USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 774 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 13 THR OG1 : rot 98:sc= 1.18 USER MOD Set 1.2: A 72 SER OG : rot 30:sc= -0.0448 USER MOD Single : A 8 ASN : amide:sc= -0.892 K(o=-0.89,f=0) USER MOD Single : A 19 CYS SG : rot -73:sc= 0.171 USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= 1.15 (180deg=-0.132) USER MOD Single : A 24 SER OG : rot -48:sc= 0.746 USER MOD Single : A 27 HIS : no HE2:sc= 0.872 K(o=0.87,f=-6.6!) USER MOD Single : A 28 LYS NZ :NH3+ 173:sc=-0.000835 (180deg=-0.0518) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -153:sc= 0.594 (180deg=0.255) USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= 2.47 (180deg=1.15) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0337) USER MOD Single : A 46 LYS NZ :NH3+ -153:sc= 0 (180deg=-1.12) USER MOD Single : A 53 GLN : amide:sc= -4.33! C(o=-4.3!,f=-5.3!) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0502) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -172:sc= -0.0131 (180deg=-0.112) USER MOD Single : A 69 GLN : amide:sc= -0.949 K(o=-0.95,f=-5!) USER MOD Single : A 70 ASN : amide:sc= -0.836 K(o=-0.84,f=-4.3!) USER MOD Single : A 79 SER OG : rot 180:sc=-0.00833 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 84 LYS NZ :NH3+ -156:sc= -0.446 (180deg=-1.76!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= -0.0507 (180deg=-0.335) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ -125:sc= 0.942 (180deg=-0.257) USER MOD Single : A 106 MET CE :methyl -176:sc= -3.72! (180deg=-3.81!) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= -0.0156 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -14.187 6.044 3.656 1.00 0.00 N ATOM 61 CA GLY A 5 -13.301 6.815 4.514 1.00 0.00 C ATOM 62 C GLY A 5 -12.089 6.028 4.983 1.00 0.00 C ATOM 63 O GLY A 5 -11.239 6.560 5.699 1.00 0.00 O ATOM 0 HA2 GLY A 5 -12.965 7.701 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.859 7.163 5.383 1.00 0.00 H new ATOM 67 N ILE A 6 -12.005 4.762 4.583 1.00 0.00 N ATOM 68 CA ILE A 6 -10.853 3.930 4.909 1.00 0.00 C ATOM 69 C ILE A 6 -9.615 4.491 4.225 1.00 0.00 C ATOM 70 O ILE A 6 -8.502 4.402 4.733 1.00 0.00 O ATOM 71 CB ILE A 6 -11.077 2.459 4.480 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.227 1.837 5.278 1.00 0.00 C ATOM 73 CG2 ILE A 6 -9.806 1.638 4.654 1.00 0.00 C ATOM 74 CD1 ILE A 6 -11.971 1.776 6.771 1.00 0.00 C ATOM 0 H ILE A 6 -12.722 4.291 4.032 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.715 3.942 5.990 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.342 2.453 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.135 2.412 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.410 0.828 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.992 0.609 4.345 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.012 2.063 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.503 1.653 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.829 1.324 7.269 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.082 1.176 6.963 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.818 2.784 7.155 1.00 0.00 H new ATOM 86 N LEU A 7 -9.831 5.093 3.077 1.00 0.00 N ATOM 87 CA LEU A 7 -8.772 5.755 2.351 1.00 0.00 C ATOM 88 C LEU A 7 -9.333 6.990 1.668 1.00 0.00 C ATOM 89 O LEU A 7 -10.500 7.009 1.269 1.00 0.00 O ATOM 90 CB LEU A 7 -8.066 4.795 1.352 1.00 0.00 C ATOM 91 CG LEU A 7 -8.881 4.179 0.182 1.00 0.00 C ATOM 92 CD1 LEU A 7 -10.152 3.494 0.658 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.192 5.208 -0.894 1.00 0.00 C ATOM 0 H LEU A 7 -10.743 5.137 2.622 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.999 6.068 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.226 5.336 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.649 3.970 1.930 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.245 3.412 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.685 3.080 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.896 2.691 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.788 4.219 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.763 4.737 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.775 6.021 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.261 5.605 -1.298 1.00 0.00 H new ATOM 105 N ASN A 8 -8.530 8.034 1.582 1.00 0.00 N ATOM 106 CA ASN A 8 -8.957 9.253 0.923 1.00 0.00 C ATOM 107 C ASN A 8 -8.521 9.213 -0.527 1.00 0.00 C ATOM 108 O ASN A 8 -7.332 9.296 -0.829 1.00 0.00 O ATOM 109 CB ASN A 8 -8.371 10.487 1.612 1.00 0.00 C ATOM 110 CG ASN A 8 -8.774 10.609 3.071 1.00 0.00 C ATOM 111 OD1 ASN A 8 -8.032 11.161 3.880 1.00 0.00 O ATOM 112 ND2 ASN A 8 -9.942 10.100 3.423 1.00 0.00 N ATOM 0 H ASN A 8 -7.582 8.062 1.959 1.00 0.00 H new ATOM 0 HA ASN A 8 -10.043 9.321 0.982 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.284 10.450 1.545 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.693 11.380 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.252 10.159 4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -10.533 9.649 2.725 1.00 0.00 H new ATOM 119 N ASP A 9 -9.501 9.078 -1.415 1.00 0.00 N ATOM 120 CA ASP A 9 -9.256 8.955 -2.851 1.00 0.00 C ATOM 121 C ASP A 9 -8.370 10.084 -3.352 1.00 0.00 C ATOM 122 O ASP A 9 -7.522 9.883 -4.215 1.00 0.00 O ATOM 123 CB ASP A 9 -10.586 8.956 -3.613 1.00 0.00 C ATOM 124 CG ASP A 9 -11.217 10.333 -3.727 1.00 0.00 C ATOM 125 OD1 ASP A 9 -11.590 10.914 -2.683 1.00 0.00 O ATOM 126 OD2 ASP A 9 -11.360 10.833 -4.862 1.00 0.00 O ATOM 0 H ASP A 9 -10.488 9.051 -1.161 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.740 8.011 -3.028 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.423 8.556 -4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.284 8.286 -3.111 1.00 0.00 H new ATOM 131 N ALA A 10 -8.577 11.263 -2.795 1.00 0.00 N ATOM 132 CA ALA A 10 -7.780 12.435 -3.134 1.00 0.00 C ATOM 133 C ALA A 10 -6.311 12.246 -2.756 1.00 0.00 C ATOM 134 O ALA A 10 -5.417 12.630 -3.510 1.00 0.00 O ATOM 135 CB ALA A 10 -8.352 13.661 -2.441 1.00 0.00 C ATOM 0 H ALA A 10 -9.299 11.438 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.824 12.575 -4.214 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.754 14.536 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.380 13.817 -2.767 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.333 13.511 -1.362 1.00 0.00 H new ATOM 141 N ASP A 11 -6.067 11.636 -1.597 1.00 0.00 N ATOM 142 CA ASP A 11 -4.701 11.443 -1.106 1.00 0.00 C ATOM 143 C ASP A 11 -3.983 10.420 -1.966 1.00 0.00 C ATOM 144 O ASP A 11 -2.836 10.615 -2.371 1.00 0.00 O ATOM 145 CB ASP A 11 -4.707 10.972 0.353 1.00 0.00 C ATOM 146 CG ASP A 11 -3.612 11.616 1.188 1.00 0.00 C ATOM 147 OD1 ASP A 11 -2.449 11.666 0.738 1.00 0.00 O ATOM 148 OD2 ASP A 11 -3.915 12.084 2.308 1.00 0.00 O ATOM 0 H ASP A 11 -6.793 11.268 -0.982 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.180 12.399 -1.162 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.676 11.197 0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.588 9.889 0.380 1.00 0.00 H new ATOM 153 N ILE A 12 -4.681 9.329 -2.244 1.00 0.00 N ATOM 154 CA ILE A 12 -4.189 8.301 -3.148 1.00 0.00 C ATOM 155 C ILE A 12 -3.835 8.914 -4.503 1.00 0.00 C ATOM 156 O ILE A 12 -2.717 8.762 -4.994 1.00 0.00 O ATOM 157 CB ILE A 12 -5.247 7.184 -3.338 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.210 6.179 -2.182 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.064 6.454 -4.662 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.759 6.704 -0.877 1.00 0.00 C ATOM 0 H ILE A 12 -5.601 9.132 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.294 7.862 -2.708 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.221 7.673 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.776 5.293 -2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.179 5.862 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.824 5.679 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.162 7.162 -5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.075 5.998 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.694 5.927 -0.116 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.179 7.571 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.801 6.994 -1.011 1.00 0.00 H new ATOM 172 N THR A 13 -4.791 9.636 -5.077 1.00 0.00 N ATOM 173 CA THR A 13 -4.624 10.262 -6.380 1.00 0.00 C ATOM 174 C THR A 13 -3.426 11.218 -6.395 1.00 0.00 C ATOM 175 O THR A 13 -2.753 11.361 -7.414 1.00 0.00 O ATOM 176 CB THR A 13 -5.908 11.018 -6.772 1.00 0.00 C ATOM 177 OG1 THR A 13 -7.022 10.118 -6.740 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.797 11.633 -8.156 1.00 0.00 C ATOM 0 H THR A 13 -5.703 9.803 -4.651 1.00 0.00 H new ATOM 0 HA THR A 13 -4.432 9.473 -7.108 1.00 0.00 H new ATOM 0 HB THR A 13 -6.054 11.825 -6.054 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.497 10.215 -5.888 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.722 12.157 -8.396 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.965 12.337 -8.176 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.624 10.847 -8.891 1.00 0.00 H new ATOM 186 N ALA A 14 -3.156 11.851 -5.259 1.00 0.00 N ATOM 187 CA ALA A 14 -2.014 12.750 -5.140 1.00 0.00 C ATOM 188 C ALA A 14 -0.706 11.998 -5.381 1.00 0.00 C ATOM 189 O ALA A 14 0.108 12.398 -6.216 1.00 0.00 O ATOM 190 CB ALA A 14 -2.010 13.415 -3.774 1.00 0.00 C ATOM 0 H ALA A 14 -3.711 11.759 -4.408 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.101 13.525 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.153 14.084 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.929 13.987 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.946 12.652 -2.998 1.00 0.00 H new ATOM 196 N ALA A 15 -0.510 10.904 -4.649 1.00 0.00 N ATOM 197 CA ALA A 15 0.648 10.044 -4.856 1.00 0.00 C ATOM 198 C ALA A 15 0.692 9.511 -6.287 1.00 0.00 C ATOM 199 O ALA A 15 1.761 9.410 -6.885 1.00 0.00 O ATOM 200 CB ALA A 15 0.626 8.898 -3.866 1.00 0.00 C ATOM 0 H ALA A 15 -1.139 10.594 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 15 1.547 10.638 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.495 8.260 -4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.651 9.294 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.284 8.314 -4.006 1.00 0.00 H new ATOM 206 N LEU A 16 -0.474 9.178 -6.833 1.00 0.00 N ATOM 207 CA LEU A 16 -0.574 8.729 -8.221 1.00 0.00 C ATOM 208 C LEU A 16 -0.052 9.795 -9.177 1.00 0.00 C ATOM 209 O LEU A 16 0.647 9.490 -10.140 1.00 0.00 O ATOM 210 CB LEU A 16 -2.024 8.395 -8.582 1.00 0.00 C ATOM 211 CG LEU A 16 -2.432 6.925 -8.450 1.00 0.00 C ATOM 212 CD1 LEU A 16 -1.544 6.034 -9.305 1.00 0.00 C ATOM 213 CD2 LEU A 16 -2.397 6.479 -7.002 1.00 0.00 C ATOM 0 H LEU A 16 -1.364 9.210 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 16 0.036 7.831 -8.319 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.681 8.991 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.202 8.709 -9.610 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.456 6.831 -8.810 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.855 4.995 -9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.632 6.328 -10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.507 6.139 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.691 5.431 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.387 6.598 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.088 7.087 -6.417 1.00 0.00 H new ATOM 225 N ALA A 17 -0.394 11.044 -8.896 1.00 0.00 N ATOM 226 CA ALA A 17 0.051 12.166 -9.708 1.00 0.00 C ATOM 227 C ALA A 17 1.559 12.360 -9.587 1.00 0.00 C ATOM 228 O ALA A 17 2.192 12.945 -10.464 1.00 0.00 O ATOM 229 CB ALA A 17 -0.684 13.433 -9.300 1.00 0.00 C ATOM 0 H ALA A 17 -0.983 11.306 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.179 11.948 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.342 14.266 -9.915 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.756 13.293 -9.441 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.481 13.649 -8.251 1.00 0.00 H new ATOM 235 N ALA A 18 2.128 11.871 -8.494 1.00 0.00 N ATOM 236 CA ALA A 18 3.565 11.959 -8.278 1.00 0.00 C ATOM 237 C ALA A 18 4.306 10.838 -9.004 1.00 0.00 C ATOM 238 O ALA A 18 5.452 11.012 -9.420 1.00 0.00 O ATOM 239 CB ALA A 18 3.878 11.929 -6.788 1.00 0.00 C ATOM 0 H ALA A 18 1.616 11.409 -7.743 1.00 0.00 H new ATOM 0 HA ALA A 18 3.910 12.907 -8.691 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.956 11.996 -6.641 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.392 12.772 -6.297 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.510 10.998 -6.358 1.00 0.00 H new ATOM 245 N CYS A 19 3.652 9.695 -9.168 1.00 0.00 N ATOM 246 CA CYS A 19 4.280 8.546 -9.815 1.00 0.00 C ATOM 247 C CYS A 19 3.653 8.259 -11.178 1.00 0.00 C ATOM 248 O CYS A 19 3.631 7.118 -11.642 1.00 0.00 O ATOM 249 CB CYS A 19 4.182 7.312 -8.913 1.00 0.00 C ATOM 250 SG CYS A 19 2.505 6.928 -8.357 1.00 0.00 S ATOM 0 H CYS A 19 2.691 9.537 -8.864 1.00 0.00 H new ATOM 0 HA CYS A 19 5.331 8.786 -9.977 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.580 6.451 -9.450 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.816 7.464 -8.039 1.00 0.00 H new ATOM 0 HG CYS A 19 2.134 7.797 -7.465 1.00 0.00 H new ATOM 256 N LYS A 20 3.171 9.307 -11.836 1.00 0.00 N ATOM 257 CA LYS A 20 2.542 9.178 -13.136 1.00 0.00 C ATOM 258 C LYS A 20 3.588 9.141 -14.252 1.00 0.00 C ATOM 259 O LYS A 20 3.276 9.372 -15.422 1.00 0.00 O ATOM 260 CB LYS A 20 1.593 10.351 -13.352 1.00 0.00 C ATOM 261 CG LYS A 20 2.299 11.691 -13.444 1.00 0.00 C ATOM 262 CD LYS A 20 1.326 12.833 -13.676 1.00 0.00 C ATOM 263 CE LYS A 20 2.062 14.154 -13.835 1.00 0.00 C ATOM 264 NZ LYS A 20 2.935 14.448 -12.668 1.00 0.00 N ATOM 0 H LYS A 20 3.207 10.263 -11.482 1.00 0.00 H new ATOM 0 HA LYS A 20 1.986 8.241 -13.165 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.025 10.185 -14.267 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.875 10.383 -12.533 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.856 11.871 -12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.025 11.663 -14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.733 12.634 -14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.631 12.899 -12.839 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.666 14.126 -14.742 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.338 14.960 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.955 15.474 -12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.562 13.966 -11.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.899 14.110 -12.862 1.00 0.00 H new ATOM 278 N ALA A 21 4.825 8.857 -13.880 1.00 0.00 N ATOM 279 CA ALA A 21 5.920 8.795 -14.832 1.00 0.00 C ATOM 280 C ALA A 21 6.895 7.692 -14.446 1.00 0.00 C ATOM 281 O ALA A 21 7.308 7.596 -13.290 1.00 0.00 O ATOM 282 CB ALA A 21 6.633 10.138 -14.902 1.00 0.00 C ATOM 0 H ALA A 21 5.097 8.664 -12.916 1.00 0.00 H new ATOM 0 HA ALA A 21 5.515 8.566 -15.818 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.452 10.078 -15.619 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.929 10.908 -15.218 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.030 10.391 -13.919 1.00 0.00 H new ATOM 288 N GLU A 22 7.247 6.854 -15.411 1.00 0.00 N ATOM 289 CA GLU A 22 8.205 5.784 -15.178 1.00 0.00 C ATOM 290 C GLU A 22 9.579 6.371 -14.888 1.00 0.00 C ATOM 291 O GLU A 22 10.059 7.247 -15.608 1.00 0.00 O ATOM 292 CB GLU A 22 8.272 4.825 -16.371 1.00 0.00 C ATOM 293 CG GLU A 22 7.061 3.910 -16.502 1.00 0.00 C ATOM 294 CD GLU A 22 5.811 4.638 -16.952 1.00 0.00 C ATOM 295 OE1 GLU A 22 5.597 4.750 -18.176 1.00 0.00 O ATOM 296 OE2 GLU A 22 5.036 5.104 -16.091 1.00 0.00 O ATOM 0 H GLU A 22 6.883 6.895 -16.363 1.00 0.00 H new ATOM 0 HA GLU A 22 7.872 5.211 -14.313 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.374 5.408 -17.287 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.169 4.212 -16.281 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.288 3.117 -17.214 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.869 3.431 -15.542 1.00 0.00 H new ATOM 303 N GLY A 23 10.206 5.884 -13.833 1.00 0.00 N ATOM 304 CA GLY A 23 11.426 6.496 -13.345 1.00 0.00 C ATOM 305 C GLY A 23 11.140 7.392 -12.158 1.00 0.00 C ATOM 306 O GLY A 23 12.009 7.651 -11.329 1.00 0.00 O ATOM 0 H GLY A 23 9.893 5.072 -13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 23 12.138 5.721 -13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.891 7.077 -14.142 1.00 0.00 H new ATOM 310 N SER A 24 9.902 7.858 -12.082 1.00 0.00 N ATOM 311 CA SER A 24 9.444 8.669 -10.969 1.00 0.00 C ATOM 312 C SER A 24 8.461 7.858 -10.129 1.00 0.00 C ATOM 313 O SER A 24 7.459 8.377 -9.635 1.00 0.00 O ATOM 314 CB SER A 24 8.785 9.956 -11.489 1.00 0.00 C ATOM 315 OG SER A 24 8.336 10.780 -10.425 1.00 0.00 O ATOM 0 H SER A 24 9.189 7.684 -12.790 1.00 0.00 H new ATOM 0 HA SER A 24 10.293 8.952 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.498 10.508 -12.102 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.943 9.700 -12.132 1.00 0.00 H new ATOM 0 HG SER A 24 7.837 10.237 -9.779 1.00 0.00 H new ATOM 321 N PHE A 25 8.760 6.577 -9.979 1.00 0.00 N ATOM 322 CA PHE A 25 7.890 5.667 -9.256 1.00 0.00 C ATOM 323 C PHE A 25 8.352 5.506 -7.814 1.00 0.00 C ATOM 324 O PHE A 25 9.503 5.152 -7.549 1.00 0.00 O ATOM 325 CB PHE A 25 7.826 4.305 -9.959 1.00 0.00 C ATOM 326 CG PHE A 25 9.149 3.598 -10.102 1.00 0.00 C ATOM 327 CD1 PHE A 25 10.071 4.003 -11.052 1.00 0.00 C ATOM 328 CD2 PHE A 25 9.461 2.516 -9.292 1.00 0.00 C ATOM 329 CE1 PHE A 25 11.279 3.347 -11.191 1.00 0.00 C ATOM 330 CE2 PHE A 25 10.668 1.857 -9.427 1.00 0.00 C ATOM 331 CZ PHE A 25 11.577 2.274 -10.378 1.00 0.00 C ATOM 0 H PHE A 25 9.605 6.143 -10.352 1.00 0.00 H new ATOM 0 HA PHE A 25 6.887 6.094 -9.245 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.144 3.659 -9.405 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.397 4.445 -10.951 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.843 4.842 -11.692 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.752 2.185 -8.547 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.989 3.674 -11.936 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.900 1.017 -8.789 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.521 1.760 -10.485 1.00 0.00 H new ATOM 341 N ASP A 26 7.467 5.818 -6.887 1.00 0.00 N ATOM 342 CA ASP A 26 7.757 5.670 -5.470 1.00 0.00 C ATOM 343 C ASP A 26 6.552 5.094 -4.735 1.00 0.00 C ATOM 344 O ASP A 26 5.738 5.819 -4.165 1.00 0.00 O ATOM 345 CB ASP A 26 8.211 7.002 -4.851 1.00 0.00 C ATOM 346 CG ASP A 26 7.523 8.220 -5.440 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.041 8.772 -6.436 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.488 8.652 -4.896 1.00 0.00 O ATOM 0 H ASP A 26 6.534 6.178 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 26 8.584 4.967 -5.363 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.024 6.975 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.288 7.105 -4.985 1.00 0.00 H new ATOM 353 N HIS A 27 6.440 3.773 -4.775 1.00 0.00 N ATOM 354 CA HIS A 27 5.325 3.065 -4.145 1.00 0.00 C ATOM 355 C HIS A 27 5.376 3.132 -2.620 1.00 0.00 C ATOM 356 O HIS A 27 4.337 3.153 -1.951 1.00 0.00 O ATOM 357 CB HIS A 27 5.264 1.605 -4.617 1.00 0.00 C ATOM 358 CG HIS A 27 6.582 0.878 -4.603 1.00 0.00 C ATOM 359 ND1 HIS A 27 7.297 0.599 -5.747 1.00 0.00 N ATOM 360 CD2 HIS A 27 7.306 0.364 -3.579 1.00 0.00 C ATOM 361 CE1 HIS A 27 8.400 -0.051 -5.429 1.00 0.00 C ATOM 362 NE2 HIS A 27 8.429 -0.207 -4.121 1.00 0.00 N ATOM 0 H HIS A 27 7.112 3.163 -5.240 1.00 0.00 H new ATOM 0 HA HIS A 27 4.414 3.575 -4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.560 1.063 -3.985 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.864 1.583 -5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 27 7.017 0.855 -6.694 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.047 0.398 -2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.152 -0.397 -6.123 1.00 0.00 H new ATOM 371 N LYS A 28 6.571 3.176 -2.068 1.00 0.00 N ATOM 372 CA LYS A 28 6.720 3.284 -0.630 1.00 0.00 C ATOM 373 C LYS A 28 6.208 4.638 -0.174 1.00 0.00 C ATOM 374 O LYS A 28 5.512 4.747 0.837 1.00 0.00 O ATOM 375 CB LYS A 28 8.174 3.115 -0.240 1.00 0.00 C ATOM 376 CG LYS A 28 8.410 3.082 1.262 1.00 0.00 C ATOM 377 CD LYS A 28 9.852 2.732 1.595 1.00 0.00 C ATOM 378 CE LYS A 28 10.128 2.836 3.088 1.00 0.00 C ATOM 379 NZ LYS A 28 9.261 1.930 3.889 1.00 0.00 N ATOM 0 H LYS A 28 7.448 3.139 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 28 6.141 2.497 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.552 2.191 -0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.753 3.932 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.162 4.053 1.691 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.743 2.352 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.068 1.719 1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.522 3.400 1.054 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.174 2.596 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.972 3.865 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.565 1.948 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.273 2.247 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.338 0.960 3.521 1.00 0.00 H new ATOM 393 N ALA A 29 6.543 5.664 -0.954 1.00 0.00 N ATOM 394 CA ALA A 29 6.049 7.006 -0.706 1.00 0.00 C ATOM 395 C ALA A 29 4.530 7.029 -0.759 1.00 0.00 C ATOM 396 O ALA A 29 3.898 7.780 -0.034 1.00 0.00 O ATOM 397 CB ALA A 29 6.630 7.991 -1.705 1.00 0.00 C ATOM 0 H ALA A 29 7.157 5.585 -1.765 1.00 0.00 H new ATOM 0 HA ALA A 29 6.368 7.307 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.244 8.989 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.717 7.997 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.346 7.695 -2.715 1.00 0.00 H new ATOM 403 N PHE A 30 3.955 6.179 -1.602 1.00 0.00 N ATOM 404 CA PHE A 30 2.505 6.067 -1.720 1.00 0.00 C ATOM 405 C PHE A 30 1.870 5.728 -0.375 1.00 0.00 C ATOM 406 O PHE A 30 0.958 6.419 0.073 1.00 0.00 O ATOM 407 CB PHE A 30 2.136 5.004 -2.763 1.00 0.00 C ATOM 408 CG PHE A 30 0.659 4.737 -2.881 1.00 0.00 C ATOM 409 CD1 PHE A 30 -0.145 5.548 -3.661 1.00 0.00 C ATOM 410 CD2 PHE A 30 0.079 3.670 -2.212 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.500 5.304 -3.770 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.275 3.420 -2.318 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.066 4.239 -3.098 1.00 0.00 C ATOM 0 H PHE A 30 4.474 5.553 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 30 2.117 7.032 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.515 5.319 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.642 4.073 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.292 6.382 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.694 3.026 -1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.117 5.946 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.714 2.585 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.125 4.047 -3.183 1.00 0.00 H new ATOM 423 N PHE A 31 2.352 4.675 0.282 1.00 0.00 N ATOM 424 CA PHE A 31 1.747 4.262 1.549 1.00 0.00 C ATOM 425 C PHE A 31 1.997 5.290 2.650 1.00 0.00 C ATOM 426 O PHE A 31 1.114 5.556 3.467 1.00 0.00 O ATOM 427 CB PHE A 31 2.247 2.890 2.014 1.00 0.00 C ATOM 428 CG PHE A 31 2.204 1.831 0.953 1.00 0.00 C ATOM 429 CD1 PHE A 31 1.000 1.453 0.387 1.00 0.00 C ATOM 430 CD2 PHE A 31 3.366 1.205 0.532 1.00 0.00 C ATOM 431 CE1 PHE A 31 0.952 0.473 -0.581 1.00 0.00 C ATOM 432 CE2 PHE A 31 3.324 0.224 -0.437 1.00 0.00 C ATOM 433 CZ PHE A 31 2.115 -0.142 -0.994 1.00 0.00 C ATOM 0 H PHE A 31 3.138 4.105 -0.030 1.00 0.00 H new ATOM 0 HA PHE A 31 0.676 4.191 1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.272 2.991 2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.645 2.564 2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.086 1.932 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.314 1.488 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.005 0.187 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.236 -0.257 -0.759 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.080 -0.910 -1.753 1.00 0.00 H new ATOM 443 N THR A 32 3.184 5.880 2.662 1.00 0.00 N ATOM 444 CA THR A 32 3.559 6.794 3.734 1.00 0.00 C ATOM 445 C THR A 32 2.954 8.189 3.538 1.00 0.00 C ATOM 446 O THR A 32 2.734 8.918 4.505 1.00 0.00 O ATOM 447 CB THR A 32 5.093 6.883 3.899 1.00 0.00 C ATOM 448 OG1 THR A 32 5.428 7.796 4.950 1.00 0.00 O ATOM 449 CG2 THR A 32 5.766 7.314 2.610 1.00 0.00 C ATOM 0 H THR A 32 3.900 5.744 1.948 1.00 0.00 H new ATOM 0 HA THR A 32 3.145 6.380 4.653 1.00 0.00 H new ATOM 0 HB THR A 32 5.456 5.888 4.155 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.402 7.842 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.844 7.366 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.545 6.591 1.825 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.393 8.295 2.315 1.00 0.00 H new ATOM 457 N LYS A 33 2.673 8.556 2.296 1.00 0.00 N ATOM 458 CA LYS A 33 2.020 9.826 2.008 1.00 0.00 C ATOM 459 C LYS A 33 0.538 9.710 2.315 1.00 0.00 C ATOM 460 O LYS A 33 -0.120 10.683 2.683 1.00 0.00 O ATOM 461 CB LYS A 33 2.249 10.220 0.538 1.00 0.00 C ATOM 462 CG LYS A 33 1.425 9.453 -0.485 1.00 0.00 C ATOM 463 CD LYS A 33 0.048 10.076 -0.711 1.00 0.00 C ATOM 464 CE LYS A 33 0.139 11.486 -1.283 1.00 0.00 C ATOM 465 NZ LYS A 33 -0.078 12.529 -0.246 1.00 0.00 N ATOM 0 H LYS A 33 2.886 7.994 1.472 1.00 0.00 H new ATOM 0 HA LYS A 33 2.448 10.608 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.034 11.283 0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.305 10.083 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.965 9.420 -1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.304 8.423 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.526 9.447 -1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.496 10.104 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.119 11.628 -1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.601 11.604 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.457 13.389 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.755 12.179 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.826 12.750 0.219 1.00 0.00 H new ATOM 479 N VAL A 34 0.039 8.495 2.183 1.00 0.00 N ATOM 480 CA VAL A 34 -1.378 8.235 2.224 1.00 0.00 C ATOM 481 C VAL A 34 -1.845 7.853 3.629 1.00 0.00 C ATOM 482 O VAL A 34 -3.023 7.995 3.965 1.00 0.00 O ATOM 483 CB VAL A 34 -1.712 7.127 1.203 1.00 0.00 C ATOM 484 CG1 VAL A 34 -2.103 5.818 1.864 1.00 0.00 C ATOM 485 CG2 VAL A 34 -2.775 7.600 0.246 1.00 0.00 C ATOM 0 H VAL A 34 0.611 7.662 2.044 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.912 9.147 1.959 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.802 6.921 0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.327 5.076 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.279 5.463 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.984 5.974 2.487 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.000 6.808 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.677 7.855 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.418 8.480 -0.289 1.00 0.00 H new ATOM 495 N GLY A 35 -0.910 7.381 4.446 1.00 0.00 N ATOM 496 CA GLY A 35 -1.234 6.997 5.806 1.00 0.00 C ATOM 497 C GLY A 35 -1.628 5.538 5.913 1.00 0.00 C ATOM 498 O GLY A 35 -2.305 5.138 6.863 1.00 0.00 O ATOM 0 H GLY A 35 0.069 7.257 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.375 7.187 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.050 7.619 6.172 1.00 0.00 H new ATOM 502 N LEU A 36 -1.200 4.739 4.942 1.00 0.00 N ATOM 503 CA LEU A 36 -1.578 3.331 4.889 1.00 0.00 C ATOM 504 C LEU A 36 -0.661 2.476 5.763 1.00 0.00 C ATOM 505 O LEU A 36 -1.024 1.369 6.159 1.00 0.00 O ATOM 506 CB LEU A 36 -1.536 2.823 3.447 1.00 0.00 C ATOM 507 CG LEU A 36 -2.482 1.662 3.137 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.929 2.129 3.197 1.00 0.00 C ATOM 509 CD2 LEU A 36 -2.172 1.070 1.774 1.00 0.00 C ATOM 0 H LEU A 36 -0.592 5.042 4.181 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.595 3.247 5.273 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.773 3.652 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.517 2.511 3.218 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.335 0.887 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.591 1.292 2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.148 2.509 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.086 2.921 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.855 0.245 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.292 1.837 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.146 0.702 1.762 1.00 0.00 H new ATOM 521 N ALA A 37 0.520 2.994 6.078 1.00 0.00 N ATOM 522 CA ALA A 37 1.504 2.236 6.849 1.00 0.00 C ATOM 523 C ALA A 37 1.177 2.266 8.337 1.00 0.00 C ATOM 524 O ALA A 37 1.726 1.491 9.121 1.00 0.00 O ATOM 525 CB ALA A 37 2.907 2.769 6.593 1.00 0.00 C ATOM 0 H ALA A 37 0.821 3.932 5.814 1.00 0.00 H new ATOM 0 HA ALA A 37 1.464 1.197 6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.627 2.193 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.143 2.679 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.957 3.817 6.888 1.00 0.00 H new ATOM 531 N ALA A 38 0.277 3.160 8.716 1.00 0.00 N ATOM 532 CA ALA A 38 -0.185 3.257 10.092 1.00 0.00 C ATOM 533 C ALA A 38 -1.660 2.878 10.176 1.00 0.00 C ATOM 534 O ALA A 38 -2.433 3.475 10.928 1.00 0.00 O ATOM 535 CB ALA A 38 0.042 4.664 10.627 1.00 0.00 C ATOM 0 H ALA A 38 -0.152 3.835 8.083 1.00 0.00 H new ATOM 0 HA ALA A 38 0.386 2.562 10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.308 4.722 11.658 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.106 4.900 10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.509 5.379 10.016 1.00 0.00 H new ATOM 541 N LYS A 39 -2.044 1.880 9.391 1.00 0.00 N ATOM 542 CA LYS A 39 -3.434 1.454 9.308 1.00 0.00 C ATOM 543 C LYS A 39 -3.742 0.295 10.241 1.00 0.00 C ATOM 544 O LYS A 39 -2.853 -0.445 10.664 1.00 0.00 O ATOM 545 CB LYS A 39 -3.782 1.066 7.876 1.00 0.00 C ATOM 546 CG LYS A 39 -4.155 2.251 7.008 1.00 0.00 C ATOM 547 CD LYS A 39 -5.378 2.955 7.568 1.00 0.00 C ATOM 548 CE LYS A 39 -5.994 3.912 6.570 1.00 0.00 C ATOM 549 NZ LYS A 39 -7.296 4.434 7.058 1.00 0.00 N ATOM 0 H LYS A 39 -1.407 1.347 8.799 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.045 2.300 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.931 0.551 7.430 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.612 0.359 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.319 2.948 6.955 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.355 1.915 5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.120 2.212 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.100 3.502 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.311 4.742 6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.137 3.404 5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.931 4.594 6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.726 3.743 7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.144 5.331 7.561 1.00 0.00 H new ATOM 563 N SER A 40 -5.025 0.156 10.547 1.00 0.00 N ATOM 564 CA SER A 40 -5.514 -0.900 11.414 1.00 0.00 C ATOM 565 C SER A 40 -5.855 -2.146 10.589 1.00 0.00 C ATOM 566 O SER A 40 -5.981 -2.054 9.365 1.00 0.00 O ATOM 567 CB SER A 40 -6.744 -0.387 12.168 1.00 0.00 C ATOM 568 OG SER A 40 -6.466 0.858 12.787 1.00 0.00 O ATOM 0 H SER A 40 -5.756 0.776 10.198 1.00 0.00 H new ATOM 0 HA SER A 40 -4.744 -1.179 12.133 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.581 -0.278 11.478 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.045 -1.115 12.921 1.00 0.00 H new ATOM 0 HG SER A 40 -7.263 1.172 13.263 1.00 0.00 H new ATOM 574 N PRO A 41 -5.997 -3.319 11.238 1.00 0.00 N ATOM 575 CA PRO A 41 -6.226 -4.601 10.548 1.00 0.00 C ATOM 576 C PRO A 41 -7.333 -4.548 9.493 1.00 0.00 C ATOM 577 O PRO A 41 -7.121 -4.958 8.355 1.00 0.00 O ATOM 578 CB PRO A 41 -6.616 -5.541 11.685 1.00 0.00 C ATOM 579 CG PRO A 41 -5.902 -4.996 12.869 1.00 0.00 C ATOM 580 CD PRO A 41 -5.927 -3.503 12.704 1.00 0.00 C ATOM 0 HA PRO A 41 -5.344 -4.910 9.987 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.695 -5.552 11.841 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.314 -6.567 11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.392 -5.296 13.795 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.879 -5.368 12.915 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.786 -3.058 13.206 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.036 -3.038 13.125 1.00 0.00 H new ATOM 588 N ALA A 42 -8.502 -4.031 9.864 1.00 0.00 N ATOM 589 CA ALA A 42 -9.646 -3.990 8.950 1.00 0.00 C ATOM 590 C ALA A 42 -9.361 -3.119 7.728 1.00 0.00 C ATOM 591 O ALA A 42 -9.810 -3.419 6.616 1.00 0.00 O ATOM 592 CB ALA A 42 -10.885 -3.493 9.674 1.00 0.00 C ATOM 0 H ALA A 42 -8.684 -3.636 10.787 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.823 -5.006 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.726 -3.468 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.116 -4.163 10.502 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.703 -2.490 10.060 1.00 0.00 H new ATOM 598 N ASP A 43 -8.601 -2.052 7.936 1.00 0.00 N ATOM 599 CA ASP A 43 -8.247 -1.136 6.862 1.00 0.00 C ATOM 600 C ASP A 43 -7.324 -1.837 5.886 1.00 0.00 C ATOM 601 O ASP A 43 -7.562 -1.854 4.681 1.00 0.00 O ATOM 602 CB ASP A 43 -7.547 0.110 7.416 1.00 0.00 C ATOM 603 CG ASP A 43 -8.460 1.008 8.229 1.00 0.00 C ATOM 604 OD1 ASP A 43 -9.000 0.545 9.255 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.610 2.194 7.862 1.00 0.00 O ATOM 0 H ASP A 43 -8.216 -1.799 8.846 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.161 -0.826 6.356 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.708 -0.201 8.039 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.132 0.683 6.586 1.00 0.00 H new ATOM 610 N ILE A 44 -6.283 -2.439 6.431 1.00 0.00 N ATOM 611 CA ILE A 44 -5.308 -3.170 5.640 1.00 0.00 C ATOM 612 C ILE A 44 -5.937 -4.422 5.012 1.00 0.00 C ATOM 613 O ILE A 44 -5.536 -4.855 3.934 1.00 0.00 O ATOM 614 CB ILE A 44 -4.082 -3.536 6.513 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.232 -2.293 6.792 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.230 -4.617 5.868 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.729 -1.599 5.543 1.00 0.00 C ATOM 0 H ILE A 44 -6.089 -2.436 7.432 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.971 -2.530 4.825 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.461 -3.930 7.456 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.821 -1.586 7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.378 -2.579 7.405 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.381 -4.844 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.829 -5.517 5.727 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.868 -4.267 4.901 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.136 -0.729 5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.112 -2.289 4.967 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.577 -1.280 4.938 1.00 0.00 H new ATOM 629 N LYS A 45 -6.951 -4.970 5.674 1.00 0.00 N ATOM 630 CA LYS A 45 -7.673 -6.134 5.166 1.00 0.00 C ATOM 631 C LYS A 45 -8.306 -5.830 3.809 1.00 0.00 C ATOM 632 O LYS A 45 -8.172 -6.600 2.849 1.00 0.00 O ATOM 633 CB LYS A 45 -8.759 -6.557 6.161 1.00 0.00 C ATOM 634 CG LYS A 45 -9.519 -7.802 5.740 1.00 0.00 C ATOM 635 CD LYS A 45 -8.633 -9.036 5.784 1.00 0.00 C ATOM 636 CE LYS A 45 -9.288 -10.217 5.091 1.00 0.00 C ATOM 637 NZ LYS A 45 -10.605 -10.558 5.687 1.00 0.00 N ATOM 0 H LYS A 45 -7.294 -4.624 6.570 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.960 -6.950 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.300 -6.734 7.134 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.465 -5.736 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.377 -7.945 6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -9.909 -7.668 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.678 -8.817 5.306 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.419 -9.294 6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.418 -9.989 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.629 -11.083 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.944 -11.456 5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.505 -10.653 6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.289 -9.804 5.473 1.00 0.00 H new ATOM 651 N LYS A 46 -8.993 -4.703 3.718 1.00 0.00 N ATOM 652 CA LYS A 46 -9.615 -4.324 2.462 1.00 0.00 C ATOM 653 C LYS A 46 -8.553 -3.851 1.476 1.00 0.00 C ATOM 654 O LYS A 46 -8.769 -3.855 0.274 1.00 0.00 O ATOM 655 CB LYS A 46 -10.709 -3.265 2.685 1.00 0.00 C ATOM 656 CG LYS A 46 -10.216 -1.913 3.197 1.00 0.00 C ATOM 657 CD LYS A 46 -9.811 -0.977 2.060 1.00 0.00 C ATOM 658 CE LYS A 46 -11.003 -0.621 1.174 1.00 0.00 C ATOM 659 NZ LYS A 46 -10.611 0.203 0.002 1.00 0.00 N ATOM 0 H LYS A 46 -9.132 -4.045 4.485 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.105 -5.197 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.236 -3.108 1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.435 -3.661 3.395 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.001 -1.443 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.364 -2.066 3.860 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.380 -0.066 2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.037 -1.450 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.481 -1.537 0.827 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.742 -0.080 1.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.418 0.786 -0.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.815 0.820 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.325 -0.420 -0.780 1.00 0.00 H new ATOM 673 N VAL A 47 -7.397 -3.457 1.992 1.00 0.00 N ATOM 674 CA VAL A 47 -6.265 -3.133 1.139 1.00 0.00 C ATOM 675 C VAL A 47 -5.747 -4.397 0.465 1.00 0.00 C ATOM 676 O VAL A 47 -5.398 -4.389 -0.721 1.00 0.00 O ATOM 677 CB VAL A 47 -5.140 -2.436 1.928 1.00 0.00 C ATOM 678 CG1 VAL A 47 -3.898 -2.256 1.067 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.631 -1.092 2.439 1.00 0.00 C ATOM 0 H VAL A 47 -7.220 -3.355 2.991 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.605 -2.434 0.375 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.869 -3.065 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.120 -1.762 1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.540 -3.231 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.143 -1.646 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.833 -0.601 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.922 -0.466 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.490 -1.243 3.092 1.00 0.00 H new ATOM 689 N PHE A 48 -5.733 -5.486 1.229 1.00 0.00 N ATOM 690 CA PHE A 48 -5.405 -6.805 0.700 1.00 0.00 C ATOM 691 C PHE A 48 -6.271 -7.126 -0.506 1.00 0.00 C ATOM 692 O PHE A 48 -5.798 -7.677 -1.500 1.00 0.00 O ATOM 693 CB PHE A 48 -5.621 -7.887 1.759 1.00 0.00 C ATOM 694 CG PHE A 48 -4.669 -7.838 2.921 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.400 -7.302 2.787 1.00 0.00 C ATOM 696 CD2 PHE A 48 -5.045 -8.361 4.147 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.527 -7.290 3.853 1.00 0.00 C ATOM 698 CE2 PHE A 48 -4.176 -8.347 5.219 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.914 -7.811 5.071 1.00 0.00 C ATOM 0 H PHE A 48 -5.947 -5.479 2.226 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.355 -6.789 0.407 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.639 -7.804 2.139 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.538 -8.863 1.281 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.091 -6.889 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.031 -8.785 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.538 -6.872 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.483 -8.755 6.171 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.230 -7.799 5.907 1.00 0.00 H new ATOM 709 N GLU A 49 -7.544 -6.781 -0.415 1.00 0.00 N ATOM 710 CA GLU A 49 -8.462 -7.047 -1.510 1.00 0.00 C ATOM 711 C GLU A 49 -8.327 -5.996 -2.616 1.00 0.00 C ATOM 712 O GLU A 49 -8.820 -6.199 -3.720 1.00 0.00 O ATOM 713 CB GLU A 49 -9.906 -7.129 -1.001 1.00 0.00 C ATOM 714 CG GLU A 49 -10.599 -5.791 -0.851 1.00 0.00 C ATOM 715 CD GLU A 49 -12.017 -5.934 -0.351 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.202 -6.308 0.828 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.955 -5.680 -1.134 1.00 0.00 O ATOM 0 H GLU A 49 -7.962 -6.322 0.394 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.199 -8.013 -1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.484 -7.748 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.909 -7.635 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.033 -5.167 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.605 -5.277 -1.812 1.00 0.00 H new ATOM 724 N ILE A 50 -7.672 -4.871 -2.326 1.00 0.00 N ATOM 725 CA ILE A 50 -7.444 -3.857 -3.354 1.00 0.00 C ATOM 726 C ILE A 50 -6.489 -4.380 -4.425 1.00 0.00 C ATOM 727 O ILE A 50 -6.788 -4.278 -5.614 1.00 0.00 O ATOM 728 CB ILE A 50 -6.885 -2.529 -2.797 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.793 -1.968 -1.711 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.757 -1.504 -3.914 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.226 -0.740 -1.038 1.00 0.00 C ATOM 0 H ILE A 50 -7.297 -4.642 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.425 -3.649 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.904 -2.734 -2.369 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.761 -1.721 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -7.969 -2.738 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.362 -0.572 -3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.080 -1.883 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.737 -1.322 -4.355 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.921 -0.390 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.271 -0.988 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.076 0.045 -1.779 1.00 0.00 H new ATOM 743 N ILE A 51 -5.342 -4.951 -4.012 1.00 0.00 N ATOM 744 CA ILE A 51 -4.406 -5.517 -4.995 1.00 0.00 C ATOM 745 C ILE A 51 -5.091 -6.645 -5.729 1.00 0.00 C ATOM 746 O ILE A 51 -4.918 -6.826 -6.935 1.00 0.00 O ATOM 747 CB ILE A 51 -3.057 -6.036 -4.408 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.265 -6.794 -3.082 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.082 -4.886 -4.239 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.094 -5.933 -1.846 1.00 0.00 C ATOM 0 H ILE A 51 -5.049 -5.031 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.139 -4.693 -5.657 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.633 -6.748 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.266 -7.226 -3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.559 -7.623 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.144 -5.261 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.894 -4.423 -5.208 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.506 -4.147 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.256 -6.539 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.085 -5.522 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.818 -5.118 -1.867 1.00 0.00 H new ATOM 762 N ASP A 52 -5.901 -7.387 -4.997 1.00 0.00 N ATOM 763 CA ASP A 52 -6.672 -8.451 -5.586 1.00 0.00 C ATOM 764 C ASP A 52 -7.953 -7.874 -6.186 1.00 0.00 C ATOM 765 O ASP A 52 -9.048 -8.189 -5.722 1.00 0.00 O ATOM 766 CB ASP A 52 -7.038 -9.507 -4.540 1.00 0.00 C ATOM 767 CG ASP A 52 -7.474 -10.814 -5.177 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.299 -10.979 -6.410 1.00 0.00 O ATOM 769 OD2 ASP A 52 -7.999 -11.682 -4.462 1.00 0.00 O ATOM 0 H ASP A 52 -6.038 -7.268 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.071 -8.924 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.180 -9.688 -3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.840 -9.127 -3.907 1.00 0.00 H new ATOM 774 N GLN A 53 -7.819 -7.027 -7.210 1.00 0.00 N ATOM 775 CA GLN A 53 -8.971 -6.316 -7.774 1.00 0.00 C ATOM 776 C GLN A 53 -10.037 -7.299 -8.248 1.00 0.00 C ATOM 777 O GLN A 53 -11.234 -7.003 -8.238 1.00 0.00 O ATOM 778 CB GLN A 53 -8.549 -5.416 -8.943 1.00 0.00 C ATOM 779 CG GLN A 53 -8.175 -6.180 -10.204 1.00 0.00 C ATOM 780 CD GLN A 53 -8.184 -5.307 -11.440 1.00 0.00 C ATOM 781 OE1 GLN A 53 -8.909 -4.316 -11.503 1.00 0.00 O ATOM 782 NE2 GLN A 53 -7.420 -5.692 -12.450 1.00 0.00 N ATOM 0 H GLN A 53 -6.930 -6.817 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.387 -5.692 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.364 -4.730 -9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.699 -4.808 -8.633 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.184 -6.616 -10.079 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.872 -7.007 -10.343 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.832 -6.521 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.419 -5.160 -13.320 1.00 0.00 H new ATOM 791 N ASP A 54 -9.581 -8.466 -8.669 1.00 0.00 N ATOM 792 CA ASP A 54 -10.479 -9.525 -9.140 1.00 0.00 C ATOM 793 C ASP A 54 -11.093 -10.307 -7.979 1.00 0.00 C ATOM 794 O ASP A 54 -12.126 -10.957 -8.143 1.00 0.00 O ATOM 795 CB ASP A 54 -9.739 -10.492 -10.069 1.00 0.00 C ATOM 796 CG ASP A 54 -9.386 -9.876 -11.404 1.00 0.00 C ATOM 797 OD1 ASP A 54 -10.307 -9.447 -12.128 1.00 0.00 O ATOM 798 OD2 ASP A 54 -8.189 -9.821 -11.742 1.00 0.00 O ATOM 0 H ASP A 54 -8.591 -8.712 -8.697 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.284 -9.037 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.826 -10.831 -9.579 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.358 -11.374 -10.234 1.00 0.00 H new ATOM 803 N LYS A 55 -10.461 -10.221 -6.809 1.00 0.00 N ATOM 804 CA LYS A 55 -10.936 -10.895 -5.595 1.00 0.00 C ATOM 805 C LYS A 55 -11.002 -12.416 -5.789 1.00 0.00 C ATOM 806 O LYS A 55 -12.077 -13.014 -5.740 1.00 0.00 O ATOM 807 CB LYS A 55 -12.308 -10.348 -5.177 1.00 0.00 C ATOM 808 CG LYS A 55 -12.677 -10.645 -3.730 1.00 0.00 C ATOM 809 CD LYS A 55 -11.832 -9.832 -2.761 1.00 0.00 C ATOM 810 CE LYS A 55 -12.167 -10.154 -1.313 1.00 0.00 C ATOM 811 NZ LYS A 55 -11.731 -11.521 -0.929 1.00 0.00 N ATOM 0 H LYS A 55 -9.605 -9.683 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.220 -10.690 -4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.320 -9.269 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.071 -10.771 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.732 -10.423 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.541 -11.708 -3.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.776 -10.032 -2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.991 -8.769 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.688 -9.424 -0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.242 -10.061 -1.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.839 -11.644 0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.315 -12.224 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.733 -11.653 -1.191 1.00 0.00 H new ATOM 825 N SER A 56 -9.850 -13.038 -6.012 1.00 0.00 N ATOM 826 CA SER A 56 -9.800 -14.476 -6.263 1.00 0.00 C ATOM 827 C SER A 56 -8.688 -15.139 -5.450 1.00 0.00 C ATOM 828 O SER A 56 -8.302 -16.274 -5.727 1.00 0.00 O ATOM 829 CB SER A 56 -9.569 -14.740 -7.749 1.00 0.00 C ATOM 830 OG SER A 56 -10.161 -13.726 -8.547 1.00 0.00 O ATOM 0 H SER A 56 -8.942 -12.573 -6.024 1.00 0.00 H new ATOM 0 HA SER A 56 -10.755 -14.903 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.499 -14.787 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.988 -15.710 -8.018 1.00 0.00 H new ATOM 0 HG SER A 56 -9.997 -13.918 -9.494 1.00 0.00 H new ATOM 836 N ASP A 57 -8.157 -14.398 -4.476 1.00 0.00 N ATOM 837 CA ASP A 57 -7.102 -14.879 -3.566 1.00 0.00 C ATOM 838 C ASP A 57 -5.740 -14.947 -4.272 1.00 0.00 C ATOM 839 O ASP A 57 -4.716 -15.242 -3.657 1.00 0.00 O ATOM 840 CB ASP A 57 -7.475 -16.244 -2.967 1.00 0.00 C ATOM 841 CG ASP A 57 -6.603 -16.627 -1.789 1.00 0.00 C ATOM 842 OD1 ASP A 57 -6.781 -16.037 -0.702 1.00 0.00 O ATOM 843 OD2 ASP A 57 -5.752 -17.529 -1.931 1.00 0.00 O ATOM 0 H ASP A 57 -8.446 -13.438 -4.290 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.017 -14.160 -2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.518 -16.224 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.392 -17.009 -3.739 1.00 0.00 H new ATOM 848 N PHE A 58 -5.734 -14.635 -5.559 1.00 0.00 N ATOM 849 CA PHE A 58 -4.500 -14.520 -6.327 1.00 0.00 C ATOM 850 C PHE A 58 -4.390 -13.100 -6.853 1.00 0.00 C ATOM 851 O PHE A 58 -5.389 -12.525 -7.276 1.00 0.00 O ATOM 852 CB PHE A 58 -4.481 -15.506 -7.497 1.00 0.00 C ATOM 853 CG PHE A 58 -4.512 -16.950 -7.085 1.00 0.00 C ATOM 854 CD1 PHE A 58 -3.342 -17.615 -6.755 1.00 0.00 C ATOM 855 CD2 PHE A 58 -5.710 -17.642 -7.033 1.00 0.00 C ATOM 856 CE1 PHE A 58 -3.367 -18.944 -6.381 1.00 0.00 C ATOM 857 CE2 PHE A 58 -5.741 -18.971 -6.660 1.00 0.00 C ATOM 858 CZ PHE A 58 -4.569 -19.622 -6.332 1.00 0.00 C ATOM 0 H PHE A 58 -6.580 -14.455 -6.100 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.656 -14.755 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.337 -15.305 -8.141 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.585 -15.329 -8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.400 -17.088 -6.791 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.630 -17.137 -7.287 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.448 -19.452 -6.127 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.682 -19.501 -6.625 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.592 -20.661 -6.037 1.00 0.00 H new ATOM 868 N VAL A 59 -3.201 -12.523 -6.810 1.00 0.00 N ATOM 869 CA VAL A 59 -3.021 -11.121 -7.180 1.00 0.00 C ATOM 870 C VAL A 59 -1.888 -10.951 -8.198 1.00 0.00 C ATOM 871 O VAL A 59 -0.742 -10.720 -7.821 1.00 0.00 O ATOM 872 CB VAL A 59 -2.724 -10.268 -5.933 1.00 0.00 C ATOM 873 CG1 VAL A 59 -2.635 -8.811 -6.284 1.00 0.00 C ATOM 874 CG2 VAL A 59 -3.761 -10.498 -4.847 1.00 0.00 C ATOM 0 H VAL A 59 -2.345 -12.999 -6.524 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.950 -10.783 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.756 -10.582 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.425 -8.232 -5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.835 -8.660 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.581 -8.482 -6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.523 -9.881 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.748 -10.229 -5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.757 -11.549 -4.557 1.00 0.00 H new ATOM 884 N GLU A 60 -2.210 -11.050 -9.485 1.00 0.00 N ATOM 885 CA GLU A 60 -1.192 -10.973 -10.534 1.00 0.00 C ATOM 886 C GLU A 60 -0.938 -9.513 -10.946 1.00 0.00 C ATOM 887 O GLU A 60 -1.654 -8.615 -10.504 1.00 0.00 O ATOM 888 CB GLU A 60 -1.619 -11.816 -11.744 1.00 0.00 C ATOM 889 CG GLU A 60 -0.467 -12.228 -12.651 1.00 0.00 C ATOM 890 CD GLU A 60 -0.920 -13.045 -13.846 1.00 0.00 C ATOM 891 OE1 GLU A 60 -1.104 -14.268 -13.704 1.00 0.00 O ATOM 892 OE2 GLU A 60 -1.088 -12.467 -14.938 1.00 0.00 O ATOM 0 H GLU A 60 -3.162 -11.183 -9.827 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.258 -11.375 -10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.126 -12.713 -11.388 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.344 -11.251 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.049 -11.335 -13.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.254 -12.807 -12.074 1.00 0.00 H new ATOM 899 N GLU A 61 0.068 -9.279 -11.789 1.00 0.00 N ATOM 900 CA GLU A 61 0.470 -7.919 -12.171 1.00 0.00 C ATOM 901 C GLU A 61 -0.679 -7.130 -12.795 1.00 0.00 C ATOM 902 O GLU A 61 -0.877 -5.958 -12.469 1.00 0.00 O ATOM 903 CB GLU A 61 1.651 -7.960 -13.145 1.00 0.00 C ATOM 904 CG GLU A 61 2.181 -6.580 -13.510 1.00 0.00 C ATOM 905 CD GLU A 61 3.447 -6.632 -14.343 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.403 -7.180 -15.461 1.00 0.00 O ATOM 907 OE2 GLU A 61 4.490 -6.108 -13.892 1.00 0.00 O ATOM 0 H GLU A 61 0.624 -10.016 -12.224 1.00 0.00 H new ATOM 0 HA GLU A 61 0.768 -7.410 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.457 -8.546 -12.703 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.344 -8.476 -14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.413 -6.036 -14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.377 -6.019 -12.596 1.00 0.00 H new ATOM 914 N ASP A 62 -1.436 -7.770 -13.686 1.00 0.00 N ATOM 915 CA ASP A 62 -2.566 -7.110 -14.346 1.00 0.00 C ATOM 916 C ASP A 62 -3.543 -6.556 -13.322 1.00 0.00 C ATOM 917 O ASP A 62 -4.195 -5.537 -13.556 1.00 0.00 O ATOM 918 CB ASP A 62 -3.301 -8.070 -15.285 1.00 0.00 C ATOM 919 CG ASP A 62 -2.518 -8.373 -16.543 1.00 0.00 C ATOM 920 OD1 ASP A 62 -2.396 -7.479 -17.407 1.00 0.00 O ATOM 921 OD2 ASP A 62 -2.012 -9.505 -16.671 1.00 0.00 O ATOM 0 H ASP A 62 -1.290 -8.739 -13.967 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.160 -6.288 -14.935 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.506 -9.001 -14.757 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.264 -7.639 -15.557 1.00 0.00 H new ATOM 926 N GLU A 63 -3.625 -7.222 -12.178 1.00 0.00 N ATOM 927 CA GLU A 63 -4.470 -6.761 -11.098 1.00 0.00 C ATOM 928 C GLU A 63 -3.913 -5.499 -10.484 1.00 0.00 C ATOM 929 O GLU A 63 -4.661 -4.587 -10.188 1.00 0.00 O ATOM 930 CB GLU A 63 -4.646 -7.839 -10.037 1.00 0.00 C ATOM 931 CG GLU A 63 -5.597 -8.922 -10.488 1.00 0.00 C ATOM 932 CD GLU A 63 -5.961 -9.884 -9.396 1.00 0.00 C ATOM 933 OE1 GLU A 63 -6.918 -9.639 -8.649 1.00 0.00 O ATOM 934 OE2 GLU A 63 -5.325 -10.933 -9.262 1.00 0.00 O ATOM 0 H GLU A 63 -3.115 -8.082 -11.979 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.451 -6.537 -11.516 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.677 -8.281 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.020 -7.387 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.506 -8.460 -10.874 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.145 -9.473 -11.312 1.00 0.00 H new ATOM 941 N LEU A 64 -2.600 -5.433 -10.332 1.00 0.00 N ATOM 942 CA LEU A 64 -1.964 -4.250 -9.772 1.00 0.00 C ATOM 943 C LEU A 64 -2.039 -3.070 -10.721 1.00 0.00 C ATOM 944 O LEU A 64 -1.863 -1.924 -10.317 1.00 0.00 O ATOM 945 CB LEU A 64 -0.528 -4.515 -9.378 1.00 0.00 C ATOM 946 CG LEU A 64 -0.374 -4.950 -7.932 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.588 -6.445 -7.790 1.00 0.00 C ATOM 948 CD2 LEU A 64 0.972 -4.512 -7.404 1.00 0.00 C ATOM 0 H LEU A 64 -1.955 -6.181 -10.587 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.521 -3.998 -8.870 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.116 -5.287 -10.028 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.060 -3.612 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.142 -4.466 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.472 -6.731 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.592 -6.703 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.146 -6.977 -8.395 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.076 -4.827 -6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.763 -4.966 -8.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.050 -3.426 -7.463 1.00 0.00 H new ATOM 960 N LYS A 65 -2.282 -3.344 -11.985 1.00 0.00 N ATOM 961 CA LYS A 65 -2.495 -2.278 -12.941 1.00 0.00 C ATOM 962 C LYS A 65 -3.768 -1.520 -12.606 1.00 0.00 C ATOM 963 O LYS A 65 -3.783 -0.295 -12.566 1.00 0.00 O ATOM 964 CB LYS A 65 -2.560 -2.827 -14.373 1.00 0.00 C ATOM 965 CG LYS A 65 -1.250 -2.695 -15.141 1.00 0.00 C ATOM 966 CD LYS A 65 -0.110 -3.412 -14.435 1.00 0.00 C ATOM 967 CE LYS A 65 1.223 -3.226 -15.154 1.00 0.00 C ATOM 968 NZ LYS A 65 1.192 -3.729 -16.553 1.00 0.00 N ATOM 0 H LYS A 65 -2.337 -4.286 -12.372 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.650 -1.592 -12.881 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.845 -3.878 -14.337 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.345 -2.303 -14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.373 -3.105 -16.143 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.001 -1.640 -15.257 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.025 -3.039 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.339 -4.476 -14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.485 -2.168 -15.158 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.005 -3.746 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.152 -3.705 -16.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.838 -4.707 -16.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.564 -3.128 -17.124 1.00 0.00 H new ATOM 982 N LEU A 66 -4.845 -2.251 -12.388 1.00 0.00 N ATOM 983 CA LEU A 66 -6.125 -1.622 -12.120 1.00 0.00 C ATOM 984 C LEU A 66 -6.514 -1.684 -10.644 1.00 0.00 C ATOM 985 O LEU A 66 -7.593 -1.226 -10.258 1.00 0.00 O ATOM 986 CB LEU A 66 -7.179 -2.231 -13.028 1.00 0.00 C ATOM 987 CG LEU A 66 -6.780 -2.197 -14.503 1.00 0.00 C ATOM 988 CD1 LEU A 66 -7.892 -2.727 -15.385 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.386 -0.782 -14.908 1.00 0.00 C ATOM 0 H LEU A 66 -4.860 -3.271 -12.391 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.044 -0.558 -12.343 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.358 -3.264 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.119 -1.694 -12.898 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.917 -2.849 -14.640 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.578 -2.690 -16.428 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.115 -3.758 -15.110 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.784 -2.115 -15.253 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.104 -0.770 -15.961 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.230 -0.110 -14.751 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.542 -0.452 -14.302 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.628 -2.225 -9.811 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.869 -2.250 -8.369 1.00 0.00 C ATOM 1003 C PHE A 67 -5.861 -0.809 -7.872 1.00 0.00 C ATOM 1004 O PHE A 67 -6.491 -0.455 -6.880 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.813 -3.102 -7.632 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.744 -2.337 -6.879 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -2.632 -1.838 -7.530 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -3.852 -2.136 -5.511 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -1.651 -1.154 -6.838 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -2.876 -1.454 -4.814 1.00 0.00 C ATOM 1011 CZ PHE A 67 -1.773 -0.961 -5.479 1.00 0.00 C ATOM 0 H PHE A 67 -4.747 -2.647 -10.104 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.834 -2.714 -8.163 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -5.329 -3.753 -6.927 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.323 -3.747 -8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.528 -1.985 -8.595 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.713 -2.519 -4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.788 -0.770 -7.362 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.976 -1.306 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.008 -0.426 -4.937 1.00 0.00 H new ATOM 1021 N LEU A 68 -5.144 0.019 -8.623 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.065 1.445 -8.367 1.00 0.00 C ATOM 1023 C LEU A 68 -6.408 2.091 -8.630 1.00 0.00 C ATOM 1024 O LEU A 68 -6.836 2.981 -7.901 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.014 2.067 -9.281 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.704 1.290 -9.377 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.129 1.413 -10.774 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -1.705 1.786 -8.341 1.00 0.00 C ATOM 0 H LEU A 68 -4.600 -0.286 -9.430 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.788 1.608 -7.326 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.436 2.165 -10.281 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.797 3.075 -8.927 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.907 0.239 -9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.194 0.855 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.839 1.009 -11.496 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.940 2.463 -10.999 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.779 1.218 -8.428 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.500 2.843 -8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.120 1.653 -7.342 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.072 1.621 -9.678 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.399 2.100 -10.026 1.00 0.00 C ATOM 1042 C GLN A 69 -9.410 1.642 -8.986 1.00 0.00 C ATOM 1043 O GLN A 69 -10.512 2.182 -8.893 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.792 1.608 -11.418 1.00 0.00 C ATOM 1045 CG GLN A 69 -7.976 2.246 -12.530 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.346 3.700 -12.778 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -8.771 4.416 -11.872 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -8.192 4.142 -14.015 1.00 0.00 N ATOM 0 H GLN A 69 -6.708 0.903 -10.305 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.389 3.190 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.670 0.526 -11.462 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.849 1.817 -11.585 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.917 2.184 -12.278 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.119 1.678 -13.450 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.837 3.518 -14.739 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -8.429 5.107 -14.245 1.00 0.00 H new ATOM 1057 N ASN A 70 -9.022 0.644 -8.200 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.836 0.213 -7.069 1.00 0.00 C ATOM 1059 C ASN A 70 -9.601 1.156 -5.897 1.00 0.00 C ATOM 1060 O ASN A 70 -10.538 1.554 -5.203 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.501 -1.227 -6.661 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.346 -1.716 -5.495 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -9.995 -1.525 -4.330 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -11.461 -2.359 -5.800 1.00 0.00 N ATOM 0 H ASN A 70 -8.155 0.121 -8.323 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.885 0.240 -7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.651 -1.887 -7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.447 -1.288 -6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.063 -2.716 -5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.719 -2.498 -6.777 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.336 1.521 -5.703 1.00 0.00 N ATOM 1072 CA PHE A 71 -7.951 2.473 -4.668 1.00 0.00 C ATOM 1073 C PHE A 71 -8.602 3.829 -4.926 1.00 0.00 C ATOM 1074 O PHE A 71 -9.192 4.429 -4.031 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.427 2.630 -4.634 1.00 0.00 C ATOM 1076 CG PHE A 71 -5.807 2.304 -3.305 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.271 2.901 -2.144 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -4.752 1.411 -3.218 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -5.696 2.611 -0.921 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.174 1.115 -1.998 1.00 0.00 C ATOM 1081 CZ PHE A 71 -4.646 1.718 -0.849 1.00 0.00 C ATOM 0 H PHE A 71 -7.555 1.167 -6.255 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.293 2.093 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.989 1.985 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.172 3.656 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.092 3.601 -2.195 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.376 0.940 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.068 3.082 -0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.355 0.413 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.194 1.491 0.105 1.00 0.00 H new ATOM 1091 N SER A 72 -8.487 4.297 -6.158 1.00 0.00 N ATOM 1092 CA SER A 72 -9.092 5.550 -6.570 1.00 0.00 C ATOM 1093 C SER A 72 -9.517 5.454 -8.029 1.00 0.00 C ATOM 1094 O SER A 72 -8.778 4.936 -8.862 1.00 0.00 O ATOM 1095 CB SER A 72 -8.107 6.708 -6.380 1.00 0.00 C ATOM 1096 OG SER A 72 -8.673 7.942 -6.791 1.00 0.00 O ATOM 0 H SER A 72 -7.973 3.819 -6.898 1.00 0.00 H new ATOM 0 HA SER A 72 -9.969 5.742 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.815 6.771 -5.332 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.200 6.514 -6.952 1.00 0.00 H new ATOM 0 HG SER A 72 -9.644 7.917 -6.658 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.703 5.962 -8.332 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.254 5.877 -9.679 1.00 0.00 C ATOM 1104 C ALA A 73 -10.599 6.882 -10.622 1.00 0.00 C ATOM 1105 O ALA A 73 -10.933 6.943 -11.806 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.758 6.077 -9.644 1.00 0.00 C ATOM 0 H ALA A 73 -11.305 6.439 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.038 4.881 -10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.157 6.011 -10.656 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.213 5.305 -9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.985 7.058 -9.227 1.00 0.00 H new ATOM 1112 N GLY A 74 -9.688 7.684 -10.089 1.00 0.00 N ATOM 1113 CA GLY A 74 -8.961 8.633 -10.908 1.00 0.00 C ATOM 1114 C GLY A 74 -7.469 8.368 -10.893 1.00 0.00 C ATOM 1115 O GLY A 74 -6.662 9.286 -11.050 1.00 0.00 O ATOM 0 H GLY A 74 -9.439 7.694 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.328 8.583 -11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.153 9.644 -10.549 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.102 7.109 -10.702 1.00 0.00 N ATOM 1120 CA ALA A 75 -5.702 6.725 -10.610 1.00 0.00 C ATOM 1121 C ALA A 75 -5.145 6.344 -11.976 1.00 0.00 C ATOM 1122 O ALA A 75 -5.892 6.020 -12.897 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.543 5.570 -9.634 1.00 0.00 C ATOM 0 H ALA A 75 -7.758 6.334 -10.607 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.136 7.582 -10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.492 5.289 -9.571 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.897 5.875 -8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.126 4.717 -9.981 1.00 0.00 H new ATOM 1129 N ARG A 76 -3.827 6.397 -12.103 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.161 6.020 -13.335 1.00 0.00 C ATOM 1131 C ARG A 76 -2.552 4.638 -13.180 1.00 0.00 C ATOM 1132 O ARG A 76 -2.056 4.297 -12.109 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.067 7.030 -13.692 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.550 8.471 -13.754 1.00 0.00 C ATOM 1135 CD ARG A 76 -3.721 8.632 -14.711 1.00 0.00 C ATOM 1136 NE ARG A 76 -4.157 10.021 -14.812 1.00 0.00 N ATOM 1137 CZ ARG A 76 -5.331 10.400 -15.313 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -6.184 9.493 -15.777 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -5.650 11.686 -15.350 1.00 0.00 N ATOM 0 H ARG A 76 -3.197 6.700 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.896 6.010 -14.140 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.266 6.958 -12.956 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.638 6.760 -14.657 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.847 8.798 -12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.730 9.116 -14.070 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.435 8.269 -15.698 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.553 8.014 -14.373 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.523 10.747 -14.478 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.940 8.503 -15.750 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.082 9.787 -16.160 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.996 12.384 -14.995 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.549 11.978 -15.734 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.591 3.845 -14.241 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.056 2.494 -14.192 1.00 0.00 C ATOM 1155 C ALA A 77 -0.535 2.510 -14.226 1.00 0.00 C ATOM 1156 O ALA A 77 0.075 2.984 -15.186 1.00 0.00 O ATOM 1157 CB ALA A 77 -2.601 1.655 -15.337 1.00 0.00 C ATOM 0 H ALA A 77 -2.986 4.113 -15.142 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.374 2.043 -13.252 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.187 0.648 -15.280 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.688 1.605 -15.266 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.320 2.109 -16.287 1.00 0.00 H new ATOM 1163 N LEU A 78 0.064 2.000 -13.161 1.00 0.00 N ATOM 1164 CA LEU A 78 1.511 1.877 -13.062 1.00 0.00 C ATOM 1165 C LEU A 78 2.013 0.877 -14.092 1.00 0.00 C ATOM 1166 O LEU A 78 1.282 -0.037 -14.482 1.00 0.00 O ATOM 1167 CB LEU A 78 1.908 1.435 -11.648 1.00 0.00 C ATOM 1168 CG LEU A 78 2.008 2.548 -10.589 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.835 3.514 -10.662 1.00 0.00 C ATOM 1170 CD2 LEU A 78 2.085 1.934 -9.200 1.00 0.00 C ATOM 0 H LEU A 78 -0.438 1.660 -12.341 1.00 0.00 H new ATOM 0 HA LEU A 78 1.967 2.847 -13.261 1.00 0.00 H new ATOM 0 HB2 LEU A 78 1.182 0.699 -11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.872 0.930 -11.705 1.00 0.00 H new ATOM 0 HG LEU A 78 2.915 3.116 -10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.948 4.282 -9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.810 3.983 -11.646 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.095 2.970 -10.496 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.156 2.727 -8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.190 1.340 -9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.965 1.294 -9.133 1.00 0.00 H new ATOM 1182 N SER A 79 3.251 1.040 -14.535 1.00 0.00 N ATOM 1183 CA SER A 79 3.773 0.216 -15.616 1.00 0.00 C ATOM 1184 C SER A 79 5.255 -0.079 -15.438 1.00 0.00 C ATOM 1185 O SER A 79 5.938 0.559 -14.632 1.00 0.00 O ATOM 1186 CB SER A 79 3.553 0.915 -16.962 1.00 0.00 C ATOM 1187 OG SER A 79 2.191 1.271 -17.137 1.00 0.00 O ATOM 0 H SER A 79 3.908 1.728 -14.167 1.00 0.00 H new ATOM 0 HA SER A 79 3.233 -0.731 -15.594 1.00 0.00 H new ATOM 0 HB2 SER A 79 4.175 1.808 -17.017 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.867 0.257 -17.772 1.00 0.00 H new ATOM 0 HG SER A 79 2.078 1.717 -18.002 1.00 0.00 H new ATOM 1193 N ASP A 80 5.724 -1.074 -16.188 1.00 0.00 N ATOM 1194 CA ASP A 80 7.144 -1.404 -16.286 1.00 0.00 C ATOM 1195 C ASP A 80 7.767 -1.692 -14.930 1.00 0.00 C ATOM 1196 O ASP A 80 7.215 -2.460 -14.133 1.00 0.00 O ATOM 1197 CB ASP A 80 7.913 -0.289 -17.006 1.00 0.00 C ATOM 1198 CG ASP A 80 7.552 -0.187 -18.473 1.00 0.00 C ATOM 1199 OD1 ASP A 80 7.803 -1.158 -19.220 1.00 0.00 O ATOM 1200 OD2 ASP A 80 7.030 0.866 -18.894 1.00 0.00 O ATOM 0 H ASP A 80 5.124 -1.679 -16.749 1.00 0.00 H new ATOM 0 HA ASP A 80 7.217 -2.319 -16.873 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.707 0.663 -16.518 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.983 -0.471 -16.911 1.00 0.00 H new ATOM 1205 N ALA A 81 8.910 -1.068 -14.675 1.00 0.00 N ATOM 1206 CA ALA A 81 9.730 -1.394 -13.523 1.00 0.00 C ATOM 1207 C ALA A 81 9.010 -1.137 -12.208 1.00 0.00 C ATOM 1208 O ALA A 81 9.303 -1.790 -11.208 1.00 0.00 O ATOM 1209 CB ALA A 81 11.038 -0.621 -13.569 1.00 0.00 C ATOM 0 H ALA A 81 9.291 -0.325 -15.261 1.00 0.00 H new ATOM 0 HA ALA A 81 9.941 -2.462 -13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.642 -0.876 -12.698 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.582 -0.880 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.829 0.449 -13.565 1.00 0.00 H new ATOM 1215 N GLU A 82 8.060 -0.207 -12.211 1.00 0.00 N ATOM 1216 CA GLU A 82 7.327 0.113 -11.004 1.00 0.00 C ATOM 1217 C GLU A 82 6.536 -1.097 -10.545 1.00 0.00 C ATOM 1218 O GLU A 82 6.848 -1.682 -9.519 1.00 0.00 O ATOM 1219 CB GLU A 82 6.405 1.314 -11.238 1.00 0.00 C ATOM 1220 CG GLU A 82 5.350 1.502 -10.160 1.00 0.00 C ATOM 1221 CD GLU A 82 5.919 1.794 -8.777 1.00 0.00 C ATOM 1222 OE1 GLU A 82 6.558 0.902 -8.187 1.00 0.00 O ATOM 1223 OE2 GLU A 82 5.710 2.910 -8.266 1.00 0.00 O ATOM 0 H GLU A 82 7.785 0.332 -13.033 1.00 0.00 H new ATOM 0 HA GLU A 82 8.035 0.382 -10.220 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.011 2.218 -11.300 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.909 1.196 -12.201 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.691 2.320 -10.450 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.737 0.603 -10.106 1.00 0.00 H new ATOM 1230 N THR A 83 5.560 -1.508 -11.339 1.00 0.00 N ATOM 1231 CA THR A 83 4.697 -2.610 -10.958 1.00 0.00 C ATOM 1232 C THR A 83 5.501 -3.889 -10.760 1.00 0.00 C ATOM 1233 O THR A 83 5.167 -4.710 -9.917 1.00 0.00 O ATOM 1234 CB THR A 83 3.614 -2.851 -12.018 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.297 -1.611 -12.659 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.356 -3.423 -11.382 1.00 0.00 C ATOM 0 H THR A 83 5.348 -1.096 -12.247 1.00 0.00 H new ATOM 0 HA THR A 83 4.220 -2.339 -10.016 1.00 0.00 H new ATOM 0 HB THR A 83 3.993 -3.566 -12.748 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.606 -1.761 -13.338 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.601 -3.586 -12.151 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.592 -4.371 -10.898 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.972 -2.722 -10.640 1.00 0.00 H new ATOM 1244 N LYS A 84 6.582 -4.034 -11.517 1.00 0.00 N ATOM 1245 CA LYS A 84 7.394 -5.242 -11.461 1.00 0.00 C ATOM 1246 C LYS A 84 8.128 -5.347 -10.122 1.00 0.00 C ATOM 1247 O LYS A 84 8.054 -6.373 -9.439 1.00 0.00 O ATOM 1248 CB LYS A 84 8.392 -5.256 -12.619 1.00 0.00 C ATOM 1249 CG LYS A 84 9.124 -6.580 -12.791 1.00 0.00 C ATOM 1250 CD LYS A 84 8.179 -7.732 -13.131 1.00 0.00 C ATOM 1251 CE LYS A 84 7.776 -7.755 -14.606 1.00 0.00 C ATOM 1252 NZ LYS A 84 6.914 -6.604 -14.998 1.00 0.00 N ATOM 0 H LYS A 84 6.916 -3.331 -12.176 1.00 0.00 H new ATOM 0 HA LYS A 84 6.734 -6.105 -11.552 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.863 -5.022 -13.543 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.125 -4.465 -12.462 1.00 0.00 H new ATOM 0 HG2 LYS A 84 9.868 -6.480 -13.581 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.663 -6.815 -11.873 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.659 -8.677 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 84 7.283 -7.654 -12.516 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.675 -7.753 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.247 -8.685 -14.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.354 -6.859 -15.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.274 -6.366 -14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.512 -5.782 -15.219 1.00 0.00 H new ATOM 1266 N VAL A 85 8.831 -4.286 -9.743 1.00 0.00 N ATOM 1267 CA VAL A 85 9.553 -4.268 -8.476 1.00 0.00 C ATOM 1268 C VAL A 85 8.567 -4.182 -7.312 1.00 0.00 C ATOM 1269 O VAL A 85 8.763 -4.797 -6.263 1.00 0.00 O ATOM 1270 CB VAL A 85 10.553 -3.091 -8.408 1.00 0.00 C ATOM 1271 CG1 VAL A 85 11.239 -3.030 -7.050 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.587 -3.209 -9.518 1.00 0.00 C ATOM 0 H VAL A 85 8.916 -3.431 -10.292 1.00 0.00 H new ATOM 0 HA VAL A 85 10.121 -5.195 -8.404 1.00 0.00 H new ATOM 0 HB VAL A 85 9.993 -2.166 -8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.936 -2.192 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.490 -2.895 -6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.782 -3.958 -6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.284 -2.373 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.133 -4.146 -9.408 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.085 -3.193 -10.486 1.00 0.00 H new ATOM 1282 N PHE A 86 7.494 -3.434 -7.528 1.00 0.00 N ATOM 1283 CA PHE A 86 6.438 -3.279 -6.541 1.00 0.00 C ATOM 1284 C PHE A 86 5.771 -4.626 -6.255 1.00 0.00 C ATOM 1285 O PHE A 86 5.395 -4.908 -5.119 1.00 0.00 O ATOM 1286 CB PHE A 86 5.423 -2.242 -7.041 1.00 0.00 C ATOM 1287 CG PHE A 86 4.276 -1.972 -6.110 1.00 0.00 C ATOM 1288 CD1 PHE A 86 4.478 -1.859 -4.745 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.995 -1.812 -6.608 1.00 0.00 C ATOM 1290 CE1 PHE A 86 3.425 -1.593 -3.896 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.935 -1.548 -5.762 1.00 0.00 C ATOM 1292 CZ PHE A 86 2.151 -1.439 -4.403 1.00 0.00 C ATOM 0 H PHE A 86 7.332 -2.918 -8.393 1.00 0.00 H new ATOM 0 HA PHE A 86 6.863 -2.922 -5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.947 -1.305 -7.228 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.023 -2.580 -7.997 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.472 -1.981 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.822 -1.894 -7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.597 -1.505 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.940 -1.427 -6.163 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.325 -1.234 -3.738 1.00 0.00 H new ATOM 1302 N LEU A 87 5.647 -5.462 -7.283 1.00 0.00 N ATOM 1303 CA LEU A 87 5.168 -6.825 -7.096 1.00 0.00 C ATOM 1304 C LEU A 87 6.101 -7.589 -6.179 1.00 0.00 C ATOM 1305 O LEU A 87 5.663 -8.229 -5.235 1.00 0.00 O ATOM 1306 CB LEU A 87 5.065 -7.577 -8.422 1.00 0.00 C ATOM 1307 CG LEU A 87 3.877 -7.216 -9.308 1.00 0.00 C ATOM 1308 CD1 LEU A 87 4.007 -7.912 -10.649 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.565 -7.599 -8.639 1.00 0.00 C ATOM 0 H LEU A 87 5.871 -5.220 -8.248 1.00 0.00 H new ATOM 0 HA LEU A 87 4.174 -6.756 -6.653 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.980 -7.402 -8.987 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.021 -8.645 -8.208 1.00 0.00 H new ATOM 0 HG LEU A 87 3.874 -6.137 -9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.156 -7.651 -11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.929 -7.595 -11.136 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.029 -8.991 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.733 -7.332 -9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.551 -8.673 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.470 -7.067 -7.692 1.00 0.00 H new ATOM 1321 N LYS A 88 7.396 -7.505 -6.448 1.00 0.00 N ATOM 1322 CA LYS A 88 8.372 -8.257 -5.672 1.00 0.00 C ATOM 1323 C LYS A 88 8.501 -7.728 -4.250 1.00 0.00 C ATOM 1324 O LYS A 88 8.977 -8.434 -3.365 1.00 0.00 O ATOM 1325 CB LYS A 88 9.733 -8.274 -6.368 1.00 0.00 C ATOM 1326 CG LYS A 88 9.748 -9.100 -7.641 1.00 0.00 C ATOM 1327 CD LYS A 88 9.326 -10.528 -7.348 1.00 0.00 C ATOM 1328 CE LYS A 88 9.615 -11.458 -8.516 1.00 0.00 C ATOM 1329 NZ LYS A 88 11.071 -11.588 -8.778 1.00 0.00 N ATOM 0 H LYS A 88 7.793 -6.929 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 88 8.006 -9.282 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.025 -7.251 -6.604 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.480 -8.668 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.076 -8.659 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 88 10.747 -9.091 -8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.849 -10.886 -6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.260 -10.552 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.195 -12.442 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.118 -11.082 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.247 -12.445 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.405 -10.755 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.582 -11.656 -7.875 1.00 0.00 H new ATOM 1343 N ALA A 89 8.065 -6.498 -4.026 1.00 0.00 N ATOM 1344 CA ALA A 89 8.024 -5.950 -2.680 1.00 0.00 C ATOM 1345 C ALA A 89 6.994 -6.701 -1.838 1.00 0.00 C ATOM 1346 O ALA A 89 7.103 -6.773 -0.612 1.00 0.00 O ATOM 1347 CB ALA A 89 7.711 -4.461 -2.721 1.00 0.00 C ATOM 0 H ALA A 89 7.736 -5.864 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 89 9.003 -6.076 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.684 -4.067 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.482 -3.943 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.742 -4.306 -3.196 1.00 0.00 H new ATOM 1353 N GLY A 90 6.000 -7.271 -2.512 1.00 0.00 N ATOM 1354 CA GLY A 90 4.981 -8.046 -1.832 1.00 0.00 C ATOM 1355 C GLY A 90 4.935 -9.474 -2.324 1.00 0.00 C ATOM 1356 O GLY A 90 3.978 -10.197 -2.074 1.00 0.00 O ATOM 0 H GLY A 90 5.883 -7.209 -3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.175 -8.038 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.008 -7.579 -1.984 1.00 0.00 H new ATOM 1360 N ASP A 91 5.910 -9.837 -3.129 1.00 0.00 N ATOM 1361 CA ASP A 91 6.150 -11.228 -3.460 1.00 0.00 C ATOM 1362 C ASP A 91 7.417 -11.706 -2.754 1.00 0.00 C ATOM 1363 O ASP A 91 8.522 -11.452 -3.238 1.00 0.00 O ATOM 1364 CB ASP A 91 6.304 -11.412 -4.956 1.00 0.00 C ATOM 1365 CG ASP A 91 6.180 -12.862 -5.341 1.00 0.00 C ATOM 1366 OD1 ASP A 91 5.766 -13.686 -4.479 1.00 0.00 O ATOM 1367 OD2 ASP A 91 6.477 -13.188 -6.499 1.00 0.00 O ATOM 0 H ASP A 91 6.556 -9.183 -3.571 1.00 0.00 H new ATOM 0 HA ASP A 91 5.294 -11.815 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.545 -10.828 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.274 -11.030 -5.274 1.00 0.00 H new ATOM 1372 N SER A 92 7.286 -12.391 -1.633 1.00 0.00 N ATOM 1373 CA SER A 92 8.457 -12.768 -0.854 1.00 0.00 C ATOM 1374 C SER A 92 8.935 -14.162 -1.240 1.00 0.00 C ATOM 1375 O SER A 92 10.095 -14.522 -1.027 1.00 0.00 O ATOM 1376 CB SER A 92 8.142 -12.706 0.640 1.00 0.00 C ATOM 1377 OG SER A 92 7.651 -11.425 1.003 1.00 0.00 O ATOM 0 H SER A 92 6.394 -12.696 -1.243 1.00 0.00 H new ATOM 0 HA SER A 92 9.257 -12.061 -1.072 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.404 -13.467 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.040 -12.931 1.214 1.00 0.00 H new ATOM 0 HG SER A 92 7.455 -11.410 1.963 1.00 0.00 H new ATOM 1383 N ASP A 93 8.036 -14.940 -1.820 1.00 0.00 N ATOM 1384 CA ASP A 93 8.365 -16.300 -2.238 1.00 0.00 C ATOM 1385 C ASP A 93 8.767 -16.348 -3.711 1.00 0.00 C ATOM 1386 O ASP A 93 9.378 -17.315 -4.170 1.00 0.00 O ATOM 1387 CB ASP A 93 7.190 -17.245 -1.981 1.00 0.00 C ATOM 1388 CG ASP A 93 5.992 -16.944 -2.856 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.536 -15.774 -2.878 1.00 0.00 O ATOM 1390 OD2 ASP A 93 5.499 -17.872 -3.532 1.00 0.00 O ATOM 0 H ASP A 93 7.075 -14.658 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 93 9.217 -16.629 -1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.511 -18.272 -2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.896 -17.175 -0.934 1.00 0.00 H new ATOM 1395 N GLY A 94 8.418 -15.296 -4.444 1.00 0.00 N ATOM 1396 CA GLY A 94 8.826 -15.180 -5.832 1.00 0.00 C ATOM 1397 C GLY A 94 7.960 -15.996 -6.770 1.00 0.00 C ATOM 1398 O GLY A 94 8.471 -16.773 -7.578 1.00 0.00 O ATOM 0 H GLY A 94 7.857 -14.517 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.789 -14.132 -6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.863 -15.503 -5.929 1.00 0.00 H new ATOM 1402 N ASP A 95 6.654 -15.812 -6.678 1.00 0.00 N ATOM 1403 CA ASP A 95 5.720 -16.559 -7.504 1.00 0.00 C ATOM 1404 C ASP A 95 5.130 -15.677 -8.609 1.00 0.00 C ATOM 1405 O ASP A 95 4.358 -16.151 -9.443 1.00 0.00 O ATOM 1406 CB ASP A 95 4.608 -17.178 -6.646 1.00 0.00 C ATOM 1407 CG ASP A 95 3.653 -16.162 -6.051 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.003 -15.505 -5.040 1.00 0.00 O ATOM 1409 OD2 ASP A 95 2.529 -16.046 -6.560 1.00 0.00 O ATOM 0 H ASP A 95 6.215 -15.150 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 95 6.271 -17.369 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.041 -17.881 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.063 -17.751 -5.838 1.00 0.00 H new ATOM 1414 N GLY A 96 5.498 -14.396 -8.617 1.00 0.00 N ATOM 1415 CA GLY A 96 5.110 -13.517 -9.709 1.00 0.00 C ATOM 1416 C GLY A 96 3.814 -12.772 -9.450 1.00 0.00 C ATOM 1417 O GLY A 96 3.074 -12.460 -10.385 1.00 0.00 O ATOM 0 H GLY A 96 6.057 -13.952 -7.888 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.907 -12.795 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.006 -14.106 -10.620 1.00 0.00 H new ATOM 1421 N LYS A 97 3.535 -12.494 -8.187 1.00 0.00 N ATOM 1422 CA LYS A 97 2.272 -11.885 -7.794 1.00 0.00 C ATOM 1423 C LYS A 97 2.433 -11.180 -6.464 1.00 0.00 C ATOM 1424 O LYS A 97 3.455 -11.322 -5.801 1.00 0.00 O ATOM 1425 CB LYS A 97 1.203 -12.965 -7.674 1.00 0.00 C ATOM 1426 CG LYS A 97 1.040 -13.472 -6.264 1.00 0.00 C ATOM 1427 CD LYS A 97 -0.065 -14.497 -6.158 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.222 -14.907 -4.722 1.00 0.00 C ATOM 1429 NZ LYS A 97 0.793 -15.916 -4.327 1.00 0.00 N ATOM 0 H LYS A 97 4.170 -12.681 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 97 1.973 -11.159 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.251 -12.567 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.460 -13.799 -8.327 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.978 -13.913 -5.926 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.824 -12.635 -5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.000 -14.082 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.168 -15.366 -6.773 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.133 -14.030 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.221 -15.315 -4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.316 -16.754 -3.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.352 -16.191 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.423 -15.511 -3.606 1.00 0.00 H new ATOM 1443 N ILE A 98 1.428 -10.426 -6.073 1.00 0.00 N ATOM 1444 CA ILE A 98 1.381 -9.894 -4.732 1.00 0.00 C ATOM 1445 C ILE A 98 0.681 -10.881 -3.827 1.00 0.00 C ATOM 1446 O ILE A 98 -0.444 -11.304 -4.101 1.00 0.00 O ATOM 1447 CB ILE A 98 0.653 -8.540 -4.648 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.510 -7.430 -5.243 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.296 -8.221 -3.200 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.811 -7.206 -4.513 1.00 0.00 C ATOM 0 H ILE A 98 0.637 -10.170 -6.663 1.00 0.00 H new ATOM 0 HA ILE A 98 2.412 -9.732 -4.418 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.268 -8.607 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.725 -7.669 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.939 -6.502 -5.240 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.218 -7.261 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.356 -9.001 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.207 -8.173 -2.603 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.365 -6.401 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.605 -6.935 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.404 -8.120 -4.538 1.00 0.00 H new ATOM 1462 N GLY A 99 1.354 -11.271 -2.768 1.00 0.00 N ATOM 1463 CA GLY A 99 0.705 -12.073 -1.774 1.00 0.00 C ATOM 1464 C GLY A 99 -0.007 -11.180 -0.802 1.00 0.00 C ATOM 1465 O GLY A 99 0.540 -10.162 -0.389 1.00 0.00 O ATOM 0 H GLY A 99 2.331 -11.048 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.003 -12.754 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.438 -12.687 -1.251 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.223 -11.536 -0.450 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.012 -10.734 0.467 1.00 0.00 C ATOM 1471 C VAL A 100 -1.266 -10.531 1.786 1.00 0.00 C ATOM 1472 O VAL A 100 -1.092 -9.402 2.246 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.390 -11.391 0.688 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -4.005 -10.994 2.020 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.323 -11.033 -0.462 1.00 0.00 C ATOM 0 H VAL A 100 -1.691 -12.378 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.173 -9.748 0.031 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.245 -12.471 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.974 -11.480 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.347 -11.304 2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.136 -9.912 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.295 -11.500 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.444 -9.951 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -3.899 -11.392 -1.400 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.778 -11.620 2.352 1.00 0.00 N ATOM 1486 CA ASP A 101 -0.008 -11.565 3.591 1.00 0.00 C ATOM 1487 C ASP A 101 1.324 -10.846 3.372 1.00 0.00 C ATOM 1488 O ASP A 101 1.850 -10.186 4.275 1.00 0.00 O ATOM 1489 CB ASP A 101 0.238 -12.984 4.115 1.00 0.00 C ATOM 1490 CG ASP A 101 1.155 -13.798 3.216 1.00 0.00 C ATOM 1491 OD1 ASP A 101 0.674 -14.313 2.181 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.356 -13.930 3.539 1.00 0.00 O ATOM 0 H ASP A 101 -0.900 -12.560 1.975 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.581 -11.004 4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.673 -12.927 5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.717 -13.500 4.213 1.00 0.00 H new ATOM 1497 N GLU A 102 1.844 -10.949 2.157 1.00 0.00 N ATOM 1498 CA GLU A 102 3.144 -10.388 1.825 1.00 0.00 C ATOM 1499 C GLU A 102 3.048 -8.868 1.633 1.00 0.00 C ATOM 1500 O GLU A 102 3.980 -8.134 1.950 1.00 0.00 O ATOM 1501 CB GLU A 102 3.694 -11.060 0.560 1.00 0.00 C ATOM 1502 CG GLU A 102 3.555 -12.582 0.555 1.00 0.00 C ATOM 1503 CD GLU A 102 4.482 -13.281 -0.426 1.00 0.00 C ATOM 1504 OE1 GLU A 102 4.283 -13.165 -1.656 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.418 -13.965 0.031 1.00 0.00 O ATOM 0 H GLU A 102 1.380 -11.420 1.380 1.00 0.00 H new ATOM 0 HA GLU A 102 3.829 -10.579 2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.175 -10.655 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.747 -10.801 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.753 -12.959 1.559 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.524 -12.842 0.315 1.00 0.00 H new ATOM 1512 N PHE A 103 1.909 -8.411 1.122 1.00 0.00 N ATOM 1513 CA PHE A 103 1.655 -6.984 0.894 1.00 0.00 C ATOM 1514 C PHE A 103 1.426 -6.264 2.223 1.00 0.00 C ATOM 1515 O PHE A 103 1.807 -5.108 2.386 1.00 0.00 O ATOM 1516 CB PHE A 103 0.421 -6.829 -0.005 1.00 0.00 C ATOM 1517 CG PHE A 103 0.178 -5.438 -0.528 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.748 -5.030 -1.720 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.637 -4.549 0.155 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.518 -3.765 -2.221 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -0.873 -3.282 -0.345 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.294 -2.890 -1.533 1.00 0.00 C ATOM 0 H PHE A 103 1.133 -9.016 0.853 1.00 0.00 H new ATOM 0 HA PHE A 103 2.522 -6.539 0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.522 -7.506 -0.853 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.458 -7.148 0.554 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.383 -5.712 -2.267 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.092 -4.849 1.087 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.974 -3.461 -3.152 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.511 -2.599 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.476 -1.900 -1.923 1.00 0.00 H new ATOM 1532 N GLY A 104 0.794 -6.946 3.172 1.00 0.00 N ATOM 1533 CA GLY A 104 0.635 -6.375 4.499 1.00 0.00 C ATOM 1534 C GLY A 104 1.979 -6.117 5.140 1.00 0.00 C ATOM 1535 O GLY A 104 2.245 -5.024 5.655 1.00 0.00 O ATOM 0 H GLY A 104 0.392 -7.875 3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.074 -5.443 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.054 -7.053 5.124 1.00 0.00 H new ATOM 1539 N ALA A 105 2.843 -7.122 5.068 1.00 0.00 N ATOM 1540 CA ALA A 105 4.212 -6.993 5.542 1.00 0.00 C ATOM 1541 C ALA A 105 4.975 -5.988 4.685 1.00 0.00 C ATOM 1542 O ALA A 105 5.951 -5.394 5.132 1.00 0.00 O ATOM 1543 CB ALA A 105 4.904 -8.347 5.520 1.00 0.00 C ATOM 0 H ALA A 105 2.617 -8.039 4.684 1.00 0.00 H new ATOM 0 HA ALA A 105 4.196 -6.628 6.569 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.928 -8.238 5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 105 4.366 -9.041 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.914 -8.734 4.501 1.00 0.00 H new ATOM 1549 N MET A 106 4.505 -5.803 3.457 1.00 0.00 N ATOM 1550 CA MET A 106 5.115 -4.870 2.516 1.00 0.00 C ATOM 1551 C MET A 106 4.966 -3.434 2.988 1.00 0.00 C ATOM 1552 O MET A 106 5.929 -2.669 3.009 1.00 0.00 O ATOM 1553 CB MET A 106 4.459 -4.988 1.143 1.00 0.00 C ATOM 1554 CG MET A 106 5.064 -4.049 0.125 1.00 0.00 C ATOM 1555 SD MET A 106 3.899 -3.475 -1.123 1.00 0.00 S ATOM 1556 CE MET A 106 3.921 -4.847 -2.266 1.00 0.00 C ATOM 0 H MET A 106 3.692 -6.294 3.086 1.00 0.00 H new ATOM 0 HA MET A 106 6.173 -5.126 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.554 -6.014 0.787 1.00 0.00 H new ATOM 0 HB3 MET A 106 3.393 -4.780 1.235 1.00 0.00 H new ATOM 0 HG2 MET A 106 5.480 -3.185 0.644 1.00 0.00 H new ATOM 0 HG3 MET A 106 5.894 -4.553 -0.371 1.00 0.00 H new ATOM 0 HE1 MET A 106 3.302 -4.610 -3.131 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.944 -5.032 -2.592 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.531 -5.737 -1.773 1.00 0.00 H new ATOM 1566 N ILE A 107 3.748 -3.074 3.363 1.00 0.00 N ATOM 1567 CA ILE A 107 3.438 -1.702 3.719 1.00 0.00 C ATOM 1568 C ILE A 107 4.112 -1.362 5.032 1.00 0.00 C ATOM 1569 O ILE A 107 4.563 -0.239 5.262 1.00 0.00 O ATOM 1570 CB ILE A 107 1.916 -1.485 3.875 1.00 0.00 C ATOM 1571 CG1 ILE A 107 1.170 -2.007 2.649 1.00 0.00 C ATOM 1572 CG2 ILE A 107 1.611 -0.012 4.084 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.330 -2.024 2.828 1.00 0.00 C ATOM 0 H ILE A 107 2.958 -3.716 3.428 1.00 0.00 H new ATOM 0 HA ILE A 107 3.800 -1.058 2.918 1.00 0.00 H new ATOM 0 HB ILE A 107 1.579 -2.042 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 107 1.420 -1.387 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.514 -3.017 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 107 0.535 0.125 4.192 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.114 0.339 4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 107 1.965 0.558 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -0.800 -2.405 1.922 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.589 -2.667 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -0.685 -1.012 3.023 1.00 0.00 H new ATOM 1585 N LYS A 108 4.182 -2.367 5.881 1.00 0.00 N ATOM 1586 CA LYS A 108 4.756 -2.223 7.203 1.00 0.00 C ATOM 1587 C LYS A 108 6.287 -2.223 7.138 1.00 0.00 C ATOM 1588 O LYS A 108 6.947 -1.651 8.008 1.00 0.00 O ATOM 1589 CB LYS A 108 4.206 -3.348 8.091 1.00 0.00 C ATOM 1590 CG LYS A 108 4.809 -3.448 9.491 1.00 0.00 C ATOM 1591 CD LYS A 108 6.128 -4.216 9.501 1.00 0.00 C ATOM 1592 CE LYS A 108 5.948 -5.688 9.153 1.00 0.00 C ATOM 1593 NZ LYS A 108 5.113 -6.413 10.146 1.00 0.00 N ATOM 0 H LYS A 108 3.843 -3.306 5.674 1.00 0.00 H new ATOM 0 HA LYS A 108 4.474 -1.264 7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.129 -3.213 8.189 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.363 -4.298 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 108 4.972 -2.445 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.099 -3.941 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.816 -3.759 8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.586 -4.132 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.489 -5.771 8.168 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.926 -6.165 9.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.174 -7.436 9.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 5.456 -6.206 11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.124 -6.105 10.058 1.00 0.00 H new ATOM 1607 N ALA A 109 6.836 -2.843 6.097 1.00 0.00 N ATOM 1608 CA ALA A 109 8.284 -2.955 5.934 1.00 0.00 C ATOM 1609 C ALA A 109 8.944 -1.583 5.877 1.00 0.00 C ATOM 1610 O ALA A 109 8.730 -0.860 4.879 1.00 0.00 O ATOM 1611 CB ALA A 109 8.619 -3.750 4.682 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.676 -1.233 6.825 1.00 0.00 O ATOM 0 H ALA A 109 6.297 -3.278 5.349 1.00 0.00 H new ATOM 0 HA ALA A 109 8.676 -3.482 6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.701 -3.823 4.576 1.00 0.00 H new ATOM 0 HB2 ALA A 109 8.193 -4.750 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.203 -3.247 3.809 1.00 0.00 H new