USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 548 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 49 GLN : amide:sc= 1.82 K(o=2.8,f=-1.6) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.957 K(o=2.8,f=-0.25!) USER MOD Set 2.1: A 39 HIS : no HE2:sc= -0.725 K(o=0.31,f=-4.7!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 1.04 K(o=0.31,f=-5.4!) USER MOD Set 3.1: A 21 THR OG1 : rot -120:sc= 0.77 USER MOD Set 3.2: A 33 THR OG1 : rot -29:sc= 0.99 USER MOD Set 4.1: A 15 HIS : no HE2:sc= -0.463 K(o=1.7,f=-7.9!) USER MOD Set 4.2: A 20 SER OG : rot 156:sc= 2.2 USER MOD Set 5.1: A 13 GLN : amide:sc= 0.455 K(o=3.5,f=-13!) USER MOD Set 5.2: A 14 LYS NZ :NH3+ -178:sc= 3.05 (180deg=2.11) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 139:sc= 1.19 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 16 ASN : amide:sc= 1.16 K(o=1.2,f=-0.25) USER MOD Single : A 26 HIS : no HD1:sc= -0.225 X(o=-0.22,f=-0.016) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 1.11 (180deg=0.709) USER MOD Single : A 30 TYR OH : rot 32:sc= 1.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 100:sc= 1.95 USER MOD Single : A 61 HIS : no HD1:sc= -0.0525 K(o=-0.053,f=-0.57) USER MOD Single : A 64 SER OG : rot 180:sc= 0.737 USER MOD Single : A 65 THR OG1 : rot 56:sc= 1.3 USER MOD Single : A 71 SER OG : rot -50:sc= 1.26 USER MOD Single : A 72 LYS NZ :NH3+ 140:sc= 0.596 (180deg=-2.25!) USER MOD Single : A 73 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 80 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -7.191 12.864 -0.725 1.00 10.00 N ATOM 52 CA TYR A 6 -8.201 11.888 -1.037 1.00 10.00 C ATOM 53 C TYR A 6 -8.182 11.388 -2.473 1.00 10.00 C ATOM 54 O TYR A 6 -7.741 12.035 -3.420 1.00 10.00 O ATOM 55 CB TYR A 6 -9.611 12.273 -0.575 1.00 10.00 C ATOM 56 CG TYR A 6 -9.881 12.316 0.916 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.015 12.896 1.854 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.897 11.487 1.378 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.075 12.476 3.200 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.793 10.873 2.627 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.929 11.426 3.579 1.00 10.00 C ATOM 62 OH TYR A 6 -9.800 10.839 4.803 1.00 10.00 O ATOM 0 HA TYR A 6 -7.908 11.032 -0.430 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.841 13.257 -0.985 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.313 11.569 -1.022 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -8.310 13.656 1.550 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.771 11.317 0.767 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -8.461 12.964 3.943 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -11.368 9.988 2.855 1.00 10.00 H new ATOM 0 HH TYR A 6 -10.472 10.132 4.899 1.00 10.00 H new ATOM 72 N TYR A 7 -8.624 10.141 -2.551 1.00 10.00 N ATOM 73 CA TYR A 7 -8.494 9.209 -3.617 1.00 10.00 C ATOM 74 C TYR A 7 -9.648 8.224 -3.465 1.00 10.00 C ATOM 75 O TYR A 7 -9.934 7.718 -2.379 1.00 10.00 O ATOM 76 CB TYR A 7 -7.157 8.526 -3.362 1.00 10.00 C ATOM 77 CG TYR A 7 -5.920 9.075 -4.055 1.00 10.00 C ATOM 78 CD1 TYR A 7 -5.959 10.136 -4.988 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.678 8.665 -3.551 1.00 10.00 C ATOM 80 CE1 TYR A 7 -4.794 10.865 -5.280 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.532 9.428 -3.800 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.603 10.572 -4.601 1.00 10.00 C ATOM 83 OH TYR A 7 -2.612 11.509 -4.532 1.00 10.00 O ATOM 0 H TYR A 7 -9.137 9.731 -1.771 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.523 9.641 -4.617 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.973 8.548 -2.288 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.260 7.479 -3.647 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -6.888 10.387 -5.478 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.605 7.758 -2.969 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -4.816 11.647 -6.024 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.586 9.131 -3.371 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.218 11.503 -3.635 1.00 10.00 H new ATOM 93 N THR A 8 -10.342 8.004 -4.568 1.00 10.00 N ATOM 94 CA THR A 8 -11.575 7.249 -4.626 1.00 10.00 C ATOM 95 C THR A 8 -11.251 5.763 -4.697 1.00 10.00 C ATOM 96 O THR A 8 -10.241 5.398 -5.296 1.00 10.00 O ATOM 97 CB THR A 8 -12.326 7.742 -5.865 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.416 7.881 -6.946 1.00 10.00 O ATOM 99 CG2 THR A 8 -12.884 9.139 -5.592 1.00 10.00 C ATOM 0 H THR A 8 -10.050 8.360 -5.478 1.00 10.00 H new ATOM 0 HA THR A 8 -12.197 7.392 -3.742 1.00 10.00 H new ATOM 0 HB THR A 8 -13.118 7.030 -6.099 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.897 8.195 -7.740 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.420 9.495 -6.472 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.566 9.099 -4.743 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.064 9.821 -5.366 1.00 10.00 H new ATOM 107 N LEU A 9 -12.102 4.902 -4.142 1.00 10.00 N ATOM 108 CA LEU A 9 -11.978 3.458 -4.289 1.00 10.00 C ATOM 109 C LEU A 9 -11.857 3.100 -5.767 1.00 10.00 C ATOM 110 O LEU A 9 -10.998 2.301 -6.134 1.00 10.00 O ATOM 111 CB LEU A 9 -13.117 2.759 -3.539 1.00 10.00 C ATOM 112 CG LEU A 9 -13.343 1.277 -3.886 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.931 0.561 -2.663 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.314 1.088 -5.061 1.00 10.00 C ATOM 0 H LEU A 9 -12.900 5.191 -3.576 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.062 3.091 -3.826 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.922 2.836 -2.469 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.041 3.302 -3.734 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.377 0.862 -4.173 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.094 -0.490 -2.900 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.237 0.640 -1.826 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.880 1.023 -2.392 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.437 0.024 -5.264 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.281 1.524 -4.808 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.914 1.582 -5.947 1.00 10.00 H new ATOM 126 N GLU A 10 -12.648 3.779 -6.609 1.00 10.00 N ATOM 127 CA GLU A 10 -12.531 3.751 -8.062 1.00 10.00 C ATOM 128 C GLU A 10 -11.064 3.737 -8.489 1.00 10.00 C ATOM 129 O GLU A 10 -10.632 2.849 -9.214 1.00 10.00 O ATOM 130 CB GLU A 10 -13.242 4.982 -8.643 1.00 10.00 C ATOM 131 CG GLU A 10 -13.285 5.005 -10.179 1.00 10.00 C ATOM 132 CD GLU A 10 -14.019 3.810 -10.771 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.256 3.908 -10.906 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.324 2.816 -11.078 1.00 10.00 O ATOM 0 H GLU A 10 -13.406 4.378 -6.283 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.998 2.842 -8.441 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.262 5.016 -8.260 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.738 5.882 -8.289 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -13.771 5.923 -10.510 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.266 5.026 -10.565 1.00 10.00 H new ATOM 141 N GLU A 11 -10.293 4.712 -8.011 1.00 10.00 N ATOM 142 CA GLU A 11 -8.863 4.771 -8.273 1.00 10.00 C ATOM 143 C GLU A 11 -8.142 3.647 -7.545 1.00 10.00 C ATOM 144 O GLU A 11 -7.362 2.917 -8.150 1.00 10.00 O ATOM 145 CB GLU A 11 -8.255 6.114 -7.814 1.00 10.00 C ATOM 146 CG GLU A 11 -8.319 7.274 -8.811 1.00 10.00 C ATOM 147 CD GLU A 11 -7.415 7.045 -10.033 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.596 6.037 -10.753 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.461 7.822 -10.254 1.00 10.00 O ATOM 0 H GLU A 11 -10.643 5.478 -7.435 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.733 4.669 -9.350 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.762 6.423 -6.900 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.210 5.944 -7.556 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.348 7.408 -9.144 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.023 8.196 -8.311 1.00 10.00 H new ATOM 156 N ILE A 12 -8.338 3.547 -6.231 1.00 10.00 N ATOM 157 CA ILE A 12 -7.519 2.695 -5.387 1.00 10.00 C ATOM 158 C ILE A 12 -7.480 1.269 -5.925 1.00 10.00 C ATOM 159 O ILE A 12 -6.388 0.731 -6.076 1.00 10.00 O ATOM 160 CB ILE A 12 -7.957 2.800 -3.915 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.662 4.213 -3.382 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.251 1.781 -3.015 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.611 4.628 -2.266 1.00 10.00 C ATOM 0 H ILE A 12 -9.067 4.054 -5.729 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.488 3.046 -5.415 1.00 10.00 H new ATOM 0 HB ILE A 12 -9.026 2.589 -3.890 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.636 4.252 -3.015 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.735 4.929 -4.201 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.598 1.900 -1.989 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.478 0.772 -3.360 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.174 1.944 -3.055 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.357 5.633 -1.928 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.636 4.618 -2.637 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.520 3.931 -1.433 1.00 10.00 H new ATOM 175 N GLN A 13 -8.631 0.696 -6.296 1.00 10.00 N ATOM 176 CA GLN A 13 -8.684 -0.649 -6.879 1.00 10.00 C ATOM 177 C GLN A 13 -7.675 -0.778 -8.020 1.00 10.00 C ATOM 178 O GLN A 13 -7.016 -1.795 -8.237 1.00 10.00 O ATOM 179 CB GLN A 13 -10.027 -0.854 -7.602 1.00 10.00 C ATOM 180 CG GLN A 13 -11.330 -0.978 -6.815 1.00 10.00 C ATOM 181 CD GLN A 13 -12.509 -1.053 -7.790 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.297 -0.726 -8.986 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.599 -1.449 -7.334 1.00 10.00 N ATOM 0 H GLN A 13 -9.542 1.146 -6.202 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.508 -1.348 -6.061 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.149 -0.020 -8.293 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.931 -1.756 -8.206 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.305 -1.869 -6.188 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.448 -0.123 -6.149 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.680 -1.694 -6.347 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.410 -1.529 -7.948 1.00 10.00 H new ATOM 190 N LYS A 14 -7.706 0.266 -8.834 1.00 10.00 N ATOM 191 CA LYS A 14 -7.222 0.363 -10.183 1.00 10.00 C ATOM 192 C LYS A 14 -5.710 0.556 -10.103 1.00 10.00 C ATOM 193 O LYS A 14 -4.948 -0.071 -10.839 1.00 10.00 O ATOM 194 CB LYS A 14 -8.002 1.547 -10.774 1.00 10.00 C ATOM 195 CG LYS A 14 -8.495 1.406 -12.210 1.00 10.00 C ATOM 196 CD LYS A 14 -9.599 0.332 -12.380 1.00 10.00 C ATOM 197 CE LYS A 14 -11.055 0.823 -12.216 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.527 0.968 -10.820 1.00 10.00 N ATOM 0 H LYS A 14 -8.113 1.149 -8.525 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.375 -0.508 -10.820 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -8.866 1.735 -10.137 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.367 2.431 -10.719 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.879 2.368 -12.550 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.651 1.154 -12.853 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.496 -0.112 -13.370 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.421 -0.462 -11.654 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.153 1.787 -12.716 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.715 0.127 -12.733 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.523 1.269 -10.820 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.441 0.056 -10.328 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.950 1.681 -10.331 1.00 10.00 H new ATOM 212 N HIS A 15 -5.265 1.344 -9.123 1.00 10.00 N ATOM 213 CA HIS A 15 -3.895 1.320 -8.652 1.00 10.00 C ATOM 214 C HIS A 15 -3.590 0.022 -7.899 1.00 10.00 C ATOM 215 O HIS A 15 -3.313 0.018 -6.702 1.00 10.00 O ATOM 216 CB HIS A 15 -3.619 2.513 -7.753 1.00 10.00 C ATOM 217 CG HIS A 15 -3.438 3.816 -8.464 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.229 4.377 -8.789 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.415 4.716 -8.775 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.467 5.590 -9.305 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.788 5.825 -9.355 1.00 10.00 N ATOM 0 H HIS A 15 -5.855 2.018 -8.636 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.245 1.373 -9.525 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.443 2.614 -7.047 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.722 2.308 -7.169 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.313 3.947 -8.661 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.475 4.595 -8.605 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.705 6.281 -9.634 1.00 10.00 H new ATOM 229 N ASN A 16 -3.549 -1.082 -8.631 1.00 10.00 N ATOM 230 CA ASN A 16 -2.899 -2.304 -8.169 1.00 10.00 C ATOM 231 C ASN A 16 -1.689 -2.675 -9.016 1.00 10.00 C ATOM 232 O ASN A 16 -0.864 -3.484 -8.596 1.00 10.00 O ATOM 233 CB ASN A 16 -3.907 -3.450 -8.038 1.00 10.00 C ATOM 234 CG ASN A 16 -4.351 -3.966 -9.401 1.00 10.00 C ATOM 235 OD1 ASN A 16 -3.661 -4.763 -10.030 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.496 -3.498 -9.886 1.00 10.00 N ATOM 0 H ASN A 16 -3.964 -1.158 -9.560 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.507 -2.108 -7.171 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.460 -4.265 -7.468 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.777 -3.108 -7.477 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.823 -3.800 -10.804 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -6.048 -2.836 -9.340 1.00 10.00 H new ATOM 290 N SER A 20 -0.097 2.366 -10.500 1.00 10.00 N ATOM 291 CA SER A 20 0.910 2.124 -9.492 1.00 10.00 C ATOM 292 C SER A 20 0.224 1.174 -8.502 1.00 10.00 C ATOM 293 O SER A 20 -0.904 0.745 -8.750 1.00 10.00 O ATOM 294 CB SER A 20 1.469 3.408 -8.868 1.00 10.00 C ATOM 295 OG SER A 20 0.444 4.214 -8.341 1.00 10.00 O ATOM 0 HA SER A 20 1.814 1.676 -9.904 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.175 3.152 -8.078 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.023 3.968 -9.621 1.00 10.00 H new ATOM 0 HG SER A 20 0.811 4.795 -7.642 1.00 10.00 H new ATOM 301 N THR A 21 0.911 0.791 -7.438 1.00 10.00 N ATOM 302 CA THR A 21 0.478 -0.193 -6.462 1.00 10.00 C ATOM 303 C THR A 21 0.083 0.526 -5.171 1.00 10.00 C ATOM 304 O THR A 21 0.948 0.842 -4.352 1.00 10.00 O ATOM 305 CB THR A 21 1.627 -1.190 -6.254 1.00 10.00 C ATOM 306 OG1 THR A 21 2.203 -1.524 -7.506 1.00 10.00 O ATOM 307 CG2 THR A 21 1.128 -2.453 -5.553 1.00 10.00 C ATOM 0 H THR A 21 1.830 1.177 -7.222 1.00 10.00 H new ATOM 0 HA THR A 21 -0.397 -0.746 -6.803 1.00 10.00 H new ATOM 0 HB THR A 21 2.383 -0.724 -5.622 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.123 -2.489 -7.656 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.959 -3.145 -5.416 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.711 -2.189 -4.581 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.358 -2.927 -6.161 1.00 10.00 H new ATOM 315 N TRP A 22 -1.217 0.792 -5.014 1.00 10.00 N ATOM 316 CA TRP A 22 -1.817 1.494 -3.888 1.00 10.00 C ATOM 317 C TRP A 22 -2.356 0.486 -2.891 1.00 10.00 C ATOM 318 O TRP A 22 -2.832 -0.568 -3.290 1.00 10.00 O ATOM 319 CB TRP A 22 -2.954 2.392 -4.388 1.00 10.00 C ATOM 320 CG TRP A 22 -2.508 3.696 -4.994 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.255 3.975 -5.415 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.298 4.872 -5.345 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.209 5.232 -5.966 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.454 5.824 -5.991 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.648 5.231 -5.190 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.936 7.046 -6.485 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.161 6.415 -5.743 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.315 7.307 -6.419 1.00 10.00 C ATOM 0 H TRP A 22 -1.910 0.507 -5.706 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.062 2.112 -3.401 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.533 1.842 -5.130 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.623 2.605 -3.555 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.411 3.306 -5.330 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.358 5.674 -6.314 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.306 4.581 -4.633 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.259 7.773 -6.908 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.213 6.640 -5.648 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.722 8.191 -6.887 1.00 10.00 H new ATOM 339 N LEU A 23 -2.312 0.792 -1.597 1.00 10.00 N ATOM 340 CA LEU A 23 -2.999 -0.003 -0.589 1.00 10.00 C ATOM 341 C LEU A 23 -3.473 0.921 0.522 1.00 10.00 C ATOM 342 O LEU A 23 -2.961 2.035 0.639 1.00 10.00 O ATOM 343 CB LEU A 23 -2.135 -1.158 -0.043 1.00 10.00 C ATOM 344 CG LEU A 23 -0.754 -1.381 -0.672 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.261 -0.527 0.072 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.367 -2.861 -0.588 1.00 10.00 C ATOM 0 H LEU A 23 -1.803 1.592 -1.222 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.857 -0.485 -1.056 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.993 -0.993 1.025 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.704 -2.081 -0.151 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.776 -1.095 -1.724 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.249 -0.674 -0.363 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.018 0.523 -0.009 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.280 -0.817 1.122 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.615 -3.006 -1.038 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.337 -3.171 0.457 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -1.103 -3.461 -1.123 1.00 10.00 H new ATOM 358 N ILE A 24 -4.453 0.475 1.313 1.00 10.00 N ATOM 359 CA ILE A 24 -4.978 1.240 2.438 1.00 10.00 C ATOM 360 C ILE A 24 -4.415 0.664 3.730 1.00 10.00 C ATOM 361 O ILE A 24 -4.607 -0.518 4.004 1.00 10.00 O ATOM 362 CB ILE A 24 -6.522 1.221 2.471 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.212 1.323 1.098 1.00 10.00 C ATOM 364 CG2 ILE A 24 -7.024 2.342 3.388 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.637 0.760 1.154 1.00 10.00 C ATOM 0 H ILE A 24 -4.904 -0.431 1.187 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.671 2.280 2.326 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.794 0.237 2.853 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.241 2.365 0.779 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.631 0.778 0.354 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.114 2.331 3.413 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.636 2.189 4.395 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.680 3.304 3.009 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.101 0.845 0.171 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.603 -0.289 1.450 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.222 1.323 1.881 1.00 10.00 H new ATOM 377 N LEU A 25 -3.725 1.508 4.502 1.00 10.00 N ATOM 378 CA LEU A 25 -3.156 1.185 5.803 1.00 10.00 C ATOM 379 C LEU A 25 -3.693 2.254 6.765 1.00 10.00 C ATOM 380 O LEU A 25 -3.086 3.310 6.928 1.00 10.00 O ATOM 381 CB LEU A 25 -1.616 1.178 5.732 1.00 10.00 C ATOM 382 CG LEU A 25 -0.910 -0.112 5.274 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.396 -0.620 3.920 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.608 0.113 5.157 1.00 10.00 C ATOM 0 H LEU A 25 -3.543 2.472 4.222 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.438 0.189 6.144 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.311 1.980 5.060 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.237 1.430 6.722 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.149 -0.855 6.035 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.857 -1.531 3.658 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.464 -0.832 3.973 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.215 0.140 3.160 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.089 -0.810 4.832 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.804 0.900 4.429 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.008 0.408 6.127 1.00 10.00 H new ATOM 396 N HIS A 26 -4.852 1.996 7.378 1.00 10.00 N ATOM 397 CA HIS A 26 -5.544 2.888 8.310 1.00 10.00 C ATOM 398 C HIS A 26 -6.208 4.066 7.587 1.00 10.00 C ATOM 399 O HIS A 26 -6.003 5.218 7.966 1.00 10.00 O ATOM 400 CB HIS A 26 -4.624 3.372 9.449 1.00 10.00 C ATOM 401 CG HIS A 26 -3.800 2.301 10.117 1.00 10.00 C ATOM 402 ND1 HIS A 26 -4.169 1.572 11.226 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.509 1.958 9.807 1.00 10.00 C ATOM 404 CE1 HIS A 26 -3.124 0.799 11.566 1.00 10.00 C ATOM 405 NE2 HIS A 26 -2.093 0.997 10.730 1.00 10.00 N ATOM 0 H HIS A 26 -5.355 1.121 7.231 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.337 2.299 8.771 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.949 4.130 9.050 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.238 3.859 10.207 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.920 2.359 8.995 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -3.115 0.112 12.399 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -1.184 0.536 10.763 1.00 10.00 H new ATOM 413 N TYR A 27 -7.001 3.791 6.544 1.00 10.00 N ATOM 414 CA TYR A 27 -7.743 4.764 5.727 1.00 10.00 C ATOM 415 C TYR A 27 -6.867 5.723 4.907 1.00 10.00 C ATOM 416 O TYR A 27 -7.256 6.112 3.806 1.00 10.00 O ATOM 417 CB TYR A 27 -8.836 5.491 6.523 1.00 10.00 C ATOM 418 CG TYR A 27 -10.068 4.634 6.746 1.00 10.00 C ATOM 419 CD1 TYR A 27 -11.108 4.655 5.798 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.103 3.704 7.801 1.00 10.00 C ATOM 421 CE1 TYR A 27 -12.159 3.725 5.881 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.162 2.783 7.891 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.174 2.776 6.915 1.00 10.00 C ATOM 424 OH TYR A 27 -13.160 1.836 6.969 1.00 10.00 O ATOM 0 H TYR A 27 -7.151 2.833 6.229 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.248 4.157 4.976 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.433 5.798 7.488 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.122 6.400 5.993 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -11.099 5.388 5.005 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.317 3.697 8.542 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.954 3.741 5.150 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -11.198 2.081 8.711 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.018 1.258 7.747 1.00 10.00 H new ATOM 434 N LYS A 28 -5.682 6.087 5.397 1.00 10.00 N ATOM 435 CA LYS A 28 -4.630 6.625 4.554 1.00 10.00 C ATOM 436 C LYS A 28 -4.319 5.625 3.425 1.00 10.00 C ATOM 437 O LYS A 28 -4.554 4.423 3.572 1.00 10.00 O ATOM 438 CB LYS A 28 -3.385 6.901 5.408 1.00 10.00 C ATOM 439 CG LYS A 28 -3.459 8.124 6.325 1.00 10.00 C ATOM 440 CD LYS A 28 -3.708 9.411 5.533 1.00 10.00 C ATOM 441 CE LYS A 28 -3.117 10.663 6.196 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.041 11.792 5.245 1.00 10.00 N ATOM 0 H LYS A 28 -5.431 6.016 6.383 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.952 7.563 4.103 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.188 6.022 6.022 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.531 7.022 4.742 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.258 7.985 7.054 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.529 8.216 6.885 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -3.282 9.302 4.536 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -4.782 9.549 5.408 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.729 10.947 7.052 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -2.121 10.439 6.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.037 12.689 5.771 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -2.169 11.715 4.684 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.864 11.767 4.610 1.00 10.00 H new ATOM 456 N VAL A 29 -3.780 6.130 2.312 1.00 10.00 N ATOM 457 CA VAL A 29 -3.501 5.378 1.091 1.00 10.00 C ATOM 458 C VAL A 29 -2.013 5.497 0.744 1.00 10.00 C ATOM 459 O VAL A 29 -1.420 6.567 0.912 1.00 10.00 O ATOM 460 CB VAL A 29 -4.401 5.878 -0.047 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.059 5.244 -1.391 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.861 5.516 0.224 1.00 10.00 C ATOM 0 H VAL A 29 -3.517 7.113 2.236 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.724 4.322 1.243 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.242 6.956 -0.088 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.727 5.635 -2.158 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.028 5.481 -1.653 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.177 4.162 -1.324 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.484 5.879 -0.594 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.959 4.433 0.302 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.183 5.977 1.158 1.00 10.00 H new ATOM 472 N TYR A 30 -1.423 4.377 0.310 1.00 10.00 N ATOM 473 CA TYR A 30 0.002 4.098 0.354 1.00 10.00 C ATOM 474 C TYR A 30 0.432 3.582 -1.013 1.00 10.00 C ATOM 475 O TYR A 30 -0.031 2.510 -1.392 1.00 10.00 O ATOM 476 CB TYR A 30 0.199 3.013 1.425 1.00 10.00 C ATOM 477 CG TYR A 30 -0.004 3.536 2.829 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.311 3.779 3.273 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.078 3.819 3.679 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.533 4.337 4.534 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.838 4.268 4.994 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.472 4.511 5.426 1.00 10.00 C ATOM 483 OH TYR A 30 -0.736 4.736 6.744 1.00 10.00 O ATOM 0 H TYR A 30 -1.958 3.611 -0.099 1.00 10.00 H new ATOM 0 HA TYR A 30 0.593 4.982 0.594 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.499 2.196 1.241 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.204 2.600 1.337 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.149 3.534 2.638 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.091 3.693 3.326 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.530 4.636 4.821 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.666 4.425 5.669 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.562 4.272 6.996 1.00 10.00 H new ATOM 493 N ASP A 31 1.281 4.319 -1.740 1.00 10.00 N ATOM 494 CA ASP A 31 1.774 3.927 -3.061 1.00 10.00 C ATOM 495 C ASP A 31 3.174 3.367 -2.911 1.00 10.00 C ATOM 496 O ASP A 31 3.987 4.003 -2.238 1.00 10.00 O ATOM 497 CB ASP A 31 1.869 5.137 -3.991 1.00 10.00 C ATOM 498 CG ASP A 31 1.950 4.739 -5.457 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.459 3.635 -5.741 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.427 5.521 -6.284 1.00 10.00 O ATOM 0 H ASP A 31 1.648 5.216 -1.421 1.00 10.00 H new ATOM 0 HA ASP A 31 1.084 3.194 -3.479 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.000 5.777 -3.839 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.748 5.725 -3.728 1.00 10.00 H new ATOM 505 N LEU A 32 3.467 2.214 -3.515 1.00 10.00 N ATOM 506 CA LEU A 32 4.811 1.658 -3.472 1.00 10.00 C ATOM 507 C LEU A 32 5.398 1.519 -4.887 1.00 10.00 C ATOM 508 O LEU A 32 6.266 2.301 -5.269 1.00 10.00 O ATOM 509 CB LEU A 32 4.879 0.363 -2.632 1.00 10.00 C ATOM 510 CG LEU A 32 3.760 0.106 -1.605 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.971 -1.292 -1.009 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.767 1.055 -0.406 1.00 10.00 C ATOM 0 H LEU A 32 2.793 1.653 -4.036 1.00 10.00 H new ATOM 0 HA LEU A 32 5.455 2.364 -2.948 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.900 -0.481 -3.321 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.829 0.361 -2.098 1.00 10.00 H new ATOM 0 HG LEU A 32 2.825 0.239 -2.149 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.189 -1.497 -0.278 1.00 10.00 H new ATOM 0 HD12 LEU A 32 3.929 -2.037 -1.804 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.945 -1.337 -0.522 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.946 0.801 0.264 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.713 0.961 0.127 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.647 2.081 -0.753 1.00 10.00 H new ATOM 524 N THR A 33 4.970 0.501 -5.645 1.00 10.00 N ATOM 525 CA THR A 33 5.428 0.141 -6.992 1.00 10.00 C ATOM 526 C THR A 33 6.937 -0.092 -7.128 1.00 10.00 C ATOM 527 O THR A 33 7.325 -1.192 -7.489 1.00 10.00 O ATOM 528 CB THR A 33 4.881 1.096 -8.059 1.00 10.00 C ATOM 529 OG1 THR A 33 3.492 0.891 -8.138 1.00 10.00 O ATOM 530 CG2 THR A 33 5.446 0.821 -9.456 1.00 10.00 C ATOM 0 H THR A 33 4.246 -0.135 -5.310 1.00 10.00 H new ATOM 0 HA THR A 33 4.995 -0.842 -7.175 1.00 10.00 H new ATOM 0 HB THR A 33 5.161 2.109 -7.768 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.284 -0.037 -7.901 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.021 1.530 -10.167 1.00 10.00 H new ATOM 0 HG22 THR A 33 6.530 0.932 -9.438 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.190 -0.194 -9.759 1.00 10.00 H new ATOM 538 N LYS A 34 7.822 0.874 -6.869 1.00 10.00 N ATOM 539 CA LYS A 34 9.243 0.540 -6.878 1.00 10.00 C ATOM 540 C LYS A 34 9.561 -0.404 -5.717 1.00 10.00 C ATOM 541 O LYS A 34 10.436 -1.250 -5.831 1.00 10.00 O ATOM 542 CB LYS A 34 10.156 1.778 -6.876 1.00 10.00 C ATOM 543 CG LYS A 34 11.608 1.278 -6.973 1.00 10.00 C ATOM 544 CD LYS A 34 12.664 2.349 -7.254 1.00 10.00 C ATOM 545 CE LYS A 34 14.003 1.595 -7.311 1.00 10.00 C ATOM 546 NZ LYS A 34 15.165 2.451 -7.602 1.00 10.00 N ATOM 0 H LYS A 34 7.594 1.846 -6.660 1.00 10.00 H new ATOM 0 HA LYS A 34 9.454 0.029 -7.818 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.918 2.432 -7.715 1.00 10.00 H new ATOM 0 HB3 LYS A 34 10.011 2.361 -5.967 1.00 10.00 H new ATOM 0 HG2 LYS A 34 11.864 0.779 -6.038 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.662 0.526 -7.761 1.00 10.00 H new ATOM 0 HD2 LYS A 34 12.462 2.863 -8.194 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.673 3.107 -6.471 1.00 10.00 H new ATOM 0 HE2 LYS A 34 14.165 1.093 -6.357 1.00 10.00 H new ATOM 0 HE3 LYS A 34 13.938 0.818 -8.073 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 16.027 1.870 -7.623 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 15.035 2.911 -8.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 15.255 3.177 -6.863 1.00 10.00 H new ATOM 560 N PHE A 35 8.854 -0.288 -4.592 1.00 10.00 N ATOM 561 CA PHE A 35 9.187 -1.041 -3.387 1.00 10.00 C ATOM 562 C PHE A 35 9.018 -2.540 -3.619 1.00 10.00 C ATOM 563 O PHE A 35 9.662 -3.352 -2.974 1.00 10.00 O ATOM 564 CB PHE A 35 8.300 -0.585 -2.232 1.00 10.00 C ATOM 565 CG PHE A 35 8.936 -0.825 -0.881 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.013 -0.011 -0.481 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.617 -1.975 -0.140 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.730 -0.309 0.689 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.384 -2.309 0.989 1.00 10.00 C ATOM 570 CZ PHE A 35 10.408 -1.455 1.430 1.00 10.00 C ATOM 0 H PHE A 35 8.044 0.324 -4.493 1.00 10.00 H new ATOM 0 HA PHE A 35 10.231 -0.851 -3.137 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.082 0.477 -2.343 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.347 -1.113 -2.280 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.289 0.847 -1.077 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.787 -2.599 -0.436 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.527 0.342 1.017 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.185 -3.228 1.521 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.947 -1.681 2.339 1.00 10.00 H new ATOM 580 N LEU A 36 8.168 -2.891 -4.582 1.00 10.00 N ATOM 581 CA LEU A 36 8.049 -4.217 -5.162 1.00 10.00 C ATOM 582 C LEU A 36 9.430 -4.853 -5.412 1.00 10.00 C ATOM 583 O LEU A 36 9.632 -6.030 -5.129 1.00 10.00 O ATOM 584 CB LEU A 36 7.272 -4.047 -6.472 1.00 10.00 C ATOM 585 CG LEU A 36 5.830 -3.530 -6.355 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.182 -3.651 -7.738 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.994 -4.340 -5.370 1.00 10.00 C ATOM 0 H LEU A 36 7.516 -2.224 -4.995 1.00 10.00 H new ATOM 0 HA LEU A 36 7.529 -4.891 -4.481 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.829 -3.362 -7.112 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.248 -5.010 -6.981 1.00 10.00 H new ATOM 0 HG LEU A 36 5.865 -2.502 -5.994 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.154 -3.291 -7.691 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.743 -3.053 -8.456 1.00 10.00 H new ATOM 0 HD13 LEU A 36 5.187 -4.695 -8.052 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.985 -3.931 -5.327 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.951 -5.379 -5.697 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.448 -4.290 -4.380 1.00 10.00 H new ATOM 599 N GLU A 37 10.377 -4.049 -5.910 1.00 10.00 N ATOM 600 CA GLU A 37 11.781 -4.390 -6.129 1.00 10.00 C ATOM 601 C GLU A 37 12.448 -4.871 -4.831 1.00 10.00 C ATOM 602 O GLU A 37 13.209 -5.834 -4.820 1.00 10.00 O ATOM 603 CB GLU A 37 12.466 -3.109 -6.639 1.00 10.00 C ATOM 604 CG GLU A 37 13.838 -3.285 -7.285 1.00 10.00 C ATOM 605 CD GLU A 37 14.405 -1.926 -7.695 1.00 10.00 C ATOM 606 OE1 GLU A 37 14.928 -1.220 -6.804 1.00 10.00 O ATOM 607 OE2 GLU A 37 14.264 -1.571 -8.884 1.00 10.00 O ATOM 0 H GLU A 37 10.168 -3.089 -6.185 1.00 10.00 H new ATOM 0 HA GLU A 37 11.870 -5.205 -6.847 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.805 -2.634 -7.364 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.569 -2.419 -5.801 1.00 10.00 H new ATOM 0 HG2 GLU A 37 14.517 -3.775 -6.587 1.00 10.00 H new ATOM 0 HG3 GLU A 37 13.757 -3.932 -8.158 1.00 10.00 H new ATOM 614 N GLU A 38 12.185 -4.135 -3.751 1.00 10.00 N ATOM 615 CA GLU A 38 12.831 -4.243 -2.449 1.00 10.00 C ATOM 616 C GLU A 38 12.244 -5.416 -1.654 1.00 10.00 C ATOM 617 O GLU A 38 12.965 -6.240 -1.093 1.00 10.00 O ATOM 618 CB GLU A 38 12.626 -2.883 -1.743 1.00 10.00 C ATOM 619 CG GLU A 38 13.574 -2.596 -0.570 1.00 10.00 C ATOM 620 CD GLU A 38 13.074 -3.072 0.794 1.00 10.00 C ATOM 621 OE1 GLU A 38 12.145 -3.905 0.829 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.608 -2.553 1.797 1.00 10.00 O ATOM 0 H GLU A 38 11.473 -3.405 -3.766 1.00 10.00 H new ATOM 0 HA GLU A 38 13.897 -4.453 -2.540 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.740 -2.090 -2.482 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.600 -2.834 -1.378 1.00 10.00 H new ATOM 0 HG2 GLU A 38 14.534 -3.069 -0.774 1.00 10.00 H new ATOM 0 HG3 GLU A 38 13.752 -1.522 -0.521 1.00 10.00 H new ATOM 629 N HIS A 39 10.913 -5.457 -1.613 1.00 10.00 N ATOM 630 CA HIS A 39 10.118 -6.105 -0.589 1.00 10.00 C ATOM 631 C HIS A 39 10.490 -7.571 -0.327 1.00 10.00 C ATOM 632 O HIS A 39 10.230 -8.414 -1.184 1.00 10.00 O ATOM 633 CB HIS A 39 8.645 -5.994 -1.002 1.00 10.00 C ATOM 634 CG HIS A 39 7.692 -6.403 0.085 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.545 -7.143 -0.077 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.715 -5.948 1.372 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.886 -7.109 1.096 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.570 -6.403 2.018 1.00 10.00 N ATOM 0 H HIS A 39 10.339 -5.016 -2.331 1.00 10.00 H new ATOM 0 HA HIS A 39 10.316 -5.595 0.354 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.433 -4.965 -1.294 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.473 -6.616 -1.880 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.249 -7.626 -0.925 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.490 -5.339 1.813 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.933 -7.585 1.275 1.00 10.00 H new ATOM 646 N PRO A 40 10.973 -7.926 0.879 1.00 10.00 N ATOM 647 CA PRO A 40 11.125 -9.311 1.312 1.00 10.00 C ATOM 648 C PRO A 40 9.845 -10.140 1.143 1.00 10.00 C ATOM 649 O PRO A 40 9.908 -11.297 0.740 1.00 10.00 O ATOM 650 CB PRO A 40 11.560 -9.238 2.780 1.00 10.00 C ATOM 651 CG PRO A 40 12.307 -7.909 2.836 1.00 10.00 C ATOM 652 CD PRO A 40 11.482 -7.027 1.901 1.00 10.00 C ATOM 0 HA PRO A 40 11.861 -9.824 0.693 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.706 -9.253 3.458 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.200 -10.076 3.056 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.343 -7.506 3.848 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.338 -8.008 2.496 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.668 -6.539 2.437 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.093 -6.238 1.463 1.00 10.00 H new ATOM 660 N GLY A 41 8.678 -9.551 1.432 1.00 10.00 N ATOM 661 CA GLY A 41 7.389 -10.196 1.202 1.00 10.00 C ATOM 662 C GLY A 41 7.135 -10.512 -0.279 1.00 10.00 C ATOM 663 O GLY A 41 6.256 -11.313 -0.590 1.00 10.00 O ATOM 0 H GLY A 41 8.606 -8.615 1.831 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.343 -11.120 1.779 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.594 -9.549 1.572 1.00 10.00 H new ATOM 667 N GLY A 42 7.869 -9.875 -1.197 1.00 10.00 N ATOM 668 CA GLY A 42 7.717 -10.055 -2.631 1.00 10.00 C ATOM 669 C GLY A 42 6.626 -9.158 -3.196 1.00 10.00 C ATOM 670 O GLY A 42 5.865 -8.525 -2.459 1.00 10.00 O ATOM 0 H GLY A 42 8.599 -9.207 -0.951 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.662 -9.836 -3.128 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.479 -11.097 -2.844 1.00 10.00 H new ATOM 674 N GLU A 43 6.587 -9.084 -4.527 1.00 10.00 N ATOM 675 CA GLU A 43 5.680 -8.222 -5.259 1.00 10.00 C ATOM 676 C GLU A 43 4.289 -8.846 -5.345 1.00 10.00 C ATOM 677 O GLU A 43 3.296 -8.173 -5.083 1.00 10.00 O ATOM 678 CB GLU A 43 6.293 -7.885 -6.629 1.00 10.00 C ATOM 679 CG GLU A 43 5.258 -7.523 -7.703 1.00 10.00 C ATOM 680 CD GLU A 43 5.888 -7.090 -9.021 1.00 10.00 C ATOM 681 OE1 GLU A 43 7.045 -6.630 -9.001 1.00 10.00 O ATOM 682 OE2 GLU A 43 5.162 -7.218 -10.034 1.00 10.00 O ATOM 0 H GLU A 43 7.199 -9.634 -5.130 1.00 10.00 H new ATOM 0 HA GLU A 43 5.544 -7.280 -4.728 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.986 -7.052 -6.511 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.877 -8.738 -6.974 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.613 -8.383 -7.881 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.623 -6.720 -7.330 1.00 10.00 H new ATOM 689 N GLU A 44 4.201 -10.122 -5.724 1.00 10.00 N ATOM 690 CA GLU A 44 2.931 -10.773 -6.013 1.00 10.00 C ATOM 691 C GLU A 44 1.918 -10.553 -4.885 1.00 10.00 C ATOM 692 O GLU A 44 0.811 -10.080 -5.131 1.00 10.00 O ATOM 693 CB GLU A 44 3.160 -12.261 -6.298 1.00 10.00 C ATOM 694 CG GLU A 44 4.086 -12.466 -7.503 1.00 10.00 C ATOM 695 CD GLU A 44 4.199 -13.943 -7.853 1.00 10.00 C ATOM 696 OE1 GLU A 44 4.709 -14.683 -6.985 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.761 -14.299 -8.967 1.00 10.00 O ATOM 0 H GLU A 44 5.012 -10.730 -5.838 1.00 10.00 H new ATOM 0 HA GLU A 44 2.501 -10.319 -6.906 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.594 -12.738 -5.419 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.203 -12.748 -6.486 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.702 -11.913 -8.360 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.074 -12.064 -7.280 1.00 10.00 H new ATOM 704 N VAL A 45 2.318 -10.831 -3.642 1.00 10.00 N ATOM 705 CA VAL A 45 1.461 -10.627 -2.479 1.00 10.00 C ATOM 706 C VAL A 45 1.029 -9.156 -2.353 1.00 10.00 C ATOM 707 O VAL A 45 -0.111 -8.866 -1.991 1.00 10.00 O ATOM 708 CB VAL A 45 2.153 -11.178 -1.216 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.294 -10.281 -0.719 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.145 -11.410 -0.087 1.00 10.00 C ATOM 0 H VAL A 45 3.241 -11.202 -3.417 1.00 10.00 H new ATOM 0 HA VAL A 45 0.536 -11.189 -2.606 1.00 10.00 H new ATOM 0 HB VAL A 45 2.592 -12.132 -1.508 1.00 10.00 H new ATOM 0 HG11 VAL A 45 3.742 -10.722 0.172 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.051 -10.190 -1.498 1.00 10.00 H new ATOM 0 HG13 VAL A 45 2.901 -9.293 -0.477 1.00 10.00 H new ATOM 0 HG21 VAL A 45 1.663 -11.799 0.790 1.00 10.00 H new ATOM 0 HG22 VAL A 45 0.660 -10.468 0.167 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.393 -12.129 -0.412 1.00 10.00 H new ATOM 720 N LEU A 46 1.917 -8.210 -2.674 1.00 10.00 N ATOM 721 CA LEU A 46 1.556 -6.803 -2.670 1.00 10.00 C ATOM 722 C LEU A 46 0.560 -6.519 -3.787 1.00 10.00 C ATOM 723 O LEU A 46 -0.385 -5.776 -3.562 1.00 10.00 O ATOM 724 CB LEU A 46 2.786 -5.890 -2.792 1.00 10.00 C ATOM 725 CG LEU A 46 3.699 -5.904 -1.558 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.965 -5.098 -1.866 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.022 -5.264 -0.344 1.00 10.00 C ATOM 0 H LEU A 46 2.884 -8.399 -2.938 1.00 10.00 H new ATOM 0 HA LEU A 46 1.091 -6.582 -1.710 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.366 -6.193 -3.664 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.451 -4.868 -2.972 1.00 10.00 H new ATOM 0 HG LEU A 46 3.929 -6.944 -1.327 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.620 -5.102 -0.995 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.485 -5.546 -2.713 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.692 -4.071 -2.110 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.701 -5.294 0.509 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.770 -4.228 -0.572 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.112 -5.814 -0.103 1.00 10.00 H new ATOM 739 N ARG A 47 0.733 -7.101 -4.977 1.00 10.00 N ATOM 740 CA ARG A 47 -0.178 -6.855 -6.090 1.00 10.00 C ATOM 741 C ARG A 47 -1.568 -7.362 -5.711 1.00 10.00 C ATOM 742 O ARG A 47 -2.555 -6.647 -5.849 1.00 10.00 O ATOM 743 CB ARG A 47 0.340 -7.512 -7.381 1.00 10.00 C ATOM 744 CG ARG A 47 -0.635 -7.269 -8.544 1.00 10.00 C ATOM 745 CD ARG A 47 -0.161 -7.879 -9.870 1.00 10.00 C ATOM 746 NE ARG A 47 0.852 -7.046 -10.539 1.00 10.00 N ATOM 747 CZ ARG A 47 2.181 -7.184 -10.466 1.00 10.00 C ATOM 748 NH1 ARG A 47 2.745 -8.153 -9.748 1.00 10.00 N ATOM 749 NH2 ARG A 47 2.967 -6.335 -11.123 1.00 10.00 N ATOM 0 H ARG A 47 1.495 -7.744 -5.191 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.237 -5.785 -6.288 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.321 -7.108 -7.632 1.00 10.00 H new ATOM 0 HB3 ARG A 47 0.467 -8.583 -7.224 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -1.608 -7.687 -8.287 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -0.774 -6.196 -8.675 1.00 10.00 H new ATOM 0 HD2 ARG A 47 0.252 -8.870 -9.684 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -1.016 -8.010 -10.533 1.00 10.00 H new ATOM 0 HE ARG A 47 0.504 -6.283 -11.120 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.161 -8.814 -9.236 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.761 -8.234 -9.710 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.556 -5.585 -11.678 1.00 10.00 H new ATOM 0 HH22 ARG A 47 3.981 -6.435 -11.072 1.00 10.00 H new ATOM 763 N GLU A 48 -1.609 -8.601 -5.221 1.00 10.00 N ATOM 764 CA GLU A 48 -2.794 -9.276 -4.719 1.00 10.00 C ATOM 765 C GLU A 48 -3.542 -8.384 -3.721 1.00 10.00 C ATOM 766 O GLU A 48 -4.752 -8.196 -3.823 1.00 10.00 O ATOM 767 CB GLU A 48 -2.309 -10.576 -4.062 1.00 10.00 C ATOM 768 CG GLU A 48 -3.435 -11.492 -3.560 1.00 10.00 C ATOM 769 CD GLU A 48 -4.269 -12.109 -4.681 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.774 -12.126 -5.830 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.381 -12.578 -4.359 1.00 10.00 O ATOM 0 H GLU A 48 -0.774 -9.184 -5.163 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.498 -9.494 -5.522 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.702 -11.127 -4.780 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.660 -10.325 -3.223 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.001 -12.292 -2.960 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.091 -10.921 -2.903 1.00 10.00 H new ATOM 778 N GLN A 49 -2.817 -7.857 -2.733 1.00 10.00 N ATOM 779 CA GLN A 49 -3.396 -7.117 -1.624 1.00 10.00 C ATOM 780 C GLN A 49 -3.697 -5.664 -2.023 1.00 10.00 C ATOM 781 O GLN A 49 -4.573 -5.026 -1.443 1.00 10.00 O ATOM 782 CB GLN A 49 -2.401 -7.208 -0.461 1.00 10.00 C ATOM 783 CG GLN A 49 -2.978 -6.779 0.889 1.00 10.00 C ATOM 784 CD GLN A 49 -3.889 -7.824 1.525 1.00 10.00 C ATOM 785 OE1 GLN A 49 -3.440 -8.912 1.873 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.157 -7.496 1.735 1.00 10.00 N ATOM 0 H GLN A 49 -1.801 -7.936 -2.685 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.355 -7.542 -1.327 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.044 -8.235 -0.382 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -1.535 -6.586 -0.688 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.157 -6.561 1.572 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.538 -5.853 0.757 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.504 -6.585 1.436 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.785 -8.155 2.196 1.00 10.00 H new ATOM 795 N ALA A 50 -2.938 -5.124 -2.981 1.00 10.00 N ATOM 796 CA ALA A 50 -3.072 -3.755 -3.448 1.00 10.00 C ATOM 797 C ALA A 50 -4.433 -3.519 -4.098 1.00 10.00 C ATOM 798 O ALA A 50 -5.153 -4.449 -4.453 1.00 10.00 O ATOM 799 CB ALA A 50 -1.944 -3.412 -4.423 1.00 10.00 C ATOM 0 H ALA A 50 -2.201 -5.643 -3.458 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.000 -3.097 -2.582 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.058 -2.383 -4.764 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.983 -3.523 -3.921 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.986 -4.085 -5.279 1.00 10.00 H new ATOM 805 N GLY A 51 -4.786 -2.243 -4.236 1.00 10.00 N ATOM 806 CA GLY A 51 -6.120 -1.809 -4.574 1.00 10.00 C ATOM 807 C GLY A 51 -7.137 -2.457 -3.663 1.00 10.00 C ATOM 808 O GLY A 51 -8.179 -2.951 -4.085 1.00 10.00 O ATOM 0 H GLY A 51 -4.130 -1.472 -4.111 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.188 -0.724 -4.490 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.339 -2.063 -5.611 1.00 10.00 H new ATOM 812 N GLY A 52 -6.836 -2.341 -2.372 1.00 10.00 N ATOM 813 CA GLY A 52 -7.744 -2.633 -1.312 1.00 10.00 C ATOM 814 C GLY A 52 -7.006 -2.360 -0.015 1.00 10.00 C ATOM 815 O GLY A 52 -5.945 -1.725 0.023 1.00 10.00 O ATOM 0 H GLY A 52 -5.921 -2.030 -2.045 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.637 -2.013 -1.386 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.072 -3.671 -1.359 1.00 10.00 H new ATOM 819 N ASP A 53 -7.609 -2.865 1.045 1.00 10.00 N ATOM 820 CA ASP A 53 -7.043 -2.833 2.377 1.00 10.00 C ATOM 821 C ASP A 53 -5.791 -3.696 2.440 1.00 10.00 C ATOM 822 O ASP A 53 -5.759 -4.792 1.881 1.00 10.00 O ATOM 823 CB ASP A 53 -8.049 -3.306 3.432 1.00 10.00 C ATOM 824 CG ASP A 53 -7.363 -3.325 4.790 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.834 -2.256 5.160 1.00 10.00 O ATOM 826 OD2 ASP A 53 -7.253 -4.409 5.397 1.00 10.00 O ATOM 0 H ASP A 53 -8.522 -3.317 1.002 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.784 -1.797 2.597 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.913 -2.641 3.455 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.419 -4.300 3.182 1.00 10.00 H new ATOM 831 N ALA A 54 -4.783 -3.217 3.166 1.00 10.00 N ATOM 832 CA ALA A 54 -3.756 -4.081 3.719 1.00 10.00 C ATOM 833 C ALA A 54 -3.423 -3.706 5.165 1.00 10.00 C ATOM 834 O ALA A 54 -2.362 -4.095 5.651 1.00 10.00 O ATOM 835 CB ALA A 54 -2.510 -4.027 2.836 1.00 10.00 C ATOM 0 H ALA A 54 -4.660 -2.228 3.383 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.136 -5.103 3.735 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.740 -4.676 3.253 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.762 -4.363 1.830 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.138 -3.003 2.794 1.00 10.00 H new ATOM 841 N THR A 55 -4.293 -2.959 5.855 1.00 10.00 N ATOM 842 CA THR A 55 -4.019 -2.454 7.191 1.00 10.00 C ATOM 843 C THR A 55 -3.704 -3.616 8.127 1.00 10.00 C ATOM 844 O THR A 55 -2.638 -3.654 8.737 1.00 10.00 O ATOM 845 CB THR A 55 -5.213 -1.635 7.725 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.624 -0.643 6.809 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.826 -0.927 9.025 1.00 10.00 C ATOM 0 H THR A 55 -5.209 -2.691 5.494 1.00 10.00 H new ATOM 0 HA THR A 55 -3.154 -1.792 7.144 1.00 10.00 H new ATOM 0 HB THR A 55 -6.029 -2.339 7.886 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.405 -0.961 6.311 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.676 -0.352 9.393 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.539 -1.668 9.771 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.988 -0.256 8.838 1.00 10.00 H new ATOM 855 N GLU A 56 -4.640 -4.565 8.225 1.00 10.00 N ATOM 856 CA GLU A 56 -4.530 -5.701 9.107 1.00 10.00 C ATOM 857 C GLU A 56 -3.302 -6.500 8.702 1.00 10.00 C ATOM 858 O GLU A 56 -2.409 -6.660 9.513 1.00 10.00 O ATOM 859 CB GLU A 56 -5.835 -6.509 9.034 1.00 10.00 C ATOM 860 CG GLU A 56 -5.882 -7.665 10.038 1.00 10.00 C ATOM 861 CD GLU A 56 -7.225 -8.379 9.960 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.391 -9.163 9.001 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.069 -8.102 10.839 1.00 10.00 O ATOM 0 H GLU A 56 -5.503 -4.553 7.681 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.398 -5.404 10.147 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.679 -5.843 9.216 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.954 -6.906 8.026 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.076 -8.369 9.831 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.722 -7.286 11.047 1.00 10.00 H new ATOM 870 N ASN A 57 -3.210 -6.946 7.447 1.00 10.00 N ATOM 871 CA ASN A 57 -2.098 -7.787 7.004 1.00 10.00 C ATOM 872 C ASN A 57 -0.743 -7.137 7.338 1.00 10.00 C ATOM 873 O ASN A 57 0.142 -7.762 7.925 1.00 10.00 O ATOM 874 CB ASN A 57 -2.258 -8.092 5.506 1.00 10.00 C ATOM 875 CG ASN A 57 -1.375 -9.246 5.033 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.407 -9.622 5.681 1.00 10.00 O ATOM 877 ND2 ASN A 57 -1.681 -9.816 3.871 1.00 10.00 N ATOM 0 H ASN A 57 -3.894 -6.738 6.719 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.117 -8.734 7.543 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.301 -8.332 5.299 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.016 -7.198 4.931 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.106 -10.577 3.509 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.491 -9.492 3.342 1.00 10.00 H new ATOM 884 N PHE A 58 -0.598 -5.851 7.002 1.00 10.00 N ATOM 885 CA PHE A 58 0.603 -5.083 7.295 1.00 10.00 C ATOM 886 C PHE A 58 0.938 -5.107 8.790 1.00 10.00 C ATOM 887 O PHE A 58 2.025 -5.533 9.185 1.00 10.00 O ATOM 888 CB PHE A 58 0.425 -3.641 6.802 1.00 10.00 C ATOM 889 CG PHE A 58 1.643 -2.764 7.006 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.782 -2.957 6.207 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.659 -1.784 8.015 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.926 -2.163 6.399 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.794 -0.976 8.193 1.00 10.00 C ATOM 894 CZ PHE A 58 3.929 -1.164 7.385 1.00 10.00 C ATOM 0 H PHE A 58 -1.318 -5.316 6.517 1.00 10.00 H new ATOM 0 HA PHE A 58 1.440 -5.542 6.770 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.177 -3.659 5.741 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.423 -3.193 7.320 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.779 -3.719 5.442 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.798 -1.653 8.653 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.802 -2.322 5.788 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.795 -0.208 8.953 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.801 -0.542 7.523 1.00 10.00 H new ATOM 904 N GLU A 59 0.021 -4.617 9.621 1.00 10.00 N ATOM 905 CA GLU A 59 0.262 -4.452 11.043 1.00 10.00 C ATOM 906 C GLU A 59 0.511 -5.800 11.722 1.00 10.00 C ATOM 907 O GLU A 59 1.463 -5.941 12.490 1.00 10.00 O ATOM 908 CB GLU A 59 -0.928 -3.704 11.653 1.00 10.00 C ATOM 909 CG GLU A 59 -0.854 -2.201 11.333 1.00 10.00 C ATOM 910 CD GLU A 59 0.341 -1.535 12.006 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.352 -1.527 13.255 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.327 -1.181 11.322 1.00 10.00 O ATOM 0 H GLU A 59 -0.909 -4.324 9.322 1.00 10.00 H new ATOM 0 HA GLU A 59 1.166 -3.865 11.203 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.859 -4.117 11.266 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.939 -3.850 12.733 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.787 -2.062 10.254 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.773 -1.714 11.660 1.00 10.00 H new ATOM 919 N ASP A 60 -0.347 -6.770 11.412 1.00 10.00 N ATOM 920 CA ASP A 60 -0.359 -8.143 11.891 1.00 10.00 C ATOM 921 C ASP A 60 1.019 -8.794 11.762 1.00 10.00 C ATOM 922 O ASP A 60 1.528 -9.361 12.727 1.00 10.00 O ATOM 923 CB ASP A 60 -1.408 -8.942 11.108 1.00 10.00 C ATOM 924 CG ASP A 60 -1.485 -10.369 11.631 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.120 -10.550 12.691 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.891 -11.246 10.969 1.00 10.00 O ATOM 0 H ASP A 60 -1.115 -6.596 10.764 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.617 -8.140 12.950 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.382 -8.462 11.198 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.153 -8.949 10.048 1.00 10.00 H new ATOM 931 N HIS A 61 1.651 -8.661 10.588 1.00 10.00 N ATOM 932 CA HIS A 61 3.011 -9.161 10.383 1.00 10.00 C ATOM 933 C HIS A 61 3.976 -8.625 11.452 1.00 10.00 C ATOM 934 O HIS A 61 4.934 -9.303 11.819 1.00 10.00 O ATOM 935 CB HIS A 61 3.522 -8.819 8.975 1.00 10.00 C ATOM 936 CG HIS A 61 4.946 -9.284 8.758 1.00 10.00 C ATOM 937 ND1 HIS A 61 5.471 -10.464 9.240 1.00 10.00 N ATOM 938 CD2 HIS A 61 6.005 -8.499 8.380 1.00 10.00 C ATOM 939 CE1 HIS A 61 6.809 -10.375 9.171 1.00 10.00 C ATOM 940 NE2 HIS A 61 7.183 -9.204 8.633 1.00 10.00 N ATOM 0 H HIS A 61 1.241 -8.212 9.769 1.00 10.00 H new ATOM 0 HA HIS A 61 2.974 -10.246 10.479 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.873 -9.282 8.232 1.00 10.00 H new ATOM 0 HB3 HIS A 61 3.465 -7.741 8.821 1.00 10.00 H new ATOM 0 HD2 HIS A 61 5.939 -7.507 7.959 1.00 10.00 H new ATOM 0 HE1 HIS A 61 7.492 -11.142 9.504 1.00 10.00 H new ATOM 0 HE2 HIS A 61 8.136 -8.892 8.446 1.00 10.00 H new ATOM 948 N GLY A 62 3.753 -7.400 11.930 1.00 10.00 N ATOM 949 CA GLY A 62 4.670 -6.739 12.838 1.00 10.00 C ATOM 950 C GLY A 62 5.857 -6.189 12.057 1.00 10.00 C ATOM 951 O GLY A 62 7.002 -6.341 12.478 1.00 10.00 O ATOM 0 H GLY A 62 2.930 -6.845 11.694 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.160 -5.930 13.361 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.015 -7.441 13.597 1.00 10.00 H new ATOM 955 N HIS A 63 5.568 -5.518 10.937 1.00 10.00 N ATOM 956 CA HIS A 63 6.561 -4.825 10.125 1.00 10.00 C ATOM 957 C HIS A 63 7.447 -3.920 10.989 1.00 10.00 C ATOM 958 O HIS A 63 6.980 -3.357 11.983 1.00 10.00 O ATOM 959 CB HIS A 63 5.845 -4.002 9.047 1.00 10.00 C ATOM 960 CG HIS A 63 5.485 -4.800 7.823 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.302 -5.456 7.586 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.258 -4.930 6.704 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.359 -5.965 6.342 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.532 -5.661 5.756 1.00 10.00 N ATOM 0 H HIS A 63 4.620 -5.443 10.567 1.00 10.00 H new ATOM 0 HA HIS A 63 7.207 -5.564 9.651 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.937 -3.573 9.472 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.484 -3.169 8.753 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.521 -5.542 8.236 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.256 -4.537 6.573 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.571 -6.539 5.877 1.00 10.00 H new ATOM 972 N SER A 64 8.718 -3.767 10.619 1.00 10.00 N ATOM 973 CA SER A 64 9.659 -2.935 11.354 1.00 10.00 C ATOM 974 C SER A 64 9.115 -1.516 11.502 1.00 10.00 C ATOM 975 O SER A 64 8.362 -1.039 10.655 1.00 10.00 O ATOM 976 CB SER A 64 11.012 -2.908 10.636 1.00 10.00 C ATOM 977 OG SER A 64 10.842 -2.496 9.293 1.00 10.00 O ATOM 0 H SER A 64 9.121 -4.219 9.799 1.00 10.00 H new ATOM 0 HA SER A 64 9.795 -3.361 12.348 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.692 -2.228 11.150 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.468 -3.898 10.666 1.00 10.00 H new ATOM 0 HG SER A 64 11.712 -2.480 8.843 1.00 10.00 H new ATOM 983 N THR A 65 9.540 -0.823 12.560 1.00 10.00 N ATOM 984 CA THR A 65 9.406 0.616 12.719 1.00 10.00 C ATOM 985 C THR A 65 9.808 1.342 11.441 1.00 10.00 C ATOM 986 O THR A 65 9.192 2.329 11.062 1.00 10.00 O ATOM 987 CB THR A 65 10.356 1.010 13.864 1.00 10.00 C ATOM 988 OG1 THR A 65 11.470 0.122 13.904 1.00 10.00 O ATOM 989 CG2 THR A 65 9.627 0.889 15.203 1.00 10.00 C ATOM 0 H THR A 65 10.002 -1.268 13.353 1.00 10.00 H new ATOM 0 HA THR A 65 8.373 0.889 12.936 1.00 10.00 H new ATOM 0 HB THR A 65 10.690 2.034 13.693 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.917 0.119 13.032 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.302 1.169 16.012 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.762 1.552 15.207 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.297 -0.140 15.346 1.00 10.00 H new ATOM 997 N ASP A 66 10.853 0.844 10.799 1.00 10.00 N ATOM 998 CA ASP A 66 11.500 1.377 9.626 1.00 10.00 C ATOM 999 C ASP A 66 10.564 1.240 8.421 1.00 10.00 C ATOM 1000 O ASP A 66 10.302 2.215 7.720 1.00 10.00 O ATOM 1001 CB ASP A 66 12.830 0.619 9.463 1.00 10.00 C ATOM 1002 CG ASP A 66 13.645 0.571 10.760 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.098 0.038 11.760 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.781 1.086 10.741 1.00 10.00 O ATOM 0 H ASP A 66 11.302 -0.015 11.117 1.00 10.00 H new ATOM 0 HA ASP A 66 11.719 2.441 9.714 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.625 -0.398 9.129 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.423 1.097 8.683 1.00 10.00 H new ATOM 1009 N ALA A 67 10.000 0.044 8.213 1.00 10.00 N ATOM 1010 CA ALA A 67 9.000 -0.210 7.184 1.00 10.00 C ATOM 1011 C ALA A 67 7.776 0.673 7.441 1.00 10.00 C ATOM 1012 O ALA A 67 7.215 1.288 6.537 1.00 10.00 O ATOM 1013 CB ALA A 67 8.607 -1.689 7.206 1.00 10.00 C ATOM 0 H ALA A 67 10.233 -0.782 8.765 1.00 10.00 H new ATOM 0 HA ALA A 67 9.409 0.028 6.202 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.859 -1.878 6.436 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.488 -2.302 7.015 1.00 10.00 H new ATOM 0 HB3 ALA A 67 8.194 -1.941 8.183 1.00 10.00 H new ATOM 1019 N ARG A 68 7.373 0.730 8.709 1.00 10.00 N ATOM 1020 CA ARG A 68 6.340 1.607 9.224 1.00 10.00 C ATOM 1021 C ARG A 68 6.641 3.076 8.874 1.00 10.00 C ATOM 1022 O ARG A 68 5.772 3.740 8.307 1.00 10.00 O ATOM 1023 CB ARG A 68 6.137 1.291 10.721 1.00 10.00 C ATOM 1024 CG ARG A 68 5.019 0.241 10.886 1.00 10.00 C ATOM 1025 CD ARG A 68 4.971 -0.415 12.273 1.00 10.00 C ATOM 1026 NE ARG A 68 3.798 -1.313 12.431 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.755 -2.430 13.182 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.872 -3.073 13.530 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.591 -2.918 13.615 1.00 10.00 N ATOM 0 H ARG A 68 7.780 0.137 9.432 1.00 10.00 H new ATOM 0 HA ARG A 68 5.378 1.428 8.744 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.066 0.918 11.153 1.00 10.00 H new ATOM 0 HB3 ARG A 68 5.877 2.201 11.262 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.058 0.716 10.688 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.152 -0.536 10.133 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.886 -0.984 12.435 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.938 0.360 13.038 1.00 10.00 H new ATOM 0 HE ARG A 68 2.949 -1.061 11.925 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.779 -2.720 13.226 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.818 -3.918 14.099 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.719 -2.444 13.378 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.573 -3.765 14.183 1.00 10.00 H new ATOM 1043 N GLU A 69 7.855 3.590 9.115 1.00 10.00 N ATOM 1044 CA GLU A 69 8.238 4.932 8.697 1.00 10.00 C ATOM 1045 C GLU A 69 7.994 5.034 7.197 1.00 10.00 C ATOM 1046 O GLU A 69 7.246 5.898 6.743 1.00 10.00 O ATOM 1047 CB GLU A 69 9.707 5.229 9.046 1.00 10.00 C ATOM 1048 CG GLU A 69 10.006 6.737 9.143 1.00 10.00 C ATOM 1049 CD GLU A 69 9.447 7.555 7.983 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.851 7.308 6.826 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.560 8.386 8.282 1.00 10.00 O ATOM 0 H GLU A 69 8.593 3.083 9.604 1.00 10.00 H new ATOM 0 HA GLU A 69 7.641 5.675 9.226 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.953 4.753 9.995 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.352 4.784 8.289 1.00 10.00 H new ATOM 0 HG2 GLU A 69 9.593 7.120 10.076 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.085 6.881 9.189 1.00 10.00 H new ATOM 1058 N LEU A 70 8.569 4.091 6.449 1.00 10.00 N ATOM 1059 CA LEU A 70 8.436 4.056 5.009 1.00 10.00 C ATOM 1060 C LEU A 70 6.972 4.200 4.589 1.00 10.00 C ATOM 1061 O LEU A 70 6.667 4.959 3.674 1.00 10.00 O ATOM 1062 CB LEU A 70 9.072 2.781 4.421 1.00 10.00 C ATOM 1063 CG LEU A 70 10.281 3.029 3.503 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.155 4.295 2.643 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.560 3.088 4.338 1.00 10.00 C ATOM 0 H LEU A 70 9.137 3.336 6.832 1.00 10.00 H new ATOM 0 HA LEU A 70 8.980 4.908 4.601 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.383 2.135 5.242 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.312 2.238 3.859 1.00 10.00 H new ATOM 0 HG LEU A 70 10.318 2.191 2.807 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.045 4.403 2.022 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.275 4.215 2.005 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.056 5.166 3.290 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.414 3.264 3.684 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.485 3.899 5.062 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.695 2.143 4.864 1.00 10.00 H new ATOM 1077 N SER A 71 6.051 3.531 5.287 1.00 10.00 N ATOM 1078 CA SER A 71 4.637 3.635 4.970 1.00 10.00 C ATOM 1079 C SER A 71 4.167 5.076 5.131 1.00 10.00 C ATOM 1080 O SER A 71 3.481 5.595 4.253 1.00 10.00 O ATOM 1081 CB SER A 71 3.826 2.587 5.758 1.00 10.00 C ATOM 1082 OG SER A 71 3.460 3.029 7.047 1.00 10.00 O ATOM 0 H SER A 71 6.265 2.915 6.072 1.00 10.00 H new ATOM 0 HA SER A 71 4.463 3.391 3.922 1.00 10.00 H new ATOM 0 HB2 SER A 71 2.926 2.335 5.197 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.413 1.673 5.846 1.00 10.00 H new ATOM 0 HG SER A 71 4.249 3.385 7.507 1.00 10.00 H new ATOM 1088 N LYS A 72 4.587 5.755 6.201 1.00 10.00 N ATOM 1089 CA LYS A 72 4.244 7.161 6.373 1.00 10.00 C ATOM 1090 C LYS A 72 4.737 7.955 5.163 1.00 10.00 C ATOM 1091 O LYS A 72 3.972 8.679 4.532 1.00 10.00 O ATOM 1092 CB LYS A 72 4.817 7.732 7.676 1.00 10.00 C ATOM 1093 CG LYS A 72 4.519 6.811 8.864 1.00 10.00 C ATOM 1094 CD LYS A 72 4.578 7.523 10.226 1.00 10.00 C ATOM 1095 CE LYS A 72 5.986 7.882 10.732 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.689 8.863 9.882 1.00 10.00 N ATOM 0 H LYS A 72 5.156 5.358 6.949 1.00 10.00 H new ATOM 0 HA LYS A 72 3.160 7.246 6.443 1.00 10.00 H new ATOM 0 HB2 LYS A 72 5.894 7.863 7.576 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.392 8.718 7.862 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.529 6.374 8.735 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.233 5.988 8.863 1.00 10.00 H new ATOM 0 HD2 LYS A 72 3.991 8.439 10.162 1.00 10.00 H new ATOM 0 HD3 LYS A 72 4.096 6.887 10.969 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.908 8.280 11.744 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.584 6.973 10.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.205 9.537 10.483 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.361 8.367 9.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 5.997 9.378 9.301 1.00 10.00 H new ATOM 1110 N THR A 73 6.009 7.769 4.820 1.00 10.00 N ATOM 1111 CA THR A 73 6.638 8.380 3.660 1.00 10.00 C ATOM 1112 C THR A 73 5.882 8.041 2.361 1.00 10.00 C ATOM 1113 O THR A 73 5.820 8.874 1.459 1.00 10.00 O ATOM 1114 CB THR A 73 8.130 8.001 3.668 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.732 8.624 4.792 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.875 8.477 2.420 1.00 10.00 C ATOM 0 H THR A 73 6.643 7.175 5.355 1.00 10.00 H new ATOM 0 HA THR A 73 6.582 9.467 3.709 1.00 10.00 H new ATOM 0 HB THR A 73 8.193 6.913 3.700 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.853 7.964 5.506 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.922 8.179 2.485 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.425 8.029 1.534 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.810 9.563 2.350 1.00 10.00 H new ATOM 1124 N PHE A 74 5.276 6.853 2.259 1.00 10.00 N ATOM 1125 CA PHE A 74 4.478 6.449 1.105 1.00 10.00 C ATOM 1126 C PHE A 74 3.042 6.971 1.136 1.00 10.00 C ATOM 1127 O PHE A 74 2.313 6.733 0.172 1.00 10.00 O ATOM 1128 CB PHE A 74 4.419 4.925 0.988 1.00 10.00 C ATOM 1129 CG PHE A 74 5.733 4.181 0.881 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.822 4.697 0.151 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.806 2.882 1.408 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.005 3.949 0.033 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.965 2.114 1.238 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.091 2.675 0.622 1.00 10.00 C ATOM 0 H PHE A 74 5.329 6.139 2.986 1.00 10.00 H new ATOM 0 HA PHE A 74 4.983 6.891 0.246 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.885 4.541 1.857 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.820 4.678 0.111 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.747 5.667 -0.318 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.964 2.473 1.947 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.848 4.352 -0.509 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.990 1.090 1.582 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.023 2.130 0.599 1.00 10.00 H new ATOM 1144 N ILE A 75 2.596 7.626 2.214 1.00 10.00 N ATOM 1145 CA ILE A 75 1.266 8.243 2.198 1.00 10.00 C ATOM 1146 C ILE A 75 1.141 9.219 1.027 1.00 10.00 C ATOM 1147 O ILE A 75 1.866 10.209 0.950 1.00 10.00 O ATOM 1148 CB ILE A 75 0.890 8.908 3.534 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.592 7.787 4.532 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.357 9.800 3.407 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.592 8.257 5.989 1.00 10.00 C ATOM 0 H ILE A 75 3.118 7.741 3.083 1.00 10.00 H new ATOM 0 HA ILE A 75 0.545 7.437 2.057 1.00 10.00 H new ATOM 0 HB ILE A 75 1.715 9.542 3.858 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.379 7.351 4.298 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.333 6.997 4.412 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.584 10.248 4.374 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -0.168 10.588 2.678 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.204 9.197 3.079 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.374 7.413 6.644 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.571 8.667 6.239 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.169 9.026 6.123 1.00 10.00 H new ATOM 1163 N ILE A 76 0.184 8.945 0.141 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.084 9.727 -1.065 1.00 10.00 C ATOM 1165 C ILE A 76 -1.474 10.370 -1.035 1.00 10.00 C ATOM 1166 O ILE A 76 -1.799 11.163 -1.923 1.00 10.00 O ATOM 1167 CB ILE A 76 0.010 8.803 -2.294 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.730 7.478 -2.014 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.472 8.566 -2.692 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.271 6.783 -3.257 1.00 10.00 C ATOM 0 H ILE A 76 -0.445 8.149 0.246 1.00 10.00 H new ATOM 0 HA ILE A 76 0.656 10.525 -1.117 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.475 9.289 -3.140 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.050 6.798 -1.500 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.558 7.676 -1.334 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.511 7.911 -3.562 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.942 9.519 -2.934 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.004 8.100 -1.863 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.775 5.861 -2.968 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.978 7.440 -3.763 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.447 6.550 -3.931 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.332 9.954 -0.100 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.769 9.968 -0.346 1.00 10.00 C ATOM 1184 C GLY A 77 -4.516 9.412 0.840 1.00 10.00 C ATOM 1185 O GLY A 77 -3.905 8.935 1.799 1.00 10.00 O ATOM 0 H GLY A 77 -2.059 9.609 0.820 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.099 10.987 -0.545 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.997 9.380 -1.235 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.841 9.436 0.715 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.765 8.816 1.626 1.00 10.00 C ATOM 1191 C GLU A 78 -7.904 8.159 0.866 1.00 10.00 C ATOM 1192 O GLU A 78 -8.260 8.587 -0.229 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.362 9.883 2.538 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.287 10.645 3.332 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.573 11.818 2.663 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -5.931 12.229 1.538 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.653 12.328 3.339 1.00 10.00 O ATOM 0 H GLU A 78 -6.306 9.910 -0.059 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.228 8.064 2.204 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.936 10.590 1.939 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -8.059 9.415 3.233 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.753 11.019 4.244 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.527 9.925 3.634 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.480 7.141 1.490 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.561 6.341 0.952 1.00 10.00 C ATOM 1206 C LEU A 79 -10.855 7.114 1.146 1.00 10.00 C ATOM 1207 O LEU A 79 -11.237 7.399 2.281 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.569 4.987 1.665 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.612 3.951 1.198 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.511 3.578 2.373 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.520 4.312 0.017 1.00 10.00 C ATOM 0 H LEU A 79 -8.192 6.841 2.422 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.439 6.146 -0.114 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.580 4.543 1.557 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.724 5.166 2.729 1.00 10.00 H new ATOM 0 HG LEU A 79 -9.991 3.136 0.826 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.250 2.846 2.048 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.906 3.152 3.173 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.020 4.470 2.739 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.196 3.482 -0.189 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.101 5.201 0.263 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.910 4.510 -0.864 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.484 7.504 0.037 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.604 8.418 0.043 1.00 10.00 C ATOM 1225 C HIS A 80 -13.784 8.024 0.953 1.00 10.00 C ATOM 1226 O HIS A 80 -13.915 6.862 1.345 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.944 8.742 -1.413 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.787 9.949 -1.674 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.099 9.940 -2.078 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.355 11.248 -1.630 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.477 11.223 -2.212 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.454 12.055 -1.940 1.00 10.00 N ATOM 0 H HIS A 80 -11.220 7.185 -0.895 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.313 9.342 0.542 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.008 8.862 -1.958 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.453 7.878 -1.840 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.355 11.585 -1.400 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.468 11.543 -2.499 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.476 13.075 -1.957 1.00 10.00 H new