USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 598 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 71 LYS NZ :NH3+ -110:sc=-0.00596 (180deg=-0.0442) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.692 K(o=0.69,f=-0.0011) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -140:sc=0.000622 (180deg=-0.0745) USER MOD Set 2.2: A 33 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.1) USER MOD Set 3.1: A 21 ASN : amide:sc= 1.07 K(o=3.2,f=1.8) USER MOD Set 3.2: A 22 GLN : amide:sc= 2.11 K(o=3.2,f=1.8) USER MOD Set 4.1: A 12 LYS NZ :NH3+ -129:sc= 1.19 (180deg=-0.123) USER MOD Set 4.2: A 13 TYR OH : rot 156:sc=-0.00717 USER MOD Set 4.3: A 34 THR OG1 : rot 67:sc= 1.79 USER MOD Single : A 1 LYS N :NH3+ -133:sc= 0.0928 (180deg=-0.477) USER MOD Single : A 1 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.062) USER MOD Single : A 2 SER OG : rot 180:sc=-0.000177 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= 0.711 (180deg=0.293) USER MOD Single : A 16 LYS NZ :NH3+ -104:sc= 0.0616 (180deg=-0.00588) USER MOD Single : A 24 SER OG : rot 180:sc= 0.619 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.725 (180deg=0.697) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 34:sc= 0.976 USER MOD Single : A 45 THR OG1 : rot -78:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.19) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00264 USER MOD Single : A 67 GLN : amide:sc= -1.28 X(o=-1.3,f=-1.8) USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 0.918 (180deg=0.861) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -16.413 -4.550 -3.951 1.00 0.00 N ATOM 2 CA LYS A 1 -15.408 -3.586 -3.544 1.00 0.00 C ATOM 3 C LYS A 1 -15.389 -2.447 -4.568 1.00 0.00 C ATOM 4 O LYS A 1 -16.134 -2.479 -5.545 1.00 0.00 O ATOM 5 CB LYS A 1 -14.041 -4.275 -3.417 1.00 0.00 C ATOM 6 CG LYS A 1 -14.079 -5.401 -2.374 1.00 0.00 C ATOM 7 CD LYS A 1 -12.694 -6.048 -2.236 1.00 0.00 C ATOM 8 CE LYS A 1 -12.672 -7.121 -1.139 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.592 -8.234 -1.433 1.00 0.00 N ATOM 0 H1 LYS A 1 -17.002 -4.804 -3.132 1.00 0.00 H new ATOM 0 H2 LYS A 1 -17.012 -4.135 -4.693 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.946 -5.403 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 1 -15.645 -3.169 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.745 -4.682 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.286 -3.541 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.399 -5.003 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.811 -6.153 -2.668 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.405 -6.495 -3.187 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.955 -5.280 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -11.659 -7.508 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.944 -6.669 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.471 -8.982 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.573 -7.889 -1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.382 -8.618 -2.377 1.00 0.00 H new ATOM 25 N SER A 2 -14.545 -1.439 -4.349 1.00 0.00 N ATOM 26 CA SER A 2 -14.398 -0.277 -5.211 1.00 0.00 C ATOM 27 C SER A 2 -13.100 0.420 -4.791 1.00 0.00 C ATOM 28 O SER A 2 -12.636 0.179 -3.673 1.00 0.00 O ATOM 29 CB SER A 2 -15.624 0.636 -5.039 1.00 0.00 C ATOM 30 OG SER A 2 -15.767 1.032 -3.689 1.00 0.00 O ATOM 0 H SER A 2 -13.926 -1.412 -3.538 1.00 0.00 H new ATOM 0 HA SER A 2 -14.343 -0.546 -6.266 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.519 1.517 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.522 0.113 -5.367 1.00 0.00 H new ATOM 0 HG SER A 2 -16.551 1.613 -3.600 1.00 0.00 H new ATOM 36 N PRO A 3 -12.500 1.279 -5.636 1.00 0.00 N ATOM 37 CA PRO A 3 -11.289 2.006 -5.279 1.00 0.00 C ATOM 38 C PRO A 3 -11.459 2.755 -3.954 1.00 0.00 C ATOM 39 O PRO A 3 -10.503 2.875 -3.196 1.00 0.00 O ATOM 40 CB PRO A 3 -10.984 2.943 -6.454 1.00 0.00 C ATOM 41 CG PRO A 3 -12.309 3.029 -7.213 1.00 0.00 C ATOM 42 CD PRO A 3 -12.921 1.649 -6.978 1.00 0.00 C ATOM 0 HA PRO A 3 -10.451 1.329 -5.114 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.658 3.924 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.188 2.547 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.946 3.825 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.156 3.229 -8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.008 1.680 -7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.568 0.929 -7.716 1.00 0.00 H new ATOM 50 N GLU A 4 -12.672 3.237 -3.658 1.00 0.00 N ATOM 51 CA GLU A 4 -12.992 3.920 -2.412 1.00 0.00 C ATOM 52 C GLU A 4 -12.557 3.078 -1.205 1.00 0.00 C ATOM 53 O GLU A 4 -12.046 3.605 -0.221 1.00 0.00 O ATOM 54 CB GLU A 4 -14.499 4.211 -2.378 1.00 0.00 C ATOM 55 CG GLU A 4 -14.892 5.080 -1.174 1.00 0.00 C ATOM 56 CD GLU A 4 -16.382 5.409 -1.191 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.790 6.136 -2.122 1.00 0.00 O ATOM 58 OE2 GLU A 4 -17.084 4.930 -0.275 1.00 0.00 O ATOM 0 H GLU A 4 -13.467 3.159 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.447 4.863 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.791 4.715 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.049 3.271 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.643 4.559 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.313 6.004 -1.185 1.00 0.00 H new ATOM 65 N GLU A 5 -12.744 1.758 -1.273 1.00 0.00 N ATOM 66 CA GLU A 5 -12.370 0.874 -0.179 1.00 0.00 C ATOM 67 C GLU A 5 -10.853 0.854 -0.036 1.00 0.00 C ATOM 68 O GLU A 5 -10.322 0.901 1.069 1.00 0.00 O ATOM 69 CB GLU A 5 -12.890 -0.550 -0.422 1.00 0.00 C ATOM 70 CG GLU A 5 -14.367 -0.586 -0.831 1.00 0.00 C ATOM 71 CD GLU A 5 -15.264 0.189 0.129 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.285 -0.196 1.319 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.907 1.149 -0.347 1.00 0.00 O ATOM 0 H GLU A 5 -13.153 1.282 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.820 1.249 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.291 -1.022 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.755 -1.140 0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.472 -0.172 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.702 -1.622 -0.877 1.00 0.00 H new ATOM 80 N LEU A 6 -10.147 0.795 -1.165 1.00 0.00 N ATOM 81 CA LEU A 6 -8.693 0.721 -1.171 1.00 0.00 C ATOM 82 C LEU A 6 -8.138 2.049 -0.667 1.00 0.00 C ATOM 83 O LEU A 6 -7.135 2.081 0.040 1.00 0.00 O ATOM 84 CB LEU A 6 -8.178 0.338 -2.562 1.00 0.00 C ATOM 85 CG LEU A 6 -8.673 -1.051 -3.009 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.233 -1.300 -4.451 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.123 -2.185 -2.132 1.00 0.00 C ATOM 0 H LEU A 6 -10.567 0.797 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.344 -0.064 -0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.502 1.086 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.088 0.349 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.759 -1.051 -2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.580 -2.282 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.659 -0.534 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.145 -1.262 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.504 -3.141 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.034 -2.187 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.440 -2.033 -1.100 1.00 0.00 H new ATOM 99 N LYS A 7 -8.807 3.145 -1.015 1.00 0.00 N ATOM 100 CA LYS A 7 -8.474 4.476 -0.556 1.00 0.00 C ATOM 101 C LYS A 7 -8.659 4.527 0.957 1.00 0.00 C ATOM 102 O LYS A 7 -7.763 4.968 1.672 1.00 0.00 O ATOM 103 CB LYS A 7 -9.369 5.478 -1.293 1.00 0.00 C ATOM 104 CG LYS A 7 -9.140 6.945 -0.892 1.00 0.00 C ATOM 105 CD LYS A 7 -7.673 7.392 -0.937 1.00 0.00 C ATOM 106 CE LYS A 7 -7.545 8.866 -0.541 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.132 9.260 -0.399 1.00 0.00 N ATOM 0 H LYS A 7 -9.614 3.124 -1.639 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.437 4.734 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.202 5.376 -2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.412 5.221 -1.107 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.723 7.585 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.523 7.097 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.079 6.776 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.273 7.243 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.025 9.490 -1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.070 9.040 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.035 10.278 -0.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.809 9.053 0.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.553 8.727 -1.079 1.00 0.00 H new ATOM 121 N GLY A 8 -9.811 4.063 1.448 1.00 0.00 N ATOM 122 CA GLY A 8 -10.115 4.033 2.867 1.00 0.00 C ATOM 123 C GLY A 8 -9.029 3.260 3.607 1.00 0.00 C ATOM 124 O GLY A 8 -8.441 3.764 4.556 1.00 0.00 O ATOM 0 H GLY A 8 -10.560 3.696 0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.182 5.049 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.085 3.564 3.031 1.00 0.00 H new ATOM 128 N ILE A 9 -8.756 2.037 3.155 1.00 0.00 N ATOM 129 CA ILE A 9 -7.744 1.150 3.713 1.00 0.00 C ATOM 130 C ILE A 9 -6.375 1.846 3.712 1.00 0.00 C ATOM 131 O ILE A 9 -5.717 1.928 4.747 1.00 0.00 O ATOM 132 CB ILE A 9 -7.761 -0.159 2.904 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.080 -0.927 3.133 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.534 -1.034 3.174 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.071 -1.861 4.345 1.00 0.00 C ATOM 0 H ILE A 9 -9.251 1.625 2.364 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.957 0.908 4.754 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.709 0.112 1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.889 -0.206 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.304 -1.512 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.598 -1.944 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.631 -0.487 2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.499 -1.295 4.232 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.037 -2.358 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.287 -2.609 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.882 -1.282 5.249 1.00 0.00 H new ATOM 147 N PHE A 10 -5.949 2.354 2.552 1.00 0.00 N ATOM 148 CA PHE A 10 -4.686 3.064 2.398 1.00 0.00 C ATOM 149 C PHE A 10 -4.591 4.156 3.460 1.00 0.00 C ATOM 150 O PHE A 10 -3.627 4.200 4.215 1.00 0.00 O ATOM 151 CB PHE A 10 -4.594 3.682 0.992 1.00 0.00 C ATOM 152 CG PHE A 10 -3.444 4.653 0.796 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.574 5.967 1.285 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.173 4.201 0.396 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.445 6.626 1.783 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.046 5.003 0.646 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.171 6.149 1.451 1.00 0.00 C ATOM 0 H PHE A 10 -6.482 2.280 1.685 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.859 2.365 2.523 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.500 2.878 0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.529 4.200 0.776 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.535 6.461 1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.064 3.247 -0.098 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.555 7.494 2.417 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.088 4.740 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.289 6.658 1.811 1.00 0.00 H new ATOM 167 N GLU A 11 -5.594 5.038 3.510 1.00 0.00 N ATOM 168 CA GLU A 11 -5.628 6.151 4.442 1.00 0.00 C ATOM 169 C GLU A 11 -5.559 5.634 5.881 1.00 0.00 C ATOM 170 O GLU A 11 -4.792 6.145 6.694 1.00 0.00 O ATOM 171 CB GLU A 11 -6.889 6.998 4.196 1.00 0.00 C ATOM 172 CG GLU A 11 -6.656 8.479 4.538 1.00 0.00 C ATOM 173 CD GLU A 11 -5.822 9.232 3.497 1.00 0.00 C ATOM 174 OE1 GLU A 11 -5.522 8.638 2.437 1.00 0.00 O ATOM 175 OE2 GLU A 11 -5.533 10.417 3.770 1.00 0.00 O ATOM 0 H GLU A 11 -6.408 4.992 2.897 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.760 6.791 4.282 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.189 6.909 3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.711 6.610 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.621 8.974 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.158 8.544 5.505 1.00 0.00 H new ATOM 182 N LYS A 12 -6.365 4.613 6.188 1.00 0.00 N ATOM 183 CA LYS A 12 -6.432 3.996 7.500 1.00 0.00 C ATOM 184 C LYS A 12 -5.033 3.600 7.953 1.00 0.00 C ATOM 185 O LYS A 12 -4.625 3.984 9.044 1.00 0.00 O ATOM 186 CB LYS A 12 -7.396 2.800 7.498 1.00 0.00 C ATOM 187 CG LYS A 12 -7.707 2.325 8.925 1.00 0.00 C ATOM 188 CD LYS A 12 -8.713 1.163 8.941 1.00 0.00 C ATOM 189 CE LYS A 12 -8.107 -0.181 8.509 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.090 -0.660 9.463 1.00 0.00 N ATOM 0 H LYS A 12 -6.999 4.189 5.511 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.829 4.717 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.323 3.079 6.996 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.959 1.980 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.783 2.011 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.106 3.157 9.505 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.122 1.061 9.946 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.546 1.405 8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.899 -0.924 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.657 -0.075 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.220 -0.905 8.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.884 0.088 10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.448 -1.502 9.958 1.00 0.00 H new ATOM 204 N TYR A 13 -4.289 2.844 7.140 1.00 0.00 N ATOM 205 CA TYR A 13 -2.944 2.460 7.539 1.00 0.00 C ATOM 206 C TYR A 13 -2.024 3.681 7.534 1.00 0.00 C ATOM 207 O TYR A 13 -1.331 3.912 8.520 1.00 0.00 O ATOM 208 CB TYR A 13 -2.435 1.288 6.699 1.00 0.00 C ATOM 209 CG TYR A 13 -2.964 -0.036 7.208 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.247 -0.452 6.820 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.234 -0.804 8.140 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.829 -1.575 7.415 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.864 -1.870 8.805 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.178 -2.227 8.472 1.00 0.00 C ATOM 215 OH TYR A 13 -4.843 -3.156 9.209 1.00 0.00 O ATOM 0 H TYR A 13 -4.589 2.497 6.229 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.956 2.092 8.565 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.737 1.426 5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.345 1.275 6.715 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.785 0.096 6.061 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.198 -0.574 8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.781 -1.941 7.060 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.335 -2.415 9.573 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.199 -3.769 9.622 1.00 0.00 H new ATOM 225 N ALA A 14 -2.009 4.485 6.466 1.00 0.00 N ATOM 226 CA ALA A 14 -1.151 5.667 6.411 1.00 0.00 C ATOM 227 C ALA A 14 -1.282 6.540 7.671 1.00 0.00 C ATOM 228 O ALA A 14 -0.308 7.112 8.155 1.00 0.00 O ATOM 229 CB ALA A 14 -1.485 6.442 5.143 1.00 0.00 C ATOM 0 H ALA A 14 -2.579 4.338 5.633 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.107 5.354 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.855 7.329 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.307 5.810 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.533 6.742 5.165 1.00 0.00 H new ATOM 235 N ALA A 15 -2.494 6.643 8.221 1.00 0.00 N ATOM 236 CA ALA A 15 -2.762 7.419 9.423 1.00 0.00 C ATOM 237 C ALA A 15 -1.974 6.945 10.652 1.00 0.00 C ATOM 238 O ALA A 15 -1.748 7.749 11.552 1.00 0.00 O ATOM 239 CB ALA A 15 -4.266 7.417 9.713 1.00 0.00 C ATOM 0 H ALA A 15 -3.321 6.184 7.838 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.419 8.435 9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.464 7.999 10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.799 7.859 8.871 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.607 6.392 9.861 1.00 0.00 H new ATOM 245 N LYS A 16 -1.559 5.675 10.724 1.00 0.00 N ATOM 246 CA LYS A 16 -0.830 5.164 11.877 1.00 0.00 C ATOM 247 C LYS A 16 0.594 5.724 11.899 1.00 0.00 C ATOM 248 O LYS A 16 0.987 6.359 12.874 1.00 0.00 O ATOM 249 CB LYS A 16 -0.847 3.625 11.885 1.00 0.00 C ATOM 250 CG LYS A 16 -1.592 3.026 13.088 1.00 0.00 C ATOM 251 CD LYS A 16 -3.091 3.354 13.141 1.00 0.00 C ATOM 252 CE LYS A 16 -3.826 2.836 11.903 1.00 0.00 C ATOM 253 NZ LYS A 16 -5.265 3.143 11.963 1.00 0.00 N ATOM 0 H LYS A 16 -1.719 4.984 9.991 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.325 5.498 12.789 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.313 3.270 10.966 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.179 3.258 11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.471 1.943 13.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.123 3.384 14.004 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.529 2.912 14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.225 4.433 13.219 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.394 3.284 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.686 1.758 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.794 2.282 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.435 3.871 12.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.584 3.494 11.037 1.00 0.00 H new ATOM 267 N GLU A 17 1.374 5.483 10.841 1.00 0.00 N ATOM 268 CA GLU A 17 2.748 5.952 10.736 1.00 0.00 C ATOM 269 C GLU A 17 3.032 6.430 9.318 1.00 0.00 C ATOM 270 O GLU A 17 2.626 5.803 8.343 1.00 0.00 O ATOM 271 CB GLU A 17 3.752 4.844 11.079 1.00 0.00 C ATOM 272 CG GLU A 17 3.469 4.122 12.403 1.00 0.00 C ATOM 273 CD GLU A 17 4.560 3.104 12.728 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.030 2.443 11.775 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.913 3.011 13.923 1.00 0.00 O ATOM 0 H GLU A 17 1.061 4.951 10.029 1.00 0.00 H new ATOM 0 HA GLU A 17 2.863 6.770 11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.755 4.111 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.752 5.276 11.121 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.399 4.852 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.504 3.618 12.345 1.00 0.00 H new ATOM 282 N GLY A 18 3.773 7.534 9.228 1.00 0.00 N ATOM 283 CA GLY A 18 4.188 8.142 7.976 1.00 0.00 C ATOM 284 C GLY A 18 3.204 9.170 7.426 1.00 0.00 C ATOM 285 O GLY A 18 3.320 9.496 6.255 1.00 0.00 O ATOM 0 H GLY A 18 4.107 8.039 10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.156 8.623 8.121 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.330 7.357 7.233 1.00 0.00 H new ATOM 289 N ASP A 19 2.279 9.693 8.243 1.00 0.00 N ATOM 290 CA ASP A 19 1.266 10.691 7.885 1.00 0.00 C ATOM 291 C ASP A 19 0.147 10.085 7.022 1.00 0.00 C ATOM 292 O ASP A 19 0.439 9.298 6.130 1.00 0.00 O ATOM 293 CB ASP A 19 1.912 11.922 7.220 1.00 0.00 C ATOM 294 CG ASP A 19 0.894 12.975 6.795 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.225 12.735 5.765 1.00 0.00 O ATOM 296 OD2 ASP A 19 0.790 13.989 7.515 1.00 0.00 O ATOM 0 H ASP A 19 2.216 9.415 9.222 1.00 0.00 H new ATOM 0 HA ASP A 19 0.795 11.031 8.807 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.623 12.371 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.479 11.600 6.347 1.00 0.00 H new ATOM 301 N PRO A 20 -1.135 10.439 7.245 1.00 0.00 N ATOM 302 CA PRO A 20 -2.270 9.909 6.490 1.00 0.00 C ATOM 303 C PRO A 20 -2.123 9.890 4.964 1.00 0.00 C ATOM 304 O PRO A 20 -2.795 9.096 4.314 1.00 0.00 O ATOM 305 CB PRO A 20 -3.507 10.690 6.948 1.00 0.00 C ATOM 306 CG PRO A 20 -2.941 11.899 7.690 1.00 0.00 C ATOM 307 CD PRO A 20 -1.625 11.369 8.251 1.00 0.00 C ATOM 0 HA PRO A 20 -2.350 8.845 6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.120 10.996 6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.140 10.086 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.784 12.746 7.022 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.610 12.237 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.914 12.178 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.776 10.871 9.209 1.00 0.00 H new ATOM 315 N ASN A 21 -1.272 10.724 4.363 1.00 0.00 N ATOM 316 CA ASN A 21 -1.082 10.732 2.926 1.00 0.00 C ATOM 317 C ASN A 21 -0.067 9.676 2.462 1.00 0.00 C ATOM 318 O ASN A 21 -0.076 9.313 1.286 1.00 0.00 O ATOM 319 CB ASN A 21 -0.637 12.139 2.526 1.00 0.00 C ATOM 320 CG ASN A 21 -0.407 12.226 1.027 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.339 12.249 0.237 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.841 12.277 0.602 1.00 0.00 N ATOM 0 H ASN A 21 -0.702 11.406 4.863 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.021 10.472 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.394 12.864 2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.280 12.400 3.055 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.037 12.336 -0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.609 12.257 1.273 1.00 0.00 H new ATOM 329 N GLN A 22 0.809 9.178 3.348 1.00 0.00 N ATOM 330 CA GLN A 22 1.863 8.230 2.999 1.00 0.00 C ATOM 331 C GLN A 22 1.876 6.943 3.840 1.00 0.00 C ATOM 332 O GLN A 22 1.711 6.956 5.052 1.00 0.00 O ATOM 333 CB GLN A 22 3.237 8.912 3.122 1.00 0.00 C ATOM 334 CG GLN A 22 3.770 9.667 1.897 1.00 0.00 C ATOM 335 CD GLN A 22 4.062 11.124 2.241 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.261 12.009 1.970 1.00 0.00 O ATOM 337 NE2 GLN A 22 5.200 11.415 2.850 1.00 0.00 N ATOM 0 H GLN A 22 0.800 9.429 4.337 1.00 0.00 H new ATOM 0 HA GLN A 22 1.651 7.928 1.974 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.190 9.614 3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.968 8.149 3.390 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.678 9.185 1.535 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.040 9.619 1.089 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.863 10.673 3.073 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.414 12.381 3.096 1.00 0.00 H new ATOM 346 N LEU A 23 2.121 5.814 3.172 1.00 0.00 N ATOM 347 CA LEU A 23 2.260 4.490 3.773 1.00 0.00 C ATOM 348 C LEU A 23 3.749 4.241 4.017 1.00 0.00 C ATOM 349 O LEU A 23 4.478 3.975 3.066 1.00 0.00 O ATOM 350 CB LEU A 23 1.774 3.419 2.789 1.00 0.00 C ATOM 351 CG LEU A 23 0.301 3.026 2.876 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.010 2.055 1.726 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.076 2.316 4.172 1.00 0.00 C ATOM 0 H LEU A 23 2.232 5.799 2.158 1.00 0.00 H new ATOM 0 HA LEU A 23 1.681 4.443 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.973 3.771 1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.375 2.522 2.938 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.268 3.954 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.059 1.762 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.190 2.544 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.618 1.169 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.138 2.070 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.507 1.400 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.133 2.970 5.019 1.00 0.00 H new ATOM 365 N SER A 24 4.236 4.309 5.253 1.00 0.00 N ATOM 366 CA SER A 24 5.656 4.060 5.492 1.00 0.00 C ATOM 367 C SER A 24 6.019 2.604 5.174 1.00 0.00 C ATOM 368 O SER A 24 5.151 1.735 5.116 1.00 0.00 O ATOM 369 CB SER A 24 6.068 4.453 6.918 1.00 0.00 C ATOM 370 OG SER A 24 5.678 3.477 7.865 1.00 0.00 O ATOM 0 H SER A 24 3.687 4.528 6.084 1.00 0.00 H new ATOM 0 HA SER A 24 6.224 4.696 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.149 4.589 6.960 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.616 5.411 7.176 1.00 0.00 H new ATOM 0 HG SER A 24 5.958 3.760 8.761 1.00 0.00 H new ATOM 376 N LYS A 25 7.310 2.324 4.979 1.00 0.00 N ATOM 377 CA LYS A 25 7.794 0.970 4.749 1.00 0.00 C ATOM 378 C LYS A 25 7.293 0.066 5.876 1.00 0.00 C ATOM 379 O LYS A 25 6.758 -1.015 5.636 1.00 0.00 O ATOM 380 CB LYS A 25 9.322 1.020 4.614 1.00 0.00 C ATOM 381 CG LYS A 25 9.975 -0.354 4.451 1.00 0.00 C ATOM 382 CD LYS A 25 11.465 -0.165 4.135 1.00 0.00 C ATOM 383 CE LYS A 25 12.087 -1.446 3.578 1.00 0.00 C ATOM 384 NZ LYS A 25 12.053 -2.550 4.552 1.00 0.00 N ATOM 0 H LYS A 25 8.044 3.032 4.977 1.00 0.00 H new ATOM 0 HA LYS A 25 7.409 0.544 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.581 1.639 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.739 1.507 5.495 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.855 -0.938 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.488 -0.910 3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.585 0.643 3.413 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.995 0.134 5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.554 -1.744 2.675 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.120 -1.251 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.545 -3.377 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.525 -2.253 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.065 -2.801 4.758 1.00 0.00 H new ATOM 398 N GLU A 26 7.442 0.540 7.112 1.00 0.00 N ATOM 399 CA GLU A 26 6.948 -0.165 8.282 1.00 0.00 C ATOM 400 C GLU A 26 5.424 -0.295 8.181 1.00 0.00 C ATOM 401 O GLU A 26 4.880 -1.375 8.373 1.00 0.00 O ATOM 402 CB GLU A 26 7.379 0.569 9.563 1.00 0.00 C ATOM 403 CG GLU A 26 6.908 -0.145 10.841 1.00 0.00 C ATOM 404 CD GLU A 26 7.410 -1.584 10.931 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.647 -1.755 10.892 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.551 -2.488 11.025 1.00 0.00 O ATOM 0 H GLU A 26 7.908 1.422 7.325 1.00 0.00 H new ATOM 0 HA GLU A 26 7.375 -1.167 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.465 0.656 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.978 1.583 9.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.254 0.411 11.712 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.818 -0.142 10.874 1.00 0.00 H new ATOM 413 N GLU A 27 4.720 0.795 7.873 1.00 0.00 N ATOM 414 CA GLU A 27 3.269 0.785 7.756 1.00 0.00 C ATOM 415 C GLU A 27 2.781 -0.302 6.793 1.00 0.00 C ATOM 416 O GLU A 27 1.796 -0.992 7.068 1.00 0.00 O ATOM 417 CB GLU A 27 2.780 2.169 7.319 1.00 0.00 C ATOM 418 CG GLU A 27 1.281 2.355 7.541 1.00 0.00 C ATOM 419 CD GLU A 27 0.882 2.177 9.001 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.574 2.768 9.855 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.098 1.442 9.236 1.00 0.00 O ATOM 0 H GLU A 27 5.143 1.707 7.699 1.00 0.00 H new ATOM 0 HA GLU A 27 2.848 0.549 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.324 2.935 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.009 2.315 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.988 3.350 7.206 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.734 1.638 6.928 1.00 0.00 H new ATOM 428 N LEU A 28 3.465 -0.461 5.656 1.00 0.00 N ATOM 429 CA LEU A 28 3.089 -1.472 4.684 1.00 0.00 C ATOM 430 C LEU A 28 3.043 -2.856 5.339 1.00 0.00 C ATOM 431 O LEU A 28 2.139 -3.631 5.042 1.00 0.00 O ATOM 432 CB LEU A 28 4.032 -1.430 3.477 1.00 0.00 C ATOM 433 CG LEU A 28 3.434 -2.142 2.246 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.284 -1.343 1.618 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.498 -2.364 1.166 1.00 0.00 C ATOM 0 H LEU A 28 4.277 0.098 5.394 1.00 0.00 H new ATOM 0 HA LEU A 28 2.085 -1.258 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.250 -0.392 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.979 -1.899 3.742 1.00 0.00 H new ATOM 0 HG LEU A 28 3.054 -3.098 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.895 -1.883 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.489 -1.211 2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.650 -0.367 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.048 -2.868 0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.902 -1.402 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.302 -2.980 1.568 1.00 0.00 H new ATOM 447 N LYS A 29 3.988 -3.165 6.236 1.00 0.00 N ATOM 448 CA LYS A 29 4.037 -4.447 6.941 1.00 0.00 C ATOM 449 C LYS A 29 2.664 -4.751 7.537 1.00 0.00 C ATOM 450 O LYS A 29 2.011 -5.723 7.169 1.00 0.00 O ATOM 451 CB LYS A 29 5.111 -4.423 8.043 1.00 0.00 C ATOM 452 CG LYS A 29 5.227 -5.738 8.822 1.00 0.00 C ATOM 453 CD LYS A 29 6.022 -6.772 8.023 1.00 0.00 C ATOM 454 CE LYS A 29 6.006 -8.164 8.663 1.00 0.00 C ATOM 455 NZ LYS A 29 6.425 -8.138 10.075 1.00 0.00 N ATOM 0 H LYS A 29 4.742 -2.528 6.492 1.00 0.00 H new ATOM 0 HA LYS A 29 4.303 -5.232 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.076 -4.192 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.884 -3.617 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.715 -5.557 9.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.232 -6.126 9.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.613 -6.837 7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.054 -6.434 7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.002 -8.582 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.667 -8.826 8.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.026 -8.963 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.961 -7.266 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.585 -8.166 10.687 1.00 0.00 H new ATOM 469 N LEU A 30 2.227 -3.910 8.469 1.00 0.00 N ATOM 470 CA LEU A 30 0.933 -4.018 9.108 1.00 0.00 C ATOM 471 C LEU A 30 -0.199 -4.158 8.078 1.00 0.00 C ATOM 472 O LEU A 30 -1.086 -4.994 8.248 1.00 0.00 O ATOM 473 CB LEU A 30 0.699 -2.901 10.140 1.00 0.00 C ATOM 474 CG LEU A 30 1.820 -1.890 10.436 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.260 -0.768 11.320 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.985 -2.524 11.203 1.00 0.00 C ATOM 0 H LEU A 30 2.779 -3.120 8.804 1.00 0.00 H new ATOM 0 HA LEU A 30 0.926 -4.944 9.683 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.173 -2.334 9.814 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.434 -3.379 11.083 1.00 0.00 H new ATOM 0 HG LEU A 30 2.182 -1.521 9.476 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.048 -0.046 11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.443 -0.268 10.800 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.891 -1.191 12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.751 -1.771 11.388 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.624 -2.916 12.154 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.410 -3.336 10.613 1.00 0.00 H new ATOM 488 N LEU A 31 -0.173 -3.366 7.003 1.00 0.00 N ATOM 489 CA LEU A 31 -1.187 -3.448 5.951 1.00 0.00 C ATOM 490 C LEU A 31 -1.246 -4.867 5.371 1.00 0.00 C ATOM 491 O LEU A 31 -2.314 -5.473 5.261 1.00 0.00 O ATOM 492 CB LEU A 31 -0.880 -2.434 4.837 1.00 0.00 C ATOM 493 CG LEU A 31 -2.126 -1.764 4.228 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.769 -1.075 2.908 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.306 -2.698 3.973 1.00 0.00 C ATOM 0 H LEU A 31 0.543 -2.658 6.839 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.157 -3.210 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.225 -1.660 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.329 -2.939 4.044 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.448 -1.050 4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.660 -0.606 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.009 -0.314 3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.383 -1.813 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.132 -2.131 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.005 -3.483 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.624 -3.148 4.914 1.00 0.00 H new ATOM 507 N LEU A 32 -0.077 -5.397 5.003 1.00 0.00 N ATOM 508 CA LEU A 32 0.076 -6.733 4.440 1.00 0.00 C ATOM 509 C LEU A 32 -0.439 -7.759 5.434 1.00 0.00 C ATOM 510 O LEU A 32 -1.228 -8.631 5.098 1.00 0.00 O ATOM 511 CB LEU A 32 1.542 -7.018 4.075 1.00 0.00 C ATOM 512 CG LEU A 32 2.064 -6.080 2.978 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.594 -6.007 2.988 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.592 -6.511 1.588 1.00 0.00 C ATOM 0 H LEU A 32 0.807 -4.895 5.092 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.507 -6.796 3.521 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.162 -6.913 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.636 -8.051 3.741 1.00 0.00 H new ATOM 0 HG LEU A 32 1.655 -5.093 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.931 -5.335 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.934 -5.633 3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.007 -7.001 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.983 -5.821 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.953 -7.518 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.503 -6.502 1.555 1.00 0.00 H new ATOM 526 N GLN A 33 0.008 -7.645 6.677 1.00 0.00 N ATOM 527 CA GLN A 33 -0.361 -8.551 7.727 1.00 0.00 C ATOM 528 C GLN A 33 -1.875 -8.572 7.965 1.00 0.00 C ATOM 529 O GLN A 33 -2.430 -9.644 8.184 1.00 0.00 O ATOM 530 CB GLN A 33 0.420 -8.130 8.967 1.00 0.00 C ATOM 531 CG GLN A 33 1.887 -8.580 8.900 1.00 0.00 C ATOM 532 CD GLN A 33 2.638 -8.352 10.210 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.420 -9.184 10.645 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.433 -7.225 10.875 1.00 0.00 N ATOM 0 H GLN A 33 0.645 -6.907 6.976 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.110 -9.576 7.455 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.377 -7.046 9.072 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.050 -8.555 9.854 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.926 -9.639 8.644 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.391 -8.040 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.780 -6.530 10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.928 -7.052 11.750 1.00 0.00 H new ATOM 543 N THR A 34 -2.543 -7.413 7.941 1.00 0.00 N ATOM 544 CA THR A 34 -3.977 -7.359 8.215 1.00 0.00 C ATOM 545 C THR A 34 -4.867 -7.547 6.977 1.00 0.00 C ATOM 546 O THR A 34 -5.719 -8.428 6.963 1.00 0.00 O ATOM 547 CB THR A 34 -4.374 -6.049 8.921 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.358 -5.480 9.728 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.597 -6.284 9.815 1.00 0.00 C ATOM 0 H THR A 34 -2.116 -6.510 7.736 1.00 0.00 H new ATOM 0 HA THR A 34 -4.155 -8.209 8.873 1.00 0.00 H new ATOM 0 HB THR A 34 -4.580 -5.348 8.112 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.623 -5.171 9.159 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.870 -5.352 10.310 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.432 -6.630 9.206 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.359 -7.038 10.566 1.00 0.00 H new ATOM 557 N GLU A 35 -4.709 -6.694 5.957 1.00 0.00 N ATOM 558 CA GLU A 35 -5.598 -6.654 4.798 1.00 0.00 C ATOM 559 C GLU A 35 -5.051 -7.333 3.549 1.00 0.00 C ATOM 560 O GLU A 35 -5.826 -7.880 2.772 1.00 0.00 O ATOM 561 CB GLU A 35 -5.914 -5.195 4.439 1.00 0.00 C ATOM 562 CG GLU A 35 -6.296 -4.320 5.639 1.00 0.00 C ATOM 563 CD GLU A 35 -7.523 -4.833 6.386 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.527 -5.123 5.700 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.437 -4.910 7.630 1.00 0.00 O ATOM 0 H GLU A 35 -3.954 -6.009 5.916 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.485 -7.210 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.045 -4.758 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.731 -5.179 3.718 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.453 -4.270 6.328 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.486 -3.304 5.294 1.00 0.00 H new ATOM 572 N PHE A 36 -3.736 -7.275 3.328 1.00 0.00 N ATOM 573 CA PHE A 36 -3.104 -7.827 2.128 1.00 0.00 C ATOM 574 C PHE A 36 -2.209 -9.051 2.435 1.00 0.00 C ATOM 575 O PHE A 36 -1.030 -9.040 2.084 1.00 0.00 O ATOM 576 CB PHE A 36 -2.308 -6.690 1.452 1.00 0.00 C ATOM 577 CG PHE A 36 -2.976 -5.803 0.422 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.322 -5.402 0.516 1.00 0.00 C ATOM 579 CD2 PHE A 36 -2.163 -5.273 -0.595 1.00 0.00 C ATOM 580 CE1 PHE A 36 -4.846 -4.489 -0.418 1.00 0.00 C ATOM 581 CE2 PHE A 36 -2.711 -4.452 -1.585 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.040 -4.011 -1.467 1.00 0.00 C ATOM 0 H PHE A 36 -3.078 -6.843 3.977 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.874 -8.202 1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.934 -6.041 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.439 -7.143 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.950 -5.794 1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.108 -5.502 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.869 -4.155 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.116 -4.158 -2.437 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.442 -3.307 -2.180 1.00 0.00 H new ATOM 592 N PRO A 37 -2.709 -10.129 3.065 1.00 0.00 N ATOM 593 CA PRO A 37 -1.872 -11.283 3.351 1.00 0.00 C ATOM 594 C PRO A 37 -1.545 -12.035 2.059 1.00 0.00 C ATOM 595 O PRO A 37 -0.386 -12.322 1.775 1.00 0.00 O ATOM 596 CB PRO A 37 -2.672 -12.130 4.344 1.00 0.00 C ATOM 597 CG PRO A 37 -4.130 -11.791 4.033 1.00 0.00 C ATOM 598 CD PRO A 37 -4.060 -10.335 3.565 1.00 0.00 C ATOM 0 HA PRO A 37 -0.908 -11.009 3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.473 -13.193 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.416 -11.884 5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.539 -12.443 3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.765 -11.901 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.796 -10.142 2.785 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.279 -9.652 4.386 1.00 0.00 H new ATOM 606 N SER A 38 -2.567 -12.349 1.261 1.00 0.00 N ATOM 607 CA SER A 38 -2.441 -13.081 0.010 1.00 0.00 C ATOM 608 C SER A 38 -1.366 -12.489 -0.902 1.00 0.00 C ATOM 609 O SER A 38 -0.568 -13.224 -1.475 1.00 0.00 O ATOM 610 CB SER A 38 -3.817 -13.146 -0.657 1.00 0.00 C ATOM 611 OG SER A 38 -4.365 -11.844 -0.728 1.00 0.00 O ATOM 0 H SER A 38 -3.530 -12.092 1.478 1.00 0.00 H new ATOM 0 HA SER A 38 -2.103 -14.096 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.729 -13.571 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.478 -13.801 -0.089 1.00 0.00 H new ATOM 0 HG SER A 38 -5.246 -11.883 -1.156 1.00 0.00 H new ATOM 617 N LEU A 39 -1.328 -11.162 -1.035 1.00 0.00 N ATOM 618 CA LEU A 39 -0.385 -10.425 -1.838 1.00 0.00 C ATOM 619 C LEU A 39 1.066 -10.797 -1.507 1.00 0.00 C ATOM 620 O LEU A 39 1.926 -10.716 -2.380 1.00 0.00 O ATOM 621 CB LEU A 39 -0.710 -8.955 -1.581 1.00 0.00 C ATOM 622 CG LEU A 39 -1.935 -8.454 -2.365 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.561 -8.171 -3.824 1.00 0.00 C ATOM 624 CD2 LEU A 39 -3.202 -9.312 -2.306 1.00 0.00 C ATOM 0 H LEU A 39 -1.992 -10.554 -0.557 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.474 -10.660 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.886 -8.811 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.155 -8.347 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.212 -7.541 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.440 -7.818 -4.363 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.783 -7.408 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.194 -9.086 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.986 -8.844 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.988 -10.304 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.534 -9.399 -1.272 1.00 0.00 H new ATOM 636 N LEU A 40 1.359 -11.240 -0.280 1.00 0.00 N ATOM 637 CA LEU A 40 2.713 -11.656 0.079 1.00 0.00 C ATOM 638 C LEU A 40 3.143 -12.846 -0.783 1.00 0.00 C ATOM 639 O LEU A 40 4.321 -12.994 -1.101 1.00 0.00 O ATOM 640 CB LEU A 40 2.783 -12.055 1.556 1.00 0.00 C ATOM 641 CG LEU A 40 2.523 -10.876 2.501 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.303 -11.413 3.921 1.00 0.00 C ATOM 643 CD2 LEU A 40 3.715 -9.911 2.513 1.00 0.00 C ATOM 0 H LEU A 40 0.679 -11.318 0.476 1.00 0.00 H new ATOM 0 HA LEU A 40 3.384 -10.814 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.052 -12.840 1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.766 -12.475 1.768 1.00 0.00 H new ATOM 0 HG LEU A 40 1.641 -10.338 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.117 -10.581 4.600 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.445 -12.085 3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.191 -11.956 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.506 -9.083 3.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.607 -10.439 2.849 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.880 -9.524 1.507 1.00 0.00 H new ATOM 655 N LYS A 41 2.188 -13.688 -1.191 1.00 0.00 N ATOM 656 CA LYS A 41 2.461 -14.836 -2.041 1.00 0.00 C ATOM 657 C LYS A 41 2.810 -14.388 -3.468 1.00 0.00 C ATOM 658 O LYS A 41 3.153 -15.224 -4.296 1.00 0.00 O ATOM 659 CB LYS A 41 1.272 -15.810 -2.028 1.00 0.00 C ATOM 660 CG LYS A 41 0.784 -16.185 -0.619 1.00 0.00 C ATOM 661 CD LYS A 41 1.896 -16.795 0.244 1.00 0.00 C ATOM 662 CE LYS A 41 1.334 -17.256 1.593 1.00 0.00 C ATOM 663 NZ LYS A 41 2.394 -17.815 2.450 1.00 0.00 N ATOM 0 H LYS A 41 1.205 -13.587 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 41 3.328 -15.364 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.445 -15.364 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.556 -16.720 -2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.391 -15.296 -0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.039 -16.895 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.347 -17.640 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.685 -16.060 0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.860 -16.415 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.561 -18.007 1.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.984 -18.119 3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.829 -18.632 1.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.119 -17.090 2.624 1.00 0.00 H new ATOM 677 N GLY A 42 2.736 -13.081 -3.757 1.00 0.00 N ATOM 678 CA GLY A 42 3.075 -12.492 -5.040 1.00 0.00 C ATOM 679 C GLY A 42 4.443 -12.970 -5.530 1.00 0.00 C ATOM 680 O GLY A 42 4.618 -13.241 -6.714 1.00 0.00 O ATOM 0 H GLY A 42 2.427 -12.390 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.313 -12.752 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.077 -11.405 -4.954 1.00 0.00 H new ATOM 684 N GLY A 43 5.409 -13.072 -4.611 1.00 0.00 N ATOM 685 CA GLY A 43 6.758 -13.537 -4.899 1.00 0.00 C ATOM 686 C GLY A 43 7.694 -12.340 -4.948 1.00 0.00 C ATOM 687 O GLY A 43 8.309 -12.051 -5.971 1.00 0.00 O ATOM 0 H GLY A 43 5.267 -12.828 -3.631 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.086 -14.240 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.778 -14.070 -5.850 1.00 0.00 H new ATOM 691 N SER A 44 7.788 -11.625 -3.829 1.00 0.00 N ATOM 692 CA SER A 44 8.601 -10.437 -3.667 1.00 0.00 C ATOM 693 C SER A 44 8.674 -10.147 -2.174 1.00 0.00 C ATOM 694 O SER A 44 7.668 -10.284 -1.482 1.00 0.00 O ATOM 695 CB SER A 44 7.911 -9.276 -4.389 1.00 0.00 C ATOM 696 OG SER A 44 8.215 -9.305 -5.769 1.00 0.00 O ATOM 0 H SER A 44 7.277 -11.873 -2.981 1.00 0.00 H new ATOM 0 HA SER A 44 9.601 -10.570 -4.079 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.832 -9.340 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.234 -8.328 -3.959 1.00 0.00 H new ATOM 0 HG SER A 44 8.299 -10.235 -6.066 1.00 0.00 H new ATOM 702 N THR A 45 9.843 -9.752 -1.674 1.00 0.00 N ATOM 703 CA THR A 45 9.994 -9.410 -0.271 1.00 0.00 C ATOM 704 C THR A 45 9.303 -8.070 -0.021 1.00 0.00 C ATOM 705 O THR A 45 9.004 -7.329 -0.960 1.00 0.00 O ATOM 706 CB THR A 45 11.482 -9.303 0.093 1.00 0.00 C ATOM 707 OG1 THR A 45 12.107 -8.339 -0.729 1.00 0.00 O ATOM 708 CG2 THR A 45 12.198 -10.650 -0.045 1.00 0.00 C ATOM 0 H THR A 45 10.697 -9.662 -2.224 1.00 0.00 H new ATOM 0 HA THR A 45 9.543 -10.187 0.347 1.00 0.00 H new ATOM 0 HB THR A 45 11.550 -8.997 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.286 -8.728 -1.611 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.248 -10.533 0.221 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.734 -11.378 0.620 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.122 -10.999 -1.075 1.00 0.00 H new ATOM 716 N LEU A 46 9.072 -7.745 1.252 1.00 0.00 N ATOM 717 CA LEU A 46 8.479 -6.473 1.642 1.00 0.00 C ATOM 718 C LEU A 46 9.284 -5.329 1.039 1.00 0.00 C ATOM 719 O LEU A 46 8.718 -4.339 0.606 1.00 0.00 O ATOM 720 CB LEU A 46 8.462 -6.348 3.170 1.00 0.00 C ATOM 721 CG LEU A 46 7.783 -5.047 3.650 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.990 -5.324 4.928 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.794 -3.933 3.955 1.00 0.00 C ATOM 0 H LEU A 46 9.292 -8.358 2.037 1.00 0.00 H new ATOM 0 HA LEU A 46 7.454 -6.428 1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.940 -7.205 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.485 -6.380 3.545 1.00 0.00 H new ATOM 0 HG LEU A 46 7.134 -4.713 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.511 -4.405 5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.228 -6.077 4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.665 -5.688 5.703 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.263 -3.041 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.475 -4.264 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.363 -3.701 3.054 1.00 0.00 H new ATOM 735 N ASP A 47 10.607 -5.482 1.020 1.00 0.00 N ATOM 736 CA ASP A 47 11.566 -4.521 0.524 1.00 0.00 C ATOM 737 C ASP A 47 11.317 -4.318 -0.958 1.00 0.00 C ATOM 738 O ASP A 47 11.023 -3.208 -1.371 1.00 0.00 O ATOM 739 CB ASP A 47 12.993 -5.010 0.808 1.00 0.00 C ATOM 740 CG ASP A 47 13.197 -5.290 2.292 1.00 0.00 C ATOM 741 OD1 ASP A 47 12.807 -6.403 2.710 1.00 0.00 O ATOM 742 OD2 ASP A 47 13.699 -4.380 2.986 1.00 0.00 O ATOM 0 H ASP A 47 11.054 -6.329 1.371 1.00 0.00 H new ATOM 0 HA ASP A 47 11.451 -3.563 1.031 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.190 -5.916 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.710 -4.259 0.475 1.00 0.00 H new ATOM 747 N GLU A 48 11.410 -5.382 -1.758 1.00 0.00 N ATOM 748 CA GLU A 48 11.183 -5.299 -3.196 1.00 0.00 C ATOM 749 C GLU A 48 9.813 -4.682 -3.489 1.00 0.00 C ATOM 750 O GLU A 48 9.689 -3.776 -4.309 1.00 0.00 O ATOM 751 CB GLU A 48 11.285 -6.699 -3.806 1.00 0.00 C ATOM 752 CG GLU A 48 12.717 -7.236 -3.708 1.00 0.00 C ATOM 753 CD GLU A 48 12.758 -8.721 -4.045 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.185 -9.483 -3.234 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.347 -9.064 -5.091 1.00 0.00 O ATOM 0 H GLU A 48 11.643 -6.318 -1.427 1.00 0.00 H new ATOM 0 HA GLU A 48 11.942 -4.657 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.603 -7.375 -3.290 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.975 -6.668 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.365 -6.685 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.103 -7.075 -2.701 1.00 0.00 H new ATOM 762 N LEU A 49 8.781 -5.176 -2.807 1.00 0.00 N ATOM 763 CA LEU A 49 7.417 -4.709 -2.968 1.00 0.00 C ATOM 764 C LEU A 49 7.318 -3.212 -2.665 1.00 0.00 C ATOM 765 O LEU A 49 6.915 -2.423 -3.516 1.00 0.00 O ATOM 766 CB LEU A 49 6.511 -5.578 -2.088 1.00 0.00 C ATOM 767 CG LEU A 49 5.079 -5.052 -1.972 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.397 -4.894 -3.335 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.257 -6.014 -1.111 1.00 0.00 C ATOM 0 H LEU A 49 8.877 -5.923 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 49 7.084 -4.813 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.486 -6.589 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.945 -5.647 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 49 5.131 -4.064 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.384 -4.518 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.963 -4.191 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.358 -5.861 -3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.236 -5.643 -1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.247 -7.000 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.702 -6.085 -0.118 1.00 0.00 H new ATOM 781 N PHE A 50 7.698 -2.808 -1.454 1.00 0.00 N ATOM 782 CA PHE A 50 7.702 -1.434 -1.015 1.00 0.00 C ATOM 783 C PHE A 50 8.568 -0.613 -1.963 1.00 0.00 C ATOM 784 O PHE A 50 8.245 0.535 -2.216 1.00 0.00 O ATOM 785 CB PHE A 50 8.240 -1.388 0.416 1.00 0.00 C ATOM 786 CG PHE A 50 8.652 -0.009 0.848 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.699 0.913 1.305 1.00 0.00 C ATOM 788 CD2 PHE A 50 9.970 0.398 0.597 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.104 2.217 1.634 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.369 1.712 0.893 1.00 0.00 C ATOM 791 CZ PHE A 50 9.443 2.609 1.453 1.00 0.00 C ATOM 0 H PHE A 50 8.020 -3.457 -0.736 1.00 0.00 H new ATOM 0 HA PHE A 50 6.697 -1.013 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.476 -1.762 1.097 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.096 -2.058 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.663 0.623 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.679 -0.299 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.385 2.921 2.027 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.381 2.031 0.692 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.760 3.600 1.744 1.00 0.00 H new ATOM 801 N GLU A 51 9.657 -1.168 -2.496 1.00 0.00 N ATOM 802 CA GLU A 51 10.494 -0.424 -3.434 1.00 0.00 C ATOM 803 C GLU A 51 9.752 -0.191 -4.749 1.00 0.00 C ATOM 804 O GLU A 51 9.802 0.914 -5.280 1.00 0.00 O ATOM 805 CB GLU A 51 11.843 -1.119 -3.651 1.00 0.00 C ATOM 806 CG GLU A 51 12.783 -0.909 -2.457 1.00 0.00 C ATOM 807 CD GLU A 51 13.984 -1.847 -2.527 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.787 -1.668 -3.469 1.00 0.00 O ATOM 809 OE2 GLU A 51 14.078 -2.727 -1.645 1.00 0.00 O ATOM 0 H GLU A 51 9.976 -2.116 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 51 10.709 0.552 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.683 -2.186 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.311 -0.732 -4.556 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.127 0.125 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.239 -1.080 -1.528 1.00 0.00 H new ATOM 816 N GLU A 52 9.052 -1.202 -5.276 1.00 0.00 N ATOM 817 CA GLU A 52 8.268 -1.038 -6.498 1.00 0.00 C ATOM 818 C GLU A 52 7.260 0.078 -6.241 1.00 0.00 C ATOM 819 O GLU A 52 7.084 0.996 -7.035 1.00 0.00 O ATOM 820 CB GLU A 52 7.540 -2.352 -6.836 1.00 0.00 C ATOM 821 CG GLU A 52 6.421 -2.151 -7.872 1.00 0.00 C ATOM 822 CD GLU A 52 5.694 -3.455 -8.177 1.00 0.00 C ATOM 823 OE1 GLU A 52 6.261 -4.257 -8.949 1.00 0.00 O ATOM 824 OE2 GLU A 52 4.577 -3.623 -7.638 1.00 0.00 O ATOM 0 H GLU A 52 9.014 -2.139 -4.874 1.00 0.00 H new ATOM 0 HA GLU A 52 8.910 -0.786 -7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.260 -3.075 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.117 -2.775 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.708 -1.415 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.845 -1.747 -8.791 1.00 0.00 H new ATOM 831 N LEU A 53 6.588 -0.044 -5.104 1.00 0.00 N ATOM 832 CA LEU A 53 5.576 0.870 -4.635 1.00 0.00 C ATOM 833 C LEU A 53 6.115 2.292 -4.431 1.00 0.00 C ATOM 834 O LEU A 53 5.471 3.254 -4.835 1.00 0.00 O ATOM 835 CB LEU A 53 5.048 0.310 -3.310 1.00 0.00 C ATOM 836 CG LEU A 53 3.930 -0.721 -3.479 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.779 -1.488 -2.167 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.607 -0.030 -3.812 1.00 0.00 C ATOM 0 H LEU A 53 6.747 -0.820 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 53 4.788 0.951 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.873 -0.148 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.681 1.134 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 53 4.183 -1.398 -4.295 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.986 -2.229 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.717 -1.991 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.527 -0.793 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.824 -0.780 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.339 0.652 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.713 0.531 -4.741 1.00 0.00 H new ATOM 850 N ASP A 54 7.274 2.453 -3.789 1.00 0.00 N ATOM 851 CA ASP A 54 7.826 3.755 -3.451 1.00 0.00 C ATOM 852 C ASP A 54 8.479 4.401 -4.670 1.00 0.00 C ATOM 853 O ASP A 54 9.694 4.574 -4.717 1.00 0.00 O ATOM 854 CB ASP A 54 8.782 3.649 -2.244 1.00 0.00 C ATOM 855 CG ASP A 54 9.226 5.024 -1.734 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.755 6.028 -2.307 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.053 5.064 -0.795 1.00 0.00 O ATOM 0 H ASP A 54 7.857 1.672 -3.489 1.00 0.00 H new ATOM 0 HA ASP A 54 7.013 4.414 -3.148 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.288 3.107 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.660 3.068 -2.528 1.00 0.00 H new ATOM 862 N LYS A 55 7.657 4.792 -5.645 1.00 0.00 N ATOM 863 CA LYS A 55 8.106 5.475 -6.852 1.00 0.00 C ATOM 864 C LYS A 55 8.806 6.790 -6.485 1.00 0.00 C ATOM 865 O LYS A 55 9.674 7.255 -7.215 1.00 0.00 O ATOM 866 CB LYS A 55 6.918 5.728 -7.789 1.00 0.00 C ATOM 867 CG LYS A 55 6.210 4.443 -8.248 1.00 0.00 C ATOM 868 CD LYS A 55 7.124 3.437 -8.963 1.00 0.00 C ATOM 869 CE LYS A 55 7.806 4.028 -10.202 1.00 0.00 C ATOM 870 NZ LYS A 55 8.573 3.001 -10.927 1.00 0.00 N ATOM 0 H LYS A 55 6.649 4.640 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 55 8.823 4.841 -7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.197 6.369 -7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.268 6.273 -8.666 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.765 3.958 -7.379 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.392 4.712 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.886 3.087 -8.267 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.538 2.566 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.055 4.459 -10.863 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.470 4.839 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.024 3.429 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.305 2.608 -10.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.933 2.240 -11.232 1.00 0.00 H new ATOM 884 N ASN A 56 8.437 7.382 -5.345 1.00 0.00 N ATOM 885 CA ASN A 56 9.044 8.611 -4.855 1.00 0.00 C ATOM 886 C ASN A 56 10.477 8.324 -4.394 1.00 0.00 C ATOM 887 O ASN A 56 11.348 9.162 -4.604 1.00 0.00 O ATOM 888 CB ASN A 56 8.170 9.176 -3.721 1.00 0.00 C ATOM 889 CG ASN A 56 8.683 10.431 -3.011 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.111 10.865 -2.022 1.00 0.00 O ATOM 891 ND2 ASN A 56 9.752 11.056 -3.469 1.00 0.00 N ATOM 0 H ASN A 56 7.704 7.016 -4.737 1.00 0.00 H new ATOM 0 HA ASN A 56 9.100 9.360 -5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.184 9.397 -4.130 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.037 8.394 -2.974 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.094 11.894 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.236 10.701 -4.294 1.00 0.00 H new ATOM 898 N GLY A 57 10.719 7.163 -3.782 1.00 0.00 N ATOM 899 CA GLY A 57 12.022 6.760 -3.280 1.00 0.00 C ATOM 900 C GLY A 57 12.456 7.727 -2.184 1.00 0.00 C ATOM 901 O GLY A 57 13.400 8.487 -2.374 1.00 0.00 O ATOM 0 H GLY A 57 9.993 6.465 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.976 5.744 -2.888 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.752 6.757 -4.089 1.00 0.00 H new ATOM 905 N ASP A 58 11.763 7.706 -1.039 1.00 0.00 N ATOM 906 CA ASP A 58 12.046 8.634 0.058 1.00 0.00 C ATOM 907 C ASP A 58 12.014 7.950 1.421 1.00 0.00 C ATOM 908 O ASP A 58 12.886 8.178 2.253 1.00 0.00 O ATOM 909 CB ASP A 58 11.078 9.832 0.008 1.00 0.00 C ATOM 910 CG ASP A 58 9.659 9.517 0.486 1.00 0.00 C ATOM 911 OD1 ASP A 58 9.155 8.429 0.127 1.00 0.00 O ATOM 912 OD2 ASP A 58 9.113 10.352 1.238 1.00 0.00 O ATOM 0 H ASP A 58 11.001 7.055 -0.850 1.00 0.00 H new ATOM 0 HA ASP A 58 13.063 9.002 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.484 10.638 0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.030 10.202 -1.016 1.00 0.00 H new ATOM 917 N GLY A 59 11.000 7.122 1.653 1.00 0.00 N ATOM 918 CA GLY A 59 10.805 6.439 2.916 1.00 0.00 C ATOM 919 C GLY A 59 9.381 5.909 3.031 1.00 0.00 C ATOM 920 O GLY A 59 9.148 4.981 3.808 1.00 0.00 O ATOM 0 H GLY A 59 10.285 6.908 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.513 5.614 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.011 7.123 3.740 1.00 0.00 H new ATOM 924 N GLU A 60 8.420 6.467 2.278 1.00 0.00 N ATOM 925 CA GLU A 60 7.060 5.990 2.310 1.00 0.00 C ATOM 926 C GLU A 60 6.494 5.913 0.893 1.00 0.00 C ATOM 927 O GLU A 60 7.062 6.437 -0.056 1.00 0.00 O ATOM 928 CB GLU A 60 6.205 6.938 3.155 1.00 0.00 C ATOM 929 CG GLU A 60 6.816 7.428 4.478 1.00 0.00 C ATOM 930 CD GLU A 60 7.699 8.658 4.287 1.00 0.00 C ATOM 931 OE1 GLU A 60 7.151 9.676 3.809 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.898 8.560 4.624 1.00 0.00 O ATOM 0 H GLU A 60 8.577 7.250 1.643 1.00 0.00 H new ATOM 0 HA GLU A 60 7.044 4.993 2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.964 7.811 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.264 6.437 3.380 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.016 7.663 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.405 6.626 4.923 1.00 0.00 H new ATOM 939 N VAL A 61 5.343 5.269 0.790 1.00 0.00 N ATOM 940 CA VAL A 61 4.518 5.082 -0.388 1.00 0.00 C ATOM 941 C VAL A 61 3.371 6.076 -0.185 1.00 0.00 C ATOM 942 O VAL A 61 3.293 6.705 0.863 1.00 0.00 O ATOM 943 CB VAL A 61 4.040 3.612 -0.402 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.066 3.271 -1.534 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.247 2.677 -0.510 1.00 0.00 C ATOM 0 H VAL A 61 4.925 4.823 1.607 1.00 0.00 H new ATOM 0 HA VAL A 61 5.017 5.258 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 61 3.500 3.475 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.783 2.220 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.175 3.893 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.546 3.457 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.906 1.642 -0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.790 2.889 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.906 2.834 0.344 1.00 0.00 H new ATOM 955 N SER A 62 2.454 6.230 -1.131 1.00 0.00 N ATOM 956 CA SER A 62 1.287 7.091 -1.004 1.00 0.00 C ATOM 957 C SER A 62 0.209 6.475 -1.880 1.00 0.00 C ATOM 958 O SER A 62 0.526 5.627 -2.715 1.00 0.00 O ATOM 959 CB SER A 62 1.579 8.539 -1.405 1.00 0.00 C ATOM 960 OG SER A 62 1.893 8.616 -2.773 1.00 0.00 O ATOM 0 H SER A 62 2.503 5.748 -2.029 1.00 0.00 H new ATOM 0 HA SER A 62 0.969 7.148 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.713 9.164 -1.189 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.408 8.927 -0.813 1.00 0.00 H new ATOM 0 HG SER A 62 2.076 9.548 -3.015 1.00 0.00 H new ATOM 966 N PHE A 63 -1.049 6.879 -1.704 1.00 0.00 N ATOM 967 CA PHE A 63 -2.144 6.351 -2.505 1.00 0.00 C ATOM 968 C PHE A 63 -1.794 6.452 -3.990 1.00 0.00 C ATOM 969 O PHE A 63 -1.974 5.492 -4.734 1.00 0.00 O ATOM 970 CB PHE A 63 -3.455 7.026 -2.123 1.00 0.00 C ATOM 971 CG PHE A 63 -4.643 6.575 -2.944 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.336 5.411 -2.569 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.970 7.226 -4.148 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.432 4.967 -3.331 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.020 6.739 -4.946 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.799 5.656 -4.499 1.00 0.00 C ATOM 0 H PHE A 63 -1.332 7.572 -1.011 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.290 5.291 -2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.659 6.830 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.341 8.105 -2.230 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.027 4.857 -1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.415 8.099 -4.459 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.991 4.097 -3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.229 7.196 -5.902 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.676 5.355 -5.052 1.00 0.00 H new ATOM 986 N GLU A 64 -1.259 7.613 -4.379 1.00 0.00 N ATOM 987 CA GLU A 64 -0.806 7.955 -5.717 1.00 0.00 C ATOM 988 C GLU A 64 -0.084 6.781 -6.388 1.00 0.00 C ATOM 989 O GLU A 64 -0.517 6.244 -7.404 1.00 0.00 O ATOM 990 CB GLU A 64 0.159 9.155 -5.601 1.00 0.00 C ATOM 991 CG GLU A 64 0.367 9.830 -6.962 1.00 0.00 C ATOM 992 CD GLU A 64 1.376 10.969 -6.860 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.582 10.649 -6.797 1.00 0.00 O ATOM 994 OE2 GLU A 64 0.921 12.133 -6.832 1.00 0.00 O ATOM 0 H GLU A 64 -1.125 8.382 -3.722 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.671 8.202 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.240 9.879 -4.890 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.118 8.818 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.716 9.095 -7.687 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.584 10.214 -7.330 1.00 0.00 H new ATOM 1001 N GLU A 65 1.041 6.405 -5.789 1.00 0.00 N ATOM 1002 CA GLU A 65 1.945 5.367 -6.260 1.00 0.00 C ATOM 1003 C GLU A 65 1.301 4.010 -6.024 1.00 0.00 C ATOM 1004 O GLU A 65 1.417 3.109 -6.848 1.00 0.00 O ATOM 1005 CB GLU A 65 3.327 5.460 -5.577 1.00 0.00 C ATOM 1006 CG GLU A 65 3.420 6.607 -4.569 1.00 0.00 C ATOM 1007 CD GLU A 65 4.778 6.860 -3.926 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.806 6.500 -4.535 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.743 7.453 -2.827 1.00 0.00 O ATOM 0 H GLU A 65 1.360 6.837 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 65 2.119 5.505 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.539 4.519 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.095 5.591 -6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.107 7.523 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.700 6.417 -3.773 1.00 0.00 H new ATOM 1016 N PHE A 66 0.604 3.865 -4.897 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.086 2.624 -4.563 1.00 0.00 C ATOM 1018 C PHE A 66 -1.037 2.209 -5.691 1.00 0.00 C ATOM 1019 O PHE A 66 -1.225 1.013 -5.909 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.742 2.768 -3.186 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.790 1.740 -2.821 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.456 0.377 -2.769 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.099 2.152 -2.511 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.457 -0.582 -2.537 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.077 1.200 -2.178 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.762 -0.169 -2.213 1.00 0.00 C ATOM 0 H PHE A 66 0.503 4.599 -4.196 1.00 0.00 H new ATOM 0 HA PHE A 66 0.620 1.797 -4.482 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.043 2.737 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.200 3.756 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.431 0.066 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.352 3.202 -2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.225 -1.634 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.069 1.520 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.522 -0.904 -1.991 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.607 3.154 -6.450 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.447 2.782 -7.586 1.00 0.00 C ATOM 1038 C GLN A 67 -1.716 1.874 -8.582 1.00 0.00 C ATOM 1039 O GLN A 67 -2.355 1.074 -9.259 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.162 3.972 -8.246 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.911 4.864 -7.254 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.723 4.024 -6.277 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.810 3.555 -6.585 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.202 3.809 -5.083 1.00 0.00 N ATOM 0 H GLN A 67 -1.503 4.158 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.255 2.180 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.428 4.575 -8.781 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.867 3.596 -8.987 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.200 5.482 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.572 5.542 -7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.294 4.208 -4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.707 3.244 -4.400 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.384 1.952 -8.657 1.00 0.00 N ATOM 1054 CA VAL A 68 0.401 1.069 -9.512 1.00 0.00 C ATOM 1055 C VAL A 68 0.231 -0.376 -9.022 1.00 0.00 C ATOM 1056 O VAL A 68 0.226 -1.306 -9.823 1.00 0.00 O ATOM 1057 CB VAL A 68 1.877 1.511 -9.549 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.716 0.590 -10.446 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.004 2.947 -10.078 1.00 0.00 C ATOM 0 H VAL A 68 0.173 2.625 -8.130 1.00 0.00 H new ATOM 0 HA VAL A 68 0.041 1.126 -10.539 1.00 0.00 H new ATOM 0 HB VAL A 68 2.248 1.456 -8.526 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.752 0.930 -10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.670 -0.430 -10.064 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.323 0.615 -11.462 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.055 3.237 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.596 3.000 -11.088 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.451 3.625 -9.427 1.00 0.00 H new ATOM 1069 N LEU A 69 0.071 -0.581 -7.712 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.160 -1.903 -7.147 1.00 0.00 C ATOM 1071 C LEU A 69 -1.636 -2.240 -7.378 1.00 0.00 C ATOM 1072 O LEU A 69 -1.949 -3.341 -7.822 1.00 0.00 O ATOM 1073 CB LEU A 69 0.253 -1.898 -5.669 1.00 0.00 C ATOM 1074 CG LEU A 69 0.459 -3.253 -4.965 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -0.791 -4.137 -4.980 1.00 0.00 C ATOM 1076 CD2 LEU A 69 1.646 -4.029 -5.543 1.00 0.00 C ATOM 0 H LEU A 69 0.099 0.166 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 69 0.441 -2.678 -7.623 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.182 -1.335 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.505 -1.346 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 69 0.674 -3.001 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.579 -5.076 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.606 -3.623 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.079 -4.343 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.752 -4.977 -5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.475 -4.220 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.557 -3.443 -5.423 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.552 -1.298 -7.111 1.00 0.00 N ATOM 1089 CA VAL A 70 -3.983 -1.524 -7.338 1.00 0.00 C ATOM 1090 C VAL A 70 -4.216 -2.042 -8.766 1.00 0.00 C ATOM 1091 O VAL A 70 -4.916 -3.026 -8.973 1.00 0.00 O ATOM 1092 CB VAL A 70 -4.829 -0.272 -7.045 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.315 -0.554 -7.303 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -4.661 0.179 -5.588 1.00 0.00 C ATOM 0 H VAL A 70 -2.326 -0.376 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.315 -2.286 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.481 0.519 -7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.898 0.342 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.455 -0.840 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.649 -1.365 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.270 1.065 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.980 -0.621 -4.920 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.614 0.414 -5.398 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.607 -1.403 -9.763 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.690 -1.813 -11.161 1.00 0.00 C ATOM 1106 C LYS A 71 -3.425 -3.320 -11.333 1.00 0.00 C ATOM 1107 O LYS A 71 -3.931 -3.947 -12.267 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.677 -0.968 -11.949 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.456 -1.387 -13.408 1.00 0.00 C ATOM 1110 CD LYS A 71 -3.736 -1.283 -14.249 1.00 0.00 C ATOM 1111 CE LYS A 71 -3.440 -1.468 -15.743 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.827 -2.777 -16.029 1.00 0.00 N ATOM 0 H LYS A 71 -3.033 -0.572 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.698 -1.645 -11.540 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.008 0.070 -11.934 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.719 -1.005 -11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.683 -0.759 -13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.089 -2.413 -13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.451 -2.038 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.202 -0.311 -14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.366 -1.370 -16.310 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.773 -0.675 -16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.832 -2.642 -16.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.875 -3.376 -15.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.340 -3.238 -16.807 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.621 -3.916 -10.449 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.227 -5.285 -10.484 1.00 0.00 C ATOM 1128 C LYS A 72 -3.082 -6.230 -9.628 1.00 0.00 C ATOM 1129 O LYS A 72 -3.002 -7.443 -9.822 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.752 -5.365 -10.148 1.00 0.00 C ATOM 1131 CG LYS A 72 0.082 -4.560 -11.158 1.00 0.00 C ATOM 1132 CD LYS A 72 1.541 -5.021 -11.188 1.00 0.00 C ATOM 1133 CE LYS A 72 2.289 -4.744 -9.878 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.418 -3.300 -9.615 1.00 0.00 N ATOM 0 H LYS A 72 -2.219 -3.412 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.403 -5.653 -11.495 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.582 -4.982 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.430 -6.406 -10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.352 -4.664 -12.152 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.041 -3.501 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.573 -6.090 -11.398 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.057 -4.519 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.761 -5.218 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.280 -5.195 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.001 -3.152 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.869 -2.838 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.475 -2.889 -9.462 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.899 -5.743 -8.686 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.651 -6.670 -7.831 1.00 0.00 C ATOM 1150 C ILE A 73 -5.585 -7.561 -8.654 1.00 0.00 C ATOM 1151 O ILE A 73 -5.793 -8.720 -8.312 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.402 -5.979 -6.684 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.295 -4.838 -7.164 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.421 -5.454 -5.628 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.584 -4.730 -6.365 1.00 0.00 C ATOM 0 H ILE A 73 -4.054 -4.752 -8.500 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.904 -7.306 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.047 -6.738 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.748 -3.898 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.536 -4.988 -8.217 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.976 -4.968 -4.825 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.846 -6.285 -5.220 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.743 -4.735 -6.087 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.181 -3.903 -6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.148 -5.658 -6.457 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.348 -4.552 -5.316 1.00 0.00 H new ATOM 1167 N SER A 74 -6.129 -7.034 -9.751 1.00 0.00 N ATOM 1168 CA SER A 74 -7.001 -7.777 -10.656 1.00 0.00 C ATOM 1169 C SER A 74 -6.212 -8.208 -11.897 1.00 0.00 C ATOM 1170 O SER A 74 -6.787 -8.339 -12.973 1.00 0.00 O ATOM 1171 CB SER A 74 -8.186 -6.884 -11.042 1.00 0.00 C ATOM 1172 OG SER A 74 -8.761 -6.315 -9.881 1.00 0.00 O ATOM 0 H SER A 74 -5.974 -6.068 -10.038 1.00 0.00 H new ATOM 0 HA SER A 74 -7.377 -8.675 -10.166 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.853 -6.095 -11.717 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.933 -7.469 -11.579 1.00 0.00 H new ATOM 0 HG SER A 74 -9.516 -5.745 -10.136 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.897 -8.400 -11.753 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.975 -8.729 -12.834 1.00 0.00 C ATOM 1180 C GLN A 75 -3.334 -10.094 -12.594 1.00 0.00 C ATOM 1181 O GLN A 75 -2.211 -10.342 -13.028 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.952 -7.587 -12.864 1.00 0.00 C ATOM 1183 CG GLN A 75 -2.380 -7.207 -14.231 1.00 0.00 C ATOM 1184 CD GLN A 75 -3.432 -6.541 -15.120 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -3.635 -6.938 -16.258 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -4.128 -5.516 -14.641 1.00 0.00 N ATOM 0 H GLN A 75 -4.433 -8.327 -10.847 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.474 -8.813 -13.799 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.419 -6.701 -12.434 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.122 -7.858 -12.212 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.536 -6.530 -14.097 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.998 -8.100 -14.726 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.959 -5.184 -13.691 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.831 -5.061 -15.223 1.00 0.00 H new TER 1195 GLN A 75