USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 422 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 96 CYS SG : rot 118:sc= 0.264 USER MOD Set 1.2: A 105 CYS SG : rot 149:sc= 0.548 USER MOD Set 1.3: A 107 ASN : amide:sc= 0.0599 K(o=-2.9,f=-4.8) USER MOD Set 1.4: A 110 CYS SG : rot 147:sc= 0.202 USER MOD Set 1.5: A 114 HIS : no HD1:sc= -3.97! C(o=-2.9!,f=-5.3!) USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= -0.274 USER MOD Set 2.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 88 TYR OH : rot 110:sc= 0 USER MOD Set 3.2: A 93 MET CE :methyl -162:sc= -0.0755 (180deg=-0.464) USER MOD Set 4.1: A 68 CYS SG : rot 123:sc= 0.883 USER MOD Set 4.2: A 70 HIS : no HD1:sc= -1.82! C(o=-0.74!,f=-4.7!) USER MOD Set 4.3: A 76 CYS SG : rot 146:sc= 0 USER MOD Set 4.4: A 82 CYS SG : rot -130:sc= 0.374 USER MOD Set 4.5: A 86 HIS : no HD1:sc= -0.171 K(o=-0.74,f=-2.6) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -157:sc= -0.0756 (180deg=-0.388) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0014) USER MOD Single : A 81 GLN : amide:sc= -0.6 K(o=-0.6,f=-1.5) USER MOD Single : A 90 MET CE :methyl -161:sc= -0.732 (180deg=-1.82) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 63 -9.283 2.169 4.011 1.00 0.00 N ATOM 67 CA GLU A 63 -10.244 1.415 3.214 1.00 0.00 C ATOM 68 C GLU A 63 -9.981 -0.085 3.321 1.00 0.00 C ATOM 69 O GLU A 63 -9.106 -0.522 4.069 1.00 0.00 O ATOM 70 CB GLU A 63 -10.179 1.852 1.749 1.00 0.00 C ATOM 71 CG GLU A 63 -8.801 1.699 1.129 1.00 0.00 C ATOM 72 CD GLU A 63 -8.496 2.782 0.111 1.00 0.00 C ATOM 73 OE1 GLU A 63 -8.992 2.679 -1.030 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.761 3.730 0.456 1.00 0.00 O ATOM 0 HA GLU A 63 -11.241 1.620 3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.895 1.267 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.487 2.895 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.048 1.723 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.729 0.723 0.649 1.00 0.00 H new ATOM 81 N LYS A 64 -10.746 -0.868 2.569 1.00 0.00 N ATOM 82 CA LYS A 64 -10.598 -2.319 2.577 1.00 0.00 C ATOM 83 C LYS A 64 -9.349 -2.742 1.810 1.00 0.00 C ATOM 84 O LYS A 64 -9.122 -3.930 1.579 1.00 0.00 O ATOM 85 CB LYS A 64 -11.834 -2.982 1.965 1.00 0.00 C ATOM 86 CG LYS A 64 -13.145 -2.387 2.448 1.00 0.00 C ATOM 87 CD LYS A 64 -14.340 -3.092 1.829 1.00 0.00 C ATOM 88 CE LYS A 64 -14.602 -4.434 2.497 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.886 -5.037 2.043 1.00 0.00 N ATOM 0 H LYS A 64 -11.476 -0.522 1.946 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.495 -2.643 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.783 -2.895 0.880 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.819 -4.046 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.201 -2.461 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.178 -1.326 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.224 -2.460 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.164 -3.243 0.764 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.782 -5.117 2.275 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.624 -4.303 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.029 -5.950 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.672 -4.397 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.855 -5.185 1.014 1.00 0.00 H new ATOM 103 N THR A 65 -8.540 -1.763 1.417 1.00 0.00 N ATOM 104 CA THR A 65 -7.314 -2.034 0.677 1.00 0.00 C ATOM 105 C THR A 65 -6.654 -3.320 1.159 1.00 0.00 C ATOM 106 O THR A 65 -6.020 -4.034 0.381 1.00 0.00 O ATOM 107 CB THR A 65 -6.310 -0.874 0.809 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.052 -1.247 0.236 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.114 -0.491 2.269 1.00 0.00 C ATOM 0 H THR A 65 -8.712 -0.774 1.599 1.00 0.00 H new ATOM 0 HA THR A 65 -7.595 -2.144 -0.370 1.00 0.00 H new ATOM 0 HB THR A 65 -6.711 -0.013 0.274 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.420 -0.503 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.401 0.330 2.337 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.068 -0.179 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.733 -1.349 2.822 1.00 0.00 H new ATOM 117 N VAL A 66 -6.808 -3.612 2.447 1.00 0.00 N ATOM 118 CA VAL A 66 -6.227 -4.815 3.032 1.00 0.00 C ATOM 119 C VAL A 66 -7.249 -5.945 3.093 1.00 0.00 C ATOM 120 O VAL A 66 -8.425 -5.718 3.380 1.00 0.00 O ATOM 121 CB VAL A 66 -5.691 -4.546 4.451 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.482 -5.853 5.200 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.398 -3.746 4.388 1.00 0.00 C ATOM 0 H VAL A 66 -7.330 -3.033 3.105 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.399 -5.112 2.388 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.430 -3.958 4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.103 -5.643 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.431 -6.385 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.762 -6.470 4.662 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.033 -3.565 5.399 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.650 -4.307 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.584 -2.793 3.893 1.00 0.00 H new ATOM 133 N VAL A 67 -6.793 -7.163 2.823 1.00 0.00 N ATOM 134 CA VAL A 67 -7.667 -8.330 2.849 1.00 0.00 C ATOM 135 C VAL A 67 -7.826 -8.866 4.267 1.00 0.00 C ATOM 136 O VAL A 67 -6.841 -9.137 4.954 1.00 0.00 O ATOM 137 CB VAL A 67 -7.129 -9.454 1.944 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.756 -10.788 2.319 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.385 -9.128 0.480 1.00 0.00 C ATOM 0 H VAL A 67 -5.823 -7.368 2.584 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.638 -8.006 2.475 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.052 -9.532 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.364 -11.570 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.516 -11.024 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.838 -10.727 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.998 -9.933 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.457 -9.022 0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.883 -8.195 0.222 1.00 0.00 H new ATOM 149 N CYS A 68 -9.073 -9.018 4.700 1.00 0.00 N ATOM 150 CA CYS A 68 -9.364 -9.522 6.036 1.00 0.00 C ATOM 151 C CYS A 68 -8.454 -10.696 6.384 1.00 0.00 C ATOM 152 O CYS A 68 -8.177 -11.552 5.544 1.00 0.00 O ATOM 153 CB CYS A 68 -10.829 -9.951 6.135 1.00 0.00 C ATOM 154 SG CYS A 68 -11.359 -10.402 7.819 1.00 0.00 S ATOM 0 H CYS A 68 -9.899 -8.799 4.144 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.180 -8.718 6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.460 -9.139 5.772 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.993 -10.802 5.474 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.377 -9.671 8.164 1.00 0.00 H new ATOM 159 N LYS A 69 -7.991 -10.730 7.629 1.00 0.00 N ATOM 160 CA LYS A 69 -7.114 -11.799 8.091 1.00 0.00 C ATOM 161 C LYS A 69 -7.923 -12.965 8.650 1.00 0.00 C ATOM 162 O LYS A 69 -7.442 -14.097 8.708 1.00 0.00 O ATOM 163 CB LYS A 69 -6.153 -11.273 9.160 1.00 0.00 C ATOM 164 CG LYS A 69 -6.850 -10.555 10.303 1.00 0.00 C ATOM 165 CD LYS A 69 -6.870 -9.051 10.087 1.00 0.00 C ATOM 166 CE LYS A 69 -5.568 -8.406 10.538 1.00 0.00 C ATOM 167 NZ LYS A 69 -5.392 -8.486 12.015 1.00 0.00 N ATOM 0 H LYS A 69 -8.209 -10.029 8.337 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.538 -12.156 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.578 -12.107 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.442 -10.591 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.871 -10.924 10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.342 -10.782 11.240 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.037 -8.836 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.703 -8.614 10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.729 -8.898 10.045 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.553 -7.362 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.742 -7.737 12.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.313 -8.362 12.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.998 -9.415 12.268 1.00 0.00 H new ATOM 181 N HIS A 70 -9.156 -12.681 9.058 1.00 0.00 N ATOM 182 CA HIS A 70 -10.034 -13.707 9.610 1.00 0.00 C ATOM 183 C HIS A 70 -10.645 -14.555 8.499 1.00 0.00 C ATOM 184 O HIS A 70 -10.544 -15.782 8.514 1.00 0.00 O ATOM 185 CB HIS A 70 -11.142 -13.065 10.446 1.00 0.00 C ATOM 186 CG HIS A 70 -10.641 -12.045 11.421 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.073 -10.849 11.034 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.627 -12.046 12.775 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.730 -10.160 12.108 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.056 -10.864 13.177 1.00 0.00 N ATOM 0 H HIS A 70 -9.570 -11.750 9.017 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.436 -14.355 10.250 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.863 -12.594 9.778 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.674 -13.845 10.990 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.996 -12.831 13.419 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.262 -9.186 12.111 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.908 -10.576 14.144 1.00 0.00 H new ATOM 198 N TRP A 71 -11.279 -13.893 7.538 1.00 0.00 N ATOM 199 CA TRP A 71 -11.907 -14.586 6.419 1.00 0.00 C ATOM 200 C TRP A 71 -10.929 -15.551 5.758 1.00 0.00 C ATOM 201 O TRP A 71 -11.310 -16.643 5.332 1.00 0.00 O ATOM 202 CB TRP A 71 -12.421 -13.577 5.390 1.00 0.00 C ATOM 203 CG TRP A 71 -12.534 -14.144 4.007 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.596 -14.824 3.485 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.547 -14.079 2.972 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.329 -15.187 2.187 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.079 -14.742 1.848 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.267 -13.525 2.884 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.373 -14.864 0.654 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.568 -13.648 1.698 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.122 -14.313 0.596 1.00 0.00 C ATOM 0 H TRP A 71 -11.372 -12.878 7.511 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.749 -15.160 6.806 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.398 -13.212 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.751 -12.717 5.369 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.511 -15.044 4.014 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.960 -15.704 1.575 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.832 -13.010 3.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.798 -15.376 -0.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.578 -13.224 1.619 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.550 -14.392 -0.317 1.00 0.00 H new ATOM 222 N LEU A 72 -9.668 -15.143 5.674 1.00 0.00 N ATOM 223 CA LEU A 72 -8.634 -15.973 5.065 1.00 0.00 C ATOM 224 C LEU A 72 -8.710 -17.406 5.583 1.00 0.00 C ATOM 225 O LEU A 72 -8.753 -18.357 4.802 1.00 0.00 O ATOM 226 CB LEU A 72 -7.250 -15.389 5.349 1.00 0.00 C ATOM 227 CG LEU A 72 -6.845 -14.179 4.506 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.676 -13.448 5.147 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.495 -14.611 3.089 1.00 0.00 C ATOM 0 H LEU A 72 -9.336 -14.243 6.020 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.802 -15.986 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.207 -15.105 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.509 -16.174 5.200 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.691 -13.494 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.402 -12.590 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.962 -13.106 6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.824 -14.123 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.209 -13.738 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.664 -15.316 3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.361 -15.089 2.630 1.00 0.00 H new ATOM 241 N ARG A 73 -8.729 -17.552 6.903 1.00 0.00 N ATOM 242 CA ARG A 73 -8.801 -18.868 7.526 1.00 0.00 C ATOM 243 C ARG A 73 -10.242 -19.225 7.878 1.00 0.00 C ATOM 244 O ARG A 73 -10.491 -20.132 8.671 1.00 0.00 O ATOM 245 CB ARG A 73 -7.931 -18.910 8.783 1.00 0.00 C ATOM 246 CG ARG A 73 -6.467 -19.207 8.502 1.00 0.00 C ATOM 247 CD ARG A 73 -5.709 -19.532 9.780 1.00 0.00 C ATOM 248 NE ARG A 73 -4.524 -20.346 9.522 1.00 0.00 N ATOM 249 CZ ARG A 73 -3.883 -21.029 10.463 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.310 -20.998 11.718 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.812 -21.747 10.150 1.00 0.00 N ATOM 0 H ARG A 73 -8.696 -16.775 7.563 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.428 -19.601 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.006 -17.953 9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.323 -19.668 9.461 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.391 -20.045 7.810 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.008 -18.348 8.014 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.412 -18.605 10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.369 -20.060 10.468 1.00 0.00 H new ATOM 0 HE ARG A 73 -4.170 -20.392 8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.133 -20.448 11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.815 -21.524 12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.480 -21.775 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.320 -22.271 10.874 1.00 0.00 H new ATOM 265 N GLY A 74 -11.187 -18.503 7.284 1.00 0.00 N ATOM 266 CA GLY A 74 -12.591 -18.757 7.549 1.00 0.00 C ATOM 267 C GLY A 74 -12.970 -18.477 8.990 1.00 0.00 C ATOM 268 O GLY A 74 -13.562 -19.324 9.661 1.00 0.00 O ATOM 0 H GLY A 74 -11.005 -17.747 6.624 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.200 -18.138 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.820 -19.796 7.312 1.00 0.00 H new ATOM 272 N LEU A 75 -12.627 -17.286 9.469 1.00 0.00 N ATOM 273 CA LEU A 75 -12.933 -16.896 10.841 1.00 0.00 C ATOM 274 C LEU A 75 -13.727 -15.595 10.873 1.00 0.00 C ATOM 275 O LEU A 75 -13.649 -14.831 11.836 1.00 0.00 O ATOM 276 CB LEU A 75 -11.642 -16.740 11.648 1.00 0.00 C ATOM 277 CG LEU A 75 -10.721 -17.960 11.684 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.428 -17.631 12.413 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.423 -19.138 12.344 1.00 0.00 C ATOM 0 H LEU A 75 -12.137 -16.574 8.928 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.541 -17.682 11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.082 -15.899 11.240 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.907 -16.480 12.673 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.475 -18.237 10.659 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.785 -18.511 12.429 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.917 -16.817 11.898 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.654 -17.328 13.436 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.753 -19.998 12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.698 -18.872 13.365 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.321 -19.389 11.780 1.00 0.00 H new ATOM 291 N CYS A 76 -14.492 -15.348 9.815 1.00 0.00 N ATOM 292 CA CYS A 76 -15.302 -14.140 9.722 1.00 0.00 C ATOM 293 C CYS A 76 -16.720 -14.470 9.265 1.00 0.00 C ATOM 294 O CYS A 76 -16.937 -15.416 8.507 1.00 0.00 O ATOM 295 CB CYS A 76 -14.662 -13.145 8.752 1.00 0.00 C ATOM 296 SG CYS A 76 -14.995 -11.399 9.151 1.00 0.00 S ATOM 0 H CYS A 76 -14.568 -15.969 9.010 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.353 -13.690 10.713 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.584 -13.305 8.743 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.024 -13.352 7.745 1.00 0.00 H new ATOM 0 HG CYS A 76 -13.959 -10.678 8.840 1.00 0.00 H new ATOM 301 N LYS A 77 -17.684 -13.684 9.732 1.00 0.00 N ATOM 302 CA LYS A 77 -19.082 -13.890 9.372 1.00 0.00 C ATOM 303 C LYS A 77 -19.745 -12.571 8.989 1.00 0.00 C ATOM 304 O LYS A 77 -20.960 -12.414 9.118 1.00 0.00 O ATOM 305 CB LYS A 77 -19.840 -14.535 10.535 1.00 0.00 C ATOM 306 CG LYS A 77 -21.111 -15.249 10.110 1.00 0.00 C ATOM 307 CD LYS A 77 -20.846 -16.708 9.775 1.00 0.00 C ATOM 308 CE LYS A 77 -20.344 -16.869 8.349 1.00 0.00 C ATOM 309 NZ LYS A 77 -20.736 -18.183 7.768 1.00 0.00 N ATOM 0 H LYS A 77 -17.523 -12.898 10.361 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.115 -14.557 8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.183 -15.247 11.036 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.092 -13.766 11.265 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.849 -15.187 10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.538 -14.747 9.242 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.110 -17.114 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.761 -17.285 9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.743 -16.065 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.258 -16.774 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.375 -18.254 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -20.334 -18.951 8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.773 -18.263 7.759 1.00 0.00 H new ATOM 323 N LYS A 78 -18.941 -11.625 8.515 1.00 0.00 N ATOM 324 CA LYS A 78 -19.450 -10.320 8.109 1.00 0.00 C ATOM 325 C LYS A 78 -19.678 -10.270 6.602 1.00 0.00 C ATOM 326 O LYS A 78 -20.619 -9.635 6.128 1.00 0.00 O ATOM 327 CB LYS A 78 -18.473 -9.218 8.525 1.00 0.00 C ATOM 328 CG LYS A 78 -18.157 -9.214 10.011 1.00 0.00 C ATOM 329 CD LYS A 78 -17.341 -7.994 10.404 1.00 0.00 C ATOM 330 CE LYS A 78 -17.557 -7.627 11.864 1.00 0.00 C ATOM 331 NZ LYS A 78 -17.033 -8.674 12.783 1.00 0.00 N ATOM 0 H LYS A 78 -17.934 -11.738 8.403 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.405 -10.158 8.608 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.545 -9.336 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.891 -8.250 8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.086 -9.231 10.581 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.608 -10.119 10.270 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.283 -8.191 10.230 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.617 -7.151 9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -17.065 -6.678 12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.621 -7.482 12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.184 -8.378 13.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.532 -9.570 12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.015 -8.807 12.614 1.00 0.00 H new ATOM 345 N GLY A 79 -18.811 -10.945 5.853 1.00 0.00 N ATOM 346 CA GLY A 79 -18.936 -10.965 4.408 1.00 0.00 C ATOM 347 C GLY A 79 -18.770 -9.589 3.792 1.00 0.00 C ATOM 348 O GLY A 79 -17.651 -9.093 3.659 1.00 0.00 O ATOM 0 H GLY A 79 -18.024 -11.479 6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.188 -11.639 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.913 -11.366 4.136 1.00 0.00 H new ATOM 352 N ASP A 80 -19.885 -8.973 3.415 1.00 0.00 N ATOM 353 CA ASP A 80 -19.858 -7.647 2.809 1.00 0.00 C ATOM 354 C ASP A 80 -19.970 -6.561 3.875 1.00 0.00 C ATOM 355 O ASP A 80 -20.012 -5.372 3.560 1.00 0.00 O ATOM 356 CB ASP A 80 -20.993 -7.503 1.795 1.00 0.00 C ATOM 357 CG ASP A 80 -20.688 -6.469 0.728 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.847 -5.262 1.009 1.00 0.00 O ATOM 359 OD2 ASP A 80 -20.291 -6.867 -0.386 1.00 0.00 O ATOM 0 H ASP A 80 -20.819 -9.371 3.518 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.905 -7.529 2.294 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.177 -8.467 1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.909 -7.224 2.316 1.00 0.00 H new ATOM 364 N GLN A 81 -20.020 -6.979 5.136 1.00 0.00 N ATOM 365 CA GLN A 81 -20.130 -6.041 6.247 1.00 0.00 C ATOM 366 C GLN A 81 -18.763 -5.766 6.864 1.00 0.00 C ATOM 367 O GLN A 81 -18.576 -4.772 7.567 1.00 0.00 O ATOM 368 CB GLN A 81 -21.083 -6.588 7.311 1.00 0.00 C ATOM 369 CG GLN A 81 -22.546 -6.542 6.900 1.00 0.00 C ATOM 370 CD GLN A 81 -22.984 -7.792 6.162 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.005 -8.885 6.728 1.00 0.00 O ATOM 372 NE2 GLN A 81 -23.337 -7.637 4.891 1.00 0.00 N ATOM 0 H GLN A 81 -19.986 -7.960 5.413 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.529 -5.103 5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.810 -7.619 7.536 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.954 -6.016 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.165 -6.413 7.788 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.714 -5.672 6.265 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.304 -6.712 4.462 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.641 -8.443 4.344 1.00 0.00 H new ATOM 381 N CYS A 82 -17.810 -6.653 6.598 1.00 0.00 N ATOM 382 CA CYS A 82 -16.460 -6.507 7.128 1.00 0.00 C ATOM 383 C CYS A 82 -15.840 -5.186 6.683 1.00 0.00 C ATOM 384 O CYS A 82 -16.283 -4.579 5.708 1.00 0.00 O ATOM 385 CB CYS A 82 -15.582 -7.674 6.671 1.00 0.00 C ATOM 386 SG CYS A 82 -14.051 -7.875 7.638 1.00 0.00 S ATOM 0 H CYS A 82 -17.948 -7.481 6.018 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.522 -6.511 8.216 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.161 -8.596 6.731 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.321 -7.530 5.623 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.037 -7.973 6.830 1.00 0.00 H new ATOM 391 N GLU A 83 -14.814 -4.746 7.405 1.00 0.00 N ATOM 392 CA GLU A 83 -14.135 -3.497 7.084 1.00 0.00 C ATOM 393 C GLU A 83 -12.940 -3.746 6.168 1.00 0.00 C ATOM 394 O GLU A 83 -12.256 -2.811 5.752 1.00 0.00 O ATOM 395 CB GLU A 83 -13.672 -2.798 8.364 1.00 0.00 C ATOM 396 CG GLU A 83 -13.253 -3.759 9.464 1.00 0.00 C ATOM 397 CD GLU A 83 -12.241 -3.151 10.415 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.571 -2.173 10.022 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.117 -3.654 11.552 1.00 0.00 O ATOM 0 H GLU A 83 -14.435 -5.236 8.216 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.843 -2.853 6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.834 -2.142 8.127 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.478 -2.164 8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.134 -4.068 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.830 -4.657 9.015 1.00 0.00 H new ATOM 406 N PHE A 84 -12.694 -5.015 5.859 1.00 0.00 N ATOM 407 CA PHE A 84 -11.582 -5.389 4.994 1.00 0.00 C ATOM 408 C PHE A 84 -12.073 -6.189 3.790 1.00 0.00 C ATOM 409 O PHE A 84 -13.222 -6.633 3.753 1.00 0.00 O ATOM 410 CB PHE A 84 -10.551 -6.206 5.777 1.00 0.00 C ATOM 411 CG PHE A 84 -9.897 -5.437 6.889 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.476 -5.384 8.146 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.702 -4.768 6.676 1.00 0.00 C ATOM 414 CE1 PHE A 84 -9.877 -4.677 9.172 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.098 -4.060 7.698 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.686 -4.014 8.947 1.00 0.00 C ATOM 0 H PHE A 84 -13.250 -5.801 6.195 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.113 -4.474 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.038 -7.088 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.783 -6.561 5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.407 -5.901 8.327 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.238 -4.800 5.701 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.339 -4.643 10.148 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.167 -3.543 7.520 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.216 -3.461 9.746 1.00 0.00 H new ATOM 426 N LEU A 85 -11.196 -6.369 2.809 1.00 0.00 N ATOM 427 CA LEU A 85 -11.539 -7.115 1.603 1.00 0.00 C ATOM 428 C LEU A 85 -11.643 -8.608 1.897 1.00 0.00 C ATOM 429 O LEU A 85 -10.876 -9.149 2.695 1.00 0.00 O ATOM 430 CB LEU A 85 -10.495 -6.869 0.513 1.00 0.00 C ATOM 431 CG LEU A 85 -10.608 -5.542 -0.239 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.249 -5.111 -0.767 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.612 -5.658 -1.376 1.00 0.00 C ATOM 0 H LEU A 85 -10.242 -6.009 2.825 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.510 -6.765 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.506 -6.923 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.558 -7.681 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.963 -4.781 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.349 -4.165 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.557 -4.987 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.865 -5.871 -1.447 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.680 -4.705 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.287 -6.432 -2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.590 -5.920 -0.972 1.00 0.00 H new ATOM 445 N HIS A 86 -12.595 -9.269 1.246 1.00 0.00 N ATOM 446 CA HIS A 86 -12.797 -10.701 1.436 1.00 0.00 C ATOM 447 C HIS A 86 -12.438 -11.473 0.170 1.00 0.00 C ATOM 448 O HIS A 86 -12.963 -12.558 -0.076 1.00 0.00 O ATOM 449 CB HIS A 86 -14.247 -10.986 1.826 1.00 0.00 C ATOM 450 CG HIS A 86 -14.499 -10.901 3.300 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.556 -11.531 3.921 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.821 -10.255 4.278 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.519 -11.276 5.217 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.475 -10.503 5.460 1.00 0.00 N ATOM 0 H HIS A 86 -13.238 -8.836 0.583 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.140 -11.031 2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.898 -10.278 1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.520 -11.982 1.476 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.931 -9.656 4.152 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.222 -11.638 5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.200 -10.148 6.376 1.00 0.00 H new ATOM 462 N GLU A 87 -11.540 -10.904 -0.630 1.00 0.00 N ATOM 463 CA GLU A 87 -11.113 -11.539 -1.871 1.00 0.00 C ATOM 464 C GLU A 87 -9.595 -11.488 -2.014 1.00 0.00 C ATOM 465 O GLU A 87 -8.987 -10.422 -1.918 1.00 0.00 O ATOM 466 CB GLU A 87 -11.773 -10.857 -3.072 1.00 0.00 C ATOM 467 CG GLU A 87 -11.334 -9.416 -3.269 1.00 0.00 C ATOM 468 CD GLU A 87 -12.253 -8.649 -4.200 1.00 0.00 C ATOM 469 OE1 GLU A 87 -13.473 -8.916 -4.184 1.00 0.00 O ATOM 470 OE2 GLU A 87 -11.753 -7.780 -4.944 1.00 0.00 O ATOM 0 H GLU A 87 -11.095 -10.006 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.423 -12.584 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.543 -11.425 -3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.855 -10.884 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.302 -8.914 -2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.321 -9.400 -3.670 1.00 0.00 H new ATOM 477 N TYR A 88 -8.989 -12.648 -2.243 1.00 0.00 N ATOM 478 CA TYR A 88 -7.542 -12.737 -2.396 1.00 0.00 C ATOM 479 C TYR A 88 -7.070 -11.926 -3.599 1.00 0.00 C ATOM 480 O TYR A 88 -7.222 -12.349 -4.745 1.00 0.00 O ATOM 481 CB TYR A 88 -7.114 -14.197 -2.552 1.00 0.00 C ATOM 482 CG TYR A 88 -5.761 -14.500 -1.948 1.00 0.00 C ATOM 483 CD1 TYR A 88 -5.640 -14.867 -0.614 1.00 0.00 C ATOM 484 CD2 TYR A 88 -4.603 -14.419 -2.713 1.00 0.00 C ATOM 485 CE1 TYR A 88 -4.406 -15.143 -0.057 1.00 0.00 C ATOM 486 CE2 TYR A 88 -3.365 -14.695 -2.165 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.272 -15.056 -0.837 1.00 0.00 C ATOM 488 OH TYR A 88 -2.041 -15.331 -0.288 1.00 0.00 O ATOM 0 H TYR A 88 -9.478 -13.539 -2.327 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.081 -12.324 -1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.862 -14.838 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.094 -14.450 -3.612 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -6.526 -14.938 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -4.672 -14.136 -3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.330 -15.425 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.475 -14.628 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.699 -16.173 -0.656 1.00 0.00 H new ATOM 498 N ASP A 89 -6.497 -10.758 -3.328 1.00 0.00 N ATOM 499 CA ASP A 89 -6.001 -9.887 -4.387 1.00 0.00 C ATOM 500 C ASP A 89 -4.541 -9.516 -4.145 1.00 0.00 C ATOM 501 O ASP A 89 -4.231 -8.714 -3.264 1.00 0.00 O ATOM 502 CB ASP A 89 -6.853 -8.620 -4.476 1.00 0.00 C ATOM 503 CG ASP A 89 -8.025 -8.777 -5.426 1.00 0.00 C ATOM 504 OD1 ASP A 89 -8.493 -9.920 -5.607 1.00 0.00 O ATOM 505 OD2 ASP A 89 -8.473 -7.755 -5.987 1.00 0.00 O ATOM 0 H ASP A 89 -6.365 -10.393 -2.385 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.069 -10.428 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.225 -8.365 -3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.230 -7.789 -4.806 1.00 0.00 H new ATOM 510 N MET A 90 -3.648 -10.106 -4.933 1.00 0.00 N ATOM 511 CA MET A 90 -2.220 -9.837 -4.805 1.00 0.00 C ATOM 512 C MET A 90 -1.945 -8.337 -4.830 1.00 0.00 C ATOM 513 O MET A 90 -0.870 -7.885 -4.434 1.00 0.00 O ATOM 514 CB MET A 90 -1.446 -10.528 -5.928 1.00 0.00 C ATOM 515 CG MET A 90 -1.760 -12.010 -6.060 1.00 0.00 C ATOM 516 SD MET A 90 -1.367 -12.939 -4.566 1.00 0.00 S ATOM 517 CE MET A 90 0.314 -12.400 -4.264 1.00 0.00 C ATOM 0 H MET A 90 -3.888 -10.773 -5.666 1.00 0.00 H new ATOM 0 HA MET A 90 -1.886 -10.234 -3.846 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.671 -10.032 -6.872 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.378 -10.406 -5.750 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.818 -12.134 -6.293 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.199 -12.423 -6.898 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.810 -13.109 -3.601 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.854 -12.347 -5.209 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.302 -11.415 -3.797 1.00 0.00 H new ATOM 527 N THR A 91 -2.923 -7.568 -5.300 1.00 0.00 N ATOM 528 CA THR A 91 -2.785 -6.119 -5.379 1.00 0.00 C ATOM 529 C THR A 91 -3.430 -5.439 -4.176 1.00 0.00 C ATOM 530 O THR A 91 -2.998 -4.368 -3.750 1.00 0.00 O ATOM 531 CB THR A 91 -3.419 -5.564 -6.668 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.844 -5.695 -6.610 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.887 -6.296 -7.891 1.00 0.00 C ATOM 0 H THR A 91 -3.819 -7.925 -5.632 1.00 0.00 H new ATOM 0 HA THR A 91 -1.717 -5.903 -5.386 1.00 0.00 H new ATOM 0 HB THR A 91 -3.155 -4.510 -6.751 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.239 -5.338 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.349 -5.887 -8.789 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.806 -6.169 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.124 -7.357 -7.812 1.00 0.00 H new ATOM 541 N LYS A 92 -4.466 -6.069 -3.631 1.00 0.00 N ATOM 542 CA LYS A 92 -5.170 -5.526 -2.476 1.00 0.00 C ATOM 543 C LYS A 92 -4.812 -6.297 -1.209 1.00 0.00 C ATOM 544 O LYS A 92 -5.586 -6.333 -0.253 1.00 0.00 O ATOM 545 CB LYS A 92 -6.682 -5.575 -2.704 1.00 0.00 C ATOM 546 CG LYS A 92 -7.108 -5.053 -4.066 1.00 0.00 C ATOM 547 CD LYS A 92 -7.540 -3.598 -3.996 1.00 0.00 C ATOM 548 CE LYS A 92 -6.351 -2.658 -4.122 1.00 0.00 C ATOM 549 NZ LYS A 92 -5.923 -2.493 -5.539 1.00 0.00 N ATOM 0 H LYS A 92 -4.836 -6.956 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.861 -4.488 -2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.024 -6.604 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.177 -4.990 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.282 -5.155 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.929 -5.659 -4.448 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.255 -3.391 -4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.052 -3.414 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.611 -1.685 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.519 -3.044 -3.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.110 -1.845 -5.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.650 -3.418 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.709 -2.101 -6.096 1.00 0.00 H new ATOM 563 N MET A 93 -3.633 -6.911 -1.209 1.00 0.00 N ATOM 564 CA MET A 93 -3.172 -7.679 -0.058 1.00 0.00 C ATOM 565 C MET A 93 -1.890 -7.083 0.515 1.00 0.00 C ATOM 566 O MET A 93 -1.101 -6.453 -0.190 1.00 0.00 O ATOM 567 CB MET A 93 -2.938 -9.139 -0.453 1.00 0.00 C ATOM 568 CG MET A 93 -1.543 -9.405 -0.997 1.00 0.00 C ATOM 569 SD MET A 93 -1.293 -11.132 -1.451 1.00 0.00 S ATOM 570 CE MET A 93 -1.376 -11.919 0.156 1.00 0.00 C ATOM 0 H MET A 93 -2.980 -6.892 -1.992 1.00 0.00 H new ATOM 0 HA MET A 93 -3.945 -7.637 0.709 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.107 -9.774 0.417 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.673 -9.426 -1.205 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.371 -8.775 -1.870 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.804 -9.120 -0.248 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.933 -12.913 0.098 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.829 -11.320 0.883 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.417 -12.004 0.466 1.00 0.00 H new ATOM 580 N PRO A 94 -1.676 -7.285 1.823 1.00 0.00 N ATOM 581 CA PRO A 94 -0.490 -6.775 2.519 1.00 0.00 C ATOM 582 C PRO A 94 0.784 -7.499 2.099 1.00 0.00 C ATOM 583 O PRO A 94 0.810 -8.725 2.004 1.00 0.00 O ATOM 584 CB PRO A 94 -0.799 -7.049 3.993 1.00 0.00 C ATOM 585 CG PRO A 94 -1.754 -8.192 3.974 1.00 0.00 C ATOM 586 CD PRO A 94 -2.574 -8.027 2.724 1.00 0.00 C ATOM 0 HA PRO A 94 -0.307 -5.724 2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.106 -7.298 4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.237 -6.175 4.475 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.223 -9.144 3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.388 -8.185 4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.861 -8.990 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.495 -7.476 2.917 1.00 0.00 H new ATOM 594 N GLU A 95 1.840 -6.731 1.849 1.00 0.00 N ATOM 595 CA GLU A 95 3.118 -7.300 1.438 1.00 0.00 C ATOM 596 C GLU A 95 3.678 -8.217 2.521 1.00 0.00 C ATOM 597 O GLU A 95 3.131 -8.305 3.621 1.00 0.00 O ATOM 598 CB GLU A 95 4.122 -6.187 1.128 1.00 0.00 C ATOM 599 CG GLU A 95 3.640 -5.212 0.067 1.00 0.00 C ATOM 600 CD GLU A 95 2.680 -4.177 0.619 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.010 -3.549 1.646 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.598 -3.994 0.022 1.00 0.00 O ATOM 0 H GLU A 95 1.836 -5.714 1.924 1.00 0.00 H new ATOM 0 HA GLU A 95 2.951 -7.890 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.337 -5.637 2.044 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.059 -6.636 0.799 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.499 -4.707 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.150 -5.766 -0.734 1.00 0.00 H new ATOM 609 N CYS A 96 4.773 -8.900 2.202 1.00 0.00 N ATOM 610 CA CYS A 96 5.408 -9.812 3.146 1.00 0.00 C ATOM 611 C CYS A 96 5.877 -9.066 4.391 1.00 0.00 C ATOM 612 O CYS A 96 6.807 -8.261 4.332 1.00 0.00 O ATOM 613 CB CYS A 96 6.592 -10.520 2.485 1.00 0.00 C ATOM 614 SG CYS A 96 7.227 -11.944 3.427 1.00 0.00 S ATOM 0 H CYS A 96 5.239 -8.839 1.297 1.00 0.00 H new ATOM 0 HA CYS A 96 4.670 -10.556 3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.292 -10.859 1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.399 -9.801 2.345 1.00 0.00 H new ATOM 0 HG CYS A 96 7.088 -13.027 2.722 1.00 0.00 H new ATOM 619 N TYR A 97 5.229 -9.340 5.518 1.00 0.00 N ATOM 620 CA TYR A 97 5.578 -8.694 6.777 1.00 0.00 C ATOM 621 C TYR A 97 7.086 -8.728 7.007 1.00 0.00 C ATOM 622 O TYR A 97 7.667 -7.781 7.538 1.00 0.00 O ATOM 623 CB TYR A 97 4.858 -9.376 7.942 1.00 0.00 C ATOM 624 CG TYR A 97 5.601 -9.278 9.255 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.106 -8.062 9.700 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.800 -10.400 10.049 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.786 -7.967 10.899 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.478 -10.314 11.249 1.00 0.00 C ATOM 629 CZ TYR A 97 6.969 -9.096 11.670 1.00 0.00 C ATOM 630 OH TYR A 97 7.646 -9.007 12.865 1.00 0.00 O ATOM 0 H TYR A 97 4.459 -10.005 5.585 1.00 0.00 H new ATOM 0 HA TYR A 97 5.260 -7.653 6.722 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.871 -8.930 8.059 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.706 -10.427 7.698 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.964 -7.176 9.098 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.418 -11.356 9.722 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.172 -7.014 11.231 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.623 -11.196 11.855 1.00 0.00 H new ATOM 0 HH TYR A 97 7.687 -9.892 13.285 1.00 0.00 H new ATOM 640 N PHE A 98 7.715 -9.827 6.603 1.00 0.00 N ATOM 641 CA PHE A 98 9.155 -9.987 6.764 1.00 0.00 C ATOM 642 C PHE A 98 9.915 -9.063 5.816 1.00 0.00 C ATOM 643 O PHE A 98 10.603 -8.140 6.251 1.00 0.00 O ATOM 644 CB PHE A 98 9.560 -11.440 6.512 1.00 0.00 C ATOM 645 CG PHE A 98 9.010 -12.401 7.526 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.630 -12.563 8.755 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.872 -13.143 7.252 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.126 -13.446 9.691 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.363 -14.027 8.184 1.00 0.00 C ATOM 650 CZ PHE A 98 7.991 -14.180 9.405 1.00 0.00 C ATOM 0 H PHE A 98 7.250 -10.620 6.162 1.00 0.00 H new ATOM 0 HA PHE A 98 9.412 -9.718 7.789 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.219 -11.737 5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.648 -11.510 6.510 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.518 -11.992 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.377 -13.029 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.619 -13.562 10.645 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.475 -14.598 7.958 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.596 -14.872 10.134 1.00 0.00 H new ATOM 660 N TYR A 99 9.784 -9.320 4.520 1.00 0.00 N ATOM 661 CA TYR A 99 10.460 -8.515 3.509 1.00 0.00 C ATOM 662 C TYR A 99 10.024 -7.055 3.595 1.00 0.00 C ATOM 663 O TYR A 99 10.664 -6.170 3.027 1.00 0.00 O ATOM 664 CB TYR A 99 10.170 -9.064 2.111 1.00 0.00 C ATOM 665 CG TYR A 99 11.281 -8.807 1.117 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.315 -9.720 0.950 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.296 -7.651 0.347 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.331 -9.489 0.044 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.308 -7.413 -0.563 1.00 0.00 C ATOM 670 CZ TYR A 99 13.323 -8.334 -0.711 1.00 0.00 C ATOM 671 OH TYR A 99 14.334 -8.100 -1.615 1.00 0.00 O ATOM 0 H TYR A 99 9.216 -10.079 4.144 1.00 0.00 H new ATOM 0 HA TYR A 99 11.532 -8.567 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.997 -10.138 2.180 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.249 -8.616 1.738 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.324 -10.625 1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.504 -6.926 0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.128 -10.209 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.304 -6.510 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 99 14.178 -7.244 -2.065 1.00 0.00 H new ATOM 681 N SER A 100 8.929 -6.812 4.309 1.00 0.00 N ATOM 682 CA SER A 100 8.404 -5.461 4.467 1.00 0.00 C ATOM 683 C SER A 100 8.992 -4.792 5.705 1.00 0.00 C ATOM 684 O SER A 100 9.095 -3.567 5.774 1.00 0.00 O ATOM 685 CB SER A 100 6.878 -5.493 4.566 1.00 0.00 C ATOM 686 OG SER A 100 6.372 -4.257 5.040 1.00 0.00 O ATOM 0 H SER A 100 8.389 -7.533 4.787 1.00 0.00 H new ATOM 0 HA SER A 100 8.692 -4.880 3.591 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.451 -5.713 3.587 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.571 -6.296 5.236 1.00 0.00 H new ATOM 0 HG SER A 100 5.394 -4.302 5.093 1.00 0.00 H new ATOM 692 N LYS A 101 9.377 -5.605 6.683 1.00 0.00 N ATOM 693 CA LYS A 101 9.956 -5.094 7.920 1.00 0.00 C ATOM 694 C LYS A 101 11.468 -5.289 7.934 1.00 0.00 C ATOM 695 O LYS A 101 12.229 -4.321 7.944 1.00 0.00 O ATOM 696 CB LYS A 101 9.329 -5.795 9.128 1.00 0.00 C ATOM 697 CG LYS A 101 9.405 -4.983 10.409 1.00 0.00 C ATOM 698 CD LYS A 101 10.748 -5.155 11.100 1.00 0.00 C ATOM 699 CE LYS A 101 10.621 -5.006 12.609 1.00 0.00 C ATOM 700 NZ LYS A 101 11.867 -4.465 13.219 1.00 0.00 N ATOM 0 H LYS A 101 9.298 -6.621 6.643 1.00 0.00 H new ATOM 0 HA LYS A 101 9.745 -4.026 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.284 -6.014 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.830 -6.751 9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.244 -3.929 10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.606 -5.290 11.084 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.157 -6.137 10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.452 -4.416 10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.786 -4.344 12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.391 -5.975 13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.741 -4.378 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.659 -5.109 13.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.073 -3.529 12.815 1.00 0.00 H new ATOM 714 N PHE A 102 11.898 -6.547 7.933 1.00 0.00 N ATOM 715 CA PHE A 102 13.321 -6.868 7.945 1.00 0.00 C ATOM 716 C PHE A 102 13.912 -6.770 6.541 1.00 0.00 C ATOM 717 O PHE A 102 15.097 -6.483 6.374 1.00 0.00 O ATOM 718 CB PHE A 102 13.543 -8.274 8.507 1.00 0.00 C ATOM 719 CG PHE A 102 12.956 -8.472 9.875 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.685 -8.153 11.009 1.00 0.00 C ATOM 721 CD2 PHE A 102 11.674 -8.977 10.027 1.00 0.00 C ATOM 722 CE1 PHE A 102 13.147 -8.334 12.270 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.131 -9.159 11.285 1.00 0.00 C ATOM 724 CZ PHE A 102 11.869 -8.839 12.408 1.00 0.00 C ATOM 0 H PHE A 102 11.282 -7.360 7.924 1.00 0.00 H new ATOM 0 HA PHE A 102 13.826 -6.144 8.585 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.106 -9.003 7.824 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.613 -8.476 8.547 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.685 -7.758 10.907 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.093 -9.231 9.153 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.726 -8.081 13.146 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.130 -9.551 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.447 -8.983 13.392 1.00 0.00 H new ATOM 734 N GLY A 103 13.077 -7.012 5.535 1.00 0.00 N ATOM 735 CA GLY A 103 13.534 -6.947 4.160 1.00 0.00 C ATOM 736 C GLY A 103 14.393 -8.136 3.777 1.00 0.00 C ATOM 737 O GLY A 103 15.308 -8.013 2.964 1.00 0.00 O ATOM 0 H GLY A 103 12.092 -7.252 5.648 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.671 -6.897 3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.103 -6.029 4.013 1.00 0.00 H new ATOM 741 N GLU A 104 14.097 -9.291 4.366 1.00 0.00 N ATOM 742 CA GLU A 104 14.851 -10.507 4.083 1.00 0.00 C ATOM 743 C GLU A 104 13.949 -11.736 4.155 1.00 0.00 C ATOM 744 O GLU A 104 13.472 -12.108 5.227 1.00 0.00 O ATOM 745 CB GLU A 104 16.012 -10.655 5.070 1.00 0.00 C ATOM 746 CG GLU A 104 16.818 -9.380 5.257 1.00 0.00 C ATOM 747 CD GLU A 104 17.809 -9.146 4.133 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.415 -10.132 3.663 1.00 0.00 O ATOM 749 OE2 GLU A 104 17.979 -7.979 3.725 1.00 0.00 O ATOM 0 H GLU A 104 13.342 -9.410 5.041 1.00 0.00 H new ATOM 0 HA GLU A 104 15.250 -10.429 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.619 -10.971 6.036 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.675 -11.447 4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.138 -8.531 5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.354 -9.429 6.205 1.00 0.00 H new ATOM 756 N CYS A 105 13.719 -12.361 3.005 1.00 0.00 N ATOM 757 CA CYS A 105 12.874 -13.547 2.935 1.00 0.00 C ATOM 758 C CYS A 105 13.465 -14.580 1.979 1.00 0.00 C ATOM 759 O CYS A 105 13.698 -14.293 0.805 1.00 0.00 O ATOM 760 CB CYS A 105 11.462 -13.167 2.483 1.00 0.00 C ATOM 761 SG CYS A 105 10.174 -14.348 2.995 1.00 0.00 S ATOM 0 H CYS A 105 14.106 -12.066 2.109 1.00 0.00 H new ATOM 0 HA CYS A 105 12.824 -13.986 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.217 -12.183 2.882 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.451 -13.082 1.396 1.00 0.00 H new ATOM 0 HG CYS A 105 9.054 -13.715 3.179 1.00 0.00 H new ATOM 766 N SER A 106 13.704 -15.782 2.492 1.00 0.00 N ATOM 767 CA SER A 106 14.271 -16.858 1.686 1.00 0.00 C ATOM 768 C SER A 106 13.176 -17.793 1.182 1.00 0.00 C ATOM 769 O SER A 106 13.339 -19.013 1.181 1.00 0.00 O ATOM 770 CB SER A 106 15.297 -17.647 2.500 1.00 0.00 C ATOM 771 OG SER A 106 14.676 -18.344 3.566 1.00 0.00 O ATOM 0 H SER A 106 13.514 -16.036 3.461 1.00 0.00 H new ATOM 0 HA SER A 106 14.768 -16.411 0.825 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.814 -18.354 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 106 16.051 -16.968 2.896 1.00 0.00 H new ATOM 0 HG SER A 106 15.353 -18.842 4.070 1.00 0.00 H new ATOM 777 N ASN A 107 12.060 -17.212 0.754 1.00 0.00 N ATOM 778 CA ASN A 107 10.937 -17.993 0.248 1.00 0.00 C ATOM 779 C ASN A 107 10.852 -17.900 -1.272 1.00 0.00 C ATOM 780 O ASN A 107 10.826 -16.807 -1.839 1.00 0.00 O ATOM 781 CB ASN A 107 9.628 -17.508 0.874 1.00 0.00 C ATOM 782 CG ASN A 107 9.450 -18.003 2.297 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.391 -18.500 2.915 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.237 -17.868 2.822 1.00 0.00 N ATOM 0 H ASN A 107 11.909 -16.203 0.747 1.00 0.00 H new ATOM 0 HA ASN A 107 11.098 -19.035 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.606 -16.418 0.866 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.790 -17.848 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.056 -18.183 3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.487 -17.450 2.272 1.00 0.00 H new ATOM 791 N LYS A 108 10.807 -19.055 -1.929 1.00 0.00 N ATOM 792 CA LYS A 108 10.723 -19.106 -3.383 1.00 0.00 C ATOM 793 C LYS A 108 9.281 -18.933 -3.851 1.00 0.00 C ATOM 794 O LYS A 108 9.015 -18.220 -4.818 1.00 0.00 O ATOM 795 CB LYS A 108 11.282 -20.433 -3.901 1.00 0.00 C ATOM 796 CG LYS A 108 10.550 -21.651 -3.367 1.00 0.00 C ATOM 797 CD LYS A 108 11.417 -22.897 -3.433 1.00 0.00 C ATOM 798 CE LYS A 108 10.698 -24.108 -2.858 1.00 0.00 C ATOM 799 NZ LYS A 108 11.606 -25.282 -2.728 1.00 0.00 N ATOM 0 H LYS A 108 10.827 -19.969 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 108 11.318 -18.286 -3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.232 -20.438 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.335 -20.505 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.248 -21.471 -2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.638 -21.810 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.693 -23.095 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.343 -22.727 -2.883 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.288 -23.856 -1.880 1.00 0.00 H new ATOM 0 HE3 LYS A 108 9.856 -24.369 -3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.079 -26.087 -2.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.978 -25.538 -3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.396 -25.042 -2.096 1.00 0.00 H new ATOM 813 N GLU A 109 8.356 -19.587 -3.157 1.00 0.00 N ATOM 814 CA GLU A 109 6.942 -19.504 -3.502 1.00 0.00 C ATOM 815 C GLU A 109 6.166 -18.735 -2.436 1.00 0.00 C ATOM 816 O GLU A 109 5.102 -19.169 -1.992 1.00 0.00 O ATOM 817 CB GLU A 109 6.351 -20.906 -3.666 1.00 0.00 C ATOM 818 CG GLU A 109 6.787 -21.604 -4.943 1.00 0.00 C ATOM 819 CD GLU A 109 5.972 -21.179 -6.149 1.00 0.00 C ATOM 820 OE1 GLU A 109 4.815 -20.748 -5.962 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.492 -21.276 -7.280 1.00 0.00 O ATOM 0 H GLU A 109 8.560 -20.180 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 109 6.856 -18.968 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.642 -21.516 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.263 -20.837 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.840 -21.391 -5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.698 -22.682 -4.811 1.00 0.00 H new ATOM 828 N CYS A 110 6.706 -17.591 -2.029 1.00 0.00 N ATOM 829 CA CYS A 110 6.067 -16.761 -1.016 1.00 0.00 C ATOM 830 C CYS A 110 4.829 -16.070 -1.580 1.00 0.00 C ATOM 831 O CYS A 110 4.905 -15.272 -2.515 1.00 0.00 O ATOM 832 CB CYS A 110 7.052 -15.716 -0.487 1.00 0.00 C ATOM 833 SG CYS A 110 6.687 -15.136 1.201 1.00 0.00 S ATOM 0 H CYS A 110 7.586 -17.218 -2.386 1.00 0.00 H new ATOM 0 HA CYS A 110 5.758 -17.408 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.057 -16.138 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 110 7.053 -14.860 -1.161 1.00 0.00 H new ATOM 0 HG CYS A 110 7.800 -14.871 1.819 1.00 0.00 H new ATOM 838 N PRO A 111 3.661 -16.381 -0.999 1.00 0.00 N ATOM 839 CA PRO A 111 2.385 -15.801 -1.426 1.00 0.00 C ATOM 840 C PRO A 111 2.275 -14.321 -1.077 1.00 0.00 C ATOM 841 O PRO A 111 1.241 -13.694 -1.305 1.00 0.00 O ATOM 842 CB PRO A 111 1.348 -16.613 -0.646 1.00 0.00 C ATOM 843 CG PRO A 111 2.076 -17.101 0.559 1.00 0.00 C ATOM 844 CD PRO A 111 3.497 -17.324 0.121 1.00 0.00 C ATOM 0 HA PRO A 111 2.258 -15.848 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.491 -15.999 -0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.966 -17.443 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.027 -16.371 1.367 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.634 -18.024 0.935 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.203 -17.118 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.664 -18.354 -0.193 1.00 0.00 H new ATOM 852 N PHE A 112 3.349 -13.767 -0.523 1.00 0.00 N ATOM 853 CA PHE A 112 3.373 -12.360 -0.142 1.00 0.00 C ATOM 854 C PHE A 112 4.211 -11.545 -1.123 1.00 0.00 C ATOM 855 O PHE A 112 5.051 -12.089 -1.840 1.00 0.00 O ATOM 856 CB PHE A 112 3.930 -12.203 1.275 1.00 0.00 C ATOM 857 CG PHE A 112 2.906 -12.430 2.350 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.842 -11.557 2.508 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.008 -13.518 3.203 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.898 -11.764 3.497 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.067 -13.730 4.192 1.00 0.00 C ATOM 862 CZ PHE A 112 1.012 -12.852 4.340 1.00 0.00 C ATOM 0 H PHE A 112 4.214 -14.271 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 112 2.350 -11.985 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.752 -12.905 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.345 -11.201 1.385 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.749 -10.705 1.851 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.832 -14.207 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.073 -11.076 3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.157 -14.582 4.849 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.277 -13.016 5.114 1.00 0.00 H new ATOM 872 N LEU A 113 3.975 -10.238 -1.149 1.00 0.00 N ATOM 873 CA LEU A 113 4.706 -9.346 -2.043 1.00 0.00 C ATOM 874 C LEU A 113 6.111 -9.076 -1.512 1.00 0.00 C ATOM 875 O LEU A 113 6.298 -8.825 -0.321 1.00 0.00 O ATOM 876 CB LEU A 113 3.950 -8.027 -2.211 1.00 0.00 C ATOM 877 CG LEU A 113 2.565 -8.125 -2.852 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.520 -8.500 -1.813 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.199 -6.813 -3.531 1.00 0.00 C ATOM 0 H LEU A 113 3.283 -9.772 -0.562 1.00 0.00 H new ATOM 0 HA LEU A 113 4.791 -9.834 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.842 -7.565 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.561 -7.355 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 113 2.590 -8.909 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.541 -8.565 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.774 -9.464 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.494 -7.740 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.211 -6.900 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.192 -6.011 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.932 -6.587 -4.305 1.00 0.00 H new ATOM 891 N HIS A 114 7.095 -9.128 -2.404 1.00 0.00 N ATOM 892 CA HIS A 114 8.482 -8.886 -2.027 1.00 0.00 C ATOM 893 C HIS A 114 8.999 -7.595 -2.655 1.00 0.00 C ATOM 894 O HIS A 114 9.441 -7.587 -3.805 1.00 0.00 O ATOM 895 CB HIS A 114 9.362 -10.062 -2.452 1.00 0.00 C ATOM 896 CG HIS A 114 9.496 -11.120 -1.401 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.135 -12.322 -1.621 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.071 -11.151 -0.116 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.095 -13.048 -0.518 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.456 -12.360 0.410 1.00 0.00 N ATOM 0 H HIS A 114 6.957 -9.336 -3.393 1.00 0.00 H new ATOM 0 HA HIS A 114 8.525 -8.784 -0.943 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.946 -10.509 -3.355 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.353 -9.689 -2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.530 -10.371 0.399 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.514 -14.036 -0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.277 -12.675 1.363 1.00 0.00 H new ATOM 908 N ILE A 115 8.941 -6.507 -1.894 1.00 0.00 N ATOM 909 CA ILE A 115 9.404 -5.212 -2.377 1.00 0.00 C ATOM 910 C ILE A 115 10.708 -4.806 -1.698 1.00 0.00 C ATOM 911 O ILE A 115 10.870 -4.977 -0.490 1.00 0.00 O ATOM 912 CB ILE A 115 8.351 -4.114 -2.139 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.030 -4.488 -2.815 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.856 -2.775 -2.655 1.00 0.00 C ATOM 915 CD1 ILE A 115 5.884 -3.571 -2.450 1.00 0.00 C ATOM 0 H ILE A 115 8.578 -6.497 -0.941 1.00 0.00 H new ATOM 0 HA ILE A 115 9.573 -5.317 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 115 8.176 -4.025 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.167 -4.472 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.768 -5.510 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.101 -2.009 -2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.774 -2.506 -2.132 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.056 -2.849 -3.724 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.980 -3.896 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.720 -3.605 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.125 -2.551 -2.748 1.00 0.00 H new ATOM 927 N ASP A 116 11.634 -4.267 -2.483 1.00 0.00 N ATOM 928 CA ASP A 116 12.923 -3.833 -1.958 1.00 0.00 C ATOM 929 C ASP A 116 12.753 -2.654 -1.005 1.00 0.00 C ATOM 930 O ASP A 116 11.945 -1.754 -1.231 1.00 0.00 O ATOM 931 CB ASP A 116 13.861 -3.448 -3.103 1.00 0.00 C ATOM 932 CG ASP A 116 15.322 -3.632 -2.742 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.901 -2.712 -2.127 1.00 0.00 O ATOM 934 OD2 ASP A 116 15.887 -4.695 -3.075 1.00 0.00 O ATOM 0 H ASP A 116 11.516 -4.120 -3.485 1.00 0.00 H new ATOM 0 HA ASP A 116 13.360 -4.664 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.627 -4.053 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.686 -2.408 -3.378 1.00 0.00 H new