USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.952 K(o=3.3,f=1.3) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.36 K(o=3.3,f=1.3) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 147:sc= 0 (180deg=0.0102) USER MOD Set 2.2: A 16 LYS NZ :NH3+ -107:sc= 0.826 (180deg=-0.715) USER MOD Single : A 7 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0528) USER MOD Single : A 13 TYR OH : rot 16:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.781 K(o=0.78,f=-0.088) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 45 THR OG1 : rot -88:sc= 0.893 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.16 K(o=1.2,f=-0.11) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.906 K(o=-0.91,f=-1.5) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.866 (180deg=0.831) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.0863 F(o=-1.5,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.801 2.202 -5.837 1.00 0.00 N ATOM 37 CA PRO A 3 -11.482 2.580 -5.339 1.00 0.00 C ATOM 38 C PRO A 3 -11.532 3.359 -4.022 1.00 0.00 C ATOM 39 O PRO A 3 -10.582 3.318 -3.249 1.00 0.00 O ATOM 40 CB PRO A 3 -10.836 3.415 -6.448 1.00 0.00 C ATOM 41 CG PRO A 3 -11.501 2.872 -7.710 1.00 0.00 C ATOM 42 CD PRO A 3 -12.927 2.595 -7.236 1.00 0.00 C ATOM 0 HA PRO A 3 -10.903 1.686 -5.108 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.027 4.480 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.754 3.286 -6.473 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.477 3.595 -8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.010 1.968 -8.071 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.555 3.480 -7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.390 1.804 -7.826 1.00 0.00 H new ATOM 50 N GLU A 4 -12.637 4.061 -3.748 1.00 0.00 N ATOM 51 CA GLU A 4 -12.872 4.817 -2.545 1.00 0.00 C ATOM 52 C GLU A 4 -12.628 3.944 -1.309 1.00 0.00 C ATOM 53 O GLU A 4 -12.096 4.410 -0.306 1.00 0.00 O ATOM 54 CB GLU A 4 -14.329 5.271 -2.613 1.00 0.00 C ATOM 55 CG GLU A 4 -14.626 6.220 -3.786 1.00 0.00 C ATOM 56 CD GLU A 4 -16.119 6.518 -3.875 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.834 5.644 -4.415 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.516 7.601 -3.396 1.00 0.00 O ATOM 0 H GLU A 4 -13.420 4.110 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.197 5.669 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.970 4.394 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.589 5.769 -1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.072 7.150 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.284 5.771 -4.719 1.00 0.00 H new ATOM 65 N GLU A 5 -13.000 2.664 -1.381 1.00 0.00 N ATOM 66 CA GLU A 5 -12.806 1.729 -0.282 1.00 0.00 C ATOM 67 C GLU A 5 -11.311 1.584 -0.017 1.00 0.00 C ATOM 68 O GLU A 5 -10.840 1.654 1.116 1.00 0.00 O ATOM 69 CB GLU A 5 -13.390 0.364 -0.657 1.00 0.00 C ATOM 70 CG GLU A 5 -14.880 0.464 -0.984 1.00 0.00 C ATOM 71 CD GLU A 5 -15.403 -0.870 -1.494 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.007 -1.220 -2.627 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.179 -1.512 -0.755 1.00 0.00 O ATOM 0 H GLU A 5 -13.443 2.252 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.309 2.101 0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.854 -0.039 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.243 -0.335 0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.435 0.763 -0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.043 1.237 -1.735 1.00 0.00 H new ATOM 80 N LEU A 6 -10.566 1.392 -1.102 1.00 0.00 N ATOM 81 CA LEU A 6 -9.125 1.206 -1.071 1.00 0.00 C ATOM 82 C LEU A 6 -8.471 2.492 -0.571 1.00 0.00 C ATOM 83 O LEU A 6 -7.503 2.452 0.180 1.00 0.00 O ATOM 84 CB LEU A 6 -8.611 0.760 -2.445 1.00 0.00 C ATOM 85 CG LEU A 6 -9.320 -0.507 -2.961 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.754 -0.882 -4.331 1.00 0.00 C ATOM 87 CD2 LEU A 6 -9.161 -1.703 -2.016 1.00 0.00 C ATOM 0 H LEU A 6 -10.958 1.361 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.857 0.408 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.753 1.569 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.539 0.573 -2.384 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.383 -0.275 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.254 -1.778 -4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.919 -0.062 -5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.685 -1.074 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -9.681 -2.566 -2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.103 -1.938 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.586 -1.457 -1.043 1.00 0.00 H new ATOM 99 N LYS A 7 -9.011 3.641 -0.971 1.00 0.00 N ATOM 100 CA LYS A 7 -8.567 4.944 -0.506 1.00 0.00 C ATOM 101 C LYS A 7 -8.787 5.033 1.007 1.00 0.00 C ATOM 102 O LYS A 7 -7.914 5.495 1.743 1.00 0.00 O ATOM 103 CB LYS A 7 -9.322 6.034 -1.275 1.00 0.00 C ATOM 104 CG LYS A 7 -8.617 7.390 -1.160 1.00 0.00 C ATOM 105 CD LYS A 7 -9.381 8.451 -1.959 1.00 0.00 C ATOM 106 CE LYS A 7 -8.641 9.795 -1.959 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.512 10.356 -0.603 1.00 0.00 N ATOM 0 H LYS A 7 -9.781 3.689 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.503 5.088 -0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.402 5.752 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.338 6.117 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.553 7.688 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.595 7.310 -1.531 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.516 8.108 -2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.376 8.582 -1.534 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.649 9.663 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.174 10.502 -2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.098 11.308 -0.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.451 10.412 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.896 9.744 -0.031 1.00 0.00 H new ATOM 121 N GLY A 8 -9.948 4.570 1.472 1.00 0.00 N ATOM 122 CA GLY A 8 -10.289 4.546 2.881 1.00 0.00 C ATOM 123 C GLY A 8 -9.239 3.725 3.618 1.00 0.00 C ATOM 124 O GLY A 8 -8.616 4.210 4.553 1.00 0.00 O ATOM 0 H GLY A 8 -10.681 4.199 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.325 5.560 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.278 4.112 3.024 1.00 0.00 H new ATOM 128 N ILE A 9 -9.034 2.483 3.176 1.00 0.00 N ATOM 129 CA ILE A 9 -8.055 1.554 3.732 1.00 0.00 C ATOM 130 C ILE A 9 -6.665 2.204 3.763 1.00 0.00 C ATOM 131 O ILE A 9 -5.996 2.205 4.795 1.00 0.00 O ATOM 132 CB ILE A 9 -8.085 0.260 2.897 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.423 -0.484 3.072 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.887 -0.650 3.183 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.480 -1.391 4.306 1.00 0.00 C ATOM 0 H ILE A 9 -9.561 2.086 2.398 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.301 1.303 4.764 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.002 0.554 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.228 0.248 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.610 -1.086 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.957 -1.548 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.964 -0.121 2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.886 -0.930 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.454 -1.877 4.356 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.699 -2.149 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.327 -0.793 5.204 1.00 0.00 H new ATOM 147 N PHE A 10 -6.231 2.763 2.631 1.00 0.00 N ATOM 148 CA PHE A 10 -4.951 3.445 2.505 1.00 0.00 C ATOM 149 C PHE A 10 -4.822 4.467 3.630 1.00 0.00 C ATOM 150 O PHE A 10 -3.851 4.440 4.377 1.00 0.00 O ATOM 151 CB PHE A 10 -4.850 4.136 1.139 1.00 0.00 C ATOM 152 CG PHE A 10 -3.643 5.040 0.988 1.00 0.00 C ATOM 153 CD1 PHE A 10 -2.394 4.495 0.648 1.00 0.00 C ATOM 154 CD2 PHE A 10 -3.706 6.353 1.495 1.00 0.00 C ATOM 155 CE1 PHE A 10 -1.225 5.210 0.959 1.00 0.00 C ATOM 156 CE2 PHE A 10 -2.550 6.936 2.033 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.301 6.370 1.748 1.00 0.00 C ATOM 0 H PHE A 10 -6.771 2.752 1.766 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.140 2.720 2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.819 3.374 0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.753 4.724 0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -2.333 3.537 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.634 6.904 1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.269 4.868 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.622 7.812 2.660 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.400 6.824 2.133 1.00 0.00 H new ATOM 167 N GLU A 11 -5.806 5.362 3.752 1.00 0.00 N ATOM 168 CA GLU A 11 -5.809 6.391 4.779 1.00 0.00 C ATOM 169 C GLU A 11 -5.755 5.745 6.168 1.00 0.00 C ATOM 170 O GLU A 11 -4.966 6.157 7.014 1.00 0.00 O ATOM 171 CB GLU A 11 -7.043 7.284 4.593 1.00 0.00 C ATOM 172 CG GLU A 11 -6.976 8.537 5.475 1.00 0.00 C ATOM 173 CD GLU A 11 -8.175 9.446 5.220 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.173 10.099 4.155 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.075 9.459 6.087 1.00 0.00 O ATOM 0 H GLU A 11 -6.620 5.388 3.138 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.925 7.022 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.124 7.579 3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.942 6.717 4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.951 8.247 6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.053 9.080 5.273 1.00 0.00 H new ATOM 182 N LYS A 12 -6.595 4.729 6.389 1.00 0.00 N ATOM 183 CA LYS A 12 -6.705 3.978 7.632 1.00 0.00 C ATOM 184 C LYS A 12 -5.309 3.566 8.099 1.00 0.00 C ATOM 185 O LYS A 12 -4.957 3.806 9.249 1.00 0.00 O ATOM 186 CB LYS A 12 -7.658 2.780 7.434 1.00 0.00 C ATOM 187 CG LYS A 12 -8.429 2.326 8.684 1.00 0.00 C ATOM 188 CD LYS A 12 -7.574 1.748 9.816 1.00 0.00 C ATOM 189 CE LYS A 12 -6.712 0.563 9.361 1.00 0.00 C ATOM 190 NZ LYS A 12 -6.018 -0.076 10.492 1.00 0.00 N ATOM 0 H LYS A 12 -7.242 4.398 5.673 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.137 4.595 8.419 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.379 3.038 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.078 1.936 7.061 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.988 3.177 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.160 1.575 8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.928 2.531 10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.224 1.428 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.341 -0.172 8.859 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.978 0.906 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.927 -1.096 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.072 0.342 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.564 0.074 11.364 1.00 0.00 H new ATOM 204 N TYR A 13 -4.505 2.956 7.222 1.00 0.00 N ATOM 205 CA TYR A 13 -3.153 2.563 7.592 1.00 0.00 C ATOM 206 C TYR A 13 -2.203 3.762 7.628 1.00 0.00 C ATOM 207 O TYR A 13 -1.495 3.935 8.617 1.00 0.00 O ATOM 208 CB TYR A 13 -2.642 1.436 6.694 1.00 0.00 C ATOM 209 CG TYR A 13 -3.181 0.086 7.110 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.452 -0.310 6.666 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.450 -0.753 7.975 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.020 -1.502 7.130 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.074 -1.881 8.534 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.356 -2.264 8.104 1.00 0.00 C ATOM 215 OH TYR A 13 -4.944 -3.373 8.632 1.00 0.00 O ATOM 0 H TYR A 13 -4.768 2.728 6.263 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.186 2.170 8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.929 1.638 5.662 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.553 1.415 6.724 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.993 0.307 5.964 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.419 -0.531 8.206 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.970 -1.836 6.738 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.567 -2.455 9.296 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.690 -3.651 8.061 1.00 0.00 H new ATOM 225 N ALA A 14 -2.162 4.604 6.587 1.00 0.00 N ATOM 226 CA ALA A 14 -1.256 5.750 6.566 1.00 0.00 C ATOM 227 C ALA A 14 -1.352 6.588 7.848 1.00 0.00 C ATOM 228 O ALA A 14 -0.340 7.059 8.360 1.00 0.00 O ATOM 229 CB ALA A 14 -1.535 6.587 5.322 1.00 0.00 C ATOM 0 H ALA A 14 -2.744 4.511 5.755 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.231 5.382 6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.861 7.444 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.376 5.979 4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.567 6.937 5.343 1.00 0.00 H new ATOM 235 N ALA A 15 -2.567 6.749 8.379 1.00 0.00 N ATOM 236 CA ALA A 15 -2.851 7.506 9.590 1.00 0.00 C ATOM 237 C ALA A 15 -2.028 7.063 10.804 1.00 0.00 C ATOM 238 O ALA A 15 -1.870 7.849 11.734 1.00 0.00 O ATOM 239 CB ALA A 15 -4.348 7.424 9.903 1.00 0.00 C ATOM 0 H ALA A 15 -3.403 6.341 7.961 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.558 8.537 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.562 7.990 10.809 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.917 7.841 9.072 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.632 6.382 10.051 1.00 0.00 H new ATOM 245 N LYS A 16 -1.510 5.831 10.829 1.00 0.00 N ATOM 246 CA LYS A 16 -0.713 5.365 11.954 1.00 0.00 C ATOM 247 C LYS A 16 0.649 6.060 11.974 1.00 0.00 C ATOM 248 O LYS A 16 1.143 6.406 13.044 1.00 0.00 O ATOM 249 CB LYS A 16 -0.515 3.844 11.862 1.00 0.00 C ATOM 250 CG LYS A 16 -1.157 3.060 13.010 1.00 0.00 C ATOM 251 CD LYS A 16 -2.681 3.200 13.099 1.00 0.00 C ATOM 252 CE LYS A 16 -3.363 2.773 11.799 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.821 2.891 11.913 1.00 0.00 N ATOM 0 H LYS A 16 -1.631 5.145 10.083 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.243 5.607 12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.930 3.491 10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.553 3.628 11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.907 2.005 12.897 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.718 3.393 13.951 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.055 2.593 13.923 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.939 4.235 13.323 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.007 3.392 10.976 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.094 1.743 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.241 1.943 11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.059 3.441 12.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.197 3.373 11.072 1.00 0.00 H new ATOM 267 N GLU A 17 1.257 6.233 10.795 1.00 0.00 N ATOM 268 CA GLU A 17 2.587 6.807 10.628 1.00 0.00 C ATOM 269 C GLU A 17 2.586 8.316 10.903 1.00 0.00 C ATOM 270 O GLU A 17 1.567 8.907 11.247 1.00 0.00 O ATOM 271 CB GLU A 17 2.931 6.658 9.124 1.00 0.00 C ATOM 272 CG GLU A 17 4.337 6.091 8.890 1.00 0.00 C ATOM 273 CD GLU A 17 4.401 4.574 9.030 1.00 0.00 C ATOM 274 OE1 GLU A 17 3.530 4.013 9.733 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.337 4.001 8.431 1.00 0.00 O ATOM 0 H GLU A 17 0.822 5.969 9.911 1.00 0.00 H new ATOM 0 HA GLU A 17 3.280 6.311 11.307 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.197 6.005 8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.851 7.631 8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.674 6.372 7.892 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.028 6.545 9.600 1.00 0.00 H new ATOM 282 N GLY A 18 3.752 8.945 10.742 1.00 0.00 N ATOM 283 CA GLY A 18 3.927 10.368 10.980 1.00 0.00 C ATOM 284 C GLY A 18 3.066 11.192 10.027 1.00 0.00 C ATOM 285 O GLY A 18 2.195 11.943 10.456 1.00 0.00 O ATOM 0 H GLY A 18 4.604 8.472 10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.662 10.603 12.011 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.976 10.635 10.852 1.00 0.00 H new ATOM 289 N ASP A 19 3.318 11.057 8.723 1.00 0.00 N ATOM 290 CA ASP A 19 2.570 11.769 7.695 1.00 0.00 C ATOM 291 C ASP A 19 1.338 10.933 7.318 1.00 0.00 C ATOM 292 O ASP A 19 1.513 9.882 6.704 1.00 0.00 O ATOM 293 CB ASP A 19 3.474 12.027 6.484 1.00 0.00 C ATOM 294 CG ASP A 19 2.817 12.959 5.468 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.573 12.893 5.339 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.579 13.725 4.839 1.00 0.00 O ATOM 0 H ASP A 19 4.049 10.449 8.354 1.00 0.00 H new ATOM 0 HA ASP A 19 2.233 12.738 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.415 12.463 6.820 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.715 11.079 6.003 1.00 0.00 H new ATOM 301 N PRO A 20 0.105 11.362 7.641 1.00 0.00 N ATOM 302 CA PRO A 20 -1.095 10.587 7.353 1.00 0.00 C ATOM 303 C PRO A 20 -1.354 10.361 5.860 1.00 0.00 C ATOM 304 O PRO A 20 -2.212 9.554 5.515 1.00 0.00 O ATOM 305 CB PRO A 20 -2.247 11.334 8.034 1.00 0.00 C ATOM 306 CG PRO A 20 -1.748 12.776 8.085 1.00 0.00 C ATOM 307 CD PRO A 20 -0.247 12.602 8.317 1.00 0.00 C ATOM 0 HA PRO A 20 -0.982 9.574 7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.173 11.249 7.466 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -2.447 10.942 9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.956 13.310 7.158 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.220 13.340 8.890 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.314 13.444 7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.017 12.549 9.381 1.00 0.00 H new ATOM 315 N ASN A 21 -0.640 11.046 4.961 1.00 0.00 N ATOM 316 CA ASN A 21 -0.800 10.863 3.526 1.00 0.00 C ATOM 317 C ASN A 21 0.128 9.759 3.005 1.00 0.00 C ATOM 318 O ASN A 21 -0.048 9.315 1.870 1.00 0.00 O ATOM 319 CB ASN A 21 -0.534 12.206 2.838 1.00 0.00 C ATOM 320 CG ASN A 21 -0.494 12.087 1.320 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.518 12.007 0.655 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.695 12.077 0.742 1.00 0.00 N ATOM 0 H ASN A 21 0.063 11.741 5.213 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.816 10.540 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.310 12.916 3.123 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.414 12.610 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.768 12.002 -0.273 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.539 12.145 1.311 1.00 0.00 H new ATOM 329 N GLN A 22 1.107 9.301 3.799 1.00 0.00 N ATOM 330 CA GLN A 22 2.062 8.290 3.361 1.00 0.00 C ATOM 331 C GLN A 22 2.015 6.982 4.155 1.00 0.00 C ATOM 332 O GLN A 22 1.800 6.960 5.361 1.00 0.00 O ATOM 333 CB GLN A 22 3.493 8.835 3.435 1.00 0.00 C ATOM 334 CG GLN A 22 3.904 9.745 2.272 1.00 0.00 C ATOM 335 CD GLN A 22 3.877 11.191 2.712 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.961 11.939 2.396 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.884 11.608 3.461 1.00 0.00 N ATOM 0 H GLN A 22 1.253 9.623 4.756 1.00 0.00 H new ATOM 0 HA GLN A 22 1.769 8.060 2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.606 9.389 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.184 7.993 3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.904 9.480 1.928 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.228 9.600 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.635 10.964 3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.910 12.573 3.790 1.00 0.00 H new ATOM 346 N LEU A 23 2.270 5.884 3.441 1.00 0.00 N ATOM 347 CA LEU A 23 2.400 4.531 3.954 1.00 0.00 C ATOM 348 C LEU A 23 3.892 4.226 4.028 1.00 0.00 C ATOM 349 O LEU A 23 4.512 3.962 3.003 1.00 0.00 O ATOM 350 CB LEU A 23 1.804 3.544 2.950 1.00 0.00 C ATOM 351 CG LEU A 23 0.322 3.232 3.115 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.078 2.312 1.953 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.004 2.527 4.431 1.00 0.00 C ATOM 0 H LEU A 23 2.398 5.925 2.430 1.00 0.00 H new ATOM 0 HA LEU A 23 1.899 4.445 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.962 3.939 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.361 2.609 3.016 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.227 4.174 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.136 2.063 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.104 2.821 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.514 1.397 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.075 2.334 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.538 1.583 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.293 3.161 5.267 1.00 0.00 H new ATOM 365 N SER A 24 4.500 4.241 5.208 1.00 0.00 N ATOM 366 CA SER A 24 5.918 3.919 5.311 1.00 0.00 C ATOM 367 C SER A 24 6.113 2.442 4.967 1.00 0.00 C ATOM 368 O SER A 24 5.143 1.695 4.919 1.00 0.00 O ATOM 369 CB SER A 24 6.413 4.219 6.724 1.00 0.00 C ATOM 370 OG SER A 24 5.756 3.384 7.660 1.00 0.00 O ATOM 0 H SER A 24 4.044 4.468 6.092 1.00 0.00 H new ATOM 0 HA SER A 24 6.495 4.526 4.614 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.490 4.063 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.229 5.265 6.967 1.00 0.00 H new ATOM 376 N LYS A 25 7.347 1.992 4.743 1.00 0.00 N ATOM 377 CA LYS A 25 7.616 0.582 4.485 1.00 0.00 C ATOM 378 C LYS A 25 7.017 -0.272 5.603 1.00 0.00 C ATOM 379 O LYS A 25 6.316 -1.260 5.383 1.00 0.00 O ATOM 380 CB LYS A 25 9.126 0.421 4.247 1.00 0.00 C ATOM 381 CG LYS A 25 10.001 -0.440 5.165 1.00 0.00 C ATOM 382 CD LYS A 25 10.634 0.300 6.356 1.00 0.00 C ATOM 383 CE LYS A 25 11.643 1.371 5.917 1.00 0.00 C ATOM 384 NZ LYS A 25 12.358 1.937 7.074 1.00 0.00 N ATOM 0 H LYS A 25 8.176 2.586 4.735 1.00 0.00 H new ATOM 0 HA LYS A 25 7.128 0.218 3.581 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.246 0.028 3.237 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.555 1.423 4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.397 -1.262 5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.799 -0.883 4.568 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.847 0.768 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.134 -0.421 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.360 0.935 5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.123 2.166 5.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.033 2.658 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.674 2.373 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.872 1.180 7.568 1.00 0.00 H new ATOM 398 N GLU A 26 7.294 0.180 6.820 1.00 0.00 N ATOM 399 CA GLU A 26 6.784 -0.392 8.053 1.00 0.00 C ATOM 400 C GLU A 26 5.254 -0.466 7.981 1.00 0.00 C ATOM 401 O GLU A 26 4.665 -1.503 8.267 1.00 0.00 O ATOM 402 CB GLU A 26 7.258 0.471 9.232 1.00 0.00 C ATOM 403 CG GLU A 26 6.791 -0.073 10.588 1.00 0.00 C ATOM 404 CD GLU A 26 7.263 0.828 11.724 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.708 1.945 11.827 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.179 0.393 12.456 1.00 0.00 O ATOM 0 H GLU A 26 7.902 0.984 6.977 1.00 0.00 H new ATOM 0 HA GLU A 26 7.161 -1.405 8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.347 0.526 9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.886 1.488 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.703 -0.144 10.602 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.178 -1.082 10.733 1.00 0.00 H new ATOM 413 N GLU A 27 4.595 0.629 7.601 1.00 0.00 N ATOM 414 CA GLU A 27 3.144 0.654 7.517 1.00 0.00 C ATOM 415 C GLU A 27 2.609 -0.273 6.421 1.00 0.00 C ATOM 416 O GLU A 27 1.623 -0.984 6.622 1.00 0.00 O ATOM 417 CB GLU A 27 2.678 2.102 7.323 1.00 0.00 C ATOM 418 CG GLU A 27 1.207 2.296 7.707 1.00 0.00 C ATOM 419 CD GLU A 27 0.932 1.999 9.178 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.774 2.406 10.007 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.105 1.353 9.442 1.00 0.00 O ATOM 0 H GLU A 27 5.047 1.507 7.348 1.00 0.00 H new ATOM 0 HA GLU A 27 2.733 0.271 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.299 2.765 7.925 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.821 2.391 6.282 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.912 3.322 7.488 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.587 1.647 7.089 1.00 0.00 H new ATOM 428 N LEU A 28 3.253 -0.277 5.253 1.00 0.00 N ATOM 429 CA LEU A 28 2.845 -1.111 4.143 1.00 0.00 C ATOM 430 C LEU A 28 2.838 -2.573 4.578 1.00 0.00 C ATOM 431 O LEU A 28 1.917 -3.308 4.232 1.00 0.00 O ATOM 432 CB LEU A 28 3.813 -0.882 2.978 1.00 0.00 C ATOM 433 CG LEU A 28 3.399 -1.624 1.701 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.126 -1.032 1.083 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.549 -1.543 0.700 1.00 0.00 C ATOM 0 H LEU A 28 4.071 0.301 5.059 1.00 0.00 H new ATOM 0 HA LEU A 28 1.837 -0.853 3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.874 0.186 2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.811 -1.206 3.273 1.00 0.00 H new ATOM 0 HG LEU A 28 3.182 -2.661 1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.868 -1.586 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.307 -1.102 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.297 0.014 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.272 -2.066 -0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.760 -0.498 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.438 -2.007 1.128 1.00 0.00 H new ATOM 447 N LYS A 29 3.857 -2.991 5.337 1.00 0.00 N ATOM 448 CA LYS A 29 3.970 -4.359 5.822 1.00 0.00 C ATOM 449 C LYS A 29 2.645 -4.799 6.445 1.00 0.00 C ATOM 450 O LYS A 29 1.966 -5.669 5.897 1.00 0.00 O ATOM 451 CB LYS A 29 5.145 -4.471 6.806 1.00 0.00 C ATOM 452 CG LYS A 29 5.205 -5.801 7.569 1.00 0.00 C ATOM 453 CD LYS A 29 5.332 -7.026 6.657 1.00 0.00 C ATOM 454 CE LYS A 29 6.665 -7.068 5.908 1.00 0.00 C ATOM 455 NZ LYS A 29 6.774 -8.286 5.085 1.00 0.00 N ATOM 0 H LYS A 29 4.624 -2.385 5.629 1.00 0.00 H new ATOM 0 HA LYS A 29 4.179 -5.032 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.077 -4.338 6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.080 -3.655 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.052 -5.779 8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.306 -5.903 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.227 -7.931 7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.515 -7.023 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.756 -6.187 5.273 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.488 -7.033 6.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.688 -8.289 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.710 -9.125 5.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.001 -8.305 4.389 1.00 0.00 H new ATOM 469 N LEU A 30 2.281 -4.202 7.583 1.00 0.00 N ATOM 470 CA LEU A 30 1.035 -4.520 8.266 1.00 0.00 C ATOM 471 C LEU A 30 -0.161 -4.429 7.315 1.00 0.00 C ATOM 472 O LEU A 30 -0.991 -5.336 7.297 1.00 0.00 O ATOM 473 CB LEU A 30 0.784 -3.672 9.528 1.00 0.00 C ATOM 474 CG LEU A 30 1.661 -2.438 9.789 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.913 -1.471 10.714 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.976 -2.821 10.474 1.00 0.00 C ATOM 0 H LEU A 30 2.841 -3.489 8.051 1.00 0.00 H new ATOM 0 HA LEU A 30 1.145 -5.550 8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.253 -3.337 9.497 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.880 -4.331 10.391 1.00 0.00 H new ATOM 0 HG LEU A 30 1.880 -1.976 8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.533 -0.594 10.901 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.019 -1.162 10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.693 -1.968 11.659 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.572 -1.925 10.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.762 -3.301 11.429 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.531 -3.510 9.837 1.00 0.00 H new ATOM 488 N LEU A 31 -0.256 -3.349 6.536 1.00 0.00 N ATOM 489 CA LEU A 31 -1.357 -3.142 5.602 1.00 0.00 C ATOM 490 C LEU A 31 -1.579 -4.366 4.726 1.00 0.00 C ATOM 491 O LEU A 31 -2.648 -4.975 4.745 1.00 0.00 O ATOM 492 CB LEU A 31 -1.077 -1.927 4.704 1.00 0.00 C ATOM 493 CG LEU A 31 -2.314 -1.299 4.029 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.903 -0.571 2.754 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.461 -2.239 3.669 1.00 0.00 C ATOM 0 H LEU A 31 0.431 -2.595 6.538 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.256 -2.965 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.584 -1.161 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.374 -2.226 3.927 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.703 -0.635 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.784 -0.132 2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.191 0.217 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.440 -1.277 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.265 -1.670 3.202 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.104 -2.999 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.835 -2.720 4.573 1.00 0.00 H new ATOM 507 N LEU A 32 -0.565 -4.718 3.941 1.00 0.00 N ATOM 508 CA LEU A 32 -0.694 -5.801 2.984 1.00 0.00 C ATOM 509 C LEU A 32 -0.967 -7.115 3.692 1.00 0.00 C ATOM 510 O LEU A 32 -1.808 -7.893 3.257 1.00 0.00 O ATOM 511 CB LEU A 32 0.533 -5.909 2.073 1.00 0.00 C ATOM 512 CG LEU A 32 0.875 -4.627 1.306 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.069 -4.911 0.390 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.292 -4.088 0.476 1.00 0.00 C ATOM 0 H LEU A 32 0.350 -4.268 3.952 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.547 -5.573 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.394 -6.195 2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.366 -6.712 1.355 1.00 0.00 H new ATOM 0 HG LEU A 32 1.112 -3.858 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.326 -4.008 -0.164 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.923 -5.223 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.809 -5.705 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.018 -3.180 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.594 -4.837 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.132 -3.863 1.133 1.00 0.00 H new ATOM 526 N GLN A 33 -0.261 -7.352 4.792 1.00 0.00 N ATOM 527 CA GLN A 33 -0.378 -8.570 5.555 1.00 0.00 C ATOM 528 C GLN A 33 -1.794 -8.745 6.107 1.00 0.00 C ATOM 529 O GLN A 33 -2.335 -9.845 6.080 1.00 0.00 O ATOM 530 CB GLN A 33 0.656 -8.479 6.676 1.00 0.00 C ATOM 531 CG GLN A 33 2.054 -9.020 6.334 1.00 0.00 C ATOM 532 CD GLN A 33 2.449 -8.992 4.856 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.593 -10.026 4.221 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.644 -7.824 4.269 1.00 0.00 N ATOM 0 H GLN A 33 0.414 -6.691 5.176 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.193 -9.443 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.753 -7.435 6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.277 -9.023 7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.790 -8.445 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.118 -10.050 6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.524 -6.961 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.915 -7.786 3.286 1.00 0.00 H new ATOM 543 N THR A 34 -2.388 -7.669 6.618 1.00 0.00 N ATOM 544 CA THR A 34 -3.711 -7.713 7.218 1.00 0.00 C ATOM 545 C THR A 34 -4.824 -7.694 6.167 1.00 0.00 C ATOM 546 O THR A 34 -5.732 -8.518 6.213 1.00 0.00 O ATOM 547 CB THR A 34 -3.857 -6.547 8.211 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.736 -6.507 9.069 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.113 -6.696 9.075 1.00 0.00 C ATOM 0 H THR A 34 -1.961 -6.743 6.626 1.00 0.00 H new ATOM 0 HA THR A 34 -3.815 -8.657 7.753 1.00 0.00 H new ATOM 0 HB THR A 34 -3.933 -5.630 7.627 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.977 -6.106 8.597 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.183 -5.854 9.764 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.995 -6.715 8.435 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.056 -7.625 9.642 1.00 0.00 H new ATOM 557 N GLU A 35 -4.779 -6.741 5.233 1.00 0.00 N ATOM 558 CA GLU A 35 -5.835 -6.546 4.249 1.00 0.00 C ATOM 559 C GLU A 35 -5.701 -7.388 2.983 1.00 0.00 C ATOM 560 O GLU A 35 -6.726 -7.741 2.404 1.00 0.00 O ATOM 561 CB GLU A 35 -5.927 -5.064 3.870 1.00 0.00 C ATOM 562 CG GLU A 35 -6.055 -4.133 5.085 1.00 0.00 C ATOM 563 CD GLU A 35 -7.248 -4.441 5.982 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.329 -4.733 5.428 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.056 -4.345 7.215 1.00 0.00 O ATOM 0 H GLU A 35 -4.005 -6.083 5.141 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.748 -6.888 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.040 -4.786 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.786 -4.916 3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.142 -4.199 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.134 -3.104 4.734 1.00 0.00 H new ATOM 572 N PHE A 36 -4.485 -7.705 2.524 1.00 0.00 N ATOM 573 CA PHE A 36 -4.305 -8.437 1.277 1.00 0.00 C ATOM 574 C PHE A 36 -3.315 -9.599 1.418 1.00 0.00 C ATOM 575 O PHE A 36 -2.429 -9.703 0.574 1.00 0.00 O ATOM 576 CB PHE A 36 -3.808 -7.438 0.212 1.00 0.00 C ATOM 577 CG PHE A 36 -4.603 -6.149 0.087 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.915 -6.167 -0.420 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.026 -4.924 0.469 1.00 0.00 C ATOM 580 CE1 PHE A 36 -6.646 -4.971 -0.523 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.760 -3.730 0.380 1.00 0.00 C ATOM 582 CZ PHE A 36 -6.076 -3.755 -0.104 1.00 0.00 C ATOM 0 H PHE A 36 -3.616 -7.464 3.000 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.258 -8.879 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.772 -7.183 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.810 -7.938 -0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.361 -7.100 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.010 -4.902 0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.648 -4.986 -0.925 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.312 -2.795 0.683 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.651 -2.842 -0.155 1.00 0.00 H new ATOM 592 N PRO A 37 -3.431 -10.479 2.430 1.00 0.00 N ATOM 593 CA PRO A 37 -2.482 -11.565 2.656 1.00 0.00 C ATOM 594 C PRO A 37 -2.239 -12.400 1.399 1.00 0.00 C ATOM 595 O PRO A 37 -1.097 -12.617 1.007 1.00 0.00 O ATOM 596 CB PRO A 37 -3.034 -12.385 3.829 1.00 0.00 C ATOM 597 CG PRO A 37 -4.490 -11.936 3.963 1.00 0.00 C ATOM 598 CD PRO A 37 -4.468 -10.500 3.445 1.00 0.00 C ATOM 0 HA PRO A 37 -1.495 -11.174 2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.966 -13.455 3.632 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.474 -12.194 4.745 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.160 -12.564 3.376 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.832 -11.985 4.997 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.434 -10.217 3.027 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.249 -9.795 4.247 1.00 0.00 H new ATOM 702 N THR A 45 9.566 -9.880 -1.905 1.00 0.00 N ATOM 703 CA THR A 45 10.206 -9.492 -0.657 1.00 0.00 C ATOM 704 C THR A 45 9.780 -8.071 -0.297 1.00 0.00 C ATOM 705 O THR A 45 9.422 -7.278 -1.169 1.00 0.00 O ATOM 706 CB THR A 45 11.738 -9.597 -0.724 1.00 0.00 C ATOM 707 OG1 THR A 45 12.242 -8.666 -1.651 1.00 0.00 O ATOM 708 CG2 THR A 45 12.240 -10.998 -1.082 1.00 0.00 C ATOM 0 HA THR A 45 9.882 -10.186 0.118 1.00 0.00 H new ATOM 0 HB THR A 45 12.105 -9.378 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.261 -9.070 -2.544 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.330 -10.998 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.897 -11.710 -0.331 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.851 -11.285 -2.059 1.00 0.00 H new ATOM 716 N LEU A 46 9.828 -7.767 1.003 1.00 0.00 N ATOM 717 CA LEU A 46 9.487 -6.481 1.592 1.00 0.00 C ATOM 718 C LEU A 46 10.140 -5.346 0.807 1.00 0.00 C ATOM 719 O LEU A 46 9.476 -4.414 0.370 1.00 0.00 O ATOM 720 CB LEU A 46 9.969 -6.504 3.054 1.00 0.00 C ATOM 721 CG LEU A 46 9.552 -5.309 3.930 1.00 0.00 C ATOM 722 CD1 LEU A 46 9.933 -5.627 5.383 1.00 0.00 C ATOM 723 CD2 LEU A 46 10.224 -3.982 3.558 1.00 0.00 C ATOM 0 H LEU A 46 10.121 -8.449 1.703 1.00 0.00 H new ATOM 0 HA LEU A 46 8.411 -6.310 1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.599 -7.416 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.057 -6.565 3.054 1.00 0.00 H new ATOM 0 HG LEU A 46 8.481 -5.177 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.647 -4.794 6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.413 -6.529 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.009 -5.785 5.451 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.872 -3.196 4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.305 -4.082 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.973 -3.723 2.529 1.00 0.00 H new ATOM 735 N ASP A 47 11.457 -5.434 0.637 1.00 0.00 N ATOM 736 CA ASP A 47 12.263 -4.433 -0.019 1.00 0.00 C ATOM 737 C ASP A 47 11.825 -4.284 -1.463 1.00 0.00 C ATOM 738 O ASP A 47 11.487 -3.184 -1.871 1.00 0.00 O ATOM 739 CB ASP A 47 13.739 -4.809 0.105 1.00 0.00 C ATOM 740 CG ASP A 47 14.637 -3.790 -0.583 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.551 -2.607 -0.190 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.399 -4.219 -1.476 1.00 0.00 O ATOM 0 H ASP A 47 12.000 -6.232 0.966 1.00 0.00 H new ATOM 0 HA ASP A 47 12.127 -3.464 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.010 -4.880 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.902 -5.793 -0.334 1.00 0.00 H new ATOM 747 N GLU A 48 11.812 -5.373 -2.233 1.00 0.00 N ATOM 748 CA GLU A 48 11.410 -5.312 -3.629 1.00 0.00 C ATOM 749 C GLU A 48 10.038 -4.652 -3.771 1.00 0.00 C ATOM 750 O GLU A 48 9.894 -3.658 -4.477 1.00 0.00 O ATOM 751 CB GLU A 48 11.408 -6.717 -4.237 1.00 0.00 C ATOM 752 CG GLU A 48 12.835 -7.268 -4.344 1.00 0.00 C ATOM 753 CD GLU A 48 12.831 -8.697 -4.880 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.165 -9.537 -4.234 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.481 -8.922 -5.923 1.00 0.00 O ATOM 0 H GLU A 48 12.076 -6.304 -1.909 1.00 0.00 H new ATOM 0 HA GLU A 48 12.130 -4.701 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.802 -7.383 -3.623 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.949 -6.689 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.426 -6.631 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.312 -7.245 -3.364 1.00 0.00 H new ATOM 762 N LEU A 49 9.017 -5.199 -3.114 1.00 0.00 N ATOM 763 CA LEU A 49 7.680 -4.695 -3.199 1.00 0.00 C ATOM 764 C LEU A 49 7.544 -3.248 -2.726 1.00 0.00 C ATOM 765 O LEU A 49 6.974 -2.433 -3.447 1.00 0.00 O ATOM 766 CB LEU A 49 6.776 -5.740 -2.537 1.00 0.00 C ATOM 767 CG LEU A 49 6.485 -5.587 -1.041 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.321 -4.630 -0.773 1.00 0.00 C ATOM 769 CD2 LEU A 49 6.112 -6.945 -0.433 1.00 0.00 C ATOM 0 H LEU A 49 9.113 -6.012 -2.506 1.00 0.00 H new ATOM 0 HA LEU A 49 7.351 -4.582 -4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.823 -5.741 -3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.227 -6.720 -2.692 1.00 0.00 H new ATOM 0 HG LEU A 49 7.392 -5.186 -0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.152 -4.554 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.560 -3.645 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.420 -5.009 -1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.907 -6.824 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.224 -7.335 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.939 -7.643 -0.566 1.00 0.00 H new ATOM 781 N PHE A 50 8.064 -2.885 -1.550 1.00 0.00 N ATOM 782 CA PHE A 50 7.954 -1.526 -1.063 1.00 0.00 C ATOM 783 C PHE A 50 8.750 -0.620 -1.991 1.00 0.00 C ATOM 784 O PHE A 50 8.329 0.502 -2.217 1.00 0.00 O ATOM 785 CB PHE A 50 8.488 -1.458 0.372 1.00 0.00 C ATOM 786 CG PHE A 50 8.862 -0.060 0.799 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.886 0.897 1.123 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.207 0.321 0.671 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.262 2.242 1.281 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.569 1.676 0.754 1.00 0.00 C ATOM 791 CZ PHE A 50 9.588 2.642 1.034 1.00 0.00 C ATOM 0 H PHE A 50 8.563 -3.519 -0.926 1.00 0.00 H new ATOM 0 HA PHE A 50 6.915 -1.198 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.733 -1.850 1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.362 -2.104 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.855 0.602 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.966 -0.430 0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.530 2.972 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.596 1.974 0.603 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.851 3.689 1.060 1.00 0.00 H new ATOM 801 N GLU A 51 9.877 -1.077 -2.542 1.00 0.00 N ATOM 802 CA GLU A 51 10.633 -0.227 -3.458 1.00 0.00 C ATOM 803 C GLU A 51 9.853 -0.033 -4.753 1.00 0.00 C ATOM 804 O GLU A 51 9.860 1.064 -5.304 1.00 0.00 O ATOM 805 CB GLU A 51 12.033 -0.781 -3.743 1.00 0.00 C ATOM 806 CG GLU A 51 12.992 -0.536 -2.569 1.00 0.00 C ATOM 807 CD GLU A 51 14.390 -1.073 -2.868 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.469 -2.149 -3.500 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.357 -0.387 -2.471 1.00 0.00 O ATOM 0 H GLU A 51 10.275 -2.001 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 51 10.770 0.740 -2.974 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.967 -1.851 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.433 -0.314 -4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.048 0.532 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.601 -1.016 -1.672 1.00 0.00 H new ATOM 816 N GLU A 52 9.169 -1.074 -5.238 1.00 0.00 N ATOM 817 CA GLU A 52 8.361 -0.947 -6.444 1.00 0.00 C ATOM 818 C GLU A 52 7.308 0.123 -6.170 1.00 0.00 C ATOM 819 O GLU A 52 7.053 1.016 -6.974 1.00 0.00 O ATOM 820 CB GLU A 52 7.701 -2.300 -6.764 1.00 0.00 C ATOM 821 CG GLU A 52 6.546 -2.182 -7.771 1.00 0.00 C ATOM 822 CD GLU A 52 5.916 -3.544 -8.050 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.309 -4.091 -7.104 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.052 -4.017 -9.198 1.00 0.00 O ATOM 0 H GLU A 52 9.161 -2.003 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 52 8.968 -0.662 -7.303 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.454 -2.980 -7.162 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.327 -2.743 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.789 -1.501 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.914 -1.751 -8.702 1.00 0.00 H new ATOM 831 N LEU A 53 6.687 -0.014 -5.004 1.00 0.00 N ATOM 832 CA LEU A 53 5.634 0.850 -4.529 1.00 0.00 C ATOM 833 C LEU A 53 6.092 2.284 -4.263 1.00 0.00 C ATOM 834 O LEU A 53 5.392 3.218 -4.638 1.00 0.00 O ATOM 835 CB LEU A 53 4.983 0.159 -3.325 1.00 0.00 C ATOM 836 CG LEU A 53 3.837 -0.705 -3.867 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.524 -1.863 -2.927 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.591 0.157 -4.102 1.00 0.00 C ATOM 0 H LEU A 53 6.918 -0.759 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 53 4.885 0.988 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.710 -0.455 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.608 0.896 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 53 4.153 -1.131 -4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.708 -2.456 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.408 -2.491 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.232 -1.472 -1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.784 -0.467 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.281 0.612 -3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.821 0.939 -4.825 1.00 0.00 H new ATOM 850 N ASP A 54 7.251 2.503 -3.641 1.00 0.00 N ATOM 851 CA ASP A 54 7.763 3.835 -3.359 1.00 0.00 C ATOM 852 C ASP A 54 8.423 4.329 -4.644 1.00 0.00 C ATOM 853 O ASP A 54 9.626 4.576 -4.684 1.00 0.00 O ATOM 854 CB ASP A 54 8.734 3.803 -2.165 1.00 0.00 C ATOM 855 CG ASP A 54 9.262 5.196 -1.795 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.828 6.190 -2.416 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.126 5.266 -0.892 1.00 0.00 O ATOM 0 H ASP A 54 7.862 1.752 -3.318 1.00 0.00 H new ATOM 0 HA ASP A 54 6.967 4.521 -3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.229 3.369 -1.302 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.575 3.151 -2.403 1.00 0.00 H new ATOM 862 N LYS A 55 7.629 4.477 -5.707 1.00 0.00 N ATOM 863 CA LYS A 55 8.112 4.888 -7.013 1.00 0.00 C ATOM 864 C LYS A 55 8.761 6.274 -6.938 1.00 0.00 C ATOM 865 O LYS A 55 9.667 6.582 -7.705 1.00 0.00 O ATOM 866 CB LYS A 55 6.951 4.799 -8.005 1.00 0.00 C ATOM 867 CG LYS A 55 7.408 4.940 -9.460 1.00 0.00 C ATOM 868 CD LYS A 55 6.239 4.671 -10.416 1.00 0.00 C ATOM 869 CE LYS A 55 5.949 3.170 -10.565 1.00 0.00 C ATOM 870 NZ LYS A 55 4.843 2.930 -11.507 1.00 0.00 N ATOM 0 H LYS A 55 6.623 4.311 -5.677 1.00 0.00 H new ATOM 0 HA LYS A 55 8.900 4.223 -7.367 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.442 3.843 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.224 5.579 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.801 5.943 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.220 4.241 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.347 5.178 -10.048 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.466 5.095 -11.394 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.845 2.657 -10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.699 2.747 -9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.671 1.907 -11.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.983 3.400 -11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.093 3.313 -12.441 1.00 0.00 H new ATOM 884 N ASN A 56 8.302 7.105 -5.999 1.00 0.00 N ATOM 885 CA ASN A 56 8.839 8.436 -5.772 1.00 0.00 C ATOM 886 C ASN A 56 10.201 8.368 -5.065 1.00 0.00 C ATOM 887 O ASN A 56 10.955 9.333 -5.100 1.00 0.00 O ATOM 888 CB ASN A 56 7.826 9.240 -4.951 1.00 0.00 C ATOM 889 CG ASN A 56 8.235 10.700 -4.791 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.593 11.373 -5.746 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.174 11.230 -3.580 1.00 0.00 N ATOM 0 H ASN A 56 7.536 6.863 -5.370 1.00 0.00 H new ATOM 0 HA ASN A 56 9.003 8.932 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.850 9.190 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.718 8.786 -3.966 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.427 12.208 -3.438 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.874 10.661 -2.789 1.00 0.00 H new ATOM 898 N GLY A 57 10.526 7.238 -4.421 1.00 0.00 N ATOM 899 CA GLY A 57 11.778 7.027 -3.714 1.00 0.00 C ATOM 900 C GLY A 57 11.974 8.080 -2.628 1.00 0.00 C ATOM 901 O GLY A 57 12.961 8.809 -2.655 1.00 0.00 O ATOM 0 H GLY A 57 9.904 6.431 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.785 6.033 -3.268 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.609 7.066 -4.418 1.00 0.00 H new ATOM 905 N ASP A 58 11.036 8.161 -1.675 1.00 0.00 N ATOM 906 CA ASP A 58 11.087 9.165 -0.609 1.00 0.00 C ATOM 907 C ASP A 58 11.189 8.568 0.790 1.00 0.00 C ATOM 908 O ASP A 58 11.487 9.297 1.732 1.00 0.00 O ATOM 909 CB ASP A 58 9.897 10.129 -0.715 1.00 0.00 C ATOM 910 CG ASP A 58 8.538 9.472 -0.483 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.325 8.963 0.639 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.722 9.519 -1.430 1.00 0.00 O ATOM 0 H ASP A 58 10.229 7.539 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 58 12.011 9.723 -0.760 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.028 10.932 0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.902 10.588 -1.704 1.00 0.00 H new ATOM 917 N GLY A 59 10.938 7.268 0.938 1.00 0.00 N ATOM 918 CA GLY A 59 10.965 6.597 2.229 1.00 0.00 C ATOM 919 C GLY A 59 9.612 5.951 2.502 1.00 0.00 C ATOM 920 O GLY A 59 9.547 4.958 3.227 1.00 0.00 O ATOM 0 H GLY A 59 10.709 6.651 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.749 5.840 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.202 7.312 3.016 1.00 0.00 H new ATOM 924 N GLU A 60 8.532 6.492 1.927 1.00 0.00 N ATOM 925 CA GLU A 60 7.201 5.952 2.069 1.00 0.00 C ATOM 926 C GLU A 60 6.498 5.889 0.709 1.00 0.00 C ATOM 927 O GLU A 60 6.957 6.452 -0.277 1.00 0.00 O ATOM 928 CB GLU A 60 6.384 6.851 2.996 1.00 0.00 C ATOM 929 CG GLU A 60 7.074 7.339 4.277 1.00 0.00 C ATOM 930 CD GLU A 60 7.717 8.712 4.082 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.939 9.688 3.965 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.966 8.759 4.061 1.00 0.00 O ATOM 0 H GLU A 60 8.573 7.328 1.345 1.00 0.00 H new ATOM 0 HA GLU A 60 7.279 4.947 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.067 7.725 2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.481 6.312 3.282 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.346 7.389 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.836 6.619 4.578 1.00 0.00 H new ATOM 939 N VAL A 61 5.355 5.216 0.699 1.00 0.00 N ATOM 940 CA VAL A 61 4.418 5.050 -0.398 1.00 0.00 C ATOM 941 C VAL A 61 3.294 6.053 -0.097 1.00 0.00 C ATOM 942 O VAL A 61 3.266 6.640 0.980 1.00 0.00 O ATOM 943 CB VAL A 61 3.902 3.588 -0.389 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.117 3.206 -1.649 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.060 2.594 -0.251 1.00 0.00 C ATOM 0 H VAL A 61 5.034 4.729 1.536 1.00 0.00 H new ATOM 0 HA VAL A 61 4.849 5.231 -1.383 1.00 0.00 H new ATOM 0 HB VAL A 61 3.232 3.536 0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.788 2.170 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.248 3.857 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.756 3.320 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.668 1.577 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.746 2.716 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.591 2.781 0.682 1.00 0.00 H new ATOM 955 N SER A 62 2.340 6.261 -0.999 1.00 0.00 N ATOM 956 CA SER A 62 1.185 7.124 -0.784 1.00 0.00 C ATOM 957 C SER A 62 0.078 6.552 -1.660 1.00 0.00 C ATOM 958 O SER A 62 0.380 5.707 -2.504 1.00 0.00 O ATOM 959 CB SER A 62 1.485 8.582 -1.136 1.00 0.00 C ATOM 960 OG SER A 62 1.762 8.691 -2.515 1.00 0.00 O ATOM 0 H SER A 62 2.349 5.824 -1.921 1.00 0.00 H new ATOM 0 HA SER A 62 0.896 7.140 0.267 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.634 9.212 -0.875 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.335 8.939 -0.555 1.00 0.00 H new ATOM 0 HG SER A 62 1.952 9.626 -2.738 1.00 0.00 H new ATOM 966 N PHE A 63 -1.175 6.984 -1.486 1.00 0.00 N ATOM 967 CA PHE A 63 -2.286 6.493 -2.297 1.00 0.00 C ATOM 968 C PHE A 63 -1.909 6.500 -3.779 1.00 0.00 C ATOM 969 O PHE A 63 -2.149 5.526 -4.490 1.00 0.00 O ATOM 970 CB PHE A 63 -3.571 7.257 -1.996 1.00 0.00 C ATOM 971 CG PHE A 63 -4.741 6.832 -2.863 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.915 7.371 -4.153 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.515 5.730 -2.464 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.882 6.826 -5.017 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.563 5.268 -3.281 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.774 5.848 -4.542 1.00 0.00 C ATOM 0 H PHE A 63 -1.443 7.676 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.489 5.456 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.834 7.113 -0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.393 8.323 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.306 8.202 -4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.305 5.236 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.939 7.158 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.204 4.469 -2.939 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.617 5.545 -5.144 1.00 0.00 H new ATOM 986 N GLU A 64 -1.287 7.601 -4.209 1.00 0.00 N ATOM 987 CA GLU A 64 -0.802 7.830 -5.558 1.00 0.00 C ATOM 988 C GLU A 64 -0.094 6.595 -6.120 1.00 0.00 C ATOM 989 O GLU A 64 -0.468 6.061 -7.159 1.00 0.00 O ATOM 990 CB GLU A 64 0.179 9.020 -5.522 1.00 0.00 C ATOM 991 CG GLU A 64 0.471 9.572 -6.924 1.00 0.00 C ATOM 992 CD GLU A 64 -0.768 10.185 -7.571 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.274 11.175 -6.998 1.00 0.00 O ATOM 994 OE2 GLU A 64 -1.194 9.646 -8.615 1.00 0.00 O ATOM 0 H GLU A 64 -1.103 8.391 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.650 8.045 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.237 9.813 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.112 8.705 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.256 10.326 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.850 8.770 -7.557 1.00 0.00 H new ATOM 1001 N GLU A 65 0.948 6.151 -5.417 1.00 0.00 N ATOM 1002 CA GLU A 65 1.782 5.040 -5.848 1.00 0.00 C ATOM 1003 C GLU A 65 1.085 3.724 -5.542 1.00 0.00 C ATOM 1004 O GLU A 65 1.206 2.759 -6.286 1.00 0.00 O ATOM 1005 CB GLU A 65 3.172 5.055 -5.191 1.00 0.00 C ATOM 1006 CG GLU A 65 3.667 6.392 -4.623 1.00 0.00 C ATOM 1007 CD GLU A 65 5.063 6.755 -5.112 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.147 7.272 -6.245 1.00 0.00 O ATOM 1009 OE2 GLU A 65 6.026 6.525 -4.348 1.00 0.00 O ATOM 0 H GLU A 65 1.235 6.558 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 65 1.930 5.147 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.171 4.324 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.898 4.712 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.971 7.182 -4.904 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.669 6.342 -3.534 1.00 0.00 H new ATOM 1016 N PHE A 66 0.349 3.691 -4.432 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.393 2.514 -3.992 1.00 0.00 C ATOM 1018 C PHE A 66 -1.298 1.973 -5.105 1.00 0.00 C ATOM 1019 O PHE A 66 -1.550 0.770 -5.150 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.128 2.837 -2.690 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.265 1.917 -2.300 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -2.036 0.548 -2.078 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.564 2.438 -2.158 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -3.113 -0.301 -1.768 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.622 1.604 -1.767 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.401 0.229 -1.585 1.00 0.00 C ATOM 0 H PHE A 66 0.251 4.491 -3.807 1.00 0.00 H new ATOM 0 HA PHE A 66 0.297 1.698 -3.776 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.399 2.838 -1.880 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.522 3.851 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.035 0.149 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.748 3.485 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.950 -1.364 -1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.606 2.019 -1.606 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.219 -0.419 -1.305 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.759 2.823 -6.033 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.549 2.349 -7.165 1.00 0.00 C ATOM 1038 C GLN A 67 -1.812 1.244 -7.939 1.00 0.00 C ATOM 1039 O GLN A 67 -2.442 0.356 -8.510 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.079 3.498 -8.043 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.772 4.605 -7.244 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.760 4.009 -6.250 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.862 3.613 -6.603 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.380 3.925 -4.988 1.00 0.00 N ATOM 0 H GLN A 67 -1.598 3.830 -6.019 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.450 1.880 -6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.249 3.930 -8.603 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.780 3.094 -8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.028 5.199 -6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.293 5.280 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.458 4.260 -4.710 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.009 3.525 -4.292 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.474 1.254 -7.926 1.00 0.00 N ATOM 1054 CA VAL A 68 0.324 0.200 -8.534 1.00 0.00 C ATOM 1055 C VAL A 68 -0.051 -1.124 -7.861 1.00 0.00 C ATOM 1056 O VAL A 68 -0.211 -2.132 -8.542 1.00 0.00 O ATOM 1057 CB VAL A 68 1.829 0.508 -8.416 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.686 -0.644 -8.959 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.185 1.782 -9.196 1.00 0.00 C ATOM 0 H VAL A 68 0.078 1.994 -7.493 1.00 0.00 H new ATOM 0 HA VAL A 68 0.114 0.132 -9.601 1.00 0.00 H new ATOM 0 HB VAL A 68 2.040 0.644 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.741 -0.391 -8.859 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.476 -1.552 -8.394 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.450 -0.809 -10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.252 1.981 -9.100 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.935 1.646 -10.248 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.621 2.624 -8.795 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.229 -1.146 -6.534 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.632 -2.372 -5.861 1.00 0.00 C ATOM 1071 C LEU A 69 -2.096 -2.649 -6.178 1.00 0.00 C ATOM 1072 O LEU A 69 -2.441 -3.795 -6.436 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.385 -2.367 -4.355 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.624 -3.796 -3.824 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.651 -4.387 -3.228 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.792 -3.813 -2.842 1.00 0.00 C ATOM 0 H LEU A 69 -0.101 -0.341 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.001 -3.174 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.634 -2.046 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.054 -1.661 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.897 -4.437 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.449 -5.394 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.426 -4.427 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.990 -3.762 -2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.946 -4.829 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.570 -3.156 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.695 -3.467 -3.345 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.960 -1.627 -6.185 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.362 -1.829 -6.561 1.00 0.00 C ATOM 1090 C VAL A 70 -4.424 -2.573 -7.902 1.00 0.00 C ATOM 1091 O VAL A 70 -5.286 -3.420 -8.111 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.143 -0.505 -6.591 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.590 -0.745 -7.040 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.135 0.159 -5.206 1.00 0.00 C ATOM 0 H VAL A 70 -2.718 -0.667 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.849 -2.442 -5.802 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.655 0.159 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.128 0.203 -7.055 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.593 -1.181 -8.039 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.078 -1.428 -6.345 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.693 1.095 -5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.599 -0.508 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.107 0.363 -4.906 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.492 -2.282 -8.810 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.386 -3.002 -10.064 1.00 0.00 C ATOM 1106 C LYS A 71 -2.714 -4.370 -9.836 1.00 0.00 C ATOM 1107 O LYS A 71 -3.152 -5.377 -10.394 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.612 -2.132 -11.068 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.439 -2.755 -12.461 1.00 0.00 C ATOM 1110 CD LYS A 71 -3.781 -3.087 -13.124 1.00 0.00 C ATOM 1111 CE LYS A 71 -3.572 -3.429 -14.603 1.00 0.00 C ATOM 1112 NZ LYS A 71 -4.838 -3.817 -15.249 1.00 0.00 N ATOM 0 H LYS A 71 -2.797 -1.545 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.376 -3.202 -10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.128 -1.178 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.626 -1.917 -10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.883 -2.066 -13.097 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.843 -3.664 -12.378 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.250 -3.927 -12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.460 -2.239 -13.032 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.146 -2.569 -15.120 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.852 -4.243 -14.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.663 -4.042 -16.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.231 -4.652 -14.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.516 -3.031 -15.185 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.645 -4.433 -9.031 1.00 0.00 N ATOM 1127 CA LYS A 72 -0.854 -5.640 -8.822 1.00 0.00 C ATOM 1128 C LYS A 72 -1.510 -6.739 -8.011 1.00 0.00 C ATOM 1129 O LYS A 72 -1.107 -7.896 -8.116 1.00 0.00 O ATOM 1130 CB LYS A 72 0.604 -5.295 -8.553 1.00 0.00 C ATOM 1131 CG LYS A 72 1.586 -6.470 -8.468 1.00 0.00 C ATOM 1132 CD LYS A 72 2.907 -6.046 -9.123 1.00 0.00 C ATOM 1133 CE LYS A 72 4.056 -7.002 -8.790 1.00 0.00 C ATOM 1134 NZ LYS A 72 4.482 -6.866 -7.387 1.00 0.00 N ATOM 0 H LYS A 72 -1.305 -3.631 -8.501 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.825 -6.186 -9.765 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.945 -4.623 -9.340 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.655 -4.741 -7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.752 -6.751 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.176 -7.344 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.776 -6.002 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.167 -5.040 -8.793 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.742 -8.029 -8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.901 -6.801 -9.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.335 -7.438 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.691 -5.868 -7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.721 -7.195 -6.760 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.555 -6.405 -7.263 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.326 -7.441 -6.587 1.00 0.00 C ATOM 1150 C ILE A 73 -3.891 -8.372 -7.676 1.00 0.00 C ATOM 1151 O ILE A 73 -4.017 -9.575 -7.469 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.431 -6.883 -5.671 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.260 -5.784 -6.341 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -3.835 -6.328 -4.371 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.688 -5.722 -5.802 1.00 0.00 C ATOM 0 H ILE A 73 -2.882 -5.451 -7.111 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.673 -7.992 -5.910 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.092 -7.722 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.774 -4.821 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.288 -5.958 -7.417 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.635 -5.940 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.310 -7.124 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.135 -5.525 -4.605 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.234 -4.927 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.186 -6.675 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.664 -5.520 -4.731 1.00 0.00 H new ATOM 1167 N SER A 74 -4.192 -7.821 -8.861 1.00 0.00 N ATOM 1168 CA SER A 74 -4.616 -8.588 -10.018 1.00 0.00 C ATOM 1169 C SER A 74 -3.347 -8.995 -10.774 1.00 0.00 C ATOM 1170 O SER A 74 -3.182 -10.146 -11.163 1.00 0.00 O ATOM 1171 CB SER A 74 -5.552 -7.741 -10.886 1.00 0.00 C ATOM 1172 OG SER A 74 -6.560 -7.165 -10.080 1.00 0.00 O ATOM 0 H SER A 74 -4.144 -6.817 -9.034 1.00 0.00 H new ATOM 0 HA SER A 74 -5.173 -9.480 -9.731 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.986 -6.958 -11.391 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.003 -8.360 -11.662 1.00 0.00 H new ATOM 0 HG SER A 74 -7.155 -6.623 -10.638 1.00 0.00 H new ATOM 1178 N GLN A 75 -2.431 -8.040 -10.973 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.157 -8.274 -11.645 1.00 0.00 C ATOM 1180 C GLN A 75 -0.268 -9.151 -10.759 1.00 0.00 C ATOM 1181 O GLN A 75 0.953 -9.164 -10.914 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.489 -6.931 -12.036 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.053 -6.915 -13.502 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.228 -6.877 -14.485 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.472 -6.884 -14.015 1.00 0.00 O flip ATOM 1186 NE2 GLN A 75 -1.035 -6.835 -15.690 1.00 0.00 N flip ATOM 0 H GLN A 75 -2.559 -7.075 -10.667 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.321 -8.812 -12.578 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.186 -6.113 -11.856 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.377 -6.757 -11.398 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.584 -6.047 -13.675 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.551 -7.799 -13.703 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.082 -6.829 -16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.827 -6.805 -16.333 1.00 0.00 H new