USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 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 71 LYS NZ :NH3+ -110:sc= 0.253 (180deg=-0.0147) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.16 K(o=0.41,f=-0.55) USER MOD Set 2.1: A 21 ASN : amide:sc= 0.99 K(o=3.2,f=1.5) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.19 K(o=3.2,f=1.5) USER MOD Set 3.1: A 13 TYR OH : rot 145:sc= 0.709 USER MOD Set 3.2: A 34 THR OG1 : rot 68:sc= 2.12 USER MOD Single : A 7 LYS NZ :NH3+ -171:sc=-0.00468 (180deg=-0.0884) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 0.652 (180deg=0.333) USER MOD Single : A 24 SER OG : rot -143:sc= 1.94 USER MOD Single : A 25 LYS NZ :NH3+ 152:sc= 0.862 (180deg=0.43) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.21) USER MOD Single : A 45 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.366 (180deg=0.355) USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.17) USER MOD Single : A 62 SER OG : rot 180:sc=-0.00369 USER MOD Single : A 67 GLN : amide:sc= -1.89 K(o=-1.9,f=-2.7) USER MOD Single : A 72 LYS NZ :NH3+ 165:sc= -0.0207 (180deg=-0.197) USER MOD Single : A 74 SER OG : rot 87:sc= 0.942 USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -11.516 0.383 -5.297 1.00 0.00 N ATOM 37 CA PRO A 3 -10.791 1.642 -5.159 1.00 0.00 C ATOM 38 C PRO A 3 -11.153 2.483 -3.930 1.00 0.00 C ATOM 39 O PRO A 3 -10.270 2.830 -3.156 1.00 0.00 O ATOM 40 CB PRO A 3 -11.002 2.384 -6.480 1.00 0.00 C ATOM 41 CG PRO A 3 -11.057 1.227 -7.476 1.00 0.00 C ATOM 42 CD PRO A 3 -11.827 0.154 -6.702 1.00 0.00 C ATOM 0 HA PRO A 3 -9.738 1.435 -4.970 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.922 2.968 -6.479 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.186 3.074 -6.698 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.569 1.509 -8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.060 0.887 -7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.899 0.233 -6.884 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.524 -0.846 -7.012 1.00 0.00 H new ATOM 50 N GLU A 4 -12.432 2.813 -3.732 1.00 0.00 N ATOM 51 CA GLU A 4 -12.860 3.624 -2.594 1.00 0.00 C ATOM 52 C GLU A 4 -12.475 2.966 -1.262 1.00 0.00 C ATOM 53 O GLU A 4 -11.982 3.614 -0.342 1.00 0.00 O ATOM 54 CB GLU A 4 -14.373 3.884 -2.689 1.00 0.00 C ATOM 55 CG GLU A 4 -14.868 4.894 -1.643 1.00 0.00 C ATOM 56 CD GLU A 4 -14.230 6.270 -1.819 1.00 0.00 C ATOM 57 OE1 GLU A 4 -14.633 6.960 -2.780 1.00 0.00 O ATOM 58 OE2 GLU A 4 -13.341 6.598 -1.004 1.00 0.00 O ATOM 0 H GLU A 4 -13.192 2.528 -4.350 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.342 4.583 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.612 4.253 -3.686 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.908 2.943 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.952 4.987 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.646 4.518 -0.644 1.00 0.00 H new ATOM 65 N GLU A 5 -12.683 1.655 -1.151 1.00 0.00 N ATOM 66 CA GLU A 5 -12.345 0.935 0.066 1.00 0.00 C ATOM 67 C GLU A 5 -10.833 0.961 0.248 1.00 0.00 C ATOM 68 O GLU A 5 -10.337 1.137 1.354 1.00 0.00 O ATOM 69 CB GLU A 5 -12.836 -0.515 0.001 1.00 0.00 C ATOM 70 CG GLU A 5 -14.324 -0.582 -0.342 1.00 0.00 C ATOM 71 CD GLU A 5 -14.821 -2.022 -0.371 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.034 -2.573 0.729 1.00 0.00 O ATOM 73 OE2 GLU A 5 -14.955 -2.549 -1.497 1.00 0.00 O ATOM 0 H GLU A 5 -13.083 1.075 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.834 1.418 0.912 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.263 -1.062 -0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.659 -1.005 0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.895 -0.013 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.497 -0.116 -1.312 1.00 0.00 H new ATOM 80 N LEU A 6 -10.101 0.795 -0.852 1.00 0.00 N ATOM 81 CA LEU A 6 -8.646 0.754 -0.838 1.00 0.00 C ATOM 82 C LEU A 6 -8.112 2.132 -0.455 1.00 0.00 C ATOM 83 O LEU A 6 -7.092 2.239 0.215 1.00 0.00 O ATOM 84 CB LEU A 6 -8.112 0.207 -2.167 1.00 0.00 C ATOM 85 CG LEU A 6 -8.464 -1.286 -2.331 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.343 -1.700 -3.798 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.569 -2.205 -1.490 1.00 0.00 C ATOM 0 H LEU A 6 -10.506 0.685 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.281 0.060 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.534 0.777 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.031 0.336 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.490 -1.399 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.594 -2.756 -3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.028 -1.104 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.321 -1.535 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.864 -3.243 -1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.529 -2.074 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.677 -1.952 -0.435 1.00 0.00 H new ATOM 99 N LYS A 7 -8.810 3.192 -0.857 1.00 0.00 N ATOM 100 CA LYS A 7 -8.503 4.562 -0.492 1.00 0.00 C ATOM 101 C LYS A 7 -8.701 4.726 1.014 1.00 0.00 C ATOM 102 O LYS A 7 -7.811 5.215 1.708 1.00 0.00 O ATOM 103 CB LYS A 7 -9.410 5.488 -1.312 1.00 0.00 C ATOM 104 CG LYS A 7 -9.210 6.991 -1.055 1.00 0.00 C ATOM 105 CD LYS A 7 -7.790 7.499 -1.337 1.00 0.00 C ATOM 106 CE LYS A 7 -7.636 8.983 -0.982 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.507 9.842 -1.802 1.00 0.00 N ATOM 0 H LYS A 7 -9.627 3.113 -1.463 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.468 4.821 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.243 5.291 -2.371 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.449 5.234 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.912 7.550 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.460 7.206 -0.016 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.073 6.912 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.553 7.351 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.872 9.129 0.072 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.597 9.283 -1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.263 10.840 -1.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.373 9.613 -2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.500 9.681 -1.539 1.00 0.00 H new ATOM 121 N GLY A 8 -9.863 4.302 1.523 1.00 0.00 N ATOM 122 CA GLY A 8 -10.171 4.377 2.943 1.00 0.00 C ATOM 123 C GLY A 8 -9.095 3.643 3.740 1.00 0.00 C ATOM 124 O GLY A 8 -8.525 4.183 4.682 1.00 0.00 O ATOM 0 H GLY A 8 -10.611 3.899 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.225 5.419 3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.148 3.934 3.137 1.00 0.00 H new ATOM 128 N ILE A 9 -8.811 2.406 3.340 1.00 0.00 N ATOM 129 CA ILE A 9 -7.805 1.539 3.932 1.00 0.00 C ATOM 130 C ILE A 9 -6.435 2.227 3.893 1.00 0.00 C ATOM 131 O ILE A 9 -5.769 2.332 4.919 1.00 0.00 O ATOM 132 CB ILE A 9 -7.824 0.209 3.162 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.106 -0.593 3.463 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.562 -0.628 3.373 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.008 -1.472 4.711 1.00 0.00 C ATOM 0 H ILE A 9 -9.299 1.965 2.560 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.018 1.337 4.982 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.832 0.466 2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.937 0.101 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.339 -1.223 2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.639 -1.553 2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.692 -0.065 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.454 -0.863 4.432 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.948 -2.004 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.199 -2.192 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.807 -0.847 5.581 1.00 0.00 H new ATOM 147 N PHE A 10 -6.009 2.697 2.718 1.00 0.00 N ATOM 148 CA PHE A 10 -4.738 3.391 2.547 1.00 0.00 C ATOM 149 C PHE A 10 -4.650 4.509 3.580 1.00 0.00 C ATOM 150 O PHE A 10 -3.679 4.583 4.322 1.00 0.00 O ATOM 151 CB PHE A 10 -4.617 3.966 1.127 1.00 0.00 C ATOM 152 CG PHE A 10 -3.426 4.887 0.926 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.501 6.213 1.396 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.175 4.373 0.539 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.342 6.836 1.877 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.015 5.132 0.769 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.089 6.301 1.547 1.00 0.00 C ATOM 0 H PHE A 10 -6.543 2.604 1.854 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.918 2.687 2.691 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.547 3.141 0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.529 4.514 0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.442 6.743 1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.107 3.403 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.413 7.719 2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.070 4.819 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.185 6.784 1.888 1.00 0.00 H new ATOM 167 N GLU A 11 -5.670 5.371 3.623 1.00 0.00 N ATOM 168 CA GLU A 11 -5.715 6.485 4.553 1.00 0.00 C ATOM 169 C GLU A 11 -5.613 5.970 5.991 1.00 0.00 C ATOM 170 O GLU A 11 -4.819 6.476 6.777 1.00 0.00 O ATOM 171 CB GLU A 11 -6.991 7.300 4.305 1.00 0.00 C ATOM 172 CG GLU A 11 -6.968 8.635 5.059 1.00 0.00 C ATOM 173 CD GLU A 11 -8.202 9.468 4.730 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.251 9.981 3.591 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.078 9.566 5.616 1.00 0.00 O ATOM 0 H GLU A 11 -6.484 5.310 3.011 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.865 7.148 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.101 7.487 3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.859 6.720 4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.925 8.450 6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.068 9.191 4.795 1.00 0.00 H new ATOM 182 N LYS A 12 -6.413 4.957 6.332 1.00 0.00 N ATOM 183 CA LYS A 12 -6.433 4.353 7.654 1.00 0.00 C ATOM 184 C LYS A 12 -5.022 3.936 8.068 1.00 0.00 C ATOM 185 O LYS A 12 -4.565 4.325 9.138 1.00 0.00 O ATOM 186 CB LYS A 12 -7.403 3.162 7.683 1.00 0.00 C ATOM 187 CG LYS A 12 -7.634 2.651 9.113 1.00 0.00 C ATOM 188 CD LYS A 12 -8.488 1.376 9.145 1.00 0.00 C ATOM 189 CE LYS A 12 -7.714 0.156 8.624 1.00 0.00 C ATOM 190 NZ LYS A 12 -8.488 -1.088 8.787 1.00 0.00 N ATOM 0 H LYS A 12 -7.074 4.531 5.682 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.788 5.089 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.356 3.458 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.006 2.354 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.672 2.453 9.586 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.124 3.428 9.700 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.820 1.187 10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.383 1.523 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.473 0.300 7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.768 0.069 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.935 -1.891 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.696 -1.238 9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.379 -1.014 8.256 1.00 0.00 H new ATOM 204 N TYR A 13 -4.323 3.149 7.244 1.00 0.00 N ATOM 205 CA TYR A 13 -2.981 2.722 7.601 1.00 0.00 C ATOM 206 C TYR A 13 -2.032 3.918 7.602 1.00 0.00 C ATOM 207 O TYR A 13 -1.306 4.114 8.570 1.00 0.00 O ATOM 208 CB TYR A 13 -2.528 1.542 6.737 1.00 0.00 C ATOM 209 CG TYR A 13 -3.095 0.223 7.226 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.385 -0.164 6.822 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.371 -0.597 8.118 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.958 -1.338 7.322 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.007 -1.696 8.724 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.301 -2.066 8.324 1.00 0.00 C ATOM 215 OH TYR A 13 -4.933 -3.122 8.900 1.00 0.00 O ATOM 0 H TYR A 13 -4.661 2.805 6.345 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.973 2.336 8.620 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.838 1.709 5.706 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.439 1.490 6.738 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.936 0.448 6.123 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.335 -0.382 8.334 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.906 -1.683 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.500 -2.255 9.497 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.278 -3.818 9.114 1.00 0.00 H new ATOM 225 N ALA A 14 -2.034 4.749 6.558 1.00 0.00 N ATOM 226 CA ALA A 14 -1.162 5.919 6.520 1.00 0.00 C ATOM 227 C ALA A 14 -1.327 6.799 7.769 1.00 0.00 C ATOM 228 O ALA A 14 -0.371 7.391 8.261 1.00 0.00 O ATOM 229 CB ALA A 14 -1.451 6.703 5.244 1.00 0.00 C ATOM 0 H ALA A 14 -2.625 4.633 5.735 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.124 5.588 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.806 7.581 5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.260 6.071 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.494 7.019 5.239 1.00 0.00 H new ATOM 235 N ALA A 15 -2.547 6.890 8.300 1.00 0.00 N ATOM 236 CA ALA A 15 -2.851 7.688 9.477 1.00 0.00 C ATOM 237 C ALA A 15 -2.176 7.174 10.752 1.00 0.00 C ATOM 238 O ALA A 15 -2.081 7.937 11.710 1.00 0.00 O ATOM 239 CB ALA A 15 -4.367 7.790 9.663 1.00 0.00 C ATOM 0 H ALA A 15 -3.358 6.404 7.917 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.437 8.681 9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.586 8.389 10.547 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.810 8.262 8.786 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.786 6.792 9.789 1.00 0.00 H new ATOM 245 N LYS A 16 -1.710 5.918 10.807 1.00 0.00 N ATOM 246 CA LYS A 16 -1.064 5.406 12.010 1.00 0.00 C ATOM 247 C LYS A 16 0.192 6.226 12.319 1.00 0.00 C ATOM 248 O LYS A 16 0.349 6.725 13.431 1.00 0.00 O ATOM 249 CB LYS A 16 -0.719 3.916 11.856 1.00 0.00 C ATOM 250 CG LYS A 16 -1.311 3.030 12.957 1.00 0.00 C ATOM 251 CD LYS A 16 -2.835 2.850 12.873 1.00 0.00 C ATOM 252 CE LYS A 16 -3.313 2.310 11.520 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.587 1.095 11.105 1.00 0.00 N ATOM 0 H LYS A 16 -1.770 5.250 10.039 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.758 5.502 12.845 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.079 3.567 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.365 3.801 11.853 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.838 2.049 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.061 3.460 13.927 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.157 2.169 13.661 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.317 3.809 13.064 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.379 2.090 11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.187 3.081 10.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.221 0.484 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.768 1.362 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.259 0.582 11.948 1.00 0.00 H new ATOM 267 N GLU A 17 1.086 6.357 11.337 1.00 0.00 N ATOM 268 CA GLU A 17 2.329 7.102 11.450 1.00 0.00 C ATOM 269 C GLU A 17 2.935 7.261 10.059 1.00 0.00 C ATOM 270 O GLU A 17 2.588 6.523 9.140 1.00 0.00 O ATOM 271 CB GLU A 17 3.305 6.429 12.437 1.00 0.00 C ATOM 272 CG GLU A 17 3.716 4.990 12.069 1.00 0.00 C ATOM 273 CD GLU A 17 4.754 4.901 10.949 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.596 5.821 10.860 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.708 3.898 10.204 1.00 0.00 O ATOM 0 H GLU A 17 0.956 5.934 10.418 1.00 0.00 H new ATOM 0 HA GLU A 17 2.124 8.091 11.860 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.205 7.040 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.847 6.418 13.426 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.114 4.499 12.957 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.827 4.435 11.770 1.00 0.00 H new ATOM 282 N GLY A 18 3.853 8.215 9.918 1.00 0.00 N ATOM 283 CA GLY A 18 4.538 8.481 8.664 1.00 0.00 C ATOM 284 C GLY A 18 3.709 9.336 7.705 1.00 0.00 C ATOM 285 O GLY A 18 3.880 9.209 6.501 1.00 0.00 O ATOM 0 H GLY A 18 4.142 8.828 10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.481 8.986 8.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.782 7.535 8.181 1.00 0.00 H new ATOM 289 N ASP A 19 2.850 10.211 8.247 1.00 0.00 N ATOM 290 CA ASP A 19 1.979 11.156 7.545 1.00 0.00 C ATOM 291 C ASP A 19 0.758 10.475 6.898 1.00 0.00 C ATOM 292 O ASP A 19 0.929 9.501 6.175 1.00 0.00 O ATOM 293 CB ASP A 19 2.773 11.986 6.524 1.00 0.00 C ATOM 294 CG ASP A 19 1.946 13.142 5.976 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.998 12.850 5.214 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.257 14.293 6.346 1.00 0.00 O ATOM 0 H ASP A 19 2.740 10.279 9.259 1.00 0.00 H new ATOM 0 HA ASP A 19 1.582 11.837 8.298 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.676 12.375 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.092 11.345 5.702 1.00 0.00 H new ATOM 301 N PRO A 20 -0.477 10.972 7.114 1.00 0.00 N ATOM 302 CA PRO A 20 -1.692 10.375 6.563 1.00 0.00 C ATOM 303 C PRO A 20 -1.717 10.226 5.037 1.00 0.00 C ATOM 304 O PRO A 20 -2.528 9.465 4.520 1.00 0.00 O ATOM 305 CB PRO A 20 -2.861 11.220 7.081 1.00 0.00 C ATOM 306 CG PRO A 20 -2.211 12.556 7.434 1.00 0.00 C ATOM 307 CD PRO A 20 -0.821 12.140 7.911 1.00 0.00 C ATOM 0 HA PRO A 20 -1.755 9.340 6.899 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.636 11.339 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.333 10.762 7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.161 13.222 6.572 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.765 13.082 8.211 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.098 12.943 7.765 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.824 11.903 8.975 1.00 0.00 H new ATOM 315 N ASN A 21 -0.855 10.927 4.296 1.00 0.00 N ATOM 316 CA ASN A 21 -0.785 10.807 2.851 1.00 0.00 C ATOM 317 C ASN A 21 0.189 9.697 2.435 1.00 0.00 C ATOM 318 O ASN A 21 0.162 9.276 1.279 1.00 0.00 O ATOM 319 CB ASN A 21 -0.358 12.163 2.282 1.00 0.00 C ATOM 320 CG ASN A 21 -0.126 12.099 0.780 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.057 12.059 -0.012 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.127 12.090 0.359 1.00 0.00 N ATOM 0 H ASN A 21 -0.189 11.592 4.688 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.761 10.531 2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.125 12.906 2.500 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.555 12.493 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.329 12.049 -0.640 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.892 12.124 1.033 1.00 0.00 H new ATOM 329 N GLN A 22 1.048 9.215 3.345 1.00 0.00 N ATOM 330 CA GLN A 22 2.061 8.214 3.042 1.00 0.00 C ATOM 331 C GLN A 22 1.987 6.931 3.885 1.00 0.00 C ATOM 332 O GLN A 22 1.623 6.938 5.052 1.00 0.00 O ATOM 333 CB GLN A 22 3.458 8.815 3.233 1.00 0.00 C ATOM 334 CG GLN A 22 4.015 9.679 2.095 1.00 0.00 C ATOM 335 CD GLN A 22 4.111 11.137 2.523 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.275 11.959 2.170 1.00 0.00 O ATOM 337 NE2 GLN A 22 5.124 11.489 3.299 1.00 0.00 N ATOM 0 H GLN A 22 1.053 9.517 4.319 1.00 0.00 H new ATOM 0 HA GLN A 22 1.865 7.927 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.444 9.420 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.156 7.996 3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.000 9.315 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.372 9.594 1.219 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.813 10.793 3.585 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.216 12.456 3.611 1.00 0.00 H new ATOM 346 N LEU A 23 2.377 5.816 3.267 1.00 0.00 N ATOM 347 CA LEU A 23 2.480 4.492 3.868 1.00 0.00 C ATOM 348 C LEU A 23 3.953 4.151 4.080 1.00 0.00 C ATOM 349 O LEU A 23 4.641 3.830 3.118 1.00 0.00 O ATOM 350 CB LEU A 23 1.923 3.459 2.886 1.00 0.00 C ATOM 351 CG LEU A 23 0.429 3.189 3.013 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.030 2.234 1.879 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.024 2.552 4.343 1.00 0.00 C ATOM 0 H LEU A 23 2.643 5.815 2.282 1.00 0.00 H new ATOM 0 HA LEU A 23 1.934 4.482 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.131 3.796 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.460 2.521 3.026 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.080 4.151 2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.037 2.020 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.251 2.698 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.592 1.305 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.054 2.391 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.535 1.596 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.302 3.214 5.163 1.00 0.00 H new ATOM 365 N SER A 24 4.468 4.195 5.306 1.00 0.00 N ATOM 366 CA SER A 24 5.870 3.842 5.535 1.00 0.00 C ATOM 367 C SER A 24 6.091 2.376 5.151 1.00 0.00 C ATOM 368 O SER A 24 5.128 1.626 5.026 1.00 0.00 O ATOM 369 CB SER A 24 6.268 4.102 6.994 1.00 0.00 C ATOM 370 OG SER A 24 5.728 3.103 7.832 1.00 0.00 O ATOM 0 H SER A 24 3.950 4.465 6.142 1.00 0.00 H new ATOM 0 HA SER A 24 6.506 4.470 4.911 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.354 4.116 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.909 5.083 7.307 1.00 0.00 H new ATOM 0 HG SER A 24 5.452 3.504 8.683 1.00 0.00 H new ATOM 376 N LYS A 25 7.337 1.938 4.970 1.00 0.00 N ATOM 377 CA LYS A 25 7.634 0.537 4.677 1.00 0.00 C ATOM 378 C LYS A 25 6.958 -0.354 5.720 1.00 0.00 C ATOM 379 O LYS A 25 6.251 -1.313 5.417 1.00 0.00 O ATOM 380 CB LYS A 25 9.162 0.370 4.615 1.00 0.00 C ATOM 381 CG LYS A 25 9.648 -1.056 4.918 1.00 0.00 C ATOM 382 CD LYS A 25 11.174 -1.203 4.849 1.00 0.00 C ATOM 383 CE LYS A 25 11.712 -1.040 3.423 1.00 0.00 C ATOM 384 NZ LYS A 25 13.130 -1.426 3.335 1.00 0.00 N ATOM 0 H LYS A 25 8.161 2.538 5.022 1.00 0.00 H new ATOM 0 HA LYS A 25 7.234 0.230 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.509 0.658 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.621 1.058 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.306 -1.346 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.191 -1.747 4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.638 -0.459 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.460 -2.182 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.124 -1.652 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.595 -0.004 3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.339 -1.762 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.728 -0.603 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.326 -2.186 4.017 1.00 0.00 H new ATOM 398 N GLU A 26 7.184 -0.003 6.974 1.00 0.00 N ATOM 399 CA GLU A 26 6.628 -0.662 8.120 1.00 0.00 C ATOM 400 C GLU A 26 5.100 -0.606 8.065 1.00 0.00 C ATOM 401 O GLU A 26 4.436 -1.613 8.287 1.00 0.00 O ATOM 402 CB GLU A 26 7.209 0.049 9.337 1.00 0.00 C ATOM 403 CG GLU A 26 8.685 -0.324 9.548 1.00 0.00 C ATOM 404 CD GLU A 26 9.655 0.325 8.557 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.315 1.416 8.048 1.00 0.00 O ATOM 406 OE2 GLU A 26 10.709 -0.298 8.306 1.00 0.00 O ATOM 0 H GLU A 26 7.786 0.783 7.221 1.00 0.00 H new ATOM 0 HA GLU A 26 6.881 -1.721 8.160 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.119 1.128 9.208 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.634 -0.215 10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.976 -0.041 10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.786 -1.407 9.478 1.00 0.00 H new ATOM 413 N GLU A 27 4.526 0.557 7.758 1.00 0.00 N ATOM 414 CA GLU A 27 3.083 0.694 7.667 1.00 0.00 C ATOM 415 C GLU A 27 2.526 -0.240 6.587 1.00 0.00 C ATOM 416 O GLU A 27 1.514 -0.912 6.797 1.00 0.00 O ATOM 417 CB GLU A 27 2.712 2.161 7.420 1.00 0.00 C ATOM 418 CG GLU A 27 1.247 2.452 7.740 1.00 0.00 C ATOM 419 CD GLU A 27 0.898 2.194 9.204 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.699 2.615 10.066 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.153 1.557 9.436 1.00 0.00 O ATOM 0 H GLU A 27 5.044 1.415 7.569 1.00 0.00 H new ATOM 0 HA GLU A 27 2.627 0.396 8.611 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.349 2.802 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.911 2.413 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.026 3.491 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.612 1.834 7.106 1.00 0.00 H new ATOM 428 N LEU A 28 3.195 -0.299 5.430 1.00 0.00 N ATOM 429 CA LEU A 28 2.798 -1.171 4.346 1.00 0.00 C ATOM 430 C LEU A 28 2.756 -2.605 4.862 1.00 0.00 C ATOM 431 O LEU A 28 1.821 -3.333 4.543 1.00 0.00 O ATOM 432 CB LEU A 28 3.781 -1.035 3.175 1.00 0.00 C ATOM 433 CG LEU A 28 3.347 -1.818 1.925 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.128 -1.190 1.240 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.513 -1.890 0.936 1.00 0.00 C ATOM 0 H LEU A 28 4.024 0.260 5.230 1.00 0.00 H new ATOM 0 HA LEU A 28 1.808 -0.893 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.885 0.019 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.764 -1.385 3.492 1.00 0.00 H new ATOM 0 HG LEU A 28 3.061 -2.819 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.860 -1.779 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.289 -1.172 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.367 -0.172 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.205 -2.445 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.808 -0.881 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.357 -2.395 1.405 1.00 0.00 H new ATOM 447 N LYS A 29 3.747 -3.014 5.663 1.00 0.00 N ATOM 448 CA LYS A 29 3.778 -4.374 6.190 1.00 0.00 C ATOM 449 C LYS A 29 2.443 -4.721 6.853 1.00 0.00 C ATOM 450 O LYS A 29 1.727 -5.603 6.386 1.00 0.00 O ATOM 451 CB LYS A 29 4.949 -4.564 7.161 1.00 0.00 C ATOM 452 CG LYS A 29 5.036 -5.999 7.690 1.00 0.00 C ATOM 453 CD LYS A 29 5.632 -6.923 6.624 1.00 0.00 C ATOM 454 CE LYS A 29 5.693 -8.376 7.098 1.00 0.00 C ATOM 455 NZ LYS A 29 6.420 -9.222 6.136 1.00 0.00 N ATOM 0 H LYS A 29 4.528 -2.426 5.955 1.00 0.00 H new ATOM 0 HA LYS A 29 3.931 -5.061 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.881 -4.307 6.658 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.839 -3.876 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.651 -6.026 8.589 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.044 -6.351 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.033 -6.862 5.715 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.635 -6.582 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.183 -8.423 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.682 -8.760 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.445 -10.202 6.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.937 -9.194 5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.392 -8.868 6.028 1.00 0.00 H new ATOM 469 N LEU A 30 2.116 -4.035 7.949 1.00 0.00 N ATOM 470 CA LEU A 30 0.861 -4.228 8.663 1.00 0.00 C ATOM 471 C LEU A 30 -0.340 -4.189 7.708 1.00 0.00 C ATOM 472 O LEU A 30 -1.228 -5.038 7.798 1.00 0.00 O ATOM 473 CB LEU A 30 0.669 -3.259 9.843 1.00 0.00 C ATOM 474 CG LEU A 30 1.695 -2.144 10.076 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.081 -1.079 10.992 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.961 -2.673 10.758 1.00 0.00 C ATOM 0 H LEU A 30 2.720 -3.327 8.366 1.00 0.00 H new ATOM 0 HA LEU A 30 0.919 -5.225 9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.306 -2.786 9.723 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.623 -3.857 10.753 1.00 0.00 H new ATOM 0 HG LEU A 30 1.961 -1.731 9.103 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.806 -0.283 11.162 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.190 -0.664 10.521 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.810 -1.532 11.946 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.664 -1.853 10.906 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.700 -3.106 11.724 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.421 -3.436 10.130 1.00 0.00 H new ATOM 488 N LEU A 31 -0.369 -3.214 6.797 1.00 0.00 N ATOM 489 CA LEU A 31 -1.442 -3.079 5.820 1.00 0.00 C ATOM 490 C LEU A 31 -1.643 -4.401 5.076 1.00 0.00 C ATOM 491 O LEU A 31 -2.709 -5.016 5.143 1.00 0.00 O ATOM 492 CB LEU A 31 -1.106 -1.944 4.838 1.00 0.00 C ATOM 493 CG LEU A 31 -2.311 -1.283 4.150 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.836 -0.546 2.903 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.447 -2.226 3.774 1.00 0.00 C ATOM 0 H LEU A 31 0.353 -2.498 6.719 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.372 -2.832 6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.550 -1.175 5.375 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.442 -2.338 4.069 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.731 -0.604 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.688 -0.076 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.112 0.219 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.368 -1.253 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.246 -1.660 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.077 -2.985 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.832 -2.709 4.672 1.00 0.00 H new ATOM 507 N LEU A 32 -0.602 -4.840 4.370 1.00 0.00 N ATOM 508 CA LEU A 32 -0.648 -6.059 3.580 1.00 0.00 C ATOM 509 C LEU A 32 -0.977 -7.252 4.466 1.00 0.00 C ATOM 510 O LEU A 32 -1.775 -8.098 4.085 1.00 0.00 O ATOM 511 CB LEU A 32 0.669 -6.310 2.838 1.00 0.00 C ATOM 512 CG LEU A 32 1.103 -5.179 1.900 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.490 -5.485 1.324 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.122 -4.964 0.746 1.00 0.00 C ATOM 0 H LEU A 32 0.295 -4.357 4.333 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.433 -5.932 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.457 -6.477 3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.574 -7.228 2.258 1.00 0.00 H new ATOM 0 HG LEU A 32 1.125 -4.265 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.794 -4.677 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.210 -5.574 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.454 -6.421 0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.478 -4.151 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.048 -5.878 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.860 -4.709 1.146 1.00 0.00 H new ATOM 526 N GLN A 33 -0.371 -7.328 5.650 1.00 0.00 N ATOM 527 CA GLN A 33 -0.604 -8.408 6.578 1.00 0.00 C ATOM 528 C GLN A 33 -2.089 -8.502 6.927 1.00 0.00 C ATOM 529 O GLN A 33 -2.624 -9.601 7.028 1.00 0.00 O ATOM 530 CB GLN A 33 0.255 -8.160 7.816 1.00 0.00 C ATOM 531 CG GLN A 33 1.685 -8.690 7.656 1.00 0.00 C ATOM 532 CD GLN A 33 2.478 -8.694 8.961 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.253 -9.601 9.225 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.318 -7.691 9.811 1.00 0.00 N ATOM 0 H GLN A 33 0.297 -6.633 5.984 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.326 -9.363 6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.289 -7.090 8.022 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.211 -8.636 8.679 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.647 -9.705 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.211 -8.080 6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.671 -6.934 9.590 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.842 -7.676 10.686 1.00 0.00 H new ATOM 543 N THR A 34 -2.756 -7.361 7.108 1.00 0.00 N ATOM 544 CA THR A 34 -4.171 -7.360 7.441 1.00 0.00 C ATOM 545 C THR A 34 -5.035 -7.691 6.218 1.00 0.00 C ATOM 546 O THR A 34 -5.955 -8.500 6.310 1.00 0.00 O ATOM 547 CB THR A 34 -4.594 -6.003 8.030 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.667 -5.532 8.995 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.967 -6.138 8.704 1.00 0.00 C ATOM 0 H THR A 34 -2.338 -6.434 7.029 1.00 0.00 H new ATOM 0 HA THR A 34 -4.328 -8.135 8.191 1.00 0.00 H new ATOM 0 HB THR A 34 -4.632 -5.290 7.207 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.824 -5.300 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.264 -5.175 9.120 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.704 -6.458 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.909 -6.877 9.503 1.00 0.00 H new ATOM 557 N GLU A 35 -4.768 -7.042 5.082 1.00 0.00 N ATOM 558 CA GLU A 35 -5.603 -7.157 3.892 1.00 0.00 C ATOM 559 C GLU A 35 -5.331 -8.362 2.996 1.00 0.00 C ATOM 560 O GLU A 35 -6.280 -8.992 2.533 1.00 0.00 O ATOM 561 CB GLU A 35 -5.523 -5.855 3.086 1.00 0.00 C ATOM 562 CG GLU A 35 -5.926 -4.631 3.917 1.00 0.00 C ATOM 563 CD GLU A 35 -7.336 -4.754 4.483 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.269 -4.871 3.660 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.453 -4.725 5.728 1.00 0.00 O ATOM 0 H GLU A 35 -3.966 -6.423 4.965 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.612 -7.331 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.507 -5.721 2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.173 -5.929 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.218 -4.502 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.863 -3.737 3.297 1.00 0.00 H new ATOM 572 N PHE A 36 -4.071 -8.690 2.710 1.00 0.00 N ATOM 573 CA PHE A 36 -3.756 -9.788 1.811 1.00 0.00 C ATOM 574 C PHE A 36 -2.381 -10.334 2.223 1.00 0.00 C ATOM 575 O PHE A 36 -1.378 -10.057 1.560 1.00 0.00 O ATOM 576 CB PHE A 36 -3.794 -9.333 0.334 1.00 0.00 C ATOM 577 CG PHE A 36 -3.945 -7.845 0.048 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.214 -7.241 -0.072 1.00 0.00 C ATOM 579 CD2 PHE A 36 -2.793 -7.092 -0.236 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.319 -5.882 -0.424 1.00 0.00 C ATOM 581 CE2 PHE A 36 -2.906 -5.772 -0.702 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.167 -5.155 -0.766 1.00 0.00 C ATOM 0 H PHE A 36 -3.256 -8.208 3.090 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.502 -10.579 1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.875 -9.673 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.619 -9.852 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.107 -7.822 0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.816 -7.530 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.285 -5.399 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.024 -5.231 -1.011 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.250 -4.124 -1.077 1.00 0.00 H new ATOM 592 N PRO A 37 -2.311 -11.119 3.313 1.00 0.00 N ATOM 593 CA PRO A 37 -1.065 -11.685 3.817 1.00 0.00 C ATOM 594 C PRO A 37 -0.341 -12.603 2.821 1.00 0.00 C ATOM 595 O PRO A 37 0.789 -13.004 3.079 1.00 0.00 O ATOM 596 CB PRO A 37 -1.426 -12.413 5.115 1.00 0.00 C ATOM 597 CG PRO A 37 -2.915 -12.712 4.955 1.00 0.00 C ATOM 598 CD PRO A 37 -3.417 -11.496 4.180 1.00 0.00 C ATOM 0 HA PRO A 37 -0.343 -10.886 3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.844 -13.327 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.233 -11.792 5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.086 -13.640 4.409 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.414 -12.813 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.308 -11.738 3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.686 -10.682 4.853 1.00 0.00 H new ATOM 702 N THR A 45 10.606 -9.560 -2.383 1.00 0.00 N ATOM 703 CA THR A 45 10.599 -9.403 -0.938 1.00 0.00 C ATOM 704 C THR A 45 9.990 -8.051 -0.553 1.00 0.00 C ATOM 705 O THR A 45 9.850 -7.164 -1.390 1.00 0.00 O ATOM 706 CB THR A 45 12.029 -9.532 -0.391 1.00 0.00 C ATOM 707 OG1 THR A 45 12.862 -8.543 -0.962 1.00 0.00 O ATOM 708 CG2 THR A 45 12.617 -10.921 -0.662 1.00 0.00 C ATOM 0 HA THR A 45 9.986 -10.189 -0.497 1.00 0.00 H new ATOM 0 HB THR A 45 11.980 -9.391 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.093 -8.799 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.629 -10.972 -0.260 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.997 -11.678 -0.182 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.644 -11.101 -1.737 1.00 0.00 H new ATOM 716 N LEU A 46 9.642 -7.893 0.728 1.00 0.00 N ATOM 717 CA LEU A 46 9.060 -6.677 1.290 1.00 0.00 C ATOM 718 C LEU A 46 9.792 -5.435 0.787 1.00 0.00 C ATOM 719 O LEU A 46 9.164 -4.472 0.366 1.00 0.00 O ATOM 720 CB LEU A 46 9.139 -6.739 2.824 1.00 0.00 C ATOM 721 CG LEU A 46 8.598 -5.483 3.536 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.075 -5.369 3.395 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.992 -5.550 5.015 1.00 0.00 C ATOM 0 H LEU A 46 9.762 -8.632 1.421 1.00 0.00 H new ATOM 0 HA LEU A 46 8.019 -6.610 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.580 -7.608 3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.178 -6.890 3.117 1.00 0.00 H new ATOM 0 HG LEU A 46 9.033 -4.598 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.728 -4.472 3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.811 -5.307 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.602 -6.246 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.616 -4.667 5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.563 -6.445 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.078 -5.586 5.101 1.00 0.00 H new ATOM 735 N ASP A 47 11.123 -5.467 0.844 1.00 0.00 N ATOM 736 CA ASP A 47 11.991 -4.382 0.449 1.00 0.00 C ATOM 737 C ASP A 47 11.809 -4.107 -1.034 1.00 0.00 C ATOM 738 O ASP A 47 11.471 -2.993 -1.395 1.00 0.00 O ATOM 739 CB ASP A 47 13.446 -4.713 0.798 1.00 0.00 C ATOM 740 CG ASP A 47 14.388 -3.569 0.438 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.024 -2.412 0.743 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.466 -3.877 -0.114 1.00 0.00 O ATOM 0 H ASP A 47 11.635 -6.283 1.180 1.00 0.00 H new ATOM 0 HA ASP A 47 11.728 -3.477 0.996 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.525 -4.927 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.751 -5.616 0.268 1.00 0.00 H new ATOM 747 N GLU A 48 12.004 -5.111 -1.890 1.00 0.00 N ATOM 748 CA GLU A 48 11.845 -4.957 -3.332 1.00 0.00 C ATOM 749 C GLU A 48 10.463 -4.381 -3.663 1.00 0.00 C ATOM 750 O GLU A 48 10.338 -3.444 -4.444 1.00 0.00 O ATOM 751 CB GLU A 48 12.031 -6.317 -4.014 1.00 0.00 C ATOM 752 CG GLU A 48 13.465 -6.842 -3.880 1.00 0.00 C ATOM 753 CD GLU A 48 13.555 -8.278 -4.383 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.093 -9.163 -3.627 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.056 -8.465 -5.512 1.00 0.00 O ATOM 0 H GLU A 48 12.276 -6.051 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 48 12.600 -4.263 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.340 -7.038 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.775 -6.230 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.146 -6.208 -4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.780 -6.795 -2.838 1.00 0.00 H new ATOM 762 N LEU A 49 9.423 -4.953 -3.061 1.00 0.00 N ATOM 763 CA LEU A 49 8.040 -4.555 -3.256 1.00 0.00 C ATOM 764 C LEU A 49 7.833 -3.098 -2.845 1.00 0.00 C ATOM 765 O LEU A 49 7.443 -2.263 -3.660 1.00 0.00 O ATOM 766 CB LEU A 49 7.148 -5.537 -2.481 1.00 0.00 C ATOM 767 CG LEU A 49 5.675 -5.119 -2.407 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.050 -4.978 -3.801 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.892 -6.161 -1.599 1.00 0.00 C ATOM 0 H LEU A 49 9.527 -5.728 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 49 7.766 -4.602 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.213 -6.519 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.536 -5.642 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 49 5.626 -4.145 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.006 -4.681 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.592 -4.221 -4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.108 -5.933 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.844 -5.867 -1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.971 -7.133 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.304 -6.225 -0.592 1.00 0.00 H new ATOM 781 N PHE A 50 8.101 -2.774 -1.582 1.00 0.00 N ATOM 782 CA PHE A 50 7.975 -1.430 -1.062 1.00 0.00 C ATOM 783 C PHE A 50 8.860 -0.493 -1.878 1.00 0.00 C ATOM 784 O PHE A 50 8.485 0.650 -2.071 1.00 0.00 O ATOM 785 CB PHE A 50 8.370 -1.434 0.418 1.00 0.00 C ATOM 786 CG PHE A 50 8.780 -0.079 0.926 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.824 0.855 1.353 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.119 0.308 0.759 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.240 2.138 1.744 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.526 1.609 1.094 1.00 0.00 C ATOM 791 CZ PHE A 50 9.591 2.506 1.636 1.00 0.00 C ATOM 0 H PHE A 50 8.415 -3.452 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 50 6.947 -1.077 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.531 -1.798 1.010 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.192 -2.134 0.566 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.777 0.590 1.381 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.839 -0.398 0.371 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.519 2.844 2.129 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.549 1.917 0.936 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.912 3.481 1.971 1.00 0.00 H new ATOM 801 N GLU A 51 10.019 -0.944 -2.364 1.00 0.00 N ATOM 802 CA GLU A 51 10.875 -0.079 -3.172 1.00 0.00 C ATOM 803 C GLU A 51 10.227 0.194 -4.528 1.00 0.00 C ATOM 804 O GLU A 51 10.230 1.333 -4.984 1.00 0.00 O ATOM 805 CB GLU A 51 12.277 -0.674 -3.348 1.00 0.00 C ATOM 806 CG GLU A 51 13.141 -0.490 -2.094 1.00 0.00 C ATOM 807 CD GLU A 51 14.469 -1.235 -2.212 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.424 -2.426 -2.593 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.505 -0.598 -1.927 1.00 0.00 O ATOM 0 H GLU A 51 10.380 -1.886 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 51 10.988 0.867 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.194 -1.736 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.767 -0.201 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.331 0.571 -1.935 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.597 -0.850 -1.221 1.00 0.00 H new ATOM 816 N GLU A 52 9.656 -0.832 -5.168 1.00 0.00 N ATOM 817 CA GLU A 52 8.965 -0.665 -6.441 1.00 0.00 C ATOM 818 C GLU A 52 7.869 0.373 -6.234 1.00 0.00 C ATOM 819 O GLU A 52 7.657 1.257 -7.056 1.00 0.00 O ATOM 820 CB GLU A 52 8.367 -2.009 -6.886 1.00 0.00 C ATOM 821 CG GLU A 52 7.277 -1.842 -7.958 1.00 0.00 C ATOM 822 CD GLU A 52 6.732 -3.192 -8.413 1.00 0.00 C ATOM 823 OE1 GLU A 52 6.074 -3.846 -7.576 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.980 -3.541 -9.587 1.00 0.00 O ATOM 0 H GLU A 52 9.662 -1.790 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 52 9.652 -0.332 -7.219 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.161 -2.645 -7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.946 -2.520 -6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.464 -1.235 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.686 -1.306 -8.814 1.00 0.00 H new ATOM 831 N LEU A 53 7.167 0.221 -5.116 1.00 0.00 N ATOM 832 CA LEU A 53 6.076 1.069 -4.697 1.00 0.00 C ATOM 833 C LEU A 53 6.532 2.501 -4.378 1.00 0.00 C ATOM 834 O LEU A 53 5.922 3.457 -4.846 1.00 0.00 O ATOM 835 CB LEU A 53 5.428 0.389 -3.483 1.00 0.00 C ATOM 836 CG LEU A 53 4.419 -0.685 -3.901 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.140 -1.580 -2.694 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.104 -0.068 -4.394 1.00 0.00 C ATOM 0 H LEU A 53 7.358 -0.531 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 53 5.355 1.181 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.203 -0.062 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.927 1.139 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 53 4.842 -1.260 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.423 -2.352 -2.972 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.068 -2.048 -2.366 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.730 -0.979 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.415 -0.862 -4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.660 0.527 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.302 0.570 -5.255 1.00 0.00 H new ATOM 850 N ASP A 54 7.592 2.678 -3.587 1.00 0.00 N ATOM 851 CA ASP A 54 8.104 3.979 -3.178 1.00 0.00 C ATOM 852 C ASP A 54 8.937 4.526 -4.334 1.00 0.00 C ATOM 853 O ASP A 54 10.154 4.650 -4.223 1.00 0.00 O ATOM 854 CB ASP A 54 8.920 3.854 -1.870 1.00 0.00 C ATOM 855 CG ASP A 54 9.411 5.214 -1.349 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.128 6.236 -2.012 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.095 5.228 -0.299 1.00 0.00 O ATOM 0 H ASP A 54 8.129 1.899 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 54 7.291 4.672 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.305 3.377 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.778 3.203 -2.042 1.00 0.00 H new ATOM 862 N LYS A 55 8.279 4.863 -5.446 1.00 0.00 N ATOM 863 CA LYS A 55 8.954 5.359 -6.641 1.00 0.00 C ATOM 864 C LYS A 55 9.786 6.603 -6.330 1.00 0.00 C ATOM 865 O LYS A 55 10.830 6.826 -6.934 1.00 0.00 O ATOM 866 CB LYS A 55 7.952 5.631 -7.771 1.00 0.00 C ATOM 867 CG LYS A 55 6.968 4.467 -7.938 1.00 0.00 C ATOM 868 CD LYS A 55 6.456 4.322 -9.377 1.00 0.00 C ATOM 869 CE LYS A 55 7.442 3.527 -10.244 1.00 0.00 C ATOM 870 NZ LYS A 55 7.489 2.102 -9.856 1.00 0.00 N ATOM 0 H LYS A 55 7.265 4.799 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 55 9.637 4.581 -6.983 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.401 6.547 -7.558 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.490 5.792 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.455 3.540 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.120 4.615 -7.269 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.488 3.821 -9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.302 5.310 -9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.153 3.609 -11.292 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.438 3.961 -10.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.178 1.602 -10.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.773 2.023 -8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.549 1.676 -9.983 1.00 0.00 H new ATOM 884 N ASN A 56 9.316 7.411 -5.380 1.00 0.00 N ATOM 885 CA ASN A 56 10.002 8.624 -4.966 1.00 0.00 C ATOM 886 C ASN A 56 11.254 8.306 -4.138 1.00 0.00 C ATOM 887 O ASN A 56 12.161 9.128 -4.076 1.00 0.00 O ATOM 888 CB ASN A 56 9.025 9.506 -4.186 1.00 0.00 C ATOM 889 CG ASN A 56 9.609 10.886 -3.896 1.00 0.00 C ATOM 890 OD1 ASN A 56 10.149 11.548 -4.771 1.00 0.00 O ATOM 891 ND2 ASN A 56 9.499 11.364 -2.668 1.00 0.00 N ATOM 0 H ASN A 56 8.446 7.238 -4.877 1.00 0.00 H new ATOM 0 HA ASN A 56 10.343 9.162 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.101 9.615 -4.755 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.765 9.017 -3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.866 12.290 -2.446 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.048 10.807 -1.942 1.00 0.00 H new ATOM 898 N GLY A 57 11.318 7.129 -3.503 1.00 0.00 N ATOM 899 CA GLY A 57 12.447 6.701 -2.692 1.00 0.00 C ATOM 900 C GLY A 57 12.671 7.683 -1.550 1.00 0.00 C ATOM 901 O GLY A 57 13.702 8.349 -1.505 1.00 0.00 O ATOM 0 H GLY A 57 10.568 6.439 -3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.261 5.704 -2.294 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.344 6.636 -3.308 1.00 0.00 H new ATOM 905 N ASP A 58 11.704 7.777 -0.628 1.00 0.00 N ATOM 906 CA ASP A 58 11.771 8.732 0.479 1.00 0.00 C ATOM 907 C ASP A 58 11.638 8.078 1.847 1.00 0.00 C ATOM 908 O ASP A 58 12.025 8.683 2.842 1.00 0.00 O ATOM 909 CB ASP A 58 10.732 9.847 0.296 1.00 0.00 C ATOM 910 CG ASP A 58 9.282 9.364 0.303 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.869 8.777 1.325 1.00 0.00 O ATOM 912 OD2 ASP A 58 8.601 9.615 -0.716 1.00 0.00 O ATOM 0 H ASP A 58 10.863 7.199 -0.630 1.00 0.00 H new ATOM 0 HA ASP A 58 12.769 9.170 0.450 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.862 10.582 1.090 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.928 10.359 -0.646 1.00 0.00 H new ATOM 917 N GLY A 59 11.090 6.864 1.908 1.00 0.00 N ATOM 918 CA GLY A 59 10.872 6.171 3.167 1.00 0.00 C ATOM 919 C GLY A 59 9.439 5.669 3.241 1.00 0.00 C ATOM 920 O GLY A 59 9.166 4.724 3.984 1.00 0.00 O ATOM 0 H GLY A 59 10.788 6.340 1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.565 5.334 3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.075 6.842 4.001 1.00 0.00 H new ATOM 924 N GLU A 60 8.517 6.272 2.479 1.00 0.00 N ATOM 925 CA GLU A 60 7.147 5.838 2.441 1.00 0.00 C ATOM 926 C GLU A 60 6.602 5.820 1.009 1.00 0.00 C ATOM 927 O GLU A 60 7.155 6.435 0.105 1.00 0.00 O ATOM 928 CB GLU A 60 6.302 6.792 3.282 1.00 0.00 C ATOM 929 CG GLU A 60 6.887 7.295 4.613 1.00 0.00 C ATOM 930 CD GLU A 60 7.696 8.577 4.430 1.00 0.00 C ATOM 931 OE1 GLU A 60 7.066 9.598 4.070 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.923 8.517 4.660 1.00 0.00 O ATOM 0 H GLU A 60 8.717 7.072 1.878 1.00 0.00 H new ATOM 0 HA GLU A 60 7.098 4.824 2.837 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.072 7.663 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.356 6.296 3.500 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.078 7.474 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.523 6.523 5.045 1.00 0.00 H new ATOM 939 N VAL A 61 5.482 5.125 0.850 1.00 0.00 N ATOM 940 CA VAL A 61 4.665 4.964 -0.343 1.00 0.00 C ATOM 941 C VAL A 61 3.541 5.994 -0.164 1.00 0.00 C ATOM 942 O VAL A 61 3.488 6.659 0.865 1.00 0.00 O ATOM 943 CB VAL A 61 4.132 3.508 -0.393 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.292 3.200 -1.643 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.301 2.521 -0.366 1.00 0.00 C ATOM 0 H VAL A 61 5.085 4.608 1.635 1.00 0.00 H new ATOM 0 HA VAL A 61 5.198 5.127 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 61 3.490 3.401 0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.954 2.164 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.427 3.863 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.898 3.354 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.917 1.501 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.945 2.696 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.874 2.661 0.550 1.00 0.00 H new ATOM 955 N SER A 62 2.618 6.137 -1.107 1.00 0.00 N ATOM 956 CA SER A 62 1.464 7.021 -0.992 1.00 0.00 C ATOM 957 C SER A 62 0.369 6.419 -1.860 1.00 0.00 C ATOM 958 O SER A 62 0.672 5.569 -2.699 1.00 0.00 O ATOM 959 CB SER A 62 1.792 8.458 -1.403 1.00 0.00 C ATOM 960 OG SER A 62 2.141 8.498 -2.768 1.00 0.00 O ATOM 0 H SER A 62 2.651 5.631 -1.992 1.00 0.00 H new ATOM 0 HA SER A 62 1.140 7.092 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.933 9.103 -1.219 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.613 8.840 -0.797 1.00 0.00 H new ATOM 0 HG SER A 62 2.348 9.421 -3.026 1.00 0.00 H new ATOM 966 N PHE A 63 -0.885 6.838 -1.669 1.00 0.00 N ATOM 967 CA PHE A 63 -2.008 6.329 -2.446 1.00 0.00 C ATOM 968 C PHE A 63 -1.661 6.360 -3.934 1.00 0.00 C ATOM 969 O PHE A 63 -1.877 5.381 -4.643 1.00 0.00 O ATOM 970 CB PHE A 63 -3.301 7.055 -2.087 1.00 0.00 C ATOM 971 CG PHE A 63 -4.513 6.589 -2.870 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.231 5.465 -2.421 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.835 7.171 -4.111 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.338 4.996 -3.151 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.904 6.660 -4.870 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.708 5.630 -4.347 1.00 0.00 C ATOM 0 H PHE A 63 -1.145 7.537 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.193 5.285 -2.193 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.496 6.921 -1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.163 8.123 -2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.931 4.961 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.262 8.009 -4.480 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.903 4.149 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.107 7.058 -5.853 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.607 5.329 -4.864 1.00 0.00 H new ATOM 986 N GLU A 64 -1.082 7.486 -4.363 1.00 0.00 N ATOM 987 CA GLU A 64 -0.609 7.764 -5.708 1.00 0.00 C ATOM 988 C GLU A 64 0.044 6.535 -6.352 1.00 0.00 C ATOM 989 O GLU A 64 -0.407 6.031 -7.375 1.00 0.00 O ATOM 990 CB GLU A 64 0.423 8.908 -5.621 1.00 0.00 C ATOM 991 CG GLU A 64 0.700 9.517 -7.000 1.00 0.00 C ATOM 992 CD GLU A 64 1.784 10.587 -6.914 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.962 10.186 -6.798 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.413 11.779 -6.953 1.00 0.00 O ATOM 0 H GLU A 64 -0.925 8.273 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.460 8.042 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.055 9.682 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.352 8.530 -5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.010 8.734 -7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.216 9.952 -7.400 1.00 0.00 H new ATOM 1001 N GLU A 65 1.128 6.070 -5.732 1.00 0.00 N ATOM 1002 CA GLU A 65 1.938 4.963 -6.216 1.00 0.00 C ATOM 1003 C GLU A 65 1.257 3.648 -5.869 1.00 0.00 C ATOM 1004 O GLU A 65 1.322 2.688 -6.631 1.00 0.00 O ATOM 1005 CB GLU A 65 3.377 5.017 -5.668 1.00 0.00 C ATOM 1006 CG GLU A 65 3.646 6.190 -4.717 1.00 0.00 C ATOM 1007 CD GLU A 65 5.117 6.419 -4.389 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.934 6.420 -5.335 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.389 6.644 -3.192 1.00 0.00 O ATOM 0 H GLU A 65 1.472 6.466 -4.857 1.00 0.00 H new ATOM 0 HA GLU A 65 2.022 5.044 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.590 4.084 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.071 5.078 -6.507 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.241 7.100 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.103 6.019 -3.788 1.00 0.00 H new ATOM 1016 N PHE A 66 0.588 3.605 -4.718 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.142 2.418 -4.287 1.00 0.00 C ATOM 1018 C PHE A 66 -1.149 1.978 -5.360 1.00 0.00 C ATOM 1019 O PHE A 66 -1.460 0.791 -5.446 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.757 2.677 -2.910 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.847 1.726 -2.475 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.561 0.365 -2.268 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.159 2.201 -2.301 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.598 -0.527 -1.944 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.174 1.327 -1.880 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.895 -0.040 -1.710 1.00 0.00 C ATOM 0 H PHE A 66 0.538 4.386 -4.064 1.00 0.00 H new ATOM 0 HA PHE A 66 0.535 1.571 -4.173 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.041 2.646 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.162 3.689 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.547 0.006 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.386 3.240 -2.491 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.398 -1.586 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.167 1.704 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.678 -0.716 -1.399 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.634 2.893 -6.215 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.509 2.500 -7.318 1.00 0.00 C ATOM 1038 C GLN A 67 -1.889 1.407 -8.192 1.00 0.00 C ATOM 1039 O GLN A 67 -2.614 0.631 -8.807 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.069 3.683 -8.125 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.718 4.757 -7.256 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.666 4.106 -6.261 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.796 3.764 -6.584 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.213 3.905 -5.037 1.00 0.00 N ATOM 0 H GLN A 67 -1.436 3.892 -6.162 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.387 2.055 -6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.262 4.133 -8.703 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.804 3.311 -8.839 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.951 5.322 -6.726 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.262 5.465 -7.881 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.268 4.198 -4.788 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.808 3.457 -4.340 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.560 1.302 -8.233 1.00 0.00 N ATOM 1054 CA VAL A 68 0.101 0.226 -8.956 1.00 0.00 C ATOM 1055 C VAL A 68 -0.330 -1.106 -8.322 1.00 0.00 C ATOM 1056 O VAL A 68 -0.634 -2.066 -9.025 1.00 0.00 O ATOM 1057 CB VAL A 68 1.627 0.434 -8.932 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.367 -0.728 -9.604 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.008 1.727 -9.667 1.00 0.00 C ATOM 0 H VAL A 68 0.076 1.952 -7.772 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.190 0.217 -10.006 1.00 0.00 H new ATOM 0 HB VAL A 68 1.919 0.491 -7.883 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.441 -0.545 -9.567 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.139 -1.656 -9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.048 -0.810 -10.643 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.090 1.856 -9.639 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.676 1.668 -10.704 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.529 2.577 -9.181 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.391 -1.172 -6.989 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.809 -2.372 -6.280 1.00 0.00 C ATOM 1071 C LEU A 69 -2.291 -2.599 -6.589 1.00 0.00 C ATOM 1072 O LEU A 69 -2.684 -3.710 -6.949 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.544 -2.187 -4.777 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.298 -3.473 -3.969 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -1.442 -4.481 -4.085 1.00 0.00 C ATOM 1076 CD2 LEU A 69 1.023 -4.150 -4.356 1.00 0.00 C ATOM 0 H LEU A 69 -0.151 -0.392 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.248 -3.251 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.323 -1.537 -4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.396 -1.665 -4.340 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.241 -3.151 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.209 -5.366 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.363 -4.030 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.571 -4.766 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.157 -5.054 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.002 -4.412 -5.414 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.851 -3.466 -4.168 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.104 -1.539 -6.472 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.535 -1.589 -6.789 1.00 0.00 C ATOM 1090 C VAL A 70 -4.723 -2.182 -8.194 1.00 0.00 C ATOM 1091 O VAL A 70 -5.635 -2.973 -8.439 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.200 -0.207 -6.655 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.699 -0.276 -6.983 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.030 0.352 -5.234 1.00 0.00 C ATOM 0 H VAL A 70 -2.786 -0.623 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.034 -2.235 -6.066 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.706 0.453 -7.367 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.140 0.715 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.832 -0.627 -8.006 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.190 -0.965 -6.296 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.509 1.329 -5.168 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.491 -0.328 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.969 0.452 -5.007 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.847 -1.816 -9.128 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.887 -2.378 -10.459 1.00 0.00 C ATOM 1106 C LYS A 71 -3.572 -3.872 -10.374 1.00 0.00 C ATOM 1107 O LYS A 71 -4.375 -4.667 -10.855 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.946 -1.628 -11.414 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.008 -2.215 -12.833 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.120 -1.408 -13.788 1.00 0.00 C ATOM 1111 CE LYS A 71 -1.943 -2.124 -15.133 1.00 0.00 C ATOM 1112 NZ LYS A 71 -3.232 -2.379 -15.802 1.00 0.00 N ATOM 0 H LYS A 71 -3.105 -1.133 -8.979 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.886 -2.260 -10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.218 -0.573 -11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.924 -1.684 -11.039 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.683 -3.255 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.037 -2.208 -13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.561 -0.425 -13.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.144 -1.246 -13.330 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.311 -1.520 -15.784 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.425 -3.070 -14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.434 -3.399 -15.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.989 -1.870 -15.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.183 -2.048 -16.787 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.436 -4.290 -9.793 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.081 -5.685 -9.790 1.00 0.00 C ATOM 1128 C LYS A 72 -3.088 -6.620 -9.125 1.00 0.00 C ATOM 1129 O LYS A 72 -3.273 -7.742 -9.595 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.665 -5.971 -9.329 1.00 0.00 C ATOM 1131 CG LYS A 72 0.479 -5.041 -9.752 1.00 0.00 C ATOM 1132 CD LYS A 72 0.411 -4.650 -11.234 1.00 0.00 C ATOM 1133 CE LYS A 72 1.703 -3.977 -11.713 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.845 -4.909 -11.735 1.00 0.00 N ATOM 0 H LYS A 72 -1.766 -3.676 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.121 -5.927 -10.852 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.677 -5.996 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.410 -6.975 -9.668 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.452 -4.139 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.432 -5.532 -9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.222 -5.540 -11.835 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.429 -3.974 -11.392 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.549 -3.571 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.936 -3.136 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.619 -4.496 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.172 -5.080 -10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.550 -5.809 -12.164 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.761 -6.197 -8.053 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.782 -7.065 -7.458 1.00 0.00 C ATOM 1150 C ILE A 73 -5.899 -7.306 -8.480 1.00 0.00 C ATOM 1151 O ILE A 73 -6.542 -8.350 -8.470 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.369 -6.487 -6.167 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.860 -5.060 -6.393 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.347 -6.556 -5.030 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -6.732 -4.540 -5.269 1.00 0.00 C ATOM 0 H ILE A 73 -3.627 -5.296 -7.593 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.300 -8.006 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.228 -7.091 -5.875 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.999 -4.402 -6.510 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.421 -5.020 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.784 -6.140 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.067 -7.595 -4.855 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.461 -5.982 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.046 -3.521 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.611 -5.176 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.167 -4.548 -4.337 1.00 0.00 H new ATOM 1167 N SER A 74 -6.098 -6.351 -9.392 1.00 0.00 N ATOM 1168 CA SER A 74 -7.057 -6.416 -10.473 1.00 0.00 C ATOM 1169 C SER A 74 -6.326 -6.965 -11.705 1.00 0.00 C ATOM 1170 O SER A 74 -6.729 -6.710 -12.836 1.00 0.00 O ATOM 1171 CB SER A 74 -7.595 -5.001 -10.740 1.00 0.00 C ATOM 1172 OG SER A 74 -7.887 -4.319 -9.530 1.00 0.00 O ATOM 0 H SER A 74 -5.568 -5.479 -9.388 1.00 0.00 H new ATOM 0 HA SER A 74 -7.899 -7.064 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.860 -4.433 -11.311 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.496 -5.062 -11.351 1.00 0.00 H new ATOM 0 HG SER A 74 -7.077 -3.877 -9.200 1.00 0.00 H new ATOM 1178 N GLN A 75 -5.220 -7.687 -11.495 1.00 0.00 N ATOM 1179 CA GLN A 75 -4.354 -8.256 -12.515 1.00 0.00 C ATOM 1180 C GLN A 75 -3.937 -9.664 -12.100 1.00 0.00 C ATOM 1181 O GLN A 75 -3.708 -10.518 -12.954 1.00 0.00 O ATOM 1182 CB GLN A 75 -3.123 -7.343 -12.674 1.00 0.00 C ATOM 1183 CG GLN A 75 -2.706 -7.182 -14.140 1.00 0.00 C ATOM 1184 CD GLN A 75 -3.460 -6.054 -14.856 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.950 -5.462 -15.797 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -4.670 -5.699 -14.441 1.00 0.00 N ATOM 0 H GLN A 75 -4.893 -7.898 -10.552 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.877 -8.323 -13.469 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.343 -6.363 -12.251 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.290 -7.756 -12.105 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.635 -6.984 -14.188 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.880 -8.120 -14.667 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -5.104 -6.187 -13.657 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.166 -4.939 -14.906 1.00 0.00 H new