USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 121:sc= 0.237 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.214 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 12 HIS : no HE2:sc= -4.42! C(o=-4.3!,f=-7.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.18) USER MOD Single : A 21 SER OG : rot -8:sc= 0.988 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.299 X(o=0.3,f=-0.032) USER MOD Single : A 33 ASN : amide:sc= 0.794 K(o=0.79,f=-5.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -162:sc= 1.28 (180deg=0.77) USER MOD Single : A 60 TYR OH : rot -163:sc= 0.184 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 84:sc= 0.566 USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= 0.218 (180deg=-0.00347) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 -9.484 -0.093 7.369 1.00 0.00 N ATOM 29 CA LEU A 3 -8.091 -0.521 7.302 1.00 0.00 C ATOM 30 C LEU A 3 -7.275 0.737 7.025 1.00 0.00 C ATOM 31 O LEU A 3 -7.040 1.109 5.875 1.00 0.00 O ATOM 32 CB LEU A 3 -7.912 -1.625 6.236 1.00 0.00 C ATOM 33 CG LEU A 3 -8.700 -2.913 6.567 1.00 0.00 C ATOM 34 CD1 LEU A 3 -8.793 -3.841 5.351 1.00 0.00 C ATOM 35 CD2 LEU A 3 -8.059 -3.678 7.734 1.00 0.00 C ATOM 0 HA LEU A 3 -7.749 -0.976 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.237 -1.245 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.853 -1.866 6.144 1.00 0.00 H new ATOM 0 HG LEU A 3 -9.704 -2.600 6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.353 -4.737 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.302 -3.324 4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.790 -4.123 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.638 -4.578 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.038 -3.955 7.470 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.045 -3.044 8.621 1.00 0.00 H new ATOM 47 N VAL A 4 -6.924 1.434 8.105 1.00 0.00 N ATOM 48 CA VAL A 4 -6.439 2.812 8.105 1.00 0.00 C ATOM 49 C VAL A 4 -5.020 2.842 8.692 1.00 0.00 C ATOM 50 O VAL A 4 -4.609 3.716 9.455 1.00 0.00 O ATOM 51 CB VAL A 4 -7.491 3.661 8.852 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.973 5.062 9.195 1.00 0.00 C ATOM 53 CG2 VAL A 4 -8.756 3.747 7.987 1.00 0.00 C ATOM 0 H VAL A 4 -6.972 1.036 9.043 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.336 3.242 7.109 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.716 3.176 9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.750 5.619 9.719 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -6.093 4.979 9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.707 5.586 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.509 4.344 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.513 4.214 7.032 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.146 2.744 7.812 1.00 0.00 H new ATOM 63 N LEU A 5 -4.221 1.848 8.359 1.00 0.00 N ATOM 64 CA LEU A 5 -2.929 1.692 8.985 1.00 0.00 C ATOM 65 C LEU A 5 -2.212 0.608 8.218 1.00 0.00 C ATOM 66 O LEU A 5 -2.747 -0.503 8.152 1.00 0.00 O ATOM 67 CB LEU A 5 -3.052 1.289 10.470 1.00 0.00 C ATOM 68 CG LEU A 5 -4.231 0.344 10.839 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.776 -0.917 11.565 1.00 0.00 C ATOM 70 CD2 LEU A 5 -5.231 1.078 11.733 1.00 0.00 C ATOM 0 H LEU A 5 -4.445 1.140 7.660 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.387 2.638 8.963 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.122 0.807 10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.146 2.199 11.063 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.691 0.046 9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.643 -1.536 11.796 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.090 -1.476 10.929 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.270 -0.642 12.490 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.053 0.408 11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.733 1.402 12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.621 1.948 11.205 1.00 0.00 H new ATOM 82 N VAL A 6 -1.026 0.869 7.681 1.00 0.00 N ATOM 83 CA VAL A 6 -0.260 -0.197 7.056 1.00 0.00 C ATOM 84 C VAL A 6 1.226 -0.053 7.380 1.00 0.00 C ATOM 85 O VAL A 6 2.080 0.127 6.512 1.00 0.00 O ATOM 86 CB VAL A 6 -0.631 -0.330 5.576 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.340 0.942 4.789 1.00 0.00 C ATOM 88 CG2 VAL A 6 -0.029 -1.616 4.989 1.00 0.00 C ATOM 0 H VAL A 6 -0.584 1.788 7.666 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.526 -1.165 7.480 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.712 -0.441 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.620 0.797 3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.915 1.768 5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.724 1.172 4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.301 -1.698 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.057 -1.585 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.415 -2.479 5.531 1.00 0.00 H new ATOM 98 N LYS A 7 1.548 -0.173 8.665 1.00 0.00 N ATOM 99 CA LYS A 7 2.927 -0.041 9.116 1.00 0.00 C ATOM 100 C LYS A 7 3.414 -1.243 9.928 1.00 0.00 C ATOM 101 O LYS A 7 4.367 -1.109 10.701 1.00 0.00 O ATOM 102 CB LYS A 7 2.985 1.244 9.959 1.00 0.00 C ATOM 103 CG LYS A 7 1.953 1.309 11.102 1.00 0.00 C ATOM 104 CD LYS A 7 2.412 2.345 12.129 1.00 0.00 C ATOM 105 CE LYS A 7 1.269 2.747 13.055 1.00 0.00 C ATOM 106 NZ LYS A 7 1.701 3.777 14.020 1.00 0.00 N ATOM 0 H LYS A 7 0.875 -0.361 9.408 1.00 0.00 H new ATOM 0 HA LYS A 7 3.590 0.005 8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.984 1.339 10.384 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.835 2.101 9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.972 1.577 10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.851 0.331 11.573 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.234 1.938 12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.794 3.227 11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.435 3.125 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.907 1.870 13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.903 4.031 14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.481 3.405 14.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.023 4.621 13.505 1.00 0.00 H new ATOM 120 N TYR A 8 2.978 -2.447 9.578 1.00 0.00 N ATOM 121 CA TYR A 8 3.348 -3.710 10.216 1.00 0.00 C ATOM 122 C TYR A 8 3.274 -4.835 9.176 1.00 0.00 C ATOM 123 O TYR A 8 2.881 -5.957 9.498 1.00 0.00 O ATOM 124 CB TYR A 8 2.341 -4.024 11.342 1.00 0.00 C ATOM 125 CG TYR A 8 2.165 -2.959 12.397 1.00 0.00 C ATOM 126 CD1 TYR A 8 3.256 -2.584 13.198 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.913 -2.347 12.577 1.00 0.00 C ATOM 128 CE1 TYR A 8 3.110 -1.581 14.167 1.00 0.00 C ATOM 129 CE2 TYR A 8 0.756 -1.351 13.551 1.00 0.00 C ATOM 130 CZ TYR A 8 1.856 -0.957 14.343 1.00 0.00 C ATOM 131 OH TYR A 8 1.690 0.007 15.286 1.00 0.00 O ATOM 0 H TYR A 8 2.326 -2.578 8.805 1.00 0.00 H new ATOM 0 HA TYR A 8 4.356 -3.632 10.622 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.370 -4.220 10.888 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.654 -4.945 11.834 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.211 -3.070 13.067 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.073 -2.643 11.966 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.953 -1.287 14.776 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -0.207 -0.885 13.696 1.00 0.00 H new ATOM 0 HH TYR A 8 0.764 0.327 15.267 1.00 0.00 H new ATOM 141 N GLY A 9 3.674 -4.559 7.932 1.00 0.00 N ATOM 142 CA GLY A 9 3.495 -5.485 6.829 1.00 0.00 C ATOM 143 C GLY A 9 2.010 -5.752 6.617 1.00 0.00 C ATOM 144 O GLY A 9 1.250 -4.939 6.084 1.00 0.00 O ATOM 0 H GLY A 9 4.130 -3.685 7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.933 -5.072 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.016 -6.419 7.038 1.00 0.00 H new ATOM 148 N THR A 10 1.594 -6.910 7.083 1.00 0.00 N ATOM 149 CA THR A 10 0.410 -7.583 6.580 1.00 0.00 C ATOM 150 C THR A 10 -0.842 -7.228 7.377 1.00 0.00 C ATOM 151 O THR A 10 -1.316 -8.049 8.165 1.00 0.00 O ATOM 152 CB THR A 10 0.667 -9.096 6.485 1.00 0.00 C ATOM 153 OG1 THR A 10 1.390 -9.595 7.601 1.00 0.00 O ATOM 154 CG2 THR A 10 1.473 -9.409 5.225 1.00 0.00 C ATOM 0 H THR A 10 2.071 -7.417 7.828 1.00 0.00 H new ATOM 0 HA THR A 10 0.207 -7.223 5.571 1.00 0.00 H new ATOM 0 HB THR A 10 -0.311 -9.577 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.528 -10.560 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.651 -10.483 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.916 -9.084 4.346 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.428 -8.884 5.264 1.00 0.00 H new ATOM 162 N ASP A 11 -1.433 -6.044 7.165 1.00 0.00 N ATOM 163 CA ASP A 11 -2.651 -5.687 7.905 1.00 0.00 C ATOM 164 C ASP A 11 -3.605 -4.749 7.136 1.00 0.00 C ATOM 165 O ASP A 11 -4.236 -3.888 7.746 1.00 0.00 O ATOM 166 CB ASP A 11 -2.187 -5.087 9.253 1.00 0.00 C ATOM 167 CG ASP A 11 -3.184 -5.245 10.400 1.00 0.00 C ATOM 168 OD1 ASP A 11 -3.683 -6.378 10.605 1.00 0.00 O ATOM 169 OD2 ASP A 11 -3.365 -4.295 11.203 1.00 0.00 O ATOM 0 H ASP A 11 -1.101 -5.337 6.509 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.257 -6.580 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.247 -5.558 9.540 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.982 -4.026 9.111 1.00 0.00 H new ATOM 174 N HIS A 12 -3.759 -4.927 5.813 1.00 0.00 N ATOM 175 CA HIS A 12 -4.632 -4.144 4.913 1.00 0.00 C ATOM 176 C HIS A 12 -4.684 -4.814 3.522 1.00 0.00 C ATOM 177 O HIS A 12 -3.905 -5.738 3.296 1.00 0.00 O ATOM 178 CB HIS A 12 -4.122 -2.684 4.836 1.00 0.00 C ATOM 179 CG HIS A 12 -3.098 -2.400 3.763 1.00 0.00 C ATOM 180 ND1 HIS A 12 -2.279 -3.305 3.120 1.00 0.00 N ATOM 181 CD2 HIS A 12 -2.888 -1.181 3.181 1.00 0.00 C ATOM 182 CE1 HIS A 12 -1.628 -2.650 2.153 1.00 0.00 C ATOM 183 NE2 HIS A 12 -1.935 -1.347 2.176 1.00 0.00 N ATOM 0 H HIS A 12 -3.253 -5.658 5.314 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.649 -4.120 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.978 -2.028 4.677 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.692 -2.418 5.802 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -2.187 -4.296 3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.373 -0.255 3.451 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.948 -3.109 1.450 1.00 0.00 H new ATOM 191 N PRO A 13 -5.537 -4.411 2.561 1.00 0.00 N ATOM 192 CA PRO A 13 -5.625 -5.089 1.263 1.00 0.00 C ATOM 193 C PRO A 13 -4.431 -4.757 0.359 1.00 0.00 C ATOM 194 O PRO A 13 -3.777 -3.770 0.616 1.00 0.00 O ATOM 195 CB PRO A 13 -6.955 -4.593 0.701 1.00 0.00 C ATOM 196 CG PRO A 13 -7.108 -3.178 1.243 1.00 0.00 C ATOM 197 CD PRO A 13 -6.378 -3.221 2.582 1.00 0.00 C ATOM 0 HA PRO A 13 -5.589 -6.176 1.342 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.950 -4.600 -0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.780 -5.229 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.667 -2.442 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -8.157 -2.908 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.776 -2.324 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.087 -3.263 3.409 1.00 0.00 H new ATOM 205 N VAL A 14 -4.177 -5.539 -0.709 1.00 0.00 N ATOM 206 CA VAL A 14 -3.277 -5.311 -1.849 1.00 0.00 C ATOM 207 C VAL A 14 -3.055 -6.633 -2.580 1.00 0.00 C ATOM 208 O VAL A 14 -2.969 -6.636 -3.798 1.00 0.00 O ATOM 209 CB VAL A 14 -1.960 -4.590 -1.478 1.00 0.00 C ATOM 210 CG1 VAL A 14 -0.707 -5.079 -2.224 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.125 -3.095 -1.805 1.00 0.00 C ATOM 0 H VAL A 14 -4.648 -6.439 -0.800 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.763 -4.610 -2.527 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.798 -4.801 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.160 -4.509 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.548 -6.137 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.844 -4.938 -3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.208 -2.564 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.331 -2.976 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.953 -2.685 -1.227 1.00 0.00 H new ATOM 221 N GLU A 15 -3.039 -7.766 -1.876 1.00 0.00 N ATOM 222 CA GLU A 15 -2.842 -9.077 -2.514 1.00 0.00 C ATOM 223 C GLU A 15 -3.729 -10.150 -1.877 1.00 0.00 C ATOM 224 O GLU A 15 -4.035 -11.169 -2.476 1.00 0.00 O ATOM 225 CB GLU A 15 -1.329 -9.360 -2.545 1.00 0.00 C ATOM 226 CG GLU A 15 -0.763 -9.770 -1.193 1.00 0.00 C ATOM 227 CD GLU A 15 -0.345 -11.237 -1.048 1.00 0.00 C ATOM 228 OE1 GLU A 15 0.267 -11.790 -1.981 1.00 0.00 O ATOM 229 OE2 GLU A 15 -0.585 -11.799 0.042 1.00 0.00 O ATOM 0 H GLU A 15 -3.160 -7.807 -0.864 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.179 -9.085 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.129 -10.150 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.807 -8.469 -2.894 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.104 -9.145 -0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.509 -9.550 -0.429 1.00 0.00 H new ATOM 236 N LYS A 16 -4.304 -9.870 -0.712 1.00 0.00 N ATOM 237 CA LYS A 16 -4.952 -10.865 0.115 1.00 0.00 C ATOM 238 C LYS A 16 -6.134 -10.255 0.830 1.00 0.00 C ATOM 239 O LYS A 16 -7.261 -10.631 0.540 1.00 0.00 O ATOM 240 CB LYS A 16 -3.901 -11.422 1.074 1.00 0.00 C ATOM 241 CG LYS A 16 -4.268 -12.848 1.493 1.00 0.00 C ATOM 242 CD LYS A 16 -3.581 -13.862 0.562 1.00 0.00 C ATOM 243 CE LYS A 16 -4.038 -15.291 0.865 1.00 0.00 C ATOM 244 NZ LYS A 16 -3.004 -16.089 1.554 1.00 0.00 N ATOM 0 H LYS A 16 -4.330 -8.930 -0.316 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.350 -11.685 -0.482 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.922 -11.417 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.828 -10.784 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.962 -13.023 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.349 -12.981 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.807 -13.618 -0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.499 -13.791 0.678 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.936 -15.257 1.482 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.311 -15.786 -0.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.367 -17.047 1.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.155 -16.147 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.760 -15.636 2.458 1.00 0.00 H new ATOM 258 N LEU A 17 -5.940 -9.229 1.665 1.00 0.00 N ATOM 259 CA LEU A 17 -7.084 -8.558 2.282 1.00 0.00 C ATOM 260 C LEU A 17 -8.031 -7.981 1.218 1.00 0.00 C ATOM 261 O LEU A 17 -9.241 -7.986 1.422 1.00 0.00 O ATOM 262 CB LEU A 17 -6.640 -7.527 3.338 1.00 0.00 C ATOM 263 CG LEU A 17 -6.977 -7.868 4.798 1.00 0.00 C ATOM 264 CD1 LEU A 17 -8.486 -7.794 5.027 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.428 -9.227 5.239 1.00 0.00 C ATOM 0 H LEU A 17 -5.027 -8.854 1.923 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.662 -9.304 2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.561 -7.395 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.098 -6.568 3.095 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.481 -7.121 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.709 -8.038 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.838 -6.786 4.807 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.989 -8.505 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.700 -9.409 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.851 -10.011 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.342 -9.230 5.142 1.00 0.00 H new ATOM 277 N LYS A 18 -7.510 -7.610 0.032 1.00 0.00 N ATOM 278 CA LYS A 18 -8.330 -7.135 -1.097 1.00 0.00 C ATOM 279 C LYS A 18 -9.375 -8.172 -1.490 1.00 0.00 C ATOM 280 O LYS A 18 -10.437 -7.854 -1.997 1.00 0.00 O ATOM 281 CB LYS A 18 -7.482 -6.713 -2.332 1.00 0.00 C ATOM 282 CG LYS A 18 -7.421 -7.696 -3.531 1.00 0.00 C ATOM 283 CD LYS A 18 -6.373 -8.784 -3.324 1.00 0.00 C ATOM 284 CE LYS A 18 -6.563 -10.054 -4.161 1.00 0.00 C ATOM 285 NZ LYS A 18 -6.665 -9.895 -5.629 1.00 0.00 N ATOM 0 H LYS A 18 -6.510 -7.632 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.840 -6.237 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.870 -5.762 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.462 -6.532 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.399 -8.157 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.194 -7.143 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.392 -8.366 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.367 -9.062 -2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.728 -10.723 -3.952 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.467 -10.554 -3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.825 -10.824 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.460 -9.264 -5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.782 -9.486 -5.996 1.00 0.00 H new ATOM 299 N ILE A 19 -9.028 -9.441 -1.359 1.00 0.00 N ATOM 300 CA ILE A 19 -9.842 -10.533 -1.839 1.00 0.00 C ATOM 301 C ILE A 19 -11.031 -10.651 -0.884 1.00 0.00 C ATOM 302 O ILE A 19 -12.160 -10.871 -1.313 1.00 0.00 O ATOM 303 CB ILE A 19 -8.895 -11.765 -1.934 1.00 0.00 C ATOM 304 CG1 ILE A 19 -8.835 -12.422 -3.325 1.00 0.00 C ATOM 305 CG2 ILE A 19 -9.031 -12.839 -0.852 1.00 0.00 C ATOM 306 CD1 ILE A 19 -7.447 -13.061 -3.531 1.00 0.00 C ATOM 0 H ILE A 19 -8.162 -9.740 -0.910 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.279 -10.409 -2.830 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.941 -11.276 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.613 -13.180 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.023 -11.678 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.313 -13.637 -1.040 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.836 -12.398 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.041 -13.248 -0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.403 -13.527 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.678 -12.292 -3.459 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.277 -13.817 -2.764 1.00 0.00 H new ATOM 318 N ARG A 20 -10.810 -10.382 0.408 1.00 0.00 N ATOM 319 CA ARG A 20 -11.869 -10.357 1.398 1.00 0.00 C ATOM 320 C ARG A 20 -12.741 -9.113 1.203 1.00 0.00 C ATOM 321 O ARG A 20 -13.945 -9.189 1.443 1.00 0.00 O ATOM 322 CB ARG A 20 -11.253 -10.450 2.804 1.00 0.00 C ATOM 323 CG ARG A 20 -10.463 -11.765 3.023 1.00 0.00 C ATOM 324 CD ARG A 20 -8.972 -11.596 3.342 1.00 0.00 C ATOM 325 NE ARG A 20 -8.525 -12.475 4.434 1.00 0.00 N ATOM 326 CZ ARG A 20 -7.579 -13.419 4.384 1.00 0.00 C ATOM 327 NH1 ARG A 20 -7.049 -13.758 3.217 1.00 0.00 N ATOM 328 NH2 ARG A 20 -7.152 -14.011 5.494 1.00 0.00 N ATOM 0 H ARG A 20 -9.886 -10.176 0.788 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.527 -11.217 1.276 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.588 -9.601 2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.045 -10.378 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.930 -12.317 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.557 -12.378 2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.386 -11.807 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.777 -10.558 3.613 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.990 -12.350 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.363 -13.299 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.327 -14.477 3.174 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.546 -13.747 6.397 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.430 -14.730 5.443 1.00 0.00 H new ATOM 342 N SER A 21 -12.183 -7.979 0.769 1.00 0.00 N ATOM 343 CA SER A 21 -12.930 -6.761 0.467 1.00 0.00 C ATOM 344 C SER A 21 -12.111 -5.844 -0.456 1.00 0.00 C ATOM 345 O SER A 21 -11.194 -5.181 0.030 1.00 0.00 O ATOM 346 CB SER A 21 -13.242 -6.033 1.785 1.00 0.00 C ATOM 347 OG SER A 21 -14.107 -6.808 2.607 1.00 0.00 O ATOM 0 H SER A 21 -11.179 -7.883 0.616 1.00 0.00 H new ATOM 0 HA SER A 21 -13.857 -7.021 -0.044 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.314 -5.829 2.319 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.705 -5.070 1.571 1.00 0.00 H new ATOM 0 HG SER A 21 -14.428 -7.585 2.103 1.00 0.00 H new ATOM 353 N ALA A 22 -12.409 -5.817 -1.764 1.00 0.00 N ATOM 354 CA ALA A 22 -11.986 -4.791 -2.728 1.00 0.00 C ATOM 355 C ALA A 22 -12.602 -5.019 -4.101 1.00 0.00 C ATOM 356 O ALA A 22 -13.029 -6.131 -4.423 1.00 0.00 O ATOM 357 CB ALA A 22 -10.458 -4.784 -2.913 1.00 0.00 C ATOM 0 H ALA A 22 -12.978 -6.544 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.324 -3.841 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.182 -4.013 -3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.977 -4.577 -1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.132 -5.757 -3.281 1.00 0.00 H new ATOM 363 N LYS A 23 -12.489 -4.009 -4.969 1.00 0.00 N ATOM 364 CA LYS A 23 -12.727 -4.112 -6.404 1.00 0.00 C ATOM 365 C LYS A 23 -11.581 -3.461 -7.155 1.00 0.00 C ATOM 366 O LYS A 23 -10.591 -3.057 -6.544 1.00 0.00 O ATOM 367 CB LYS A 23 -14.106 -3.514 -6.761 1.00 0.00 C ATOM 368 CG LYS A 23 -14.809 -4.319 -7.857 1.00 0.00 C ATOM 369 CD LYS A 23 -15.324 -5.652 -7.300 1.00 0.00 C ATOM 370 CE LYS A 23 -16.715 -5.435 -6.713 1.00 0.00 C ATOM 371 NZ LYS A 23 -17.423 -6.717 -6.554 1.00 0.00 N ATOM 0 H LYS A 23 -12.221 -3.069 -4.678 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.758 -5.158 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.733 -3.489 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.980 -2.483 -7.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.640 -3.743 -8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.118 -4.505 -8.679 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -15.361 -6.402 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.646 -6.028 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -16.633 -4.938 -5.747 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.290 -4.775 -7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.367 -6.545 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -17.519 -7.178 -7.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.883 -7.335 -5.915 1.00 0.00 H new ATOM 385 N ALA A 24 -11.710 -3.389 -8.475 1.00 0.00 N ATOM 386 CA ALA A 24 -10.777 -2.626 -9.274 1.00 0.00 C ATOM 387 C ALA A 24 -10.884 -1.149 -8.929 1.00 0.00 C ATOM 388 O ALA A 24 -9.870 -0.463 -8.844 1.00 0.00 O ATOM 389 CB ALA A 24 -11.052 -2.777 -10.760 1.00 0.00 C ATOM 0 H ALA A 24 -12.449 -3.849 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.781 -3.009 -9.053 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.330 -2.188 -11.325 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.965 -3.826 -11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.059 -2.425 -10.981 1.00 0.00 H new ATOM 395 N GLU A 25 -12.105 -0.662 -8.680 1.00 0.00 N ATOM 396 CA GLU A 25 -12.322 0.669 -8.139 1.00 0.00 C ATOM 397 C GLU A 25 -12.109 0.616 -6.636 1.00 0.00 C ATOM 398 O GLU A 25 -12.996 0.910 -5.831 1.00 0.00 O ATOM 399 CB GLU A 25 -13.697 1.243 -8.513 1.00 0.00 C ATOM 400 CG GLU A 25 -13.644 1.886 -9.904 1.00 0.00 C ATOM 401 CD GLU A 25 -15.032 2.214 -10.450 1.00 0.00 C ATOM 402 OE1 GLU A 25 -15.727 1.262 -10.881 1.00 0.00 O ATOM 403 OE2 GLU A 25 -15.405 3.406 -10.536 1.00 0.00 O ATOM 0 H GLU A 25 -12.964 -1.185 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.602 1.356 -8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.445 0.451 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.003 1.983 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.051 2.799 -9.856 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.136 1.212 -10.593 1.00 0.00 H new ATOM 410 N ASP A 26 -10.901 0.246 -6.252 1.00 0.00 N ATOM 411 CA ASP A 26 -10.397 0.501 -4.926 1.00 0.00 C ATOM 412 C ASP A 26 -9.022 1.155 -5.034 1.00 0.00 C ATOM 413 O ASP A 26 -8.453 1.205 -6.132 1.00 0.00 O ATOM 414 CB ASP A 26 -10.417 -0.814 -4.153 1.00 0.00 C ATOM 415 CG ASP A 26 -10.667 -0.555 -2.674 1.00 0.00 C ATOM 416 OD1 ASP A 26 -9.794 0.043 -2.011 1.00 0.00 O ATOM 417 OD2 ASP A 26 -11.772 -0.878 -2.179 1.00 0.00 O ATOM 0 H ASP A 26 -10.243 -0.242 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.016 1.204 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.195 -1.466 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.468 -1.334 -4.283 1.00 0.00 H new ATOM 422 N LYS A 27 -8.487 1.708 -3.948 1.00 0.00 N ATOM 423 CA LYS A 27 -7.279 2.517 -3.969 1.00 0.00 C ATOM 424 C LYS A 27 -6.491 2.210 -2.701 1.00 0.00 C ATOM 425 O LYS A 27 -7.057 2.287 -1.608 1.00 0.00 O ATOM 426 CB LYS A 27 -7.653 4.004 -4.040 1.00 0.00 C ATOM 427 CG LYS A 27 -8.450 4.494 -5.270 1.00 0.00 C ATOM 428 CD LYS A 27 -9.904 4.861 -4.939 1.00 0.00 C ATOM 429 CE LYS A 27 -10.480 5.960 -5.847 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.228 5.447 -7.010 1.00 0.00 N ATOM 0 H LYS A 27 -8.889 1.603 -3.017 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.670 2.287 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.232 4.245 -3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.731 4.583 -3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.950 5.364 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.443 3.716 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.524 3.969 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.960 5.191 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.139 6.597 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.663 6.589 -6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.585 6.245 -7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.599 4.863 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.029 4.871 -6.681 1.00 0.00 H new ATOM 444 N ILE A 28 -5.232 1.776 -2.818 1.00 0.00 N ATOM 445 CA ILE A 28 -4.451 1.353 -1.664 1.00 0.00 C ATOM 446 C ILE A 28 -2.975 1.737 -1.807 1.00 0.00 C ATOM 447 O ILE A 28 -2.416 1.738 -2.905 1.00 0.00 O ATOM 448 CB ILE A 28 -4.585 -0.169 -1.476 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.936 -0.828 -1.877 1.00 0.00 C ATOM 450 CG2 ILE A 28 -4.307 -0.448 0.013 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.715 -2.313 -2.125 1.00 0.00 C ATOM 0 H ILE A 28 -4.735 1.710 -3.706 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.842 1.867 -0.786 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.876 -0.622 -2.169 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.673 -0.685 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.334 -0.353 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.389 -1.518 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.302 -0.110 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.033 0.087 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.659 -2.779 -2.406 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.992 -2.444 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.336 -2.781 -1.217 1.00 0.00 H new ATOM 463 N VAL A 29 -2.323 1.991 -0.678 1.00 0.00 N ATOM 464 CA VAL A 29 -0.913 2.374 -0.577 1.00 0.00 C ATOM 465 C VAL A 29 -0.311 1.701 0.652 1.00 0.00 C ATOM 466 O VAL A 29 -1.040 1.501 1.619 1.00 0.00 O ATOM 467 CB VAL A 29 -0.760 3.910 -0.516 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.701 4.363 -0.325 1.00 0.00 C ATOM 469 CG2 VAL A 29 -1.286 4.551 -1.805 1.00 0.00 C ATOM 0 H VAL A 29 -2.779 1.934 0.233 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.376 2.041 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.338 4.233 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.743 5.452 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.090 3.955 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.305 4.003 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.171 5.633 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.721 4.172 -2.657 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.340 4.304 -1.930 1.00 0.00 H new ATOM 479 N LEU A 30 0.994 1.395 0.616 1.00 0.00 N ATOM 480 CA LEU A 30 1.784 0.727 1.662 1.00 0.00 C ATOM 481 C LEU A 30 2.744 1.732 2.272 1.00 0.00 C ATOM 482 O LEU A 30 3.338 2.518 1.532 1.00 0.00 O ATOM 483 CB LEU A 30 2.658 -0.418 1.073 1.00 0.00 C ATOM 484 CG LEU A 30 2.185 -1.181 -0.173 1.00 0.00 C ATOM 485 CD1 LEU A 30 3.233 -2.222 -0.587 1.00 0.00 C ATOM 486 CD2 LEU A 30 0.893 -1.925 0.114 1.00 0.00 C ATOM 0 H LEU A 30 1.564 1.623 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 30 1.085 0.322 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.635 0.006 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.808 -1.152 1.865 1.00 0.00 H new ATOM 0 HG LEU A 30 2.033 -0.450 -0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.886 -2.756 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.174 -1.721 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.385 -2.930 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.574 -2.459 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.055 -2.637 0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.121 -1.214 0.406 1.00 0.00 H new ATOM 498 N ILE A 31 2.969 1.656 3.584 1.00 0.00 N ATOM 499 CA ILE A 31 3.923 2.495 4.291 1.00 0.00 C ATOM 500 C ILE A 31 4.823 1.604 5.149 1.00 0.00 C ATOM 501 O ILE A 31 4.700 0.383 5.101 1.00 0.00 O ATOM 502 CB ILE A 31 3.213 3.653 5.042 1.00 0.00 C ATOM 503 CG1 ILE A 31 2.808 3.303 6.489 1.00 0.00 C ATOM 504 CG2 ILE A 31 1.989 4.228 4.289 1.00 0.00 C ATOM 505 CD1 ILE A 31 2.603 4.542 7.364 1.00 0.00 C ATOM 0 H ILE A 31 2.482 0.997 4.191 1.00 0.00 H new ATOM 0 HA ILE A 31 4.580 3.012 3.592 1.00 0.00 H new ATOM 0 HB ILE A 31 3.980 4.427 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.888 2.719 6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.578 2.673 6.934 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.546 5.033 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.307 4.617 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.251 3.440 4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.320 4.234 8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.530 5.114 7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.814 5.161 6.938 1.00 0.00 H new ATOM 517 N GLN A 32 5.718 2.212 5.928 1.00 0.00 N ATOM 518 CA GLN A 32 6.655 1.629 6.881 1.00 0.00 C ATOM 519 C GLN A 32 7.071 0.202 6.488 1.00 0.00 C ATOM 520 O GLN A 32 7.794 0.009 5.517 1.00 0.00 O ATOM 521 CB GLN A 32 6.177 1.738 8.342 1.00 0.00 C ATOM 522 CG GLN A 32 5.803 3.155 8.788 1.00 0.00 C ATOM 523 CD GLN A 32 6.834 3.826 9.683 1.00 0.00 C ATOM 524 OE1 GLN A 32 6.972 3.453 10.848 1.00 0.00 O ATOM 525 NE2 GLN A 32 7.513 4.854 9.208 1.00 0.00 N ATOM 0 H GLN A 32 5.812 3.227 5.902 1.00 0.00 H new ATOM 0 HA GLN A 32 7.559 2.235 6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.312 1.089 8.476 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.963 1.361 8.996 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.651 3.773 7.903 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.851 3.117 9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.384 5.147 8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.167 5.355 9.810 1.00 0.00 H new ATOM 534 N ASN A 33 6.557 -0.806 7.206 1.00 0.00 N ATOM 535 CA ASN A 33 6.793 -2.235 6.955 1.00 0.00 C ATOM 536 C ASN A 33 5.726 -2.826 6.051 1.00 0.00 C ATOM 537 O ASN A 33 5.968 -3.868 5.459 1.00 0.00 O ATOM 538 CB ASN A 33 6.829 -3.063 8.254 1.00 0.00 C ATOM 539 CG ASN A 33 7.834 -2.495 9.245 1.00 0.00 C ATOM 540 OD1 ASN A 33 9.006 -2.861 9.220 1.00 0.00 O ATOM 541 ND2 ASN A 33 7.433 -1.540 10.070 1.00 0.00 N ATOM 0 H ASN A 33 5.944 -0.644 8.005 1.00 0.00 H new ATOM 0 HA ASN A 33 7.768 -2.288 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.837 -3.077 8.706 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.088 -4.096 8.022 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.102 -1.095 10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.455 -1.249 10.077 1.00 0.00 H new ATOM 548 N GLY A 34 4.560 -2.186 5.926 1.00 0.00 N ATOM 549 CA GLY A 34 3.530 -2.493 4.939 1.00 0.00 C ATOM 550 C GLY A 34 4.089 -2.690 3.542 1.00 0.00 C ATOM 551 O GLY A 34 3.543 -3.466 2.765 1.00 0.00 O ATOM 0 H GLY A 34 4.301 -1.410 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.000 -3.396 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.799 -1.685 4.921 1.00 0.00 H new ATOM 555 N VAL A 35 5.199 -2.029 3.219 1.00 0.00 N ATOM 556 CA VAL A 35 5.936 -2.222 1.980 1.00 0.00 C ATOM 557 C VAL A 35 6.235 -3.700 1.661 1.00 0.00 C ATOM 558 O VAL A 35 6.443 -4.023 0.494 1.00 0.00 O ATOM 559 CB VAL A 35 7.207 -1.365 2.014 1.00 0.00 C ATOM 560 CG1 VAL A 35 6.893 0.122 2.256 1.00 0.00 C ATOM 561 CG2 VAL A 35 8.208 -1.871 3.073 1.00 0.00 C ATOM 0 H VAL A 35 5.618 -1.328 3.830 1.00 0.00 H new ATOM 0 HA VAL A 35 5.300 -1.893 1.158 1.00 0.00 H new ATOM 0 HB VAL A 35 7.667 -1.460 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.822 0.692 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.253 0.494 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.381 0.235 3.212 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.095 -1.238 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.744 -1.835 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.493 -2.898 2.843 1.00 0.00 H new ATOM 571 N PHE A 36 6.204 -4.603 2.651 1.00 0.00 N ATOM 572 CA PHE A 36 6.304 -6.045 2.468 1.00 0.00 C ATOM 573 C PHE A 36 5.301 -6.575 1.431 1.00 0.00 C ATOM 574 O PHE A 36 5.624 -7.500 0.699 1.00 0.00 O ATOM 575 CB PHE A 36 6.072 -6.746 3.818 1.00 0.00 C ATOM 576 CG PHE A 36 7.147 -6.673 4.896 1.00 0.00 C ATOM 577 CD1 PHE A 36 8.321 -5.901 4.766 1.00 0.00 C ATOM 578 CD2 PHE A 36 6.968 -7.447 6.059 1.00 0.00 C ATOM 579 CE1 PHE A 36 9.312 -5.951 5.761 1.00 0.00 C ATOM 580 CE2 PHE A 36 7.948 -7.473 7.066 1.00 0.00 C ATOM 581 CZ PHE A 36 9.129 -6.730 6.915 1.00 0.00 C ATOM 0 H PHE A 36 6.105 -4.334 3.630 1.00 0.00 H new ATOM 0 HA PHE A 36 7.304 -6.262 2.092 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.155 -6.340 4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.888 -7.800 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.458 -5.270 3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.066 -8.028 6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.223 -5.385 5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.792 -8.065 7.956 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.891 -6.757 7.680 1.00 0.00 H new ATOM 591 N TRP A 37 4.114 -5.979 1.295 1.00 0.00 N ATOM 592 CA TRP A 37 3.133 -6.454 0.317 1.00 0.00 C ATOM 593 C TRP A 37 3.640 -6.294 -1.131 1.00 0.00 C ATOM 594 O TRP A 37 3.134 -6.958 -2.041 1.00 0.00 O ATOM 595 CB TRP A 37 1.787 -5.736 0.458 1.00 0.00 C ATOM 596 CG TRP A 37 0.997 -5.886 1.724 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.818 -4.917 2.647 1.00 0.00 C ATOM 598 CD2 TRP A 37 0.149 -6.995 2.154 1.00 0.00 C ATOM 599 NE1 TRP A 37 -0.080 -5.346 3.597 1.00 0.00 N ATOM 600 CE2 TRP A 37 -0.620 -6.573 3.273 1.00 0.00 C ATOM 601 CE3 TRP A 37 -0.073 -8.312 1.708 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -1.637 -7.369 3.824 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -1.106 -9.112 2.240 1.00 0.00 C ATOM 604 CH2 TRP A 37 -1.938 -8.619 3.261 1.00 0.00 C ATOM 0 H TRP A 37 3.811 -5.174 1.844 1.00 0.00 H new ATOM 0 HA TRP A 37 2.991 -7.514 0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.968 -4.671 0.311 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.152 -6.068 -0.364 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.305 -3.953 2.641 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.317 -4.821 4.438 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.565 -8.721 0.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.189 -7.018 4.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.259 -10.111 1.860 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.789 -9.189 3.604 1.00 0.00 H new ATOM 615 N ALA A 38 4.635 -5.434 -1.377 1.00 0.00 N ATOM 616 CA ALA A 38 5.259 -5.233 -2.679 1.00 0.00 C ATOM 617 C ALA A 38 6.338 -6.272 -2.934 1.00 0.00 C ATOM 618 O ALA A 38 7.354 -5.918 -3.533 1.00 0.00 O ATOM 619 CB ALA A 38 5.795 -3.796 -2.770 1.00 0.00 C ATOM 0 H ALA A 38 5.037 -4.843 -0.649 1.00 0.00 H new ATOM 0 HA ALA A 38 4.515 -5.367 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.262 -3.643 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.972 -3.092 -2.648 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.532 -3.632 -1.984 1.00 0.00 H new ATOM 625 N LEU A 39 6.084 -7.528 -2.534 1.00 0.00 N ATOM 626 CA LEU A 39 6.973 -8.679 -2.666 1.00 0.00 C ATOM 627 C LEU A 39 6.296 -9.953 -2.135 1.00 0.00 C ATOM 628 O LEU A 39 6.858 -10.713 -1.349 1.00 0.00 O ATOM 629 CB LEU A 39 8.361 -8.358 -2.085 1.00 0.00 C ATOM 630 CG LEU A 39 8.466 -7.599 -0.746 1.00 0.00 C ATOM 631 CD1 LEU A 39 8.481 -8.510 0.486 1.00 0.00 C ATOM 632 CD2 LEU A 39 9.730 -6.742 -0.773 1.00 0.00 C ATOM 0 H LEU A 39 5.202 -7.775 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 39 7.163 -8.896 -3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.893 -9.302 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.902 -7.778 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 39 7.569 -6.987 -0.651 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.557 -7.902 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.561 -9.094 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.336 -9.184 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.821 -6.198 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.601 -7.383 -0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.671 -6.033 -1.599 1.00 0.00 H new ATOM 644 N GLU A 40 5.064 -10.188 -2.594 1.00 0.00 N ATOM 645 CA GLU A 40 4.161 -11.275 -2.210 1.00 0.00 C ATOM 646 C GLU A 40 3.584 -11.951 -3.466 1.00 0.00 C ATOM 647 O GLU A 40 4.072 -11.722 -4.577 1.00 0.00 O ATOM 648 CB GLU A 40 3.066 -10.725 -1.289 1.00 0.00 C ATOM 649 CG GLU A 40 3.603 -10.239 0.058 1.00 0.00 C ATOM 650 CD GLU A 40 3.950 -11.390 1.020 1.00 0.00 C ATOM 651 OE1 GLU A 40 3.734 -12.577 0.688 1.00 0.00 O ATOM 652 OE2 GLU A 40 4.311 -11.101 2.194 1.00 0.00 O ATOM 0 H GLU A 40 4.641 -9.579 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 40 4.707 -12.040 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.559 -9.901 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.320 -11.501 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 40 4.493 -9.633 -0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.861 -9.593 0.527 1.00 0.00 H new ATOM 659 N GLU A 41 2.575 -12.812 -3.317 1.00 0.00 N ATOM 660 CA GLU A 41 2.204 -13.824 -4.305 1.00 0.00 C ATOM 661 C GLU A 41 0.822 -13.653 -4.899 1.00 0.00 C ATOM 662 O GLU A 41 0.139 -14.625 -5.232 1.00 0.00 O ATOM 663 CB GLU A 41 2.482 -15.244 -3.788 1.00 0.00 C ATOM 664 CG GLU A 41 3.964 -15.442 -3.449 1.00 0.00 C ATOM 665 CD GLU A 41 4.392 -16.896 -3.627 1.00 0.00 C ATOM 666 OE1 GLU A 41 4.484 -17.325 -4.799 1.00 0.00 O ATOM 667 OE2 GLU A 41 4.641 -17.620 -2.630 1.00 0.00 O ATOM 0 H GLU A 41 1.981 -12.824 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 41 2.862 -13.660 -5.158 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.877 -15.434 -2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.180 -15.972 -4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.573 -14.802 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.147 -15.132 -2.420 1.00 0.00 H new ATOM 674 N LEU A 42 0.470 -12.402 -5.154 1.00 0.00 N ATOM 675 CA LEU A 42 -0.832 -11.973 -5.634 1.00 0.00 C ATOM 676 C LEU A 42 -0.716 -10.498 -6.009 1.00 0.00 C ATOM 677 O LEU A 42 0.368 -9.907 -6.003 1.00 0.00 O ATOM 678 CB LEU A 42 -1.846 -12.187 -4.499 1.00 0.00 C ATOM 679 CG LEU A 42 -2.744 -13.436 -4.635 1.00 0.00 C ATOM 680 CD1 LEU A 42 -2.594 -14.335 -3.399 1.00 0.00 C ATOM 681 CD2 LEU A 42 -4.230 -13.096 -4.825 1.00 0.00 C ATOM 0 H LEU A 42 1.116 -11.623 -5.025 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.163 -12.536 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.302 -12.253 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.486 -11.307 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.408 -13.955 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.232 -15.212 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.555 -14.652 -3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.888 -13.780 -2.508 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.806 -14.017 -4.914 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.586 -12.527 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.354 -12.502 -5.730 1.00 0.00 H new ATOM 693 N GLU A 43 -1.851 -9.895 -6.326 1.00 0.00 N ATOM 694 CA GLU A 43 -2.034 -8.492 -6.622 1.00 0.00 C ATOM 695 C GLU A 43 -3.470 -8.150 -6.227 1.00 0.00 C ATOM 696 O GLU A 43 -4.195 -8.974 -5.680 1.00 0.00 O ATOM 697 CB GLU A 43 -1.779 -8.223 -8.114 1.00 0.00 C ATOM 698 CG GLU A 43 -2.729 -9.002 -9.035 1.00 0.00 C ATOM 699 CD GLU A 43 -2.658 -8.540 -10.486 1.00 0.00 C ATOM 700 OE1 GLU A 43 -1.570 -8.153 -10.961 1.00 0.00 O ATOM 701 OE2 GLU A 43 -3.714 -8.542 -11.162 1.00 0.00 O ATOM 0 H GLU A 43 -2.727 -10.414 -6.386 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.330 -7.870 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.887 -7.156 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.750 -8.489 -8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.487 -10.064 -8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.751 -8.891 -8.673 1.00 0.00 H new ATOM 708 N THR A 44 -3.900 -6.948 -6.547 1.00 0.00 N ATOM 709 CA THR A 44 -5.249 -6.392 -6.485 1.00 0.00 C ATOM 710 C THR A 44 -5.564 -5.856 -7.878 1.00 0.00 C ATOM 711 O THR A 44 -4.654 -5.439 -8.598 1.00 0.00 O ATOM 712 CB THR A 44 -5.338 -5.317 -5.383 1.00 0.00 C ATOM 713 OG1 THR A 44 -6.638 -4.819 -5.154 1.00 0.00 O ATOM 714 CG2 THR A 44 -4.439 -4.163 -5.664 1.00 0.00 C ATOM 0 H THR A 44 -3.242 -6.252 -6.898 1.00 0.00 H new ATOM 0 HA THR A 44 -5.991 -7.143 -6.214 1.00 0.00 H new ATOM 0 HB THR A 44 -5.021 -5.841 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.610 -4.146 -4.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.531 -3.427 -4.865 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.408 -4.511 -5.721 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.720 -3.705 -6.612 1.00 0.00 H new ATOM 722 N PRO A 45 -6.847 -5.805 -8.256 1.00 0.00 N ATOM 723 CA PRO A 45 -7.268 -5.013 -9.386 1.00 0.00 C ATOM 724 C PRO A 45 -7.307 -3.503 -9.064 1.00 0.00 C ATOM 725 O PRO A 45 -7.568 -2.709 -9.966 1.00 0.00 O ATOM 726 CB PRO A 45 -8.626 -5.589 -9.760 1.00 0.00 C ATOM 727 CG PRO A 45 -9.183 -6.255 -8.510 1.00 0.00 C ATOM 728 CD PRO A 45 -8.001 -6.357 -7.566 1.00 0.00 C ATOM 0 HA PRO A 45 -6.568 -5.069 -10.220 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -9.296 -4.803 -10.110 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.529 -6.310 -10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.989 -5.665 -8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.595 -7.239 -8.736 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.197 -5.808 -6.645 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.821 -7.395 -7.286 1.00 0.00 H new ATOM 736 N ALA A 46 -7.020 -3.099 -7.820 1.00 0.00 N ATOM 737 CA ALA A 46 -6.963 -1.711 -7.366 1.00 0.00 C ATOM 738 C ALA A 46 -5.649 -1.062 -7.822 1.00 0.00 C ATOM 739 O ALA A 46 -4.783 -1.751 -8.364 1.00 0.00 O ATOM 740 CB ALA A 46 -7.026 -1.706 -5.833 1.00 0.00 C ATOM 0 H ALA A 46 -6.813 -3.762 -7.073 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.797 -1.149 -7.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.985 -0.679 -5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.957 -2.169 -5.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.181 -2.266 -5.432 1.00 0.00 H new ATOM 746 N LYS A 47 -5.456 0.238 -7.553 1.00 0.00 N ATOM 747 CA LYS A 47 -4.107 0.802 -7.642 1.00 0.00 C ATOM 748 C LYS A 47 -3.393 0.398 -6.367 1.00 0.00 C ATOM 749 O LYS A 47 -4.021 0.096 -5.343 1.00 0.00 O ATOM 750 CB LYS A 47 -4.020 2.333 -7.850 1.00 0.00 C ATOM 751 CG LYS A 47 -5.274 3.126 -7.496 1.00 0.00 C ATOM 752 CD LYS A 47 -5.152 4.616 -7.160 1.00 0.00 C ATOM 753 CE LYS A 47 -4.720 5.575 -8.282 1.00 0.00 C ATOM 754 NZ LYS A 47 -5.673 6.677 -8.494 1.00 0.00 N ATOM 0 H LYS A 47 -6.188 0.895 -7.282 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.644 0.404 -8.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.192 2.715 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.775 2.525 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.966 3.035 -8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.741 2.635 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.118 4.954 -6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.439 4.717 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.741 5.990 -8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.609 5.014 -9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.330 7.290 -9.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.602 6.288 -8.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.761 7.233 -7.620 1.00 0.00 H new ATOM 768 N VAL A 48 -2.070 0.366 -6.452 1.00 0.00 N ATOM 769 CA VAL A 48 -1.185 -0.113 -5.425 1.00 0.00 C ATOM 770 C VAL A 48 0.026 0.771 -5.564 1.00 0.00 C ATOM 771 O VAL A 48 0.626 0.817 -6.638 1.00 0.00 O ATOM 772 CB VAL A 48 -0.825 -1.582 -5.683 1.00 0.00 C ATOM 773 CG1 VAL A 48 0.056 -2.119 -4.551 1.00 0.00 C ATOM 774 CG2 VAL A 48 -2.083 -2.436 -5.766 1.00 0.00 C ATOM 0 H VAL A 48 -1.572 0.690 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.619 -0.075 -4.426 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.286 -1.633 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.304 -3.162 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.973 -1.532 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.481 -2.045 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.806 -3.474 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.632 -2.367 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.712 -2.079 -6.581 1.00 0.00 H new ATOM 784 N TYR A 49 0.373 1.476 -4.505 1.00 0.00 N ATOM 785 CA TYR A 49 1.595 2.254 -4.486 1.00 0.00 C ATOM 786 C TYR A 49 2.284 2.008 -3.152 1.00 0.00 C ATOM 787 O TYR A 49 1.654 1.527 -2.215 1.00 0.00 O ATOM 788 CB TYR A 49 1.253 3.725 -4.709 1.00 0.00 C ATOM 789 CG TYR A 49 0.598 4.078 -6.047 1.00 0.00 C ATOM 790 CD1 TYR A 49 1.433 4.365 -7.139 1.00 0.00 C ATOM 791 CD2 TYR A 49 -0.800 4.198 -6.230 1.00 0.00 C ATOM 792 CE1 TYR A 49 0.916 4.780 -8.375 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.319 4.669 -7.440 1.00 0.00 C ATOM 794 CZ TYR A 49 -0.471 4.949 -8.528 1.00 0.00 C ATOM 795 OH TYR A 49 -0.980 5.409 -9.700 1.00 0.00 O ATOM 0 H TYR A 49 -0.175 1.526 -3.646 1.00 0.00 H new ATOM 0 HA TYR A 49 2.278 1.960 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.587 4.046 -3.908 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.170 4.307 -4.614 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.502 4.263 -7.024 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.471 3.924 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.580 4.969 -9.205 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.384 4.820 -7.541 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.956 5.465 -9.633 1.00 0.00 H new ATOM 805 N ALA A 50 3.564 2.332 -3.028 1.00 0.00 N ATOM 806 CA ALA A 50 4.295 2.190 -1.777 1.00 0.00 C ATOM 807 C ALA A 50 5.082 3.467 -1.527 1.00 0.00 C ATOM 808 O ALA A 50 5.514 4.125 -2.473 1.00 0.00 O ATOM 809 CB ALA A 50 5.200 0.960 -1.861 1.00 0.00 C ATOM 0 H ALA A 50 4.126 2.702 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 50 3.615 2.041 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.750 0.849 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.592 0.072 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.904 1.082 -2.684 1.00 0.00 H new ATOM 815 N ILE A 51 5.292 3.797 -0.256 1.00 0.00 N ATOM 816 CA ILE A 51 6.029 4.981 0.144 1.00 0.00 C ATOM 817 C ILE A 51 7.503 4.667 0.001 1.00 0.00 C ATOM 818 O ILE A 51 8.051 3.847 0.737 1.00 0.00 O ATOM 819 CB ILE A 51 5.641 5.378 1.580 1.00 0.00 C ATOM 820 CG1 ILE A 51 4.189 5.862 1.705 1.00 0.00 C ATOM 821 CG2 ILE A 51 6.576 6.455 2.155 1.00 0.00 C ATOM 822 CD1 ILE A 51 3.759 6.931 0.701 1.00 0.00 C ATOM 0 H ILE A 51 4.950 3.242 0.529 1.00 0.00 H new ATOM 0 HA ILE A 51 5.790 5.838 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 51 5.745 4.460 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.528 5.002 1.598 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.041 6.254 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.264 6.704 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.599 6.078 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.529 7.348 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.718 7.199 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.387 7.814 0.819 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.865 6.543 -0.312 1.00 0.00 H new ATOM 834 N LYS A 52 8.136 5.376 -0.932 1.00 0.00 N ATOM 835 CA LYS A 52 9.543 5.248 -1.230 1.00 0.00 C ATOM 836 C LYS A 52 10.389 5.488 0.010 1.00 0.00 C ATOM 837 O LYS A 52 11.154 4.615 0.386 1.00 0.00 O ATOM 838 CB LYS A 52 9.895 6.131 -2.441 1.00 0.00 C ATOM 839 CG LYS A 52 11.230 5.712 -3.070 1.00 0.00 C ATOM 840 CD LYS A 52 11.271 5.846 -4.599 1.00 0.00 C ATOM 841 CE LYS A 52 11.679 7.229 -5.104 1.00 0.00 C ATOM 842 NZ LYS A 52 12.078 7.171 -6.532 1.00 0.00 N ATOM 0 H LYS A 52 7.664 6.070 -1.511 1.00 0.00 H new ATOM 0 HA LYS A 52 9.779 4.225 -1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.102 6.062 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.949 7.174 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.028 6.318 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.437 4.676 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.967 5.108 -4.997 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.286 5.603 -4.999 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.849 7.925 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.506 7.610 -4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.629 8.019 -6.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 12.658 6.323 -6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.227 7.130 -7.129 1.00 0.00 H new ATOM 856 N ASP A 53 10.238 6.623 0.683 1.00 0.00 N ATOM 857 CA ASP A 53 11.081 6.983 1.826 1.00 0.00 C ATOM 858 C ASP A 53 10.998 5.925 2.920 1.00 0.00 C ATOM 859 O ASP A 53 12.032 5.502 3.428 1.00 0.00 O ATOM 860 CB ASP A 53 10.689 8.346 2.411 1.00 0.00 C ATOM 861 CG ASP A 53 10.935 9.504 1.452 1.00 0.00 C ATOM 862 OD1 ASP A 53 10.600 9.390 0.254 1.00 0.00 O ATOM 863 OD2 ASP A 53 11.338 10.600 1.894 1.00 0.00 O ATOM 0 H ASP A 53 9.530 7.321 0.455 1.00 0.00 H new ATOM 0 HA ASP A 53 12.105 7.042 1.457 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.634 8.327 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.253 8.516 3.328 1.00 0.00 H new ATOM 868 N ASP A 54 9.793 5.453 3.258 1.00 0.00 N ATOM 869 CA ASP A 54 9.607 4.396 4.243 1.00 0.00 C ATOM 870 C ASP A 54 10.218 3.078 3.770 1.00 0.00 C ATOM 871 O ASP A 54 10.827 2.390 4.585 1.00 0.00 O ATOM 872 CB ASP A 54 8.117 4.182 4.564 1.00 0.00 C ATOM 873 CG ASP A 54 7.633 4.923 5.809 1.00 0.00 C ATOM 874 OD1 ASP A 54 8.469 5.277 6.673 1.00 0.00 O ATOM 875 OD2 ASP A 54 6.400 5.051 5.980 1.00 0.00 O ATOM 0 H ASP A 54 8.922 5.797 2.853 1.00 0.00 H new ATOM 0 HA ASP A 54 10.120 4.718 5.149 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.523 4.504 3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.935 3.115 4.696 1.00 0.00 H new ATOM 880 N PHE A 55 10.071 2.719 2.488 1.00 0.00 N ATOM 881 CA PHE A 55 10.668 1.519 1.889 1.00 0.00 C ATOM 882 C PHE A 55 12.190 1.546 2.008 1.00 0.00 C ATOM 883 O PHE A 55 12.819 0.591 2.457 1.00 0.00 O ATOM 884 CB PHE A 55 10.260 1.442 0.410 1.00 0.00 C ATOM 885 CG PHE A 55 10.632 0.170 -0.328 1.00 0.00 C ATOM 886 CD1 PHE A 55 10.200 -1.074 0.156 1.00 0.00 C ATOM 887 CD2 PHE A 55 11.335 0.229 -1.544 1.00 0.00 C ATOM 888 CE1 PHE A 55 10.399 -2.248 -0.582 1.00 0.00 C ATOM 889 CE2 PHE A 55 11.579 -0.952 -2.257 1.00 0.00 C ATOM 890 CZ PHE A 55 11.111 -2.189 -1.784 1.00 0.00 C ATOM 0 H PHE A 55 9.522 3.266 1.825 1.00 0.00 H new ATOM 0 HA PHE A 55 10.305 0.641 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.179 1.570 0.347 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.712 2.285 -0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.705 -1.127 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.684 1.177 -1.925 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.006 -3.189 -0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.134 -0.911 -3.182 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.300 -3.091 -2.347 1.00 0.00 H new ATOM 900 N LEU A 56 12.787 2.679 1.656 1.00 0.00 N ATOM 901 CA LEU A 56 14.210 2.933 1.769 1.00 0.00 C ATOM 902 C LEU A 56 14.592 2.838 3.239 1.00 0.00 C ATOM 903 O LEU A 56 15.583 2.187 3.574 1.00 0.00 O ATOM 904 CB LEU A 56 14.517 4.314 1.168 1.00 0.00 C ATOM 905 CG LEU A 56 14.232 4.397 -0.348 1.00 0.00 C ATOM 906 CD1 LEU A 56 14.314 5.862 -0.795 1.00 0.00 C ATOM 907 CD2 LEU A 56 15.225 3.581 -1.182 1.00 0.00 C ATOM 0 H LEU A 56 12.272 3.471 1.271 1.00 0.00 H new ATOM 0 HA LEU A 56 14.799 2.200 1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.922 5.068 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.564 4.556 1.348 1.00 0.00 H new ATOM 0 HG LEU A 56 13.237 3.983 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.114 5.928 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.575 6.450 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.311 6.250 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.977 3.676 -2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.235 3.953 -1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.171 2.532 -0.889 1.00 0.00 H new ATOM 919 N ALA A 57 13.764 3.390 4.130 1.00 0.00 N ATOM 920 CA ALA A 57 13.939 3.273 5.571 1.00 0.00 C ATOM 921 C ALA A 57 13.695 1.849 6.089 1.00 0.00 C ATOM 922 O ALA A 57 13.831 1.610 7.292 1.00 0.00 O ATOM 923 CB ALA A 57 13.036 4.272 6.309 1.00 0.00 C ATOM 0 H ALA A 57 12.945 3.936 3.863 1.00 0.00 H new ATOM 0 HA ALA A 57 14.983 3.510 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.182 4.169 7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.291 5.287 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.993 4.071 6.063 1.00 0.00 H new ATOM 929 N ARG A 58 13.347 0.895 5.219 1.00 0.00 N ATOM 930 CA ARG A 58 13.129 -0.498 5.595 1.00 0.00 C ATOM 931 C ARG A 58 14.068 -1.407 4.806 1.00 0.00 C ATOM 932 O ARG A 58 13.778 -2.589 4.635 1.00 0.00 O ATOM 933 CB ARG A 58 11.628 -0.798 5.350 1.00 0.00 C ATOM 934 CG ARG A 58 10.851 -1.409 6.524 1.00 0.00 C ATOM 935 CD ARG A 58 10.751 -2.924 6.402 1.00 0.00 C ATOM 936 NE ARG A 58 12.020 -3.586 6.722 1.00 0.00 N ATOM 937 CZ ARG A 58 12.369 -4.113 7.898 1.00 0.00 C ATOM 938 NH1 ARG A 58 11.558 -4.043 8.950 1.00 0.00 N ATOM 939 NH2 ARG A 58 13.543 -4.717 8.024 1.00 0.00 N ATOM 0 H ARG A 58 13.208 1.074 4.225 1.00 0.00 H new ATOM 0 HA ARG A 58 13.358 -0.684 6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.137 0.132 5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.550 -1.476 4.500 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.344 -1.151 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.850 -0.979 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.972 -3.291 7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.451 -3.187 5.388 1.00 0.00 H new ATOM 0 HE ARG A 58 12.706 -3.650 5.970 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.653 -3.581 8.866 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.842 -4.451 9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.174 -4.777 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.815 -5.121 8.920 1.00 0.00 H new ATOM 953 N GLY A 59 15.291 -0.935 4.559 1.00 0.00 N ATOM 954 CA GLY A 59 16.363 -1.692 3.934 1.00 0.00 C ATOM 955 C GLY A 59 15.962 -2.316 2.604 1.00 0.00 C ATOM 956 O GLY A 59 15.997 -3.545 2.481 1.00 0.00 O ATOM 0 H GLY A 59 15.566 0.018 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.218 -1.035 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.687 -2.480 4.614 1.00 0.00 H new ATOM 960 N TYR A 60 15.656 -1.494 1.602 1.00 0.00 N ATOM 961 CA TYR A 60 15.407 -1.884 0.247 1.00 0.00 C ATOM 962 C TYR A 60 16.032 -0.838 -0.664 1.00 0.00 C ATOM 963 O TYR A 60 16.186 0.328 -0.285 1.00 0.00 O ATOM 964 CB TYR A 60 13.907 -1.899 0.013 1.00 0.00 C ATOM 965 CG TYR A 60 13.133 -3.003 0.705 1.00 0.00 C ATOM 966 CD1 TYR A 60 13.053 -4.276 0.120 1.00 0.00 C ATOM 967 CD2 TYR A 60 12.421 -2.743 1.887 1.00 0.00 C ATOM 968 CE1 TYR A 60 12.308 -5.295 0.729 1.00 0.00 C ATOM 969 CE2 TYR A 60 11.636 -3.741 2.482 1.00 0.00 C ATOM 970 CZ TYR A 60 11.586 -5.026 1.913 1.00 0.00 C ATOM 971 OH TYR A 60 10.847 -6.001 2.504 1.00 0.00 O ATOM 0 H TYR A 60 15.575 -0.486 1.739 1.00 0.00 H new ATOM 0 HA TYR A 60 15.826 -2.870 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.500 -0.941 0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.728 -1.976 -1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.570 -4.472 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.479 -1.765 2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.286 -6.283 0.294 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.071 -3.523 3.376 1.00 0.00 H new ATOM 0 HH TYR A 60 10.219 -5.596 3.138 1.00 0.00 H new ATOM 981 N SER A 61 16.330 -1.257 -1.880 1.00 0.00 N ATOM 982 CA SER A 61 16.540 -0.429 -3.051 1.00 0.00 C ATOM 983 C SER A 61 15.262 -0.428 -3.876 1.00 0.00 C ATOM 984 O SER A 61 14.386 -1.256 -3.665 1.00 0.00 O ATOM 985 CB SER A 61 17.644 -1.081 -3.862 1.00 0.00 C ATOM 986 OG SER A 61 18.902 -0.695 -3.361 1.00 0.00 O ATOM 0 H SER A 61 16.439 -2.250 -2.088 1.00 0.00 H new ATOM 0 HA SER A 61 16.803 0.593 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.544 -2.166 -3.821 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.556 -0.792 -4.909 1.00 0.00 H new ATOM 0 HG SER A 61 19.609 -1.121 -3.889 1.00 0.00 H new ATOM 992 N GLU A 62 15.158 0.467 -4.856 1.00 0.00 N ATOM 993 CA GLU A 62 13.917 0.703 -5.563 1.00 0.00 C ATOM 994 C GLU A 62 13.459 -0.558 -6.275 1.00 0.00 C ATOM 995 O GLU A 62 12.301 -0.952 -6.164 1.00 0.00 O ATOM 996 CB GLU A 62 14.101 1.805 -6.604 1.00 0.00 C ATOM 997 CG GLU A 62 14.521 3.147 -6.005 1.00 0.00 C ATOM 998 CD GLU A 62 14.287 4.204 -7.071 1.00 0.00 C ATOM 999 OE1 GLU A 62 15.145 4.390 -7.962 1.00 0.00 O ATOM 1000 OE2 GLU A 62 13.150 4.712 -7.174 1.00 0.00 O ATOM 0 H GLU A 62 15.935 1.045 -5.177 1.00 0.00 H new ATOM 0 HA GLU A 62 13.168 1.004 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.852 1.488 -7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 62 13.167 1.937 -7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.940 3.368 -5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 62 15.569 3.125 -5.708 1.00 0.00 H new ATOM 1007 N GLU A 63 14.369 -1.193 -7.012 1.00 0.00 N ATOM 1008 CA GLU A 63 14.013 -2.314 -7.851 1.00 0.00 C ATOM 1009 C GLU A 63 13.730 -3.583 -7.038 1.00 0.00 C ATOM 1010 O GLU A 63 13.317 -4.599 -7.602 1.00 0.00 O ATOM 1011 CB GLU A 63 15.051 -2.482 -8.966 1.00 0.00 C ATOM 1012 CG GLU A 63 16.335 -3.256 -8.630 1.00 0.00 C ATOM 1013 CD GLU A 63 16.967 -3.783 -9.922 1.00 0.00 C ATOM 1014 OE1 GLU A 63 16.413 -4.747 -10.501 1.00 0.00 O ATOM 1015 OE2 GLU A 63 17.989 -3.244 -10.402 1.00 0.00 O ATOM 0 H GLU A 63 15.357 -0.943 -7.039 1.00 0.00 H new ATOM 0 HA GLU A 63 13.063 -2.107 -8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 63 14.566 -2.983 -9.804 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.338 -1.489 -9.311 1.00 0.00 H new ATOM 0 HG2 GLU A 63 17.037 -2.607 -8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.108 -4.085 -7.959 1.00 0.00 H new ATOM 1022 N ASP A 64 13.901 -3.521 -5.712 1.00 0.00 N ATOM 1023 CA ASP A 64 13.503 -4.597 -4.825 1.00 0.00 C ATOM 1024 C ASP A 64 11.974 -4.661 -4.718 1.00 0.00 C ATOM 1025 O ASP A 64 11.460 -5.687 -4.272 1.00 0.00 O ATOM 1026 CB ASP A 64 14.071 -4.427 -3.406 1.00 0.00 C ATOM 1027 CG ASP A 64 15.593 -4.448 -3.253 1.00 0.00 C ATOM 1028 OD1 ASP A 64 16.320 -4.979 -4.114 1.00 0.00 O ATOM 1029 OD2 ASP A 64 16.057 -4.016 -2.171 1.00 0.00 O ATOM 0 H ASP A 64 14.319 -2.722 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 64 13.903 -5.515 -5.256 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.705 -3.481 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.658 -5.218 -2.780 1.00 0.00 H new ATOM 1034 N SER A 65 11.254 -3.567 -5.016 1.00 0.00 N ATOM 1035 CA SER A 65 9.802 -3.488 -4.868 1.00 0.00 C ATOM 1036 C SER A 65 9.129 -3.982 -6.149 1.00 0.00 C ATOM 1037 O SER A 65 9.669 -3.794 -7.242 1.00 0.00 O ATOM 1038 CB SER A 65 9.383 -2.036 -4.539 1.00 0.00 C ATOM 1039 OG SER A 65 8.429 -2.035 -3.496 1.00 0.00 O ATOM 0 H SER A 65 11.673 -2.707 -5.370 1.00 0.00 H new ATOM 0 HA SER A 65 9.482 -4.125 -4.044 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.256 -1.454 -4.245 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.966 -1.559 -5.426 1.00 0.00 H new ATOM 0 HG SER A 65 8.889 -2.082 -2.632 1.00 0.00 H new ATOM 1045 N LYS A 66 7.917 -4.545 -6.049 1.00 0.00 N ATOM 1046 CA LYS A 66 7.094 -4.834 -7.231 1.00 0.00 C ATOM 1047 C LYS A 66 5.837 -3.974 -7.268 1.00 0.00 C ATOM 1048 O LYS A 66 4.792 -4.422 -7.745 1.00 0.00 O ATOM 1049 CB LYS A 66 6.799 -6.345 -7.305 1.00 0.00 C ATOM 1050 CG LYS A 66 5.965 -6.906 -6.141 1.00 0.00 C ATOM 1051 CD LYS A 66 5.082 -8.081 -6.556 1.00 0.00 C ATOM 1052 CE LYS A 66 4.265 -8.577 -5.350 1.00 0.00 C ATOM 1053 NZ LYS A 66 2.823 -8.362 -5.563 1.00 0.00 N ATOM 0 H LYS A 66 7.486 -4.809 -5.163 1.00 0.00 H new ATOM 0 HA LYS A 66 7.653 -4.566 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.276 -6.552 -8.239 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.746 -6.883 -7.345 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.634 -7.225 -5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.338 -6.113 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.411 -7.777 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.699 -8.891 -6.945 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.458 -9.637 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.585 -8.053 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.385 -8.043 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.685 -7.638 -6.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.380 -9.253 -5.867 1.00 0.00 H new ATOM 1067 N VAL A 67 5.930 -2.708 -6.844 1.00 0.00 N ATOM 1068 CA VAL A 67 4.858 -1.730 -6.991 1.00 0.00 C ATOM 1069 C VAL A 67 5.494 -0.346 -7.136 1.00 0.00 C ATOM 1070 O VAL A 67 6.616 -0.139 -6.668 1.00 0.00 O ATOM 1071 CB VAL A 67 3.829 -1.792 -5.823 1.00 0.00 C ATOM 1072 CG1 VAL A 67 3.376 -3.214 -5.471 1.00 0.00 C ATOM 1073 CG2 VAL A 67 4.265 -1.036 -4.562 1.00 0.00 C ATOM 0 H VAL A 67 6.761 -2.335 -6.386 1.00 0.00 H new ATOM 0 HA VAL A 67 4.278 -1.960 -7.885 1.00 0.00 H new ATOM 0 HB VAL A 67 2.963 -1.266 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.661 -3.175 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.905 -3.672 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.240 -3.808 -5.172 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.494 -1.129 -3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.198 -1.458 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.413 0.017 -4.802 1.00 0.00 H new ATOM 1083 N PRO A 68 4.780 0.623 -7.730 1.00 0.00 N ATOM 1084 CA PRO A 68 5.296 1.953 -7.962 1.00 0.00 C ATOM 1085 C PRO A 68 5.558 2.637 -6.630 1.00 0.00 C ATOM 1086 O PRO A 68 4.672 2.779 -5.776 1.00 0.00 O ATOM 1087 CB PRO A 68 4.287 2.652 -8.871 1.00 0.00 C ATOM 1088 CG PRO A 68 3.004 1.847 -8.740 1.00 0.00 C ATOM 1089 CD PRO A 68 3.479 0.465 -8.342 1.00 0.00 C ATOM 0 HA PRO A 68 6.262 1.967 -8.467 1.00 0.00 H new ATOM 0 HB2 PRO A 68 4.135 3.687 -8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.635 2.672 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.340 2.273 -7.988 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.449 1.824 -9.678 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.779 0.003 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.540 -0.187 -9.213 1.00 0.00 H new ATOM 1097 N LEU A 69 6.822 3.007 -6.463 1.00 0.00 N ATOM 1098 CA LEU A 69 7.369 3.647 -5.292 1.00 0.00 C ATOM 1099 C LEU A 69 7.212 5.149 -5.482 1.00 0.00 C ATOM 1100 O LEU A 69 7.870 5.768 -6.324 1.00 0.00 O ATOM 1101 CB LEU A 69 8.836 3.219 -5.130 1.00 0.00 C ATOM 1102 CG LEU A 69 9.113 1.755 -4.794 1.00 0.00 C ATOM 1103 CD1 LEU A 69 10.613 1.519 -4.979 1.00 0.00 C ATOM 1104 CD2 LEU A 69 8.746 1.477 -3.334 1.00 0.00 C ATOM 0 H LEU A 69 7.525 2.856 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 69 6.850 3.356 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.359 3.456 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.281 3.833 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 69 8.525 1.101 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.849 0.480 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.890 1.732 -6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.170 2.176 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.946 0.431 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.342 2.114 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.688 1.687 -3.178 1.00 0.00 H new ATOM 1116 N ILE A 70 6.299 5.720 -4.707 1.00 0.00 N ATOM 1117 CA ILE A 70 5.862 7.106 -4.791 1.00 0.00 C ATOM 1118 C ILE A 70 6.287 7.843 -3.519 1.00 0.00 C ATOM 1119 O ILE A 70 6.678 7.208 -2.536 1.00 0.00 O ATOM 1120 CB ILE A 70 4.342 7.156 -5.071 1.00 0.00 C ATOM 1121 CG1 ILE A 70 3.472 6.839 -3.834 1.00 0.00 C ATOM 1122 CG2 ILE A 70 4.009 6.253 -6.273 1.00 0.00 C ATOM 1123 CD1 ILE A 70 1.969 7.045 -4.061 1.00 0.00 C ATOM 0 H ILE A 70 5.821 5.204 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 70 6.339 7.622 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 70 4.088 8.186 -5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.646 5.805 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.794 7.469 -3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.937 6.289 -6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.551 6.603 -7.152 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.303 5.227 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.426 6.802 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.781 8.085 -4.329 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.630 6.395 -4.868 1.00 0.00 H new ATOM 1135 N THR A 71 6.232 9.172 -3.508 1.00 0.00 N ATOM 1136 CA THR A 71 6.498 9.919 -2.290 1.00 0.00 C ATOM 1137 C THR A 71 5.260 9.949 -1.379 1.00 0.00 C ATOM 1138 O THR A 71 4.149 9.613 -1.792 1.00 0.00 O ATOM 1139 CB THR A 71 6.931 11.349 -2.635 1.00 0.00 C ATOM 1140 OG1 THR A 71 6.098 11.908 -3.634 1.00 0.00 O ATOM 1141 CG2 THR A 71 8.381 11.379 -3.115 1.00 0.00 C ATOM 0 H THR A 71 6.008 9.746 -4.321 1.00 0.00 H new ATOM 0 HA THR A 71 7.304 9.419 -1.753 1.00 0.00 H new ATOM 0 HB THR A 71 6.841 11.942 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.672 12.720 -3.288 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.664 12.404 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.032 10.996 -2.329 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.482 10.758 -4.005 1.00 0.00 H new ATOM 1149 N TYR A 72 5.421 10.455 -0.154 1.00 0.00 N ATOM 1150 CA TYR A 72 4.311 10.750 0.743 1.00 0.00 C ATOM 1151 C TYR A 72 3.295 11.684 0.094 1.00 0.00 C ATOM 1152 O TYR A 72 2.103 11.448 0.232 1.00 0.00 O ATOM 1153 CB TYR A 72 4.822 11.392 2.032 1.00 0.00 C ATOM 1154 CG TYR A 72 5.694 10.499 2.886 1.00 0.00 C ATOM 1155 CD1 TYR A 72 5.136 9.380 3.526 1.00 0.00 C ATOM 1156 CD2 TYR A 72 7.048 10.816 3.088 1.00 0.00 C ATOM 1157 CE1 TYR A 72 5.916 8.608 4.401 1.00 0.00 C ATOM 1158 CE2 TYR A 72 7.848 10.020 3.920 1.00 0.00 C ATOM 1159 CZ TYR A 72 7.285 8.904 4.577 1.00 0.00 C ATOM 1160 OH TYR A 72 8.058 8.102 5.349 1.00 0.00 O ATOM 0 H TYR A 72 6.335 10.672 0.243 1.00 0.00 H new ATOM 0 HA TYR A 72 3.821 9.803 0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.387 12.288 1.775 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.966 11.714 2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.105 9.113 3.345 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.475 11.679 2.599 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.468 7.786 4.940 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.892 10.260 4.058 1.00 0.00 H new ATOM 0 HH TYR A 72 8.975 8.447 5.364 1.00 0.00 H new ATOM 1170 N SER A 73 3.746 12.729 -0.597 1.00 0.00 N ATOM 1171 CA SER A 73 2.861 13.713 -1.192 1.00 0.00 C ATOM 1172 C SER A 73 2.061 13.139 -2.361 1.00 0.00 C ATOM 1173 O SER A 73 0.884 13.467 -2.515 1.00 0.00 O ATOM 1174 CB SER A 73 3.708 14.901 -1.620 1.00 0.00 C ATOM 1175 OG SER A 73 4.792 14.491 -2.443 1.00 0.00 O ATOM 0 H SER A 73 4.737 12.912 -0.757 1.00 0.00 H new ATOM 0 HA SER A 73 2.119 14.027 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.088 15.617 -2.160 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.092 15.414 -0.738 1.00 0.00 H new ATOM 0 HG SER A 73 5.319 15.275 -2.705 1.00 0.00 H new ATOM 1181 N GLU A 74 2.672 12.262 -3.159 1.00 0.00 N ATOM 1182 CA GLU A 74 1.964 11.491 -4.166 1.00 0.00 C ATOM 1183 C GLU A 74 0.941 10.610 -3.467 1.00 0.00 C ATOM 1184 O GLU A 74 -0.199 10.607 -3.887 1.00 0.00 O ATOM 1185 CB GLU A 74 2.926 10.671 -5.035 1.00 0.00 C ATOM 1186 CG GLU A 74 3.616 11.517 -6.118 1.00 0.00 C ATOM 1187 CD GLU A 74 3.354 10.989 -7.533 1.00 0.00 C ATOM 1188 OE1 GLU A 74 2.175 10.890 -7.954 1.00 0.00 O ATOM 1189 OE2 GLU A 74 4.343 10.735 -8.261 1.00 0.00 O ATOM 0 H GLU A 74 3.673 12.071 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 74 1.451 12.169 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.684 10.214 -4.399 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.377 9.858 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.266 12.547 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.690 11.532 -5.933 1.00 0.00 H new ATOM 1196 N PHE A 75 1.268 9.936 -2.364 1.00 0.00 N ATOM 1197 CA PHE A 75 0.258 9.228 -1.582 1.00 0.00 C ATOM 1198 C PHE A 75 -0.903 10.141 -1.183 1.00 0.00 C ATOM 1199 O PHE A 75 -2.028 9.684 -1.300 1.00 0.00 O ATOM 1200 CB PHE A 75 0.926 8.502 -0.417 1.00 0.00 C ATOM 1201 CG PHE A 75 0.064 8.075 0.758 1.00 0.00 C ATOM 1202 CD1 PHE A 75 -1.081 7.279 0.574 1.00 0.00 C ATOM 1203 CD2 PHE A 75 0.469 8.408 2.062 1.00 0.00 C ATOM 1204 CE1 PHE A 75 -1.766 6.753 1.683 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.212 7.879 3.171 1.00 0.00 C ATOM 1206 CZ PHE A 75 -1.319 7.034 2.985 1.00 0.00 C ATOM 0 H PHE A 75 2.216 9.866 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.210 8.462 -2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.410 7.610 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.715 9.148 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.436 7.071 -0.425 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.307 9.073 2.212 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.637 6.132 1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.117 8.123 4.170 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.823 6.603 3.837 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.695 11.408 -0.803 1.00 0.00 N ATOM 1217 CA ILE A 76 -1.796 12.301 -0.423 1.00 0.00 C ATOM 1218 C ILE A 76 -2.799 12.505 -1.576 1.00 0.00 C ATOM 1219 O ILE A 76 -3.984 12.681 -1.296 1.00 0.00 O ATOM 1220 CB ILE A 76 -1.243 13.639 0.140 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.383 13.442 1.410 1.00 0.00 C ATOM 1222 CG2 ILE A 76 -2.361 14.650 0.445 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.978 12.542 2.501 1.00 0.00 C ATOM 0 H ILE A 76 0.228 11.838 -0.751 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.362 11.823 0.377 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.609 14.038 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.579 13.026 1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.185 14.422 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.924 15.569 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.911 14.871 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.041 14.228 1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.285 12.480 3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.924 12.961 2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.148 11.544 2.097 1.00 0.00 H new ATOM 1235 N ASP A 77 -2.380 12.436 -2.848 1.00 0.00 N ATOM 1236 CA ASP A 77 -3.283 12.462 -4.015 1.00 0.00 C ATOM 1237 C ASP A 77 -4.301 11.334 -3.977 1.00 0.00 C ATOM 1238 O ASP A 77 -5.411 11.445 -4.491 1.00 0.00 O ATOM 1239 CB ASP A 77 -2.447 12.478 -5.296 1.00 0.00 C ATOM 1240 CG ASP A 77 -3.008 11.944 -6.629 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -4.216 12.009 -6.957 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -2.168 11.507 -7.447 1.00 0.00 O ATOM 0 H ASP A 77 -1.395 12.360 -3.101 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.878 13.375 -3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.151 13.513 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.536 11.916 -5.087 1.00 0.00 H new ATOM 1247 N LEU A 78 -3.986 10.248 -3.295 1.00 0.00 N ATOM 1248 CA LEU A 78 -4.883 9.136 -3.227 1.00 0.00 C ATOM 1249 C LEU A 78 -5.964 9.358 -2.141 1.00 0.00 C ATOM 1250 O LEU A 78 -6.945 8.621 -2.122 1.00 0.00 O ATOM 1251 CB LEU A 78 -4.030 7.880 -3.045 1.00 0.00 C ATOM 1252 CG LEU A 78 -3.154 7.481 -4.248 1.00 0.00 C ATOM 1253 CD1 LEU A 78 -3.997 7.190 -5.477 1.00 0.00 C ATOM 1254 CD2 LEU A 78 -2.037 8.408 -4.685 1.00 0.00 C ATOM 0 H LEU A 78 -3.112 10.123 -2.784 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.460 9.018 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.382 8.027 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.691 7.046 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.654 6.603 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.347 6.912 -6.307 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.682 6.370 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.568 8.079 -5.746 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.521 7.977 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.455 9.376 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.331 8.538 -3.865 1.00 0.00 H new ATOM 1266 N LEU A 79 -5.841 10.360 -1.253 1.00 0.00 N ATOM 1267 CA LEU A 79 -6.778 10.683 -0.173 1.00 0.00 C ATOM 1268 C LEU A 79 -7.593 11.957 -0.427 1.00 0.00 C ATOM 1269 O LEU A 79 -8.245 12.453 0.490 1.00 0.00 O ATOM 1270 CB LEU A 79 -5.978 10.917 1.104 1.00 0.00 C ATOM 1271 CG LEU A 79 -5.178 9.736 1.650 1.00 0.00 C ATOM 1272 CD1 LEU A 79 -6.041 8.496 1.855 1.00 0.00 C ATOM 1273 CD2 LEU A 79 -3.954 9.332 0.865 1.00 0.00 C ATOM 0 H LEU A 79 -5.044 10.996 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.472 9.845 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.286 11.740 0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.669 11.246 1.881 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.821 10.130 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.426 7.685 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.837 8.720 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.478 8.195 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.473 8.484 1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.247 9.051 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.257 10.169 0.822 1.00 0.00 H new ATOM 1285 N GLU A 80 -7.506 12.579 -1.599 1.00 0.00 N ATOM 1286 CA GLU A 80 -8.083 13.905 -1.819 1.00 0.00 C ATOM 1287 C GLU A 80 -9.614 13.848 -1.734 1.00 0.00 C ATOM 1288 O GLU A 80 -10.285 13.462 -2.694 1.00 0.00 O ATOM 1289 CB GLU A 80 -7.640 14.497 -3.156 1.00 0.00 C ATOM 1290 CG GLU A 80 -6.134 14.476 -3.397 1.00 0.00 C ATOM 1291 CD GLU A 80 -5.851 15.102 -4.765 1.00 0.00 C ATOM 1292 OE1 GLU A 80 -6.290 14.588 -5.813 1.00 0.00 O ATOM 1293 OE2 GLU A 80 -5.301 16.227 -4.808 1.00 0.00 O ATOM 0 H GLU A 80 -7.039 12.185 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.714 14.560 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.130 13.949 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.989 15.528 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.617 15.030 -2.613 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.760 13.453 -3.364 1.00 0.00 H new ATOM 1300 N GLY A 81 -10.171 14.213 -0.579 1.00 0.00 N ATOM 1301 CA GLY A 81 -11.591 14.064 -0.303 1.00 0.00 C ATOM 1302 C GLY A 81 -11.998 12.605 -0.075 1.00 0.00 C ATOM 1303 O GLY A 81 -13.189 12.335 0.084 1.00 0.00 O ATOM 0 H GLY A 81 -9.643 14.622 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.849 14.651 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.164 14.471 -1.136 1.00 0.00 H new ATOM 1307 N GLU A 82 -11.056 11.661 0.002 1.00 0.00 N ATOM 1308 CA GLU A 82 -11.335 10.254 0.241 1.00 0.00 C ATOM 1309 C GLU A 82 -10.714 9.902 1.571 1.00 0.00 C ATOM 1310 O GLU A 82 -9.650 10.413 1.930 1.00 0.00 O ATOM 1311 CB GLU A 82 -10.742 9.336 -0.835 1.00 0.00 C ATOM 1312 CG GLU A 82 -11.489 9.335 -2.176 1.00 0.00 C ATOM 1313 CD GLU A 82 -12.719 8.420 -2.106 1.00 0.00 C ATOM 1314 OE1 GLU A 82 -13.517 8.542 -1.144 1.00 0.00 O ATOM 1315 OE2 GLU A 82 -12.863 7.484 -2.918 1.00 0.00 O ATOM 0 H GLU A 82 -10.062 11.863 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.415 10.106 0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.708 9.632 -1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.720 8.317 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.797 10.350 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.823 8.998 -2.970 1.00 0.00 H new ATOM 1322 N GLU A 83 -11.366 9.011 2.310 1.00 0.00 N ATOM 1323 CA GLU A 83 -10.875 8.662 3.621 1.00 0.00 C ATOM 1324 C GLU A 83 -11.468 7.366 4.134 1.00 0.00 C ATOM 1325 O GLU A 83 -12.133 7.356 5.173 1.00 0.00 O ATOM 1326 CB GLU A 83 -11.024 9.826 4.623 1.00 0.00 C ATOM 1327 CG GLU A 83 -12.369 10.544 4.490 1.00 0.00 C ATOM 1328 CD GLU A 83 -12.636 11.472 5.665 1.00 0.00 C ATOM 1329 OE1 GLU A 83 -12.878 10.955 6.788 1.00 0.00 O ATOM 1330 OE2 GLU A 83 -12.655 12.707 5.461 1.00 0.00 O ATOM 0 H GLU A 83 -12.219 8.530 2.024 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.805 8.480 3.519 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.919 9.443 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -10.217 10.541 4.467 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.384 11.118 3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.169 9.807 4.421 1.00 0.00 H new ATOM 1337 N LYS A 84 -11.245 6.281 3.390 1.00 0.00 N ATOM 1338 CA LYS A 84 -11.576 4.930 3.864 1.00 0.00 C ATOM 1339 C LYS A 84 -10.522 3.916 3.406 1.00 0.00 C ATOM 1340 O LYS A 84 -10.832 2.750 3.165 1.00 0.00 O ATOM 1341 CB LYS A 84 -12.988 4.578 3.347 1.00 0.00 C ATOM 1342 CG LYS A 84 -14.143 5.027 4.259 1.00 0.00 C ATOM 1343 CD LYS A 84 -15.127 6.006 3.610 1.00 0.00 C ATOM 1344 CE LYS A 84 -14.469 7.367 3.348 1.00 0.00 C ATOM 1345 NZ LYS A 84 -15.315 8.248 2.513 1.00 0.00 N ATOM 0 H LYS A 84 -10.836 6.309 2.456 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.574 4.896 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.123 5.031 2.365 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.050 3.498 3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.693 4.145 4.588 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.724 5.492 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.492 5.589 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.993 6.137 4.258 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.265 7.858 4.299 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -13.509 7.215 2.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -14.829 9.155 2.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -15.490 7.793 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.222 8.416 2.994 1.00 0.00 H new ATOM 1359 N PHE A 85 -9.256 4.335 3.406 1.00 0.00 N ATOM 1360 CA PHE A 85 -8.117 3.526 2.955 1.00 0.00 C ATOM 1361 C PHE A 85 -6.802 4.269 3.141 1.00 0.00 C ATOM 1362 O PHE A 85 -6.020 4.457 2.212 1.00 0.00 O ATOM 1363 CB PHE A 85 -8.310 3.036 1.507 1.00 0.00 C ATOM 1364 CG PHE A 85 -8.899 4.018 0.504 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -8.507 5.372 0.458 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -9.847 3.549 -0.424 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -9.079 6.239 -0.483 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -10.453 4.433 -1.333 1.00 0.00 C ATOM 1369 CZ PHE A 85 -10.074 5.785 -1.362 1.00 0.00 C ATOM 0 H PHE A 85 -8.985 5.265 3.726 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.071 2.637 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -7.340 2.712 1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.953 2.156 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.764 5.742 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.111 2.502 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.751 7.267 -0.532 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.212 4.072 -2.011 1.00 0.00 H new ATOM 0 HZ PHE A 85 -10.544 6.468 -2.054 1.00 0.00 H new ATOM 1379 N ILE A 86 -6.597 4.776 4.345 1.00 0.00 N ATOM 1380 CA ILE A 86 -5.372 5.461 4.711 1.00 0.00 C ATOM 1381 C ILE A 86 -4.387 4.388 5.199 1.00 0.00 C ATOM 1382 O ILE A 86 -4.725 3.202 5.284 1.00 0.00 O ATOM 1383 CB ILE A 86 -5.647 6.535 5.781 1.00 0.00 C ATOM 1384 CG1 ILE A 86 -7.119 6.968 5.938 1.00 0.00 C ATOM 1385 CG2 ILE A 86 -4.779 7.773 5.540 1.00 0.00 C ATOM 1386 CD1 ILE A 86 -7.840 7.667 4.772 1.00 0.00 C ATOM 0 H ILE A 86 -7.281 4.723 5.100 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.944 5.991 3.860 1.00 0.00 H new ATOM 0 HB ILE A 86 -5.386 6.045 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.695 6.077 6.189 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -7.172 7.634 6.799 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.989 8.519 6.306 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.726 7.493 5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.003 8.189 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -8.865 7.897 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.318 8.591 4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -7.849 7.009 3.903 1.00 0.00 H new ATOM 1398 N GLY A 87 -3.196 4.786 5.630 1.00 0.00 N ATOM 1399 CA GLY A 87 -2.497 4.053 6.658 1.00 0.00 C ATOM 1400 C GLY A 87 -1.067 4.491 6.779 1.00 0.00 C ATOM 1401 O GLY A 87 -0.763 5.617 6.326 1.00 0.00 O ATOM 0 H GLY A 87 -2.703 5.608 5.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.003 4.194 7.613 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.533 2.987 6.433 1.00 0.00 H new