0.761 1.00 10.00 C ATOM 572 CZ PHE A 35 10.371 4.305 -0.987 1.00 10.00 C ATOM 0 H PHE A 35 8.860 -2.052 1.839 1.00 10.00 H new ATOM 0 HA PHE A 35 10.622 0.264 1.636 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.683 -0.115 -0.284 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.775 0.750 0.940 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.374 1.173 -0.095 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.417 2.870 -0.050 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.296 3.335 -0.888 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.322 4.985 -0.989 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.767 5.237 -1.363 1.00 10.00 H new ATOM 582 N LEU A 36 8.894 -0.814 3.918 1.00 10.00 N ATOM 583 CA LEU A 36 8.280 -0.627 5.226 1.00 10.00 C ATOM 584 C LEU A 36 9.153 0.264 6.099 1.00 10.00 C ATOM 585 O LEU A 36 8.734 1.342 6.513 1.00 10.00 O ATOM 586 CB LEU A 36 8.052 -1.994 5.885 1.00 10.00 C ATOM 587 CG LEU A 36 7.082 -2.869 5.085 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.068 -4.275 5.687 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.672 -2.273 5.090 1.00 10.00 C ATOM 0 H LEU A 36 9.192 -1.771 3.731 1.00 10.00 H new ATOM 0 HA LEU A 36 7.316 -0.133 5.106 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.007 -2.511 5.985 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.661 -1.849 6.892 1.00 10.00 H new ATOM 0 HG LEU A 36 7.417 -2.916 4.049 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.380 -4.905 5.124 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.070 -4.701 5.641 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.744 -4.223 6.726 1.00 10.00 H new ATOM 0 HD21 LEU A 36 5.004 -2.914 4.515 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.311 -2.201 6.116 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.695 -1.279 4.643 1.00 10.00 H new ATOM 601 N GLU A 37 10.374 -0.197 6.363 1.00 10.00 N ATOM 602 CA GLU A 37 11.370 0.532 7.129 1.00 10.00 C ATOM 603 C GLU A 37 11.725 1.860 6.445 1.00 10.00 C ATOM 604 O GLU A 37 12.049 2.839 7.113 1.00 10.00 O ATOM 605 CB GLU A 37 12.574 -0.393 7.365 1.00 10.00 C ATOM 606 CG GLU A 37 13.234 -0.924 6.080 1.00 10.00 C ATOM 607 CD GLU A 37 14.159 -2.097 6.387 1.00 10.00 C ATOM 608 OE1 GLU A 37 15.325 -1.825 6.744 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.675 -3.246 6.270 1.00 10.00 O ATOM 0 H GLU A 37 10.701 -1.108 6.041 1.00 10.00 H new ATOM 0 HA GLU A 37 10.978 0.817 8.105 1.00 10.00 H new ATOM 0 HB2 GLU A 37 13.322 0.147 7.946 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.252 -1.241 7.969 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.465 -1.238 5.374 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.800 -0.125 5.601 1.00 10.00 H new ATOM 616 N GLU A 38 11.633 1.896 5.112 1.00 10.00 N ATOM 617 CA GLU A 38 11.886 3.080 4.310 1.00 10.00 C ATOM 618 C GLU A 38 10.794 4.142 4.513 1.00 10.00 C ATOM 619 O GLU A 38 11.084 5.335 4.575 1.00 10.00 O ATOM 620 CB GLU A 38 12.005 2.660 2.841 1.00 10.00 C ATOM 621 CG GLU A 38 13.125 1.622 2.629 1.00 10.00 C ATOM 622 CD GLU A 38 13.837 1.810 1.292 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.376 2.919 1.087 1.00 10.00 O ATOM 624 OE2 GLU A 38 13.826 0.851 0.493 1.00 10.00 O ATOM 0 H GLU A 38 11.374 1.081 4.556 1.00 10.00 H new ATOM 0 HA GLU A 38 12.821 3.541 4.628 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.056 2.244 2.504 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.203 3.539 2.227 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.850 1.701 3.439 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.702 0.618 2.676 1.00 10.00 H new ATOM 631 N HIS A 39 9.528 3.723 4.576 1.00 10.00 N ATOM 632 CA HIS A 39 8.393 4.638 4.614 1.00 10.00 C ATOM 633 C HIS A 39 8.389 5.493 5.898 1.00 10.00 C ATOM 634 O HIS A 39 8.341 4.948 7.004 1.00 10.00 O ATOM 635 CB HIS A 39 7.097 3.838 4.468 1.00 10.00 C ATOM 636 CG HIS A 39 5.848 4.678 4.510 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.050 4.825 5.613 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.239 5.318 3.459 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.982 5.541 5.234 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.048 5.886 3.931 1.00 10.00 N ATOM 0 H HIS A 39 9.264 2.738 4.602 1.00 10.00 H new ATOM 0 HA HIS A 39 8.477 5.336 3.781 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.124 3.293 3.525 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.049 3.095 5.264 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.612 5.374 2.447 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.168 5.809 5.891 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.375 6.441 3.403 1.00 10.00 H new ATOM 648 N PRO A 40 8.369 6.833 5.783 1.00 10.00 N ATOM 649 CA PRO A 40 8.589 7.738 6.906 1.00 10.00 C ATOM 650 C PRO A 40 7.490 7.637 7.964 1.00 10.00 C ATOM 651 O PRO A 40 7.746 7.882 9.140 1.00 10.00 O ATOM 652 CB PRO A 40 8.669 9.142 6.302 1.00 10.00 C ATOM 653 CG PRO A 40 7.856 9.022 5.016 1.00 10.00 C ATOM 654 CD PRO A 40 8.115 7.586 4.565 1.00 10.00 C ATOM 0 HA PRO A 40 9.506 7.479 7.436 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.251 9.892 6.973 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.699 9.434 6.100 1.00 10.00 H new ATOM 0 HG2 PRO A 40 6.796 9.202 5.193 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.181 9.743 4.266 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.257 7.183 4.027 1.00 10.00 H new ATOM 0 HD3 PRO A 40 8.968 7.536 3.888 1.00 10.00 H new ATOM 662 N GLY A 41 6.270 7.259 7.563 1.00 10.00 N ATOM 663 CA GLY A 41 5.169 7.023 8.487 1.00 10.00 C ATOM 664 C GLY A 41 5.497 6.003 9.581 1.00 10.00 C ATOM 665 O GLY A 41 4.824 5.988 10.609 1.00 10.00 O ATOM 0 H GLY A 41 6.024 7.110 6.584 1.00 10.00 H new ATOM 0 HA2 GLY A 41 4.888 7.967 8.954 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.302 6.675 7.925 1.00 10.00 H new ATOM 669 N GLY A 42 6.500 5.142 9.364 1.00 10.00 N ATOM 670 CA GLY A 42 6.898 4.140 10.335 1.00 10.00 C ATOM 671 C GLY A 42 6.245 2.802 10.001 1.00 10.00 C ATOM 672 O GLY A 42 5.047 2.729 9.709 1.00 10.00 O ATOM 0 H GLY A 42 7.052 5.129 8.507 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.983 4.034 10.337 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.607 4.456 11.337 1.00 10.00 H new ATOM 676 N GLU A 43 7.045 1.736 10.027 1.00 10.00 N ATOM 677 CA GLU A 43 6.605 0.378 9.770 1.00 10.00 C ATOM 678 C GLU A 43 5.639 -0.124 10.842 1.00 10.00 C ATOM 679 O GLU A 43 5.985 -0.871 11.754 1.00 10.00 O ATOM 680 CB GLU A 43 7.805 -0.543 9.632 1.00 10.00 C ATOM 681 CG GLU A 43 8.906 -0.300 10.677 1.00 10.00 C ATOM 682 CD GLU A 43 9.685 -1.580 10.957 1.00 10.00 C ATOM 683 OE1 GLU A 43 9.741 -2.428 10.038 1.00 10.00 O ATOM 684 OE2 GLU A 43 10.166 -1.710 12.101 1.00 10.00 O ATOM 0 H GLU A 43 8.042 1.802 10.233 1.00 10.00 H new ATOM 0 HA GLU A 43 6.054 0.376 8.829 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.467 -1.576 9.709 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.231 -0.421 8.636 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.586 0.473 10.321 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.460 0.068 11.601 1.00 10.00 H new ATOM 691 N ALA A 44 4.389 0.266 10.667 1.00 10.00 N ATOM 692 CA ALA A 44 3.287 -0.056 11.554 1.00 10.00 C ATOM 693 C ALA A 44 1.994 0.212 10.806 1.00 10.00 C ATOM 694 O ALA A 44 1.321 -0.727 10.394 1.00 10.00 O ATOM 695 CB ALA A 44 3.388 0.768 12.841 1.00 10.00 C ATOM 0 H ALA A 44 4.103 0.838 9.872 1.00 10.00 H new ATOM 0 HA ALA A 44 3.317 -1.105 11.850 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.556 0.518 13.499 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.329 0.543 13.344 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.352 1.830 12.597 1.00 10.00 H new ATOM 701 N VAL A 45 1.671 1.486 10.576 1.00 10.00 N ATOM 702 CA VAL A 45 0.440 1.868 9.900 1.00 10.00 C ATOM 703 C VAL A 45 0.329 1.157 8.546 1.00 10.00 C ATOM 704 O VAL A 45 -0.702 0.541 8.264 1.00 10.00 O ATOM 705 CB VAL A 45 0.327 3.400 9.825 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.352 4.034 8.876 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.096 3.811 9.431 1.00 10.00 C ATOM 0 H VAL A 45 2.255 2.275 10.853 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.423 1.535 10.476 1.00 10.00 H new ATOM 0 HB VAL A 45 0.552 3.779 10.822 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.220 5.116 8.868 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.360 3.794 9.216 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.206 3.643 7.869 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.160 4.898 9.382 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.340 3.389 8.456 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.801 3.439 10.174 1.00 10.00 H new ATOM 717 N LEU A 46 1.403 1.161 7.738 1.00 10.00 N ATOM 718 CA LEU A 46 1.385 0.394 6.500 1.00 10.00 C ATOM 719 C LEU A 46 1.060 -1.078 6.750 1.00 10.00 C ATOM 720 O LEU A 46 0.249 -1.662 6.039 1.00 10.00 O ATOM 721 CB LEU A 46 2.724 0.533 5.761 1.00 10.00 C ATOM 722 CG LEU A 46 2.839 1.852 4.987 1.00 10.00 C ATOM 723 CD1 LEU A 46 4.167 1.876 4.229 1.00 10.00 C ATOM 724 CD2 LEU A 46 1.708 1.974 3.966 1.00 10.00 C ATOM 0 H LEU A 46 2.266 1.673 7.919 1.00 10.00 H new ATOM 0 HA LEU A 46 0.593 0.802 5.872 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.540 0.466 6.481 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.841 -0.301 5.069 1.00 10.00 H new ATOM 0 HG LEU A 46 2.781 2.677 5.698 1.00 10.00 H new ATOM 0 HD11 LEU A 46 4.254 2.812 3.677 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.992 1.795 4.937 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.203 1.039 3.532 1.00 10.00 H new ATOM 0 HD21 LEU A 46 1.805 2.916 3.426 1.00 10.00 H new ATOM 0 HD22 LEU A 46 1.763 1.144 3.261 1.00 10.00 H new ATOM 0 HD23 LEU A 46 0.748 1.949 4.482 1.00 10.00 H new ATOM 736 N ARG A 47 1.680 -1.676 7.765 1.00 10.00 N ATOM 737 CA ARG A 47 1.505 -3.085 8.075 1.00 10.00 C ATOM 738 C ARG A 47 0.081 -3.365 8.566 1.00 10.00 C ATOM 739 O ARG A 47 -0.440 -4.456 8.366 1.00 10.00 O ATOM 740 CB ARG A 47 2.540 -3.490 9.133 1.00 10.00 C ATOM 741 CG ARG A 47 2.815 -4.999 9.127 1.00 10.00 C ATOM 742 CD ARG A 47 3.998 -5.366 8.218 1.00 10.00 C ATOM 743 NE ARG A 47 5.033 -6.114 8.947 1.00 10.00 N ATOM 744 CZ ARG A 47 5.891 -5.634 9.862 1.00 10.00 C ATOM 745 NH1 ARG A 47 5.927 -4.325 10.126 1.00 10.00 N ATOM 746 NH2 ARG A 47 6.705 -6.473 10.513 1.00 10.00 N ATOM 0 H ARG A 47 2.319 -1.191 8.395 1.00 10.00 H new ATOM 0 HA ARG A 47 1.657 -3.677 7.173 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.471 -2.952 8.953 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.185 -3.191 10.119 1.00 10.00 H new ATOM 0 HG2 ARG A 47 3.022 -5.334 10.144 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.923 -5.529 8.792 1.00 10.00 H new ATOM 0 HD2 ARG A 47 3.641 -5.963 7.379 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.432 -4.457 7.801 1.00 10.00 H new ATOM 0 HE ARG A 47 5.108 -7.109 8.734 1.00 10.00 H new ATOM 0 HH11 ARG A 47 5.302 -3.688 9.632 1.00 10.00 H new ATOM 0 HH12 ARG A 47 6.579 -3.963 10.821 1.00 10.00 H new ATOM 0 HH21 ARG A 47 6.672 -7.473 10.314 1.00 10.00 H new ATOM 0 HH22 ARG A 47 7.358 -6.113 11.209 1.00 10.00 H new ATOM 760 N ALA A 48 -0.537 -2.391 9.237 1.00 10.00 N ATOM 761 CA ALA A 48 -1.863 -2.536 9.813 1.00 10.00 C ATOM 762 C ALA A 48 -2.919 -2.476 8.712 1.00 10.00 C ATOM 763 O ALA A 48 -3.807 -3.320 8.648 1.00 10.00 O ATOM 764 CB ALA A 48 -2.088 -1.447 10.867 1.00 10.00 C ATOM 0 H ALA A 48 -0.122 -1.473 9.394 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.948 -3.506 10.303 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.083 -1.558 11.298 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.340 -1.542 11.654 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.002 -0.466 10.400 1.00 10.00 H new ATOM 770 N GLN A 49 -2.823 -1.463 7.847 1.00 10.00 N ATOM 771 CA GLN A 49 -3.719 -1.299 6.717 1.00 10.00 C ATOM 772 C GLN A 49 -3.403 -2.266 5.576 1.00 10.00 C ATOM 773 O GLN A 49 -4.222 -2.425 4.671 1.00 10.00 O ATOM 774 CB GLN A 49 -3.630 0.153 6.252 1.00 10.00 C ATOM 775 CG GLN A 49 -4.674 1.021 6.952 1.00 10.00 C ATOM 776 CD GLN A 49 -4.520 1.071 8.468 1.00 10.00 C ATOM 777 OE1 GLN A 49 -3.774 1.894 8.990 1.00 10.00 O ATOM 778 NE2 GLN A 49 -5.246 0.221 9.190 1.00 10.00 N ATOM 0 H GLN A 49 -2.114 -0.733 7.918 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.736 -1.535 7.031 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.633 0.543 6.456 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.777 0.202 5.173 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.613 2.035 6.557 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -5.667 0.644 6.710 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.856 -0.451 8.725 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.192 0.241 10.208 1.00 10.00 H new ATOM 787 N ALA A 50 -2.221 -2.885 5.589 1.00 10.00 N ATOM 788 CA ALA A 50 -1.866 -3.889 4.606 1.00 10.00 C ATOM 789 C ALA A 50 -2.953 -4.957 4.456 1.00 10.00 C ATOM 790 O ALA A 50 -3.626 -5.324 5.416 1.00 10.00 O ATOM 791 CB ALA A 50 -0.568 -4.586 4.999 1.00 10.00 C ATOM 0 H ALA A 50 -1.493 -2.701 6.279 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.749 -3.366 3.657 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.317 -5.337 4.250 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.235 -3.852 5.061 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.693 -5.069 5.968 1.00 10.00 H new ATOM 797 N GLY A 51 -3.086 -5.477 3.239 1.00 10.00 N ATOM 798 CA GLY A 51 -4.073 -6.463 2.871 1.00 10.00 C ATOM 799 C GLY A 51 -5.478 -5.933 3.123 1.00 10.00 C ATOM 800 O GLY A 51 -6.312 -6.617 3.706 1.00 10.00 O ATOM 0 H GLY A 51 -2.484 -5.208 2.461 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.960 -6.724 1.819 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.914 -7.376 3.445 1.00 10.00 H new ATOM 804 N GLY A 52 -5.749 -4.716 2.654 1.00 10.00 N ATOM 805 CA GLY A 52 -7.048 -4.094 2.791 1.00 10.00 C ATOM 806 C GLY A 52 -7.104 -2.860 1.903 1.00 10.00 C ATOM 807 O GLY A 52 -6.126 -2.522 1.222 1.00 10.00 O ATOM 0 H GLY A 52 -5.064 -4.138 2.167 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.833 -4.796 2.509 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.225 -3.818 3.830 1.00 10.00 H new ATOM 811 N ASP A 53 -8.251 -2.183 1.913 1.00 10.00 N ATOM 812 CA ASP A 53 -8.359 -0.858 1.352 1.00 10.00 C ATOM 813 C ASP A 53 -7.610 0.085 2.285 1.00 10.00 C ATOM 814 O ASP A 53 -7.740 0.013 3.506 1.00 10.00 O ATOM 815 CB ASP A 53 -9.833 -0.461 1.219 1.00 10.00 C ATOM 816 CG ASP A 53 -10.529 -0.405 2.572 1.00 10.00 C ATOM 817 OD1 ASP A 53 -10.563 -1.478 3.217 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.999 0.699 2.920 1.00 10.00 O ATOM 0 H ASP A 53 -9.119 -2.543 2.309 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.927 -0.814 0.352 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.905 0.512 0.733 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.345 -1.177 0.576 1.00 10.00 H new ATOM 823 N ALA A 54 -6.797 0.967 1.711 1.00 10.00 N ATOM 824 CA ALA A 54 -6.189 2.040 2.479 1.00 10.00 C ATOM 825 C ALA A 54 -6.292 3.341 1.701 1.00 10.00 C ATOM 826 O ALA A 54 -5.510 4.258 1.927 1.00 10.00 O ATOM 827 CB ALA A 54 -4.751 1.660 2.825 1.00 10.00 C ATOM 0 H ALA A 54 -6.547 0.957 0.722 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.716 2.192 3.421 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.291 2.463 3.401 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.749 0.743 3.414 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.185 1.503 1.907 1.00 10.00 H new ATOM 833 N THR A 55 -7.258 3.425 0.781 1.00 10.00 N ATOM 834 CA THR A 55 -7.423 4.583 -0.078 1.00 10.00 C ATOM 835 C THR A 55 -7.726 5.804 0.799 1.00 10.00 C ATOM 836 O THR A 55 -7.014 6.806 0.754 1.00 10.00 O ATOM 837 CB THR A 55 -8.505 4.295 -1.138 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.240 3.092 -1.844 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.502 5.396 -2.190 1.00 10.00 C ATOM 0 H THR A 55 -7.943 2.688 0.617 1.00 10.00 H new ATOM 0 HA THR A 55 -6.510 4.802 -0.632 1.00 10.00 H new ATOM 0 HB THR A 55 -9.453 4.228 -0.605 1.00 10.00 H new ATOM 0 HG1 THR A 55 -9.018 2.855 -2.390 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.268 5.188 -2.937 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.710 6.354 -1.714 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.526 5.435 -2.673 1.00 10.00 H new ATOM 847 N ALA A 56 -8.750 5.687 1.650 1.00 10.00 N ATOM 848 CA ALA A 56 -9.121 6.734 2.592 1.00 10.00 C ATOM 849 C ALA A 56 -7.942 7.118 3.490 1.00 10.00 C ATOM 850 O ALA A 56 -7.646 8.298 3.630 1.00 10.00 O ATOM 851 CB ALA A 56 -10.337 6.290 3.411 1.00 10.00 C ATOM 0 H ALA A 56 -9.343 4.859 1.701 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.394 7.629 2.032 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.610 7.077 4.114 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.175 6.095 2.742 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.093 5.381 3.961 1.00 10.00 H new ATOM 857 N ASN A 57 -7.262 6.139 4.095 1.00 10.00 N ATOM 858 CA ASN A 57 -6.122 6.404 4.975 1.00 10.00 C ATOM 859 C ASN A 57 -5.014 7.154 4.226 1.00 10.00 C ATOM 860 O ASN A 57 -4.503 8.168 4.701 1.00 10.00 O ATOM 861 CB ASN A 57 -5.581 5.098 5.581 1.00 10.00 C ATOM 862 CG ASN A 57 -6.360 4.659 6.820 1.00 10.00 C ATOM 863 OD1 ASN A 57 -7.577 4.788 6.873 1.00 10.00 O ATOM 864 ND2 ASN A 57 -5.671 4.140 7.834 1.00 10.00 N ATOM 0 H ASN A 57 -7.484 5.149 3.989 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.469 7.038 5.791 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.624 4.308 4.831 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.532 5.231 5.844 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -6.156 3.839 8.679 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.658 4.043 7.766 1.00 10.00 H new ATOM 871 N PHE A 58 -4.639 6.644 3.052 1.00 10.00 N ATOM 872 CA PHE A 58 -3.639 7.240 2.180 1.00 10.00 C ATOM 873 C PHE A 58 -3.967 8.713 1.920 1.00 10.00 C ATOM 874 O PHE A 58 -3.140 9.596 2.155 1.00 10.00 O ATOM 875 CB PHE A 58 -3.586 6.434 0.876 1.00 10.00 C ATOM 876 CG PHE A 58 -2.585 6.925 -0.147 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.216 6.696 0.056 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.020 7.548 -1.332 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.275 7.135 -0.889 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.081 7.974 -2.287 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.707 7.775 -2.063 1.00 10.00 C ATOM 0 H PHE A 58 -5.036 5.783 2.676 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.659 7.210 2.655 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.354 5.397 1.118 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.577 6.442 0.423 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.884 6.179 0.944 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.075 7.699 -1.507 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.780 6.981 -0.714 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.415 8.455 -3.194 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.015 8.113 -2.792 1.00 10.00 H new ATOM 891 N GLU A 59 -5.188 8.973 1.453 1.00 10.00 N ATOM 892 CA GLU A 59 -5.640 10.322 1.147 1.00 10.00 C ATOM 893 C GLU A 59 -5.704 11.194 2.404 1.00 10.00 C ATOM 894 O GLU A 59 -5.304 12.353 2.365 1.00 10.00 O ATOM 895 CB GLU A 59 -7.000 10.242 0.457 1.00 10.00 C ATOM 896 CG GLU A 59 -6.869 9.593 -0.928 1.00 10.00 C ATOM 897 CD GLU A 59 -6.829 10.636 -2.041 1.00 10.00 C ATOM 898 OE1 GLU A 59 -7.907 11.212 -2.298 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.744 10.818 -2.633 1.00 10.00 O ATOM 0 H GLU A 59 -5.888 8.252 1.278 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.922 10.796 0.478 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.691 9.664 1.071 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.422 11.242 0.357 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -5.962 8.990 -0.962 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.708 8.917 -1.093 1.00 10.00 H new ATOM 906 N ALA A 60 -6.198 10.647 3.520 1.00 10.00 N ATOM 907 CA ALA A 60 -6.302 11.351 4.794 1.00 10.00 C ATOM 908 C ALA A 60 -4.961 11.964 5.194 1.00 10.00 C ATOM 909 O ALA A 60 -4.916 13.106 5.644 1.00 10.00 O ATOM 910 CB ALA A 60 -6.821 10.412 5.889 1.00 10.00 C ATOM 0 H ALA A 60 -6.541 9.687 3.560 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.018 12.164 4.673 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.891 10.956 6.831 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.807 10.038 5.611 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.134 9.573 6.005 1.00 10.00 H new ATOM 916 N VAL A 61 -3.873 11.207 5.035 1.00 10.00 N ATOM 917 CA VAL A 61 -2.532 11.736 5.260 1.00 10.00 C ATOM 918 C VAL A 61 -2.251 12.914 4.323 1.00 10.00 C ATOM 919 O VAL A 61 -1.729 13.939 4.754 1.00 10.00 O ATOM 920 CB VAL A 61 -1.503 10.612 5.079 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.071 11.161 5.049 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.660 9.603 6.220 1.00 10.00 C ATOM 0 H VAL A 61 -3.897 10.227 4.752 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.457 12.112 6.280 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.685 10.123 4.122 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.632 10.338 4.920 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.033 11.861 4.220 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.141 11.675 5.986 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.932 8.801 6.099 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.493 10.103 7.174 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.667 9.186 6.201 1.00 10.00 H new ATOM 932 N GLY A 62 -2.566 12.750 3.037 1.00 10.00 N ATOM 933 CA GLY A 62 -2.359 13.758 2.011 1.00 10.00 C ATOM 934 C GLY A 62 -1.565 13.153 0.860 1.00 10.00 C ATOM 935 O GLY A 62 -2.132 12.885 -0.193 1.00 10.00 O ATOM 0 H GLY A 62 -2.981 11.890 2.678 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.319 14.128 1.650 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -1.824 14.612 2.427 1.00 10.00 H new ATOM 939 N HIS A 63 -0.262 12.933 1.083 1.00 10.00 N ATOM 940 CA HIS A 63 0.694 12.403 0.109 1.00 10.00 C ATOM 941 C HIS A 63 0.857 13.326 -1.114 1.00 10.00 C ATOM 942 O HIS A 63 0.018 13.359 -2.011 1.00 10.00 O ATOM 943 CB HIS A 63 0.348 10.959 -0.294 1.00 10.00 C ATOM 944 CG HIS A 63 0.563 9.936 0.799 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.407 9.426 1.627 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.729 9.272 1.081 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.170 8.484 2.395 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.474 8.335 2.092 1.00 10.00 N ATOM 0 H HIS A 63 0.170 13.129 1.986 1.00 10.00 H new ATOM 0 HA HIS A 63 1.666 12.375 0.601 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.695 10.923 -0.609 1.00 10.00 H new ATOM 0 HB3 HIS A 63 0.951 10.682 -1.158 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.386 9.710 1.655 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.683 9.442 0.605 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.346 7.919 3.157 1.00 10.00 H new ATOM 956 N SER A 64 1.970 14.067 -1.169 1.00 10.00 N ATOM 957 CA SER A 64 2.289 14.970 -2.270 1.00 10.00 C ATOM 958 C SER A 64 2.403 14.255 -3.625 1.00 10.00 C ATOM 959 O SER A 64 2.445 13.027 -3.712 1.00 10.00 O ATOM 960 CB SER A 64 3.600 15.693 -1.935 1.00 10.00 C ATOM 961 OG SER A 64 3.479 16.336 -0.684 1.00 10.00 O ATOM 0 H SER A 64 2.681 14.053 -0.438 1.00 10.00 H new ATOM 0 HA SER A 64 1.468 15.679 -2.375 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.424 14.980 -1.911 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.833 16.423 -2.710 1.00 10.00 H new ATOM 0 HG SER A 64 4.317 16.796 -0.470 1.00 10.00 H new ATOM 967 N THR A 65 2.518 15.045 -4.697 1.00 10.00 N ATOM 968 CA THR A 65 2.774 14.572 -6.050 1.00 10.00 C ATOM 969 C THR A 65 3.891 13.531 -6.065 1.00 10.00 C ATOM 970 O THR A 65 3.725 12.447 -6.619 1.00 10.00 O ATOM 971 CB THR A 65 3.152 15.774 -6.921 1.00 10.00 C ATOM 972 OG1 THR A 65 4.091 16.563 -6.212 1.00 10.00 O ATOM 973 CG2 THR A 65 1.927 16.638 -7.239 1.00 10.00 C ATOM 0 H THR A 65 2.432 16.060 -4.640 1.00 10.00 H new ATOM 0 HA THR A 65 1.877 14.094 -6.442 1.00 10.00 H new ATOM 0 HB THR A 65 3.569 15.408 -7.859 1.00 10.00 H new ATOM 0 HG1 THR A 65 4.345 17.337 -6.757 1.00 10.00 H new ATOM 0 HG21 THR A 65 2.228 17.483 -7.858 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.189 16.040 -7.774 1.00 10.00 H new ATOM 0 HG23 THR A 65 1.491 17.006 -6.311 1.00 10.00 H new ATOM 981 N ASP A 66 5.010 13.865 -5.423 1.00 10.00 N ATOM 982 CA ASP A 66 6.162 12.986 -5.298 1.00 10.00 C ATOM 983 C ASP A 66 5.736 11.597 -4.835 1.00 10.00 C ATOM 984 O ASP A 66 6.088 10.599 -5.448 1.00 10.00 O ATOM 985 CB ASP A 66 7.169 13.595 -4.315 1.00 10.00 C ATOM 986 CG ASP A 66 8.591 13.271 -4.746 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.017 13.875 -5.753 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.214 12.430 -4.067 1.00 10.00 O ATOM 0 H ASP A 66 5.139 14.769 -4.969 1.00 10.00 H new ATOM 0 HA ASP A 66 6.634 12.883 -6.275 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.033 14.676 -4.268 1.00 10.00 H new ATOM 0 HB3 ASP A 66 6.989 13.207 -3.312 1.00 10.00 H new ATOM 993 N ALA A 67 4.913 11.534 -3.787 1.00 10.00 N ATOM 994 CA ALA A 67 4.365 10.280 -3.285 1.00 10.00 C ATOM 995 C ALA A 67 3.450 9.609 -4.316 1.00 10.00 C ATOM 996 O ALA A 67 3.545 8.398 -4.514 1.00 10.00 O ATOM 997 CB ALA A 67 3.651 10.491 -1.947 1.00 10.00 C ATOM 0 H ALA A 67 4.609 12.355 -3.264 1.00 10.00 H new ATOM 0 HA ALA A 67 5.199 9.600 -3.111 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.251 9.540 -1.594 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.358 10.882 -1.215 1.00 10.00 H new ATOM 0 HB3 ALA A 67 2.835 11.202 -2.078 1.00 10.00 H new ATOM 1003 N ARG A 68 2.571 10.377 -4.972 1.00 10.00 N ATOM 1004 CA ARG A 68 1.674 9.864 -6.010 1.00 10.00 C ATOM 1005 C ARG A 68 2.463 9.232 -7.172 1.00 10.00 C ATOM 1006 O ARG A 68 2.002 8.269 -7.785 1.00 10.00 O ATOM 1007 CB ARG A 68 0.736 10.978 -6.515 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.213 11.496 -5.419 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.964 12.786 -5.794 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.230 12.543 -6.509 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.408 12.536 -7.841 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -1.352 12.589 -8.660 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.646 12.481 -8.347 1.00 10.00 N ATOM 0 H ARG A 68 2.463 11.376 -4.795 1.00 10.00 H new ATOM 0 HA ARG A 68 1.062 9.078 -5.567 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.334 11.807 -6.894 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.147 10.601 -7.351 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.941 10.719 -5.188 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.362 11.675 -4.510 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -1.172 13.353 -4.886 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.318 13.405 -6.416 1.00 10.00 H new ATOM 0 HE ARG A 68 -3.054 12.362 -5.935 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -0.409 12.635 -8.274 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -1.490 12.584 -9.671 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.451 12.445 -7.722 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -3.784 12.476 -9.358 1.00 10.00 H new ATOM 1027 N GLU A 69 3.636 9.783 -7.491 1.00 10.00 N ATOM 1028 CA GLU A 69 4.512 9.305 -8.558 1.00 10.00 C ATOM 1029 C GLU A 69 5.410 8.169 -8.057 1.00 10.00 C ATOM 1030 O GLU A 69 5.683 7.197 -8.756 1.00 10.00 O ATOM 1031 CB GLU A 69 5.318 10.495 -9.083 1.00 10.00 C ATOM 1032 CG GLU A 69 4.590 11.168 -10.255 1.00 10.00 C ATOM 1033 CD GLU A 69 4.927 10.497 -11.583 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.913 10.944 -12.205 1.00 10.00 O ATOM 1035 OE2 GLU A 69 4.190 9.553 -11.946 1.00 10.00 O ATOM 0 H GLU A 69 4.011 10.595 -7.000 1.00 10.00 H new ATOM 0 HA GLU A 69 3.924 8.889 -9.376 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.473 11.217 -8.282 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.304 10.159 -9.405 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.514 11.126 -10.088 1.00 10.00 H new ATOM 0 HG3 GLU A 69 4.865 12.222 -10.299 1.00 10.00 H new ATOM 1042 N LEU A 70 5.862 8.264 -6.814 1.00 10.00 N ATOM 1043 CA LEU A 70 6.662 7.234 -6.186 1.00 10.00 C ATOM 1044 C LEU A 70 5.846 5.945 -6.152 1.00 10.00 C ATOM 1045 O LEU A 70 6.261 4.909 -6.665 1.00 10.00 O ATOM 1046 CB LEU A 70 7.114 7.750 -4.815 1.00 10.00 C ATOM 1047 CG LEU A 70 7.962 6.830 -3.934 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.696 5.789 -4.745 1.00 10.00 C ATOM 1049 CD2 LEU A 70 8.928 7.637 -3.061 1.00 10.00 C ATOM 0 H LEU A 70 5.679 9.067 -6.212 1.00 10.00 H new ATOM 0 HA LEU A 70 7.571 7.001 -6.740 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.679 8.668 -4.976 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.221 8.019 -4.251 1.00 10.00 H new ATOM 0 HG LEU A 70 7.278 6.297 -3.274 1.00 10.00 H new ATOM 0 HD11 LEU A 70 9.285 5.158 -4.079 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.976 5.174 -5.285 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.358 6.282 -5.457 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.517 6.957 -2.446 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.594 8.220 -3.698 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.361 8.310 -2.417 1.00 10.00 H new ATOM 1061 N SER A 71 4.650 6.013 -5.587 1.00 10.00 N ATOM 1062 CA SER A 71 3.725 4.895 -5.585 1.00 10.00 C ATOM 1063 C SER A 71 3.592 4.268 -6.979 1.00 10.00 C ATOM 1064 O SER A 71 3.690 3.051 -7.105 1.00 10.00 O ATOM 1065 CB SER A 71 2.380 5.323 -5.002 1.00 10.00 C ATOM 1066 OG SER A 71 1.618 6.093 -5.906 1.00 10.00 O ATOM 0 H SER A 71 4.295 6.846 -5.117 1.00 10.00 H new ATOM 0 HA SER A 71 4.127 4.113 -4.941 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.813 4.437 -4.717 1.00 10.00 H new ATOM 0 HB3 SER A 71 2.549 5.899 -4.092 1.00 10.00 H new ATOM 0 HG SER A 71 2.208 6.705 -6.393 1.00 10.00 H new ATOM 1072 N LYS A 72 3.402 5.066 -8.036 1.00 10.00 N ATOM 1073 CA LYS A 72 3.405 4.568 -9.413 1.00 10.00 C ATOM 1074 C LYS A 72 4.626 3.676 -9.708 1.00 10.00 C ATOM 1075 O LYS A 72 4.485 2.634 -10.342 1.00 10.00 O ATOM 1076 CB LYS A 72 3.312 5.732 -10.409 1.00 10.00 C ATOM 1077 CG LYS A 72 1.891 6.280 -10.589 1.00 10.00 C ATOM 1078 CD LYS A 72 1.266 5.697 -11.864 1.00 10.00 C ATOM 1079 CE LYS A 72 0.033 6.505 -12.282 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.561 5.979 -13.529 1.00 10.00 N ATOM 0 H LYS A 72 3.243 6.071 -7.960 1.00 10.00 H new ATOM 0 HA LYS A 72 2.522 3.940 -9.534 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.963 6.539 -10.072 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.689 5.401 -11.377 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.280 6.023 -9.724 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.916 7.368 -10.650 1.00 10.00 H new ATOM 0 HD2 LYS A 72 2.000 5.702 -12.670 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.985 4.657 -11.695 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.709 6.477 -11.484 1.00 10.00 H new ATOM 0 HE3 LYS A 72 0.311 7.549 -12.422 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.393 6.548 -13.784 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 0.140 6.028 -14.295 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.849 4.990 -13.386 1.00 10.00 H new ATOM 1094 N THR A 73 5.809 4.041 -9.212 1.00 10.00 N ATOM 1095 CA THR A 73 7.042 3.262 -9.339 1.00 10.00 C ATOM 1096 C THR A 73 6.996 1.943 -8.541 1.00 10.00 C ATOM 1097 O THR A 73 7.786 1.042 -8.810 1.00 10.00 O ATOM 1098 CB THR A 73 8.252 4.171 -9.000 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.687 4.827 -10.173 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.458 3.480 -8.355 1.00 10.00 C ATOM 0 H THR A 73 5.940 4.911 -8.696 1.00 10.00 H new ATOM 0 HA THR A 73 7.157 2.932 -10.371 1.00 10.00 H new ATOM 0 HB THR A 73 7.873 4.860 -8.245 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.451 5.404 -9.961 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.240 4.215 -8.164 1.00 10.00 H new ATOM 0 HG22 THR A 73 9.154 3.021 -7.414 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.839 2.711 -9.027 1.00 10.00 H new ATOM 1108 N PHE A 74 6.070 1.806 -7.587 1.00 10.00 N ATOM 1109 CA PHE A 74 5.861 0.616 -6.764 1.00 10.00 C ATOM 1110 C PHE A 74 4.631 -0.167 -7.217 1.00 10.00 C ATOM 1111 O PHE A 74 4.358 -1.246 -6.691 1.00 10.00 O ATOM 1112 CB PHE A 74 5.665 1.038 -5.303 1.00 10.00 C ATOM 1113 CG PHE A 74 6.954 1.093 -4.525 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.849 2.157 -4.709 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.322 -0.003 -3.731 1.00 10.00 C ATOM 1116 CE1 PHE A 74 9.068 2.170 -4.012 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.553 -0.012 -3.064 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.411 1.092 -3.176 1.00 10.00 C ATOM 0 H PHE A 74 5.418 2.556 -7.359 1.00 10.00 H new ATOM 0 HA PHE A 74 6.738 -0.023 -6.867 1.00 10.00 H new ATOM 0 HB2 PHE A 74 5.189 2.018 -5.275 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.984 0.339 -4.817 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.602 2.963 -5.384 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.652 -0.845 -3.634 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.742 3.007 -4.118 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.840 -0.864 -2.466 1.00 10.00 H new ATOM 0 HZ PHE A 74 10.336 1.114 -2.620 1.00 10.00 H new ATOM 1128 N ILE A 75 3.845 0.400 -8.131 1.00 10.00 N ATOM 1129 CA ILE A 75 2.596 -0.199 -8.557 1.00 10.00 C ATOM 1130 C ILE A 75 2.865 -1.583 -9.157 1.00 10.00 C ATOM 1131 O ILE A 75 3.740 -1.728 -10.009 1.00 10.00 O ATOM 1132 CB ILE A 75 1.866 0.784 -9.497 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.397 0.952 -9.102 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.029 0.482 -10.996 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.475 -0.150 -9.659 1.00 10.00 C ATOM 0 H ILE A 75 4.061 1.284 -8.591 1.00 10.00 H new ATOM 0 HA ILE A 75 1.924 -0.374 -7.716 1.00 10.00 H new ATOM 0 HB ILE A 75 2.370 1.740 -9.355 1.00 10.00 H new ATOM 0 HG12 ILE A 75 0.314 0.964 -8.015 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.034 1.916 -9.460 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.482 1.224 -11.578 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.085 0.519 -11.262 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.635 -0.511 -11.212 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.508 0.013 -9.352 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.415 -0.146 -10.747 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.131 -1.113 -9.280 1.00 10.00 H new ATOM 1147 N ILE A 76 2.130 -2.600 -8.701 1.00 10.00 N ATOM 1148 CA ILE A 76 2.298 -3.973 -9.182 1.00 10.00 C ATOM 1149 C ILE A 76 1.180 -4.362 -10.145 1.00 10.00 C ATOM 1150 O ILE A 76 1.366 -5.218 -11.009 1.00 10.00 O ATOM 1151 CB ILE A 76 2.404 -4.958 -8.007 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.332 -4.673 -6.946 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.816 -4.878 -7.410 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.144 -5.834 -5.977 1.00 10.00 C ATOM 0 H ILE A 76 1.405 -2.496 -7.991 1.00 10.00 H new ATOM 0 HA ILE A 76 3.234 -4.023 -9.738 1.00 10.00 H new ATOM 0 HB ILE A 76 2.228 -5.970 -8.371 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.608 -3.779 -6.387 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.384 -4.460 -7.440 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.898 -5.574 -6.576 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.549 -5.138 -8.173 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.005 -3.864 -7.056 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.375 -5.579 -5.248 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.840 -6.723 -6.529 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.083 -6.032 -5.459 1.00 10.00 H new ATOM 1166 N GLY A 77 0.011 -3.741 -10.004 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.123 -4.002 -10.853 1.00 10.00 C ATOM 1168 C GLY A 77 -2.342 -3.351 -10.227 1.00 10.00 C ATOM 1169 O GLY A 77 -2.218 -2.479 -9.368 1.00 10.00 O ATOM 0 H GLY A 77 -0.166 -3.038 -9.287 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.950 -3.603 -11.852 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.278 -5.075 -10.961 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.519 -3.784 -10.657 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.778 -3.134 -10.361 1.00 10.00 C ATOM 1175 C GLU A 78 -5.716 -4.092 -9.643 1.00 10.00 C ATOM 1176 O GLU A 78 -5.451 -5.283 -9.478 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.368 -2.527 -11.653 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.672 -1.024 -11.537 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.352 -0.249 -12.807 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -4.159 0.086 -12.979 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -6.308 0.036 -13.557 1.00 10.00 O ATOM 0 H GLU A 78 -3.622 -4.618 -11.235 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.622 -2.304 -9.672 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.668 -2.687 -12.473 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.285 -3.057 -11.909 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.726 -0.891 -11.293 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.098 -0.606 -10.710 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.817 -3.530 -9.176 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.843 -4.276 -8.483 1.00 10.00 C ATOM 1190 C LEU A 79 -8.514 -5.217 -9.482 1.00 10.00 C ATOM 1191 O LEU A 79 -8.898 -4.786 -10.569 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.839 -3.271 -7.919 1.00 10.00 C ATOM 1193 CG LEU A 79 -10.013 -3.951 -7.213 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.616 -4.439 -5.811 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.163 -2.950 -7.188 1.00 10.00 C ATOM 0 H LEU A 79 -7.022 -2.535 -9.270 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.434 -4.874 -7.668 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.328 -2.612 -7.217 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.217 -2.645 -8.727 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.324 -4.848 -7.748 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.473 -4.917 -5.336 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.799 -5.156 -5.893 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.294 -3.590 -5.208 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.024 -3.397 -6.691 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.855 -2.056 -6.646 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.433 -2.681 -8.209 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.675 -6.485 -9.118 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.288 -7.485 -9.985 1.00 10.00 C ATOM 1209 C HIS A 80 -10.683 -7.063 -10.459 1.00 10.00 C ATOM 1210 O HIS A 80 -11.455 -6.483 -9.694 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.346 -8.824 -9.249 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.319 -10.036 -10.135 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.385 -10.844 -10.433 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.213 -10.569 -10.741 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -9.942 -11.828 -11.227 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.624 -11.700 -11.452 1.00 10.00 N ATOM 0 H HIS A 80 -8.383 -6.849 -8.211 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.672 -7.584 -10.879 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.505 -8.879 -8.558 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.255 -8.852 -8.648 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.205 -10.185 -10.681 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.560 -12.616 -11.631 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.040 -12.307 -12.027 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.046 -7.385 -11.709 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.375 -7.113 -12.228 1.00 10.00 C ATOM 1226 C PRO A 81 -13.473 -7.955 -11.563 1.00 10.00 C ATOM 1227 O PRO A 81 -14.644 -7.712 -11.832 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.282 -7.326 -13.740 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.108 -8.290 -13.905 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.191 -7.953 -12.738 1.00 10.00 C ATOM 0 HA PRO A 81 -12.679 -6.092 -11.997 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.204 -7.747 -14.141 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.105 -6.388 -14.265 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.436 -9.329 -13.868 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.606 -8.148 -14.862 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.680 -8.844 -12.373 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.420 -7.244 -13.040 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.110 -8.915 -10.702 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.055 -9.708 -9.914 1.00 10.00 C ATOM 1240 C ASP A 82 -14.403 -9.027 -8.579 1.00 10.00 C ATOM 1241 O ASP A 82 -15.418 -9.346 -7.968 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.469 -11.107 -9.676 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.515 -12.115 -9.223 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.498 -12.291 -9.974 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.264 -12.749 -8.176 1.00 10.00 O ATOM 0 H ASP A 82 -12.135 -9.164 -10.533 1.00 10.00 H new ATOM 0 HA ASP A 82 -14.985 -9.793 -10.476 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.003 -11.462 -10.595 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.683 -11.043 -8.924 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.545 -8.110 -8.106 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.760 -7.388 -6.852 1.00 10.00 C ATOM 1252 C ASP A 83 -14.814 -6.294 -7.057 1.00 10.00 C ATOM 1253 O ASP A 83 -15.790 -6.210 -6.312 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.411 -6.822 -6.379 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.507 -5.872 -5.190 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.249 -4.874 -5.274 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.756 -6.123 -4.229 1.00 10.00 O ATOM 0 H ASP A 83 -12.683 -7.851 -8.586 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.141 -8.054 -6.078 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.756 -7.652 -6.113 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.940 -6.297 -7.210 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.567 -5.457 -8.068 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.352 -4.270 -8.379 1.00 10.00 C ATOM 1264 C ARG A 84 -16.802 -4.582 -8.759 1.00 10.00 C ATOM 1265 O ARG A 84 -17.630 -3.656 -8.611 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.661 -3.495 -9.509 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.624 -4.309 -10.813 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.775 -3.619 -11.884 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.353 -3.551 -11.495 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.432 -2.801 -12.124 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.781 -2.098 -13.206 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.171 -2.755 -11.690 1.00 10.00 N ATOM 0 H ARG A 84 -13.788 -5.596 -8.711 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.402 -3.666 -7.473 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.186 -2.555 -9.681 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.644 -3.242 -9.209 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.221 -5.301 -10.612 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.639 -4.447 -11.185 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.869 -4.159 -12.826 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.154 -2.611 -12.055 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.050 -4.109 -10.697 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.741 -2.133 -13.549 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -11.087 -1.527 -13.688 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.894 -3.294 -10.870 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.484 -2.181 -12.179 1.00 10.00 H new