USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 Single : A 5 LYS NZ :NH3+ -116:sc=-0.000374 (180deg=-0.0505) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -147:sc= -1.6 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.81 K(o=-3.8,f=-4.5!) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.0329 (180deg=-0.703) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -134:sc= 0.282 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -1.7 X(o=-1.7,f=-1.4) USER MOD Single : A 27 HIS : no HD1:sc= -3.4 K(o=-3.4,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.12! USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -5.62! C(o=-5.6!,f=-5.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0668 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -76:sc= 0.702 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-3.8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 3 -4.755 3.099 14.950 1.00 0.00 N ATOM 36 CA ASP A 3 -4.922 1.774 14.284 1.00 0.00 C ATOM 37 C ASP A 3 -5.112 1.959 12.776 1.00 0.00 C ATOM 38 O ASP A 3 -4.778 2.991 12.224 1.00 0.00 O ATOM 39 CB ASP A 3 -6.178 1.169 14.913 1.00 0.00 C ATOM 40 CG ASP A 3 -6.002 -0.343 15.055 1.00 0.00 C ATOM 41 OD1 ASP A 3 -5.773 -0.991 14.046 1.00 0.00 O ATOM 42 OD2 ASP A 3 -6.100 -0.830 16.169 1.00 0.00 O ATOM 0 HA ASP A 3 -4.051 1.133 14.417 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.360 1.618 15.890 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.048 1.388 14.294 1.00 0.00 H new ATOM 47 N VAL A 4 -5.683 0.983 12.116 1.00 0.00 N ATOM 48 CA VAL A 4 -5.941 1.113 10.650 1.00 0.00 C ATOM 49 C VAL A 4 -7.182 1.982 10.409 1.00 0.00 C ATOM 50 O VAL A 4 -8.232 1.754 10.980 1.00 0.00 O ATOM 51 CB VAL A 4 -6.164 -0.327 10.157 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.646 -0.329 8.700 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.846 -1.098 10.243 1.00 0.00 C ATOM 0 H VAL A 4 -5.982 0.100 12.530 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.119 1.594 10.120 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.922 -0.798 10.783 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.798 -1.356 8.369 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.585 0.219 8.627 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.897 0.149 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.999 -2.120 9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.097 -0.610 9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.501 -1.115 11.277 1.00 0.00 H new ATOM 63 N LYS A 5 -7.088 2.908 9.490 1.00 0.00 N ATOM 64 CA LYS A 5 -8.279 3.720 9.110 1.00 0.00 C ATOM 65 C LYS A 5 -8.731 3.336 7.700 1.00 0.00 C ATOM 66 O LYS A 5 -7.925 2.981 6.860 1.00 0.00 O ATOM 67 CB LYS A 5 -7.799 5.172 9.146 1.00 0.00 C ATOM 68 CG LYS A 5 -8.994 6.111 8.963 1.00 0.00 C ATOM 69 CD LYS A 5 -8.516 7.432 8.358 1.00 0.00 C ATOM 70 CE LYS A 5 -9.508 8.544 8.712 1.00 0.00 C ATOM 71 NZ LYS A 5 -10.677 8.315 7.819 1.00 0.00 N ATOM 0 H LYS A 5 -6.232 3.137 8.985 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.126 3.561 9.777 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.303 5.378 10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.065 5.343 8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.737 5.649 8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -9.478 6.292 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.525 7.680 8.737 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.429 7.338 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.798 8.495 9.762 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.072 9.529 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.783 9.122 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.528 7.446 7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.539 8.217 8.393 1.00 0.00 H new ATOM 85 N TYR A 6 -10.009 3.416 7.429 1.00 0.00 N ATOM 86 CA TYR A 6 -10.509 3.069 6.065 1.00 0.00 C ATOM 87 C TYR A 6 -10.277 4.236 5.104 1.00 0.00 C ATOM 88 O TYR A 6 -11.185 4.982 4.788 1.00 0.00 O ATOM 89 CB TYR A 6 -12.004 2.803 6.244 1.00 0.00 C ATOM 90 CG TYR A 6 -12.216 1.343 6.564 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.802 0.359 5.658 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.823 0.972 7.770 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.994 -0.994 5.957 1.00 0.00 C ATOM 94 CE2 TYR A 6 -13.015 -0.382 8.070 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.601 -1.365 7.163 1.00 0.00 C ATOM 96 OH TYR A 6 -12.791 -2.699 7.458 1.00 0.00 O ATOM 0 H TYR A 6 -10.727 3.706 8.093 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.993 2.207 5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.402 3.424 7.046 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.544 3.070 5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.334 0.645 4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.143 1.730 8.469 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.674 -1.752 5.258 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.482 -0.668 9.001 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.224 -2.782 8.333 1.00 0.00 H new ATOM 106 N TYR A 7 -9.076 4.364 4.599 1.00 0.00 N ATOM 107 CA TYR A 7 -8.785 5.447 3.609 1.00 0.00 C ATOM 108 C TYR A 7 -9.652 5.262 2.360 1.00 0.00 C ATOM 109 O TYR A 7 -9.869 4.153 1.907 1.00 0.00 O ATOM 110 CB TYR A 7 -7.302 5.289 3.260 1.00 0.00 C ATOM 111 CG TYR A 7 -6.448 5.676 4.447 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.642 6.911 5.081 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.458 4.801 4.912 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.850 7.269 6.177 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.665 5.161 6.008 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.860 6.395 6.640 1.00 0.00 C ATOM 117 OH TYR A 7 -4.078 6.748 7.720 1.00 0.00 O ATOM 0 H TYR A 7 -8.283 3.765 4.829 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.002 6.438 4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.095 4.258 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.053 5.914 2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.404 7.587 4.723 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.307 3.849 4.425 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.003 8.220 6.666 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.902 4.486 6.366 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.441 6.028 7.912 1.00 0.00 H new ATOM 127 N THR A 8 -10.127 6.339 1.792 1.00 0.00 N ATOM 128 CA THR A 8 -10.957 6.236 0.555 1.00 0.00 C ATOM 129 C THR A 8 -10.062 6.171 -0.684 1.00 0.00 C ATOM 130 O THR A 8 -8.936 6.630 -0.673 1.00 0.00 O ATOM 131 CB THR A 8 -11.807 7.508 0.538 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.956 8.644 0.555 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.718 7.531 1.766 1.00 0.00 C ATOM 0 H THR A 8 -9.976 7.289 2.132 1.00 0.00 H new ATOM 0 HA THR A 8 -11.571 5.336 0.547 1.00 0.00 H new ATOM 0 HB THR A 8 -12.418 7.526 -0.364 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.390 9.370 1.050 1.00 0.00 H new ATOM 0 HG21 THR A 8 -13.323 8.437 1.753 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.371 6.658 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 8 -12.110 7.514 2.670 1.00 0.00 H new ATOM 141 N LEU A 9 -10.573 5.635 -1.763 1.00 0.00 N ATOM 142 CA LEU A 9 -9.778 5.568 -3.029 1.00 0.00 C ATOM 143 C LEU A 9 -9.378 6.976 -3.485 1.00 0.00 C ATOM 144 O LEU A 9 -8.365 7.161 -4.133 1.00 0.00 O ATOM 145 CB LEU A 9 -10.713 4.919 -4.053 1.00 0.00 C ATOM 146 CG LEU A 9 -9.889 4.210 -5.130 1.00 0.00 C ATOM 147 CD1 LEU A 9 -9.110 3.053 -4.503 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.830 3.662 -6.204 1.00 0.00 C ATOM 0 H LEU A 9 -11.511 5.239 -1.823 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.855 5.003 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.371 4.206 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.350 5.677 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.190 4.917 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.524 2.550 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.442 3.439 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.808 2.344 -4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.248 3.156 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.526 2.955 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.388 4.484 -6.653 1.00 0.00 H new ATOM 160 N GLU A 10 -10.150 7.970 -3.123 1.00 0.00 N ATOM 161 CA GLU A 10 -9.800 9.374 -3.502 1.00 0.00 C ATOM 162 C GLU A 10 -8.691 9.912 -2.592 1.00 0.00 C ATOM 163 O GLU A 10 -7.911 10.758 -2.989 1.00 0.00 O ATOM 164 CB GLU A 10 -11.090 10.173 -3.303 1.00 0.00 C ATOM 165 CG GLU A 10 -11.976 10.028 -4.542 1.00 0.00 C ATOM 166 CD GLU A 10 -13.427 10.345 -4.171 1.00 0.00 C ATOM 167 OE1 GLU A 10 -14.112 9.442 -3.719 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.827 11.483 -4.347 1.00 0.00 O ATOM 0 H GLU A 10 -11.008 7.870 -2.581 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.430 9.442 -4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.620 9.815 -2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.857 11.224 -3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.635 10.702 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.903 9.015 -4.938 1.00 0.00 H new ATOM 175 N GLU A 11 -8.597 9.404 -1.389 1.00 0.00 N ATOM 176 CA GLU A 11 -7.516 9.859 -0.461 1.00 0.00 C ATOM 177 C GLU A 11 -6.185 9.200 -0.835 1.00 0.00 C ATOM 178 O GLU A 11 -5.128 9.772 -0.647 1.00 0.00 O ATOM 179 CB GLU A 11 -7.968 9.407 0.931 1.00 0.00 C ATOM 180 CG GLU A 11 -8.536 10.601 1.703 1.00 0.00 C ATOM 181 CD GLU A 11 -9.812 11.095 1.018 1.00 0.00 C ATOM 182 OE1 GLU A 11 -9.725 11.496 -0.131 1.00 0.00 O ATOM 183 OE2 GLU A 11 -10.852 11.063 1.653 1.00 0.00 O ATOM 0 H GLU A 11 -9.222 8.693 -1.009 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.360 10.937 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.723 8.626 0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.127 8.977 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.752 10.312 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.800 11.404 1.745 1.00 0.00 H new ATOM 190 N ILE A 12 -6.234 8.018 -1.395 1.00 0.00 N ATOM 191 CA ILE A 12 -4.974 7.334 -1.823 1.00 0.00 C ATOM 192 C ILE A 12 -4.464 7.948 -3.130 1.00 0.00 C ATOM 193 O ILE A 12 -3.275 8.127 -3.318 1.00 0.00 O ATOM 194 CB ILE A 12 -5.360 5.863 -2.035 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.960 5.281 -0.743 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.116 5.060 -2.430 1.00 0.00 C ATOM 197 CD1 ILE A 12 -4.948 5.368 0.406 1.00 0.00 C ATOM 0 H ILE A 12 -7.092 7.496 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.179 7.438 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.103 5.801 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.867 5.825 -0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.247 4.242 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.390 4.016 -2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.701 5.463 -3.354 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.371 5.129 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.389 4.952 1.312 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.053 4.803 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.682 6.411 0.578 1.00 0.00 H new ATOM 209 N GLN A 13 -5.360 8.310 -4.013 1.00 0.00 N ATOM 210 CA GLN A 13 -4.942 8.959 -5.293 1.00 0.00 C ATOM 211 C GLN A 13 -4.895 10.480 -5.124 1.00 0.00 C ATOM 212 O GLN A 13 -5.407 11.219 -5.945 1.00 0.00 O ATOM 213 CB GLN A 13 -6.017 8.566 -6.307 1.00 0.00 C ATOM 214 CG GLN A 13 -6.035 7.043 -6.472 1.00 0.00 C ATOM 215 CD GLN A 13 -6.370 6.691 -7.923 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.548 6.846 -8.803 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.552 6.217 -8.211 1.00 0.00 N ATOM 0 H GLN A 13 -6.366 8.184 -3.902 1.00 0.00 H new ATOM 0 HA GLN A 13 -3.948 8.643 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.993 8.917 -5.972 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.818 9.044 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.066 6.626 -6.200 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.772 6.602 -5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.243 6.087 -7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.784 5.977 -9.175 1.00 0.00 H new ATOM 226 N LYS A 14 -4.254 10.953 -4.084 1.00 0.00 N ATOM 227 CA LYS A 14 -4.136 12.427 -3.877 1.00 0.00 C ATOM 228 C LYS A 14 -2.683 12.807 -3.577 1.00 0.00 C ATOM 229 O LYS A 14 -2.417 13.699 -2.794 1.00 0.00 O ATOM 230 CB LYS A 14 -5.029 12.731 -2.674 1.00 0.00 C ATOM 231 CG LYS A 14 -5.687 14.101 -2.858 1.00 0.00 C ATOM 232 CD LYS A 14 -5.894 14.757 -1.492 1.00 0.00 C ATOM 233 CE LYS A 14 -4.667 15.600 -1.138 1.00 0.00 C ATOM 234 NZ LYS A 14 -5.217 16.829 -0.502 1.00 0.00 N ATOM 0 H LYS A 14 -3.807 10.380 -3.369 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.435 12.992 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.793 11.960 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.439 12.720 -1.758 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.061 14.735 -3.486 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.644 13.991 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.786 15.383 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.055 13.993 -0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.004 15.066 -0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.084 15.842 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.435 17.459 -0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.839 17.320 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.761 16.568 0.345 1.00 0.00 H new ATOM 248 N HIS A 15 -1.747 12.163 -4.226 1.00 0.00 N ATOM 249 CA HIS A 15 -0.308 12.511 -4.019 1.00 0.00 C ATOM 250 C HIS A 15 0.292 13.064 -5.315 1.00 0.00 C ATOM 251 O HIS A 15 0.536 12.333 -6.256 1.00 0.00 O ATOM 252 CB HIS A 15 0.365 11.194 -3.631 1.00 0.00 C ATOM 253 CG HIS A 15 -0.030 10.826 -2.228 1.00 0.00 C ATOM 254 ND1 HIS A 15 0.788 11.079 -1.138 1.00 0.00 N ATOM 255 CD2 HIS A 15 -1.157 10.227 -1.721 1.00 0.00 C ATOM 256 CE1 HIS A 15 0.148 10.638 -0.040 1.00 0.00 C ATOM 257 NE2 HIS A 15 -1.042 10.110 -0.338 1.00 0.00 N ATOM 0 H HIS A 15 -1.917 11.409 -4.892 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.171 13.277 -3.255 1.00 0.00 H new ATOM 0 HB2 HIS A 15 0.070 10.405 -4.322 1.00 0.00 H new ATOM 0 HB3 HIS A 15 1.448 11.292 -3.702 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.003 9.897 -2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.548 10.703 0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.721 9.708 0.308 1.00 0.00 H new ATOM 266 N LYS A 16 0.557 14.346 -5.354 1.00 0.00 N ATOM 267 CA LYS A 16 1.174 14.952 -6.573 1.00 0.00 C ATOM 268 C LYS A 16 2.110 16.100 -6.181 1.00 0.00 C ATOM 269 O LYS A 16 3.216 16.204 -6.677 1.00 0.00 O ATOM 270 CB LYS A 16 -0.004 15.477 -7.394 1.00 0.00 C ATOM 271 CG LYS A 16 -0.405 14.435 -8.442 1.00 0.00 C ATOM 272 CD LYS A 16 0.270 14.765 -9.776 1.00 0.00 C ATOM 273 CE LYS A 16 1.582 13.985 -9.898 1.00 0.00 C ATOM 274 NZ LYS A 16 2.648 14.972 -9.571 1.00 0.00 N ATOM 0 H LYS A 16 0.372 15.000 -4.593 1.00 0.00 H new ATOM 0 HA LYS A 16 1.773 14.233 -7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.849 15.693 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.268 16.413 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.111 13.439 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.488 14.424 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.393 14.511 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.465 15.835 -9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.603 13.139 -9.211 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.711 13.583 -10.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.470 14.476 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.933 15.475 -10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.286 15.656 -8.876 1.00 0.00 H new ATOM 288 N ASP A 17 1.684 16.943 -5.274 1.00 0.00 N ATOM 289 CA ASP A 17 2.558 18.067 -4.820 1.00 0.00 C ATOM 290 C ASP A 17 3.584 17.563 -3.802 1.00 0.00 C ATOM 291 O ASP A 17 4.764 17.488 -4.085 1.00 0.00 O ATOM 292 CB ASP A 17 1.605 19.072 -4.169 1.00 0.00 C ATOM 293 CG ASP A 17 0.782 19.771 -5.253 1.00 0.00 C ATOM 294 OD1 ASP A 17 1.360 20.143 -6.261 1.00 0.00 O ATOM 295 OD2 ASP A 17 -0.412 19.922 -5.056 1.00 0.00 O ATOM 0 H ASP A 17 0.768 16.901 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 17 3.119 18.511 -5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.944 18.561 -3.468 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.170 19.807 -3.596 1.00 0.00 H new ATOM 300 N SER A 18 3.134 17.177 -2.634 1.00 0.00 N ATOM 301 CA SER A 18 4.074 16.628 -1.608 1.00 0.00 C ATOM 302 C SER A 18 4.750 15.361 -2.139 1.00 0.00 C ATOM 303 O SER A 18 4.261 14.726 -3.054 1.00 0.00 O ATOM 304 CB SER A 18 3.203 16.302 -0.394 1.00 0.00 C ATOM 305 OG SER A 18 3.976 16.442 0.790 1.00 0.00 O ATOM 0 H SER A 18 2.156 17.218 -2.346 1.00 0.00 H new ATOM 0 HA SER A 18 4.866 17.334 -1.358 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.342 16.969 -0.361 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.817 15.286 -0.472 1.00 0.00 H new ATOM 0 HG SER A 18 3.420 16.235 1.570 1.00 0.00 H new ATOM 311 N LYS A 19 5.850 14.970 -1.545 1.00 0.00 N ATOM 312 CA LYS A 19 6.539 13.721 -1.985 1.00 0.00 C ATOM 313 C LYS A 19 6.274 12.593 -0.986 1.00 0.00 C ATOM 314 O LYS A 19 6.369 12.775 0.212 1.00 0.00 O ATOM 315 CB LYS A 19 8.026 14.071 -2.009 1.00 0.00 C ATOM 316 CG LYS A 19 8.728 13.243 -3.087 1.00 0.00 C ATOM 317 CD LYS A 19 10.233 13.218 -2.813 1.00 0.00 C ATOM 318 CE LYS A 19 10.554 12.100 -1.819 1.00 0.00 C ATOM 319 NZ LYS A 19 11.901 12.437 -1.281 1.00 0.00 N ATOM 0 H LYS A 19 6.300 15.463 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 19 6.186 13.378 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.157 15.134 -2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.473 13.873 -1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.332 12.227 -3.095 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.534 13.669 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.780 13.060 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.556 14.179 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.811 12.055 -1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.557 11.126 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.190 11.714 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.589 12.466 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.866 13.366 -0.815 1.00 0.00 H new ATOM 333 N SER A 20 5.985 11.416 -1.480 1.00 0.00 N ATOM 334 CA SER A 20 5.760 10.245 -0.578 1.00 0.00 C ATOM 335 C SER A 20 5.641 8.964 -1.408 1.00 0.00 C ATOM 336 O SER A 20 6.041 8.921 -2.557 1.00 0.00 O ATOM 337 CB SER A 20 4.443 10.536 0.144 1.00 0.00 C ATOM 338 OG SER A 20 4.198 9.516 1.103 1.00 0.00 O ATOM 0 H SER A 20 5.895 11.214 -2.476 1.00 0.00 H new ATOM 0 HA SER A 20 6.582 10.102 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.491 11.508 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.624 10.581 -0.574 1.00 0.00 H new ATOM 0 HG SER A 20 3.267 9.218 1.033 1.00 0.00 H new ATOM 344 N THR A 21 5.041 7.939 -0.854 1.00 0.00 N ATOM 345 CA THR A 21 4.830 6.681 -1.630 1.00 0.00 C ATOM 346 C THR A 21 3.705 5.849 -0.999 1.00 0.00 C ATOM 347 O THR A 21 3.947 4.906 -0.268 1.00 0.00 O ATOM 348 CB THR A 21 6.171 5.938 -1.567 1.00 0.00 C ATOM 349 OG1 THR A 21 6.061 4.711 -2.273 1.00 0.00 O ATOM 350 CG2 THR A 21 6.553 5.653 -0.112 1.00 0.00 C ATOM 0 H THR A 21 4.689 7.921 0.103 1.00 0.00 H new ATOM 0 HA THR A 21 4.531 6.876 -2.660 1.00 0.00 H new ATOM 0 HB THR A 21 6.943 6.560 -2.020 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.917 4.234 -2.236 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.506 5.126 -0.083 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.642 6.593 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.783 5.037 0.352 1.00 0.00 H new ATOM 358 N TRP A 22 2.476 6.174 -1.315 1.00 0.00 N ATOM 359 CA TRP A 22 1.325 5.386 -0.780 1.00 0.00 C ATOM 360 C TRP A 22 1.082 4.148 -1.647 1.00 0.00 C ATOM 361 O TRP A 22 0.219 4.140 -2.505 1.00 0.00 O ATOM 362 CB TRP A 22 0.131 6.340 -0.849 1.00 0.00 C ATOM 363 CG TRP A 22 0.126 7.221 0.363 1.00 0.00 C ATOM 364 CD1 TRP A 22 1.198 7.894 0.840 1.00 0.00 C ATOM 365 CD2 TRP A 22 -0.984 7.535 1.254 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.818 8.600 1.968 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.518 8.411 2.262 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.335 7.148 1.285 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.363 8.886 3.266 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.189 7.625 2.294 1.00 0.00 C ATOM 371 CH2 TRP A 22 -2.703 8.493 3.282 1.00 0.00 C ATOM 0 H TRP A 22 2.221 6.953 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 22 1.502 5.028 0.234 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.188 6.947 -1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.798 5.773 -0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.189 7.882 0.411 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.447 9.188 2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.719 6.480 0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.983 9.553 4.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.225 7.321 2.308 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.364 8.857 4.054 1.00 0.00 H new ATOM 382 N VAL A 23 1.820 3.093 -1.405 1.00 0.00 N ATOM 383 CA VAL A 23 1.622 1.835 -2.188 1.00 0.00 C ATOM 384 C VAL A 23 0.494 1.001 -1.572 1.00 0.00 C ATOM 385 O VAL A 23 0.401 0.858 -0.367 1.00 0.00 O ATOM 386 CB VAL A 23 2.967 1.096 -2.092 1.00 0.00 C ATOM 387 CG1 VAL A 23 2.863 -0.288 -2.750 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.056 1.920 -2.798 1.00 0.00 C ATOM 0 H VAL A 23 2.553 3.049 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 23 1.338 2.027 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 23 3.226 0.968 -1.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.822 -0.800 -2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.098 -0.875 -2.243 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.595 -0.172 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.010 1.397 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.789 2.053 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.143 2.895 -2.319 1.00 0.00 H new ATOM 398 N ILE A 24 -0.295 0.372 -2.401 1.00 0.00 N ATOM 399 CA ILE A 24 -1.346 -0.553 -1.889 1.00 0.00 C ATOM 400 C ILE A 24 -1.015 -1.982 -2.324 1.00 0.00 C ATOM 401 O ILE A 24 -0.616 -2.214 -3.451 1.00 0.00 O ATOM 402 CB ILE A 24 -2.653 -0.082 -2.532 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.918 1.378 -2.149 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.808 -0.953 -2.033 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.359 2.302 -3.234 1.00 0.00 C ATOM 0 H ILE A 24 -0.256 0.460 -3.416 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.416 -0.547 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.573 -0.165 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.989 1.545 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.452 1.603 -1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.739 -0.619 -2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.623 -1.992 -2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.885 -0.869 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.548 3.340 -2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.285 2.142 -3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.845 2.083 -4.185 1.00 0.00 H new ATOM 417 N LEU A 25 -1.168 -2.936 -1.443 1.00 0.00 N ATOM 418 CA LEU A 25 -0.851 -4.350 -1.812 1.00 0.00 C ATOM 419 C LEU A 25 -2.136 -5.143 -2.062 1.00 0.00 C ATOM 420 O LEU A 25 -2.522 -5.368 -3.194 1.00 0.00 O ATOM 421 CB LEU A 25 -0.081 -4.910 -0.616 1.00 0.00 C ATOM 422 CG LEU A 25 1.420 -4.716 -0.850 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.749 -3.221 -0.836 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.211 -5.424 0.253 1.00 0.00 C ATOM 0 H LEU A 25 -1.497 -2.799 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.269 -4.415 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.387 -4.403 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.307 -5.968 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 25 1.692 -5.140 -1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.817 -3.082 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.190 -2.718 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.474 -2.797 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.278 -5.283 0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.940 -5.004 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.979 -6.489 0.241 1.00 0.00 H new ATOM 436 N HIS A 26 -2.831 -5.512 -1.018 1.00 0.00 N ATOM 437 CA HIS A 26 -4.132 -6.228 -1.192 1.00 0.00 C ATOM 438 C HIS A 26 -5.258 -5.424 -0.536 1.00 0.00 C ATOM 439 O HIS A 26 -6.312 -5.232 -1.113 1.00 0.00 O ATOM 440 CB HIS A 26 -3.950 -7.593 -0.511 1.00 0.00 C ATOM 441 CG HIS A 26 -3.576 -7.412 0.939 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.497 -7.563 1.963 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.385 -7.101 1.549 1.00 0.00 C ATOM 444 CE1 HIS A 26 -3.853 -7.344 3.124 1.00 0.00 C ATOM 445 NE2 HIS A 26 -2.563 -7.059 2.929 1.00 0.00 N ATOM 0 H HIS A 26 -2.554 -5.349 -0.050 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.401 -6.351 -2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.872 -8.170 -0.586 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.175 -8.162 -1.025 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -5.484 -7.798 1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.453 -6.917 1.036 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.322 -7.393 4.095 1.00 0.00 H new ATOM 453 N HIS A 27 -5.005 -4.881 0.625 1.00 0.00 N ATOM 454 CA HIS A 27 -6.011 -3.996 1.284 1.00 0.00 C ATOM 455 C HIS A 27 -5.328 -3.094 2.318 1.00 0.00 C ATOM 456 O HIS A 27 -5.952 -2.633 3.256 1.00 0.00 O ATOM 457 CB HIS A 27 -6.990 -4.951 1.967 1.00 0.00 C ATOM 458 CG HIS A 27 -8.263 -4.216 2.290 1.00 0.00 C ATOM 459 ND1 HIS A 27 -9.010 -4.496 3.424 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.932 -3.210 1.640 1.00 0.00 C ATOM 461 CE1 HIS A 27 -10.075 -3.675 3.421 1.00 0.00 C ATOM 462 NE2 HIS A 27 -10.076 -2.869 2.355 1.00 0.00 N ATOM 0 H HIS A 27 -4.140 -5.013 1.149 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.512 -3.339 0.573 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.202 -5.799 1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.547 -5.352 2.879 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.618 -2.752 0.714 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.837 -3.668 4.187 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.767 -2.157 2.117 1.00 0.00 H new ATOM 470 N LYS A 28 -4.058 -2.819 2.139 1.00 0.00 N ATOM 471 CA LYS A 28 -3.336 -1.928 3.092 1.00 0.00 C ATOM 472 C LYS A 28 -2.645 -0.792 2.335 1.00 0.00 C ATOM 473 O LYS A 28 -2.103 -0.990 1.261 1.00 0.00 O ATOM 474 CB LYS A 28 -2.301 -2.828 3.767 1.00 0.00 C ATOM 475 CG LYS A 28 -2.891 -3.409 5.053 1.00 0.00 C ATOM 476 CD LYS A 28 -1.967 -4.505 5.590 1.00 0.00 C ATOM 477 CE LYS A 28 -2.240 -4.718 7.081 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.284 -5.782 7.498 1.00 0.00 N ATOM 0 H LYS A 28 -3.491 -3.176 1.370 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.008 -1.465 3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.008 -3.633 3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.400 -2.258 3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.011 -2.623 5.798 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.883 -3.818 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.131 -5.434 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.925 -4.224 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.081 -3.800 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.272 -5.024 7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.410 -5.984 8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.464 -6.646 6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.310 -5.460 7.328 1.00 0.00 H new ATOM 492 N VAL A 29 -2.623 0.384 2.910 1.00 0.00 N ATOM 493 CA VAL A 29 -1.926 1.534 2.260 1.00 0.00 C ATOM 494 C VAL A 29 -0.548 1.721 2.895 1.00 0.00 C ATOM 495 O VAL A 29 -0.430 1.948 4.084 1.00 0.00 O ATOM 496 CB VAL A 29 -2.814 2.752 2.531 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.219 3.976 1.836 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.228 2.498 1.992 1.00 0.00 C ATOM 0 H VAL A 29 -3.060 0.597 3.806 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.775 1.380 1.191 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.866 2.927 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.849 4.845 2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.217 4.162 2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.166 3.795 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.854 3.368 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.181 2.319 0.918 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.655 1.625 2.487 1.00 0.00 H new ATOM 508 N TYR A 30 0.496 1.592 2.117 1.00 0.00 N ATOM 509 CA TYR A 30 1.874 1.716 2.678 1.00 0.00 C ATOM 510 C TYR A 30 2.416 3.136 2.501 1.00 0.00 C ATOM 511 O TYR A 30 2.654 3.579 1.395 1.00 0.00 O ATOM 512 CB TYR A 30 2.721 0.741 1.862 1.00 0.00 C ATOM 513 CG TYR A 30 2.376 -0.676 2.237 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.137 -1.214 1.874 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.299 -1.454 2.944 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.820 -2.531 2.219 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.983 -2.770 3.289 1.00 0.00 C ATOM 518 CZ TYR A 30 1.743 -3.312 2.927 1.00 0.00 C ATOM 519 OH TYR A 30 1.431 -4.612 3.268 1.00 0.00 O ATOM 0 H TYR A 30 0.453 1.406 1.115 1.00 0.00 H new ATOM 0 HA TYR A 30 1.889 1.501 3.746 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.547 0.897 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.780 0.927 2.042 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.426 -0.612 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.255 -1.037 3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.137 -2.947 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.695 -3.370 3.835 1.00 0.00 H new ATOM 0 HH TYR A 30 2.182 -5.012 3.755 1.00 0.00 H new ATOM 529 N ASP A 31 2.785 3.770 3.584 1.00 0.00 N ATOM 530 CA ASP A 31 3.515 5.069 3.481 1.00 0.00 C ATOM 531 C ASP A 31 5.004 4.811 3.708 1.00 0.00 C ATOM 532 O ASP A 31 5.489 4.874 4.822 1.00 0.00 O ATOM 533 CB ASP A 31 2.936 5.947 4.590 1.00 0.00 C ATOM 534 CG ASP A 31 3.487 7.369 4.458 1.00 0.00 C ATOM 535 OD1 ASP A 31 4.634 7.505 4.065 1.00 0.00 O ATOM 536 OD2 ASP A 31 2.752 8.297 4.752 1.00 0.00 O ATOM 0 H ASP A 31 2.612 3.444 4.535 1.00 0.00 H new ATOM 0 HA ASP A 31 3.405 5.548 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.848 5.960 4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.194 5.535 5.566 1.00 0.00 H new ATOM 541 N LEU A 32 5.705 4.417 2.676 1.00 0.00 N ATOM 542 CA LEU A 32 7.141 4.027 2.845 1.00 0.00 C ATOM 543 C LEU A 32 8.056 5.211 2.516 1.00 0.00 C ATOM 544 O LEU A 32 9.191 5.031 2.115 1.00 0.00 O ATOM 545 CB LEU A 32 7.403 2.866 1.859 1.00 0.00 C ATOM 546 CG LEU A 32 6.224 1.865 1.842 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.498 1.959 0.494 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.741 0.431 2.048 1.00 0.00 C ATOM 0 H LEU A 32 5.347 4.348 1.723 1.00 0.00 H new ATOM 0 HA LEU A 32 7.346 3.727 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.558 3.265 0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.319 2.347 2.140 1.00 0.00 H new ATOM 0 HG LEU A 32 5.536 2.111 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.666 1.255 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.119 2.971 0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.192 1.718 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.901 -0.264 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.436 0.176 1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.252 0.363 3.008 1.00 0.00 H new ATOM 560 N THR A 33 7.590 6.417 2.728 1.00 0.00 N ATOM 561 CA THR A 33 8.455 7.613 2.478 1.00 0.00 C ATOM 562 C THR A 33 9.704 7.559 3.364 1.00 0.00 C ATOM 563 O THR A 33 10.764 8.020 2.985 1.00 0.00 O ATOM 564 CB THR A 33 7.588 8.830 2.832 1.00 0.00 C ATOM 565 OG1 THR A 33 8.344 10.017 2.636 1.00 0.00 O ATOM 566 CG2 THR A 33 7.136 8.749 4.294 1.00 0.00 C ATOM 0 H THR A 33 6.649 6.626 3.063 1.00 0.00 H new ATOM 0 HA THR A 33 8.801 7.657 1.445 1.00 0.00 H new ATOM 0 HB THR A 33 6.708 8.841 2.189 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.793 10.796 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.522 9.617 4.534 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.554 7.840 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.010 8.732 4.945 1.00 0.00 H new ATOM 574 N LYS A 34 9.600 6.935 4.511 1.00 0.00 N ATOM 575 CA LYS A 34 10.794 6.773 5.393 1.00 0.00 C ATOM 576 C LYS A 34 11.692 5.659 4.852 1.00 0.00 C ATOM 577 O LYS A 34 12.902 5.791 4.810 1.00 0.00 O ATOM 578 CB LYS A 34 10.231 6.392 6.763 1.00 0.00 C ATOM 579 CG LYS A 34 9.958 7.658 7.576 1.00 0.00 C ATOM 580 CD LYS A 34 11.281 8.357 7.894 1.00 0.00 C ATOM 581 CE LYS A 34 11.092 9.291 9.092 1.00 0.00 C ATOM 582 NZ LYS A 34 12.450 9.833 9.375 1.00 0.00 N ATOM 0 H LYS A 34 8.737 6.530 4.874 1.00 0.00 H new ATOM 0 HA LYS A 34 11.399 7.678 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.311 5.820 6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.937 5.753 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.306 8.328 7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.438 7.404 8.500 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.051 7.618 8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.622 8.924 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.388 10.091 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.694 8.754 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.402 10.483 10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.097 9.050 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.800 10.345 8.540 1.00 0.00 H new ATOM 596 N PHE A 35 11.101 4.591 4.380 1.00 0.00 N ATOM 597 CA PHE A 35 11.907 3.489 3.769 1.00 0.00 C ATOM 598 C PHE A 35 12.605 3.998 2.503 1.00 0.00 C ATOM 599 O PHE A 35 13.747 3.672 2.241 1.00 0.00 O ATOM 600 CB PHE A 35 10.892 2.393 3.425 1.00 0.00 C ATOM 601 CG PHE A 35 11.598 1.215 2.796 1.00 0.00 C ATOM 602 CD1 PHE A 35 11.961 1.259 1.444 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.889 0.079 3.561 1.00 0.00 C ATOM 604 CE1 PHE A 35 12.615 0.169 0.859 1.00 0.00 C ATOM 605 CE2 PHE A 35 12.542 -1.012 2.975 1.00 0.00 C ATOM 606 CZ PHE A 35 12.905 -0.966 1.624 1.00 0.00 C ATOM 0 H PHE A 35 10.093 4.434 4.391 1.00 0.00 H new ATOM 0 HA PHE A 35 12.684 3.120 4.438 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.368 2.075 4.326 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.139 2.784 2.741 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.736 2.134 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.610 0.044 4.604 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.896 0.204 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.765 -1.889 3.565 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.409 -1.807 1.172 1.00 0.00 H new ATOM 616 N LEU A 36 11.936 4.827 1.743 1.00 0.00 N ATOM 617 CA LEU A 36 12.569 5.402 0.516 1.00 0.00 C ATOM 618 C LEU A 36 13.805 6.223 0.896 1.00 0.00 C ATOM 619 O LEU A 36 14.774 6.277 0.163 1.00 0.00 O ATOM 620 CB LEU A 36 11.500 6.306 -0.104 1.00 0.00 C ATOM 621 CG LEU A 36 11.743 6.432 -1.609 1.00 0.00 C ATOM 622 CD1 LEU A 36 10.601 7.228 -2.244 1.00 0.00 C ATOM 623 CD2 LEU A 36 13.067 7.161 -1.854 1.00 0.00 C ATOM 0 H LEU A 36 10.978 5.131 1.919 1.00 0.00 H new ATOM 0 HA LEU A 36 12.897 4.627 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.508 5.893 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.527 7.291 0.363 1.00 0.00 H new ATOM 0 HG LEU A 36 11.787 5.438 -2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.773 7.319 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.657 6.712 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.558 8.222 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.240 7.251 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.023 8.155 -1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 36 13.882 6.597 -1.401 1.00 0.00 H new ATOM 635 N GLU A 37 13.784 6.835 2.053 1.00 0.00 N ATOM 636 CA GLU A 37 14.965 7.629 2.510 1.00 0.00 C ATOM 637 C GLU A 37 15.916 6.752 3.333 1.00 0.00 C ATOM 638 O GLU A 37 17.104 7.005 3.394 1.00 0.00 O ATOM 639 CB GLU A 37 14.379 8.743 3.379 1.00 0.00 C ATOM 640 CG GLU A 37 15.456 9.794 3.655 1.00 0.00 C ATOM 641 CD GLU A 37 14.859 10.930 4.488 1.00 0.00 C ATOM 642 OE1 GLU A 37 13.843 11.468 4.078 1.00 0.00 O ATOM 643 OE2 GLU A 37 15.428 11.243 5.521 1.00 0.00 O ATOM 0 H GLU A 37 12.998 6.819 2.703 1.00 0.00 H new ATOM 0 HA GLU A 37 15.544 8.021 1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.528 9.202 2.876 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.009 8.330 4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.294 9.341 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.847 10.184 2.716 1.00 0.00 H new ATOM 650 N GLU A 38 15.408 5.705 3.936 1.00 0.00 N ATOM 651 CA GLU A 38 16.288 4.789 4.722 1.00 0.00 C ATOM 652 C GLU A 38 17.030 3.831 3.784 1.00 0.00 C ATOM 653 O GLU A 38 18.125 3.390 4.077 1.00 0.00 O ATOM 654 CB GLU A 38 15.340 4.013 5.638 1.00 0.00 C ATOM 655 CG GLU A 38 16.077 3.612 6.917 1.00 0.00 C ATOM 656 CD GLU A 38 16.012 4.760 7.924 1.00 0.00 C ATOM 657 OE1 GLU A 38 14.965 5.379 8.022 1.00 0.00 O ATOM 658 OE2 GLU A 38 17.011 5.003 8.582 1.00 0.00 O ATOM 0 H GLU A 38 14.422 5.446 3.917 1.00 0.00 H new ATOM 0 HA GLU A 38 17.046 5.332 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.472 4.625 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.969 3.125 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 38 15.627 2.715 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.116 3.371 6.691 1.00 0.00 H new ATOM 665 N HIS A 39 16.461 3.545 2.640 1.00 0.00 N ATOM 666 CA HIS A 39 17.150 2.659 1.654 1.00 0.00 C ATOM 667 C HIS A 39 17.609 3.481 0.439 1.00 0.00 C ATOM 668 O HIS A 39 16.820 3.749 -0.447 1.00 0.00 O ATOM 669 CB HIS A 39 16.097 1.630 1.243 1.00 0.00 C ATOM 670 CG HIS A 39 15.696 0.815 2.442 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.186 -0.463 2.666 1.00 0.00 N ATOM 672 CD2 HIS A 39 14.855 1.081 3.493 1.00 0.00 C ATOM 673 CE1 HIS A 39 15.641 -0.912 3.811 1.00 0.00 C ATOM 674 NE2 HIS A 39 14.822 -0.009 4.357 1.00 0.00 N ATOM 0 H HIS A 39 15.547 3.888 2.346 1.00 0.00 H new ATOM 0 HA HIS A 39 18.038 2.185 2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 39 15.226 2.133 0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 39 16.494 0.979 0.464 1.00 0.00 H new ATOM 0 HD2 HIS A 39 14.302 1.999 3.629 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.841 -1.884 4.237 1.00 0.00 H new ATOM 0 HE2 HIS A 39 14.288 -0.099 5.221 1.00 0.00 H new ATOM 682 N PRO A 40 18.873 3.863 0.426 1.00 0.00 N ATOM 683 CA PRO A 40 19.416 4.667 -0.708 1.00 0.00 C ATOM 684 C PRO A 40 19.106 3.998 -2.055 1.00 0.00 C ATOM 685 O PRO A 40 19.768 3.060 -2.458 1.00 0.00 O ATOM 686 CB PRO A 40 20.920 4.684 -0.451 1.00 0.00 C ATOM 687 CG PRO A 40 21.063 4.464 1.020 1.00 0.00 C ATOM 688 CD PRO A 40 19.906 3.599 1.443 1.00 0.00 C ATOM 0 HA PRO A 40 18.981 5.665 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 40 21.426 3.903 -1.018 1.00 0.00 H new ATOM 0 HB3 PRO A 40 21.361 5.634 -0.753 1.00 0.00 H new ATOM 0 HG2 PRO A 40 22.012 3.979 1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 40 21.053 5.413 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 40 20.183 2.545 1.466 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.558 3.859 2.443 1.00 0.00 H new ATOM 696 N GLY A 41 18.124 4.497 -2.758 1.00 0.00 N ATOM 697 CA GLY A 41 17.782 3.926 -4.093 1.00 0.00 C ATOM 698 C GLY A 41 16.269 3.994 -4.299 1.00 0.00 C ATOM 699 O GLY A 41 15.626 2.999 -4.576 1.00 0.00 O ATOM 0 H GLY A 41 17.541 5.280 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.293 4.480 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.123 2.893 -4.158 1.00 0.00 H new ATOM 703 N GLY A 42 15.701 5.169 -4.187 1.00 0.00 N ATOM 704 CA GLY A 42 14.233 5.321 -4.401 1.00 0.00 C ATOM 705 C GLY A 42 13.907 5.147 -5.884 1.00 0.00 C ATOM 706 O GLY A 42 13.507 6.080 -6.555 1.00 0.00 O ATOM 0 H GLY A 42 16.195 6.031 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.691 4.582 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.906 6.303 -4.060 1.00 0.00 H new ATOM 710 N GLU A 43 14.027 3.944 -6.384 1.00 0.00 N ATOM 711 CA GLU A 43 13.673 3.679 -7.810 1.00 0.00 C ATOM 712 C GLU A 43 12.934 2.344 -7.925 1.00 0.00 C ATOM 713 O GLU A 43 11.905 2.247 -8.569 1.00 0.00 O ATOM 714 CB GLU A 43 15.010 3.619 -8.548 1.00 0.00 C ATOM 715 CG GLU A 43 14.861 4.255 -9.931 1.00 0.00 C ATOM 716 CD GLU A 43 16.212 4.808 -10.388 1.00 0.00 C ATOM 717 OE1 GLU A 43 16.919 5.352 -9.556 1.00 0.00 O ATOM 718 OE2 GLU A 43 16.517 4.679 -11.563 1.00 0.00 O ATOM 0 H GLU A 43 14.356 3.131 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 43 13.017 4.445 -8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.776 4.143 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.337 2.584 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.498 3.516 -10.645 1.00 0.00 H new ATOM 0 HG3 GLU A 43 14.122 5.055 -9.897 1.00 0.00 H new ATOM 725 N GLU A 44 13.431 1.326 -7.269 1.00 0.00 N ATOM 726 CA GLU A 44 12.740 0.003 -7.293 1.00 0.00 C ATOM 727 C GLU A 44 11.927 -0.196 -6.010 1.00 0.00 C ATOM 728 O GLU A 44 10.930 -0.894 -6.003 1.00 0.00 O ATOM 729 CB GLU A 44 13.866 -1.029 -7.379 1.00 0.00 C ATOM 730 CG GLU A 44 14.641 -0.833 -8.684 1.00 0.00 C ATOM 731 CD GLU A 44 15.231 -2.170 -9.134 1.00 0.00 C ATOM 732 OE1 GLU A 44 16.002 -2.739 -8.378 1.00 0.00 O ATOM 733 OE2 GLU A 44 14.900 -2.603 -10.225 1.00 0.00 O ATOM 0 H GLU A 44 14.288 1.355 -6.717 1.00 0.00 H new ATOM 0 HA GLU A 44 12.042 -0.082 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.537 -0.923 -6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.454 -2.037 -7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.980 -0.437 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.437 -0.102 -8.540 1.00 0.00 H new ATOM 740 N VAL A 45 12.339 0.421 -4.929 1.00 0.00 N ATOM 741 CA VAL A 45 11.582 0.277 -3.644 1.00 0.00 C ATOM 742 C VAL A 45 10.136 0.767 -3.816 1.00 0.00 C ATOM 743 O VAL A 45 9.860 1.950 -3.796 1.00 0.00 O ATOM 744 CB VAL A 45 12.342 1.130 -2.617 1.00 0.00 C ATOM 745 CG1 VAL A 45 13.775 0.613 -2.483 1.00 0.00 C ATOM 746 CG2 VAL A 45 12.384 2.595 -3.064 1.00 0.00 C ATOM 0 H VAL A 45 13.165 1.017 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 45 11.519 -0.762 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 45 11.826 1.061 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 45 14.314 1.219 -1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 45 13.758 -0.425 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 45 14.276 0.676 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.926 3.185 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 45 12.889 2.667 -4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.367 2.976 -3.158 1.00 0.00 H new ATOM 756 N LEU A 46 9.203 -0.151 -3.908 1.00 0.00 N ATOM 757 CA LEU A 46 7.752 0.221 -3.992 1.00 0.00 C ATOM 758 C LEU A 46 7.514 1.327 -5.033 1.00 0.00 C ATOM 759 O LEU A 46 6.560 2.076 -4.945 1.00 0.00 O ATOM 760 CB LEU A 46 7.398 0.711 -2.588 1.00 0.00 C ATOM 761 CG LEU A 46 7.667 -0.410 -1.570 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.458 0.151 -0.387 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.339 -0.988 -1.074 1.00 0.00 C ATOM 0 H LEU A 46 9.386 -1.154 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 46 7.135 -0.620 -4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.989 1.592 -2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.350 1.009 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 46 8.245 -1.200 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.648 -0.644 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.407 0.553 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.884 0.944 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.534 -1.782 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.755 -0.201 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.781 -1.394 -1.918 1.00 0.00 H new ATOM 1078 N GLU A 69 11.483 -8.142 5.251 1.00 0.00 N ATOM 1079 CA GLU A 69 10.631 -7.048 4.700 1.00 0.00 C ATOM 1080 C GLU A 69 9.877 -6.344 5.831 1.00 0.00 C ATOM 1081 O GLU A 69 8.928 -6.873 6.378 1.00 0.00 O ATOM 1082 CB GLU A 69 9.652 -7.746 3.755 1.00 0.00 C ATOM 1083 CG GLU A 69 10.399 -8.234 2.513 1.00 0.00 C ATOM 1084 CD GLU A 69 10.726 -7.041 1.612 1.00 0.00 C ATOM 1085 OE1 GLU A 69 9.911 -6.136 1.542 1.00 0.00 O ATOM 1086 OE2 GLU A 69 11.785 -7.053 1.009 1.00 0.00 O ATOM 0 HA GLU A 69 11.218 -6.286 4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.179 -8.587 4.261 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.856 -7.059 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.316 -8.745 2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.790 -8.957 1.970 1.00 0.00 H new ATOM 1093 N LEU A 70 10.274 -5.139 6.160 1.00 0.00 N ATOM 1094 CA LEU A 70 9.560 -4.373 7.229 1.00 0.00 C ATOM 1095 C LEU A 70 8.432 -3.515 6.635 1.00 0.00 C ATOM 1096 O LEU A 70 7.967 -2.580 7.259 1.00 0.00 O ATOM 1097 CB LEU A 70 10.637 -3.488 7.871 1.00 0.00 C ATOM 1098 CG LEU A 70 11.230 -2.524 6.824 1.00 0.00 C ATOM 1099 CD1 LEU A 70 10.875 -1.080 7.189 1.00 0.00 C ATOM 1100 CD2 LEU A 70 12.755 -2.675 6.786 1.00 0.00 C ATOM 0 H LEU A 70 11.063 -4.652 5.734 1.00 0.00 H new ATOM 0 HA LEU A 70 9.087 -5.035 7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.207 -2.920 8.696 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.427 -4.111 8.291 1.00 0.00 H new ATOM 0 HG LEU A 70 10.815 -2.765 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.296 -0.403 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.791 -0.966 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.284 -0.842 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.170 -1.992 6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.168 -2.441 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 70 13.013 -3.700 6.519 1.00 0.00 H new ATOM 1112 N SER A 71 7.961 -3.846 5.455 1.00 0.00 N ATOM 1113 CA SER A 71 6.832 -3.071 4.850 1.00 0.00 C ATOM 1114 C SER A 71 5.583 -3.172 5.734 1.00 0.00 C ATOM 1115 O SER A 71 4.748 -2.289 5.739 1.00 0.00 O ATOM 1116 CB SER A 71 6.576 -3.720 3.490 1.00 0.00 C ATOM 1117 OG SER A 71 6.658 -5.134 3.621 1.00 0.00 O ATOM 0 H SER A 71 8.309 -4.618 4.887 1.00 0.00 H new ATOM 0 HA SER A 71 7.071 -2.012 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.592 -3.434 3.117 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.307 -3.368 2.763 1.00 0.00 H new ATOM 0 HG SER A 71 6.493 -5.553 2.751 1.00 0.00 H new ATOM 1123 N LYS A 72 5.465 -4.231 6.495 1.00 0.00 N ATOM 1124 CA LYS A 72 4.284 -4.382 7.402 1.00 0.00 C ATOM 1125 C LYS A 72 4.339 -3.359 8.544 1.00 0.00 C ATOM 1126 O LYS A 72 3.327 -3.020 9.127 1.00 0.00 O ATOM 1127 CB LYS A 72 4.371 -5.812 7.951 1.00 0.00 C ATOM 1128 CG LYS A 72 5.704 -6.016 8.681 1.00 0.00 C ATOM 1129 CD LYS A 72 5.581 -7.195 9.649 1.00 0.00 C ATOM 1130 CE LYS A 72 6.620 -7.052 10.763 1.00 0.00 C ATOM 1131 NZ LYS A 72 7.775 -7.881 10.318 1.00 0.00 N ATOM 0 H LYS A 72 6.136 -4.999 6.528 1.00 0.00 H new ATOM 0 HA LYS A 72 3.346 -4.207 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.542 -5.999 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.281 -6.529 7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.500 -6.205 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.975 -5.111 9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.578 -7.227 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.731 -8.134 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.911 -6.011 10.901 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.227 -7.402 11.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.531 -7.834 11.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.469 -8.868 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.132 -7.520 9.410 1.00 0.00 H new ATOM 1145 N THR A 73 5.507 -2.851 8.854 1.00 0.00 N ATOM 1146 CA THR A 73 5.620 -1.832 9.944 1.00 0.00 C ATOM 1147 C THR A 73 5.540 -0.413 9.367 1.00 0.00 C ATOM 1148 O THR A 73 5.177 0.522 10.056 1.00 0.00 O ATOM 1149 CB THR A 73 6.991 -2.068 10.591 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.019 -1.835 9.634 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.077 -3.507 11.114 1.00 0.00 C ATOM 0 H THR A 73 6.386 -3.098 8.400 1.00 0.00 H new ATOM 0 HA THR A 73 4.810 -1.928 10.667 1.00 0.00 H new ATOM 0 HB THR A 73 7.119 -1.379 11.426 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.071 -2.596 9.018 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.052 -3.670 11.573 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.295 -3.672 11.856 1.00 0.00 H new ATOM 0 HG23 THR A 73 6.945 -4.204 10.286 1.00 0.00 H new ATOM 1159 N TYR A 74 5.855 -0.248 8.105 1.00 0.00 N ATOM 1160 CA TYR A 74 5.773 1.105 7.478 1.00 0.00 C ATOM 1161 C TYR A 74 4.404 1.309 6.820 1.00 0.00 C ATOM 1162 O TYR A 74 4.305 1.840 5.729 1.00 0.00 O ATOM 1163 CB TYR A 74 6.883 1.119 6.425 1.00 0.00 C ATOM 1164 CG TYR A 74 8.171 1.607 7.048 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.663 1.004 8.213 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.875 2.665 6.460 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.856 1.457 8.788 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.069 3.118 7.034 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.559 2.514 8.198 1.00 0.00 C ATOM 1170 OH TYR A 74 11.735 2.961 8.764 1.00 0.00 O ATOM 0 H TYR A 74 6.166 -0.994 7.483 1.00 0.00 H new ATOM 0 HA TYR A 74 5.891 1.905 8.209 1.00 0.00 H new ATOM 0 HB2 TYR A 74 7.022 0.118 6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.601 1.766 5.595 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.121 0.188 8.668 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.497 3.132 5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.234 0.991 9.686 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.612 3.933 6.579 1.00 0.00 H new ATOM 0 HH TYR A 74 12.096 3.699 8.229 1.00 0.00 H new ATOM 1180 N ILE A 75 3.349 0.935 7.497 1.00 0.00 N ATOM 1181 CA ILE A 75 1.979 1.154 6.938 1.00 0.00 C ATOM 1182 C ILE A 75 1.274 2.275 7.708 1.00 0.00 C ATOM 1183 O ILE A 75 1.705 2.673 8.775 1.00 0.00 O ATOM 1184 CB ILE A 75 1.241 -0.177 7.125 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.019 -1.304 6.433 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.153 -0.076 6.504 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.352 -2.649 6.732 1.00 0.00 C ATOM 0 H ILE A 75 3.376 0.487 8.413 1.00 0.00 H new ATOM 0 HA ILE A 75 2.006 1.451 5.890 1.00 0.00 H new ATOM 0 HB ILE A 75 1.157 -0.394 8.190 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.047 -1.132 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.052 -1.314 6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.679 -1.021 6.636 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.712 0.722 6.993 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.062 0.143 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.907 -3.448 6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.347 -2.821 7.808 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.327 -2.637 6.362 1.00 0.00 H new ATOM 1199 N ILE A 76 0.188 2.779 7.179 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.560 3.871 7.879 1.00 0.00 C ATOM 1201 C ILE A 76 -2.007 3.448 8.157 1.00 0.00 C ATOM 1202 O ILE A 76 -2.577 3.799 9.174 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.521 5.074 6.926 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.071 4.679 5.547 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.924 5.554 6.779 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.157 5.918 4.654 1.00 0.00 C ATOM 0 H ILE A 76 -0.215 2.482 6.290 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.114 4.107 8.845 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.138 5.873 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.425 3.931 5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.057 4.226 5.654 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.957 6.408 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.311 5.848 7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.536 4.748 6.374 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.547 5.635 3.676 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.821 6.651 5.112 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.164 6.352 4.537 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.593 2.675 7.279 1.00 0.00 N ATOM 1219 CA GLY A 77 -3.990 2.201 7.502 1.00 0.00 C ATOM 1220 C GLY A 77 -4.375 1.228 6.390 1.00 0.00 C ATOM 1221 O GLY A 77 -3.533 0.541 5.841 1.00 0.00 O ATOM 0 H GLY A 77 -2.161 2.351 6.414 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.070 1.712 8.473 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.676 3.048 7.514 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.627 1.209 6.013 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.056 0.332 4.886 1.00 0.00 C ATOM 1227 C GLU A 78 -6.942 1.113 3.913 1.00 0.00 C ATOM 1228 O GLU A 78 -7.168 2.297 4.082 1.00 0.00 O ATOM 1229 CB GLU A 78 -6.845 -0.802 5.535 1.00 0.00 C ATOM 1230 CG GLU A 78 -5.877 -1.851 6.088 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.666 -3.062 6.588 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.574 -3.482 5.891 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -6.347 -3.550 7.660 1.00 0.00 O ATOM 0 H GLU A 78 -6.370 1.764 6.438 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.207 -0.041 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.470 -0.411 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.513 -1.258 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.174 -2.157 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.289 -1.426 6.902 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.471 0.449 2.917 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.377 1.139 1.950 1.00 0.00 C ATOM 1242 C LEU A 79 -9.830 0.711 2.182 1.00 0.00 C ATOM 1243 O LEU A 79 -10.096 -0.305 2.797 1.00 0.00 O ATOM 1244 CB LEU A 79 -7.900 0.691 0.568 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.650 1.477 -0.510 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.721 1.734 -1.700 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.866 0.669 -0.976 1.00 0.00 C ATOM 0 H LEU A 79 -7.314 -0.542 2.732 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.346 2.223 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.827 0.854 0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.073 -0.378 0.441 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.981 2.430 -0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.257 2.294 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.856 2.309 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.387 0.782 -2.113 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.401 1.227 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.534 -0.285 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.529 0.489 -0.130 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.768 1.467 1.666 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.207 1.096 1.819 1.00 0.00 C ATOM 1261 C HIS A 80 -12.598 0.037 0.770 1.00 0.00 C ATOM 1262 O HIS A 80 -12.522 0.300 -0.413 1.00 0.00 O ATOM 1263 CB HIS A 80 -12.976 2.396 1.573 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.232 2.400 2.400 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.143 1.356 2.366 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.742 3.313 3.289 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.145 1.663 3.210 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -15.950 2.845 3.799 1.00 0.00 N ATOM 0 H HIS A 80 -10.597 2.327 1.144 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.422 0.670 2.799 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.355 3.253 1.832 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.224 2.490 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.277 4.251 3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.002 1.031 3.389 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.556 3.306 4.477 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.009 -1.134 1.225 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.405 -2.220 0.280 1.00 0.00 C ATOM 1278 C PRO A 81 -14.462 -1.729 -0.723 1.00 0.00 C ATOM 1279 O PRO A 81 -14.611 -2.282 -1.795 1.00 0.00 O ATOM 1280 CB PRO A 81 -13.997 -3.293 1.192 1.00 0.00 C ATOM 1281 CG PRO A 81 -13.371 -3.051 2.524 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.140 -1.568 2.628 1.00 0.00 C ATOM 0 HA PRO A 81 -12.566 -2.577 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.083 -3.212 1.245 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.770 -4.294 0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.021 -3.399 3.327 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -12.432 -3.597 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.971 -1.068 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.241 -1.342 3.202 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.194 -0.696 -0.380 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.243 -0.165 -1.311 1.00 0.00 C ATOM 1292 C ASP A 82 -15.637 0.186 -2.676 1.00 0.00 C ATOM 1293 O ASP A 82 -16.144 -0.216 -3.706 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.784 1.094 -0.629 1.00 0.00 C ATOM 1295 CG ASP A 82 -18.270 1.252 -0.955 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -18.981 0.262 -0.883 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.673 2.360 -1.269 1.00 0.00 O ATOM 0 H ASP A 82 -15.111 -0.196 0.505 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.025 -0.901 -1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.643 1.025 0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -16.231 1.970 -0.968 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.550 0.917 -2.688 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.899 1.278 -3.983 1.00 0.00 C ATOM 1304 C ASP A 83 -12.799 0.269 -4.337 1.00 0.00 C ATOM 1305 O ASP A 83 -12.448 0.109 -5.491 1.00 0.00 O ATOM 1306 CB ASP A 83 -13.299 2.663 -3.749 1.00 0.00 C ATOM 1307 CG ASP A 83 -14.424 3.684 -3.572 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -15.177 3.876 -4.512 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -14.516 4.256 -2.498 1.00 0.00 O ATOM 0 H ASP A 83 -14.086 1.279 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.607 1.270 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.663 2.650 -2.864 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.668 2.944 -4.592 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.274 -0.431 -3.360 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.218 -1.455 -3.648 1.00 0.00 C ATOM 1316 C ARG A 84 -11.745 -2.505 -4.631 1.00 0.00 C ATOM 1317 O ARG A 84 -11.096 -2.834 -5.606 1.00 0.00 O ATOM 1318 CB ARG A 84 -10.901 -2.101 -2.296 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.412 -2.445 -2.231 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.124 -3.647 -3.134 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.894 -4.780 -2.531 1.00 0.00 N ATOM 1322 CZ ARG A 84 -10.207 -5.850 -3.236 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -9.824 -5.987 -4.485 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -10.915 -6.795 -2.680 1.00 0.00 N ATOM 0 H ARG A 84 -12.530 -0.338 -2.377 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.334 -1.009 -4.103 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -11.164 -1.421 -1.486 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.499 -3.002 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -8.816 -1.589 -2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.125 -2.671 -1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.442 -3.455 -4.159 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.057 -3.869 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.183 -4.724 -1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.271 -5.256 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.080 -6.825 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.220 -6.701 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.164 -7.627 -3.214 1.00 0.00 H new ATOM 1338 N SER A 85 -12.937 -2.997 -4.404 1.00 0.00 N ATOM 1339 CA SER A 85 -13.537 -3.987 -5.349 1.00 0.00 C ATOM 1340 C SER A 85 -14.346 -3.281 -6.449 1.00 0.00 C ATOM 1341 O SER A 85 -15.011 -3.924 -7.238 1.00 0.00 O ATOM 1342 CB SER A 85 -14.454 -4.849 -4.483 1.00 0.00 C ATOM 1343 OG SER A 85 -13.732 -5.982 -4.017 1.00 0.00 O ATOM 0 H SER A 85 -13.521 -2.755 -3.604 1.00 0.00 H new ATOM 0 HA SER A 85 -12.773 -4.574 -5.859 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.827 -4.269 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.322 -5.169 -5.059 1.00 0.00 H new ATOM 0 HG SER A 85 -14.317 -6.536 -3.460 1.00 0.00 H new ATOM 1349 N LYS A 86 -14.278 -1.967 -6.528 1.00 0.00 N ATOM 1350 CA LYS A 86 -15.023 -1.224 -7.600 1.00 0.00 C ATOM 1351 C LYS A 86 -16.512 -1.584 -7.563 1.00 0.00 C ATOM 1352 O LYS A 86 -17.085 -2.009 -8.549 1.00 0.00 O ATOM 1353 CB LYS A 86 -14.391 -1.665 -8.925 1.00 0.00 C ATOM 1354 CG LYS A 86 -14.645 -0.597 -9.992 1.00 0.00 C ATOM 1355 CD LYS A 86 -13.462 -0.552 -10.961 1.00 0.00 C ATOM 1356 CE LYS A 86 -12.419 0.444 -10.449 1.00 0.00 C ATOM 1357 NZ LYS A 86 -11.895 1.113 -11.672 1.00 0.00 N ATOM 0 H LYS A 86 -13.737 -1.378 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 86 -14.956 -0.144 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.320 -1.818 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -14.813 -2.619 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -15.564 -0.820 -10.534 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.781 0.377 -9.522 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.018 -1.543 -11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.803 -0.259 -11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.865 1.166 -9.764 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.623 -0.063 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.173 1.812 -11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.471 0.402 -12.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.674 1.593 -12.166 1.00 0.00 H new ATOM 1371 N ILE A 87 -17.142 -1.394 -6.433 1.00 0.00 N ATOM 1372 CA ILE A 87 -18.600 -1.697 -6.317 1.00 0.00 C ATOM 1373 C ILE A 87 -19.286 -0.671 -5.411 1.00 0.00 C ATOM 1374 O ILE A 87 -20.273 -0.966 -4.764 1.00 0.00 O ATOM 1375 CB ILE A 87 -18.689 -3.107 -5.707 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -17.882 -3.192 -4.400 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -18.135 -4.126 -6.705 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -18.706 -2.629 -3.243 1.00 0.00 C ATOM 0 H ILE A 87 -16.707 -1.040 -5.581 1.00 0.00 H new ATOM 0 HA ILE A 87 -19.100 -1.651 -7.285 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.734 -3.323 -5.487 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.612 -4.228 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -16.951 -2.634 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.197 -5.126 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.719 -4.089 -7.625 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.094 -3.890 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.129 -2.692 -2.321 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.953 -1.587 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.625 -3.206 -3.136 1.00 0.00 H new