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 116:sc= 0.425 USER MOD Set 1.2: A 105 CYS SG : rot 146:sc= 0.74 USER MOD Set 1.3: A 107 ASN : amide:sc= 0.00213 K(o=-2,f=-3.4) USER MOD Set 1.4: A 110 CYS SG : rot 147:sc= 0.385 USER MOD Set 1.5: A 114 HIS : no HD1:sc= -3.51! C(o=-2!,f=-5.7!) USER MOD Set 2.1: A 88 TYR OH : rot -80:sc= -0.842 USER MOD Set 2.2: A 93 MET CE :methyl -165:sc= -0.59 (180deg=-1.41) USER MOD Set 3.1: A 68 CYS SG : rot 103:sc= 1.7 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.117 K(o=2.6,f=-1.1!) USER MOD Set 3.3: A 76 CYS SG : rot 180:sc= 0 USER MOD Set 3.4: A 82 CYS SG : rot 174:sc= 1.56 USER MOD Set 3.5: A 86 HIS : no HE2:sc= -0.534 K(o=2.6,f=0.65) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= -0.0155 (180deg=-0.204) USER MOD Single : A 81 GLN : amide:sc= -0.196 K(o=-0.2,f=-2.5!) USER MOD Single : A 90 MET CE :methyl 166:sc= -3.04 (180deg=-4.3) USER MOD Single : A 91 THR OG1 : rot -53:sc= 0.609 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 178:sc= -0.36 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 -9.815 2.228 3.006 1.00 0.00 N ATOM 67 CA GLU A 63 -10.784 1.382 2.319 1.00 0.00 C ATOM 68 C GLU A 63 -10.479 -0.095 2.551 1.00 0.00 C ATOM 69 O GLU A 63 -9.559 -0.442 3.292 1.00 0.00 O ATOM 70 CB GLU A 63 -10.786 1.685 0.819 1.00 0.00 C ATOM 71 CG GLU A 63 -9.397 1.727 0.205 1.00 0.00 C ATOM 72 CD GLU A 63 -9.431 1.802 -1.309 1.00 0.00 C ATOM 73 OE1 GLU A 63 -10.301 1.144 -1.916 1.00 0.00 O ATOM 74 OE2 GLU A 63 -8.587 2.519 -1.887 1.00 0.00 O ATOM 0 HA GLU A 63 -11.771 1.599 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.379 0.928 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.277 2.643 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.857 2.589 0.596 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.842 0.839 0.509 1.00 0.00 H new ATOM 81 N LYS A 64 -11.257 -0.961 1.912 1.00 0.00 N ATOM 82 CA LYS A 64 -11.071 -2.401 2.046 1.00 0.00 C ATOM 83 C LYS A 64 -9.837 -2.864 1.279 1.00 0.00 C ATOM 84 O LYS A 64 -9.542 -4.058 1.218 1.00 0.00 O ATOM 85 CB LYS A 64 -12.309 -3.145 1.539 1.00 0.00 C ATOM 86 CG LYS A 64 -13.620 -2.524 1.989 1.00 0.00 C ATOM 87 CD LYS A 64 -14.815 -3.286 1.442 1.00 0.00 C ATOM 88 CE LYS A 64 -14.986 -4.628 2.138 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.637 -5.633 1.252 1.00 0.00 N ATOM 0 H LYS A 64 -12.023 -0.691 1.295 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.926 -2.627 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.285 -3.172 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.269 -4.178 1.885 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.663 -2.512 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.665 -1.487 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.718 -2.690 1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.688 -3.444 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.011 -5.000 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.585 -4.496 3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.736 -6.534 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.577 -5.290 0.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.053 -5.778 0.404 1.00 0.00 H new ATOM 103 N THR A 65 -9.116 -1.912 0.696 1.00 0.00 N ATOM 104 CA THR A 65 -7.913 -2.222 -0.066 1.00 0.00 C ATOM 105 C THR A 65 -7.186 -3.426 0.521 1.00 0.00 C ATOM 106 O THR A 65 -6.594 -4.222 -0.208 1.00 0.00 O ATOM 107 CB THR A 65 -6.948 -1.022 -0.105 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.736 -1.390 -0.773 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.630 -0.537 1.301 1.00 0.00 C ATOM 0 H THR A 65 -9.345 -0.919 0.737 1.00 0.00 H new ATOM 0 HA THR A 65 -8.233 -2.454 -1.082 1.00 0.00 H new ATOM 0 HB THR A 65 -7.432 -0.212 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.128 -0.621 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.947 0.311 1.248 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.551 -0.230 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.164 -1.343 1.867 1.00 0.00 H new ATOM 117 N VAL A 66 -7.234 -3.554 1.843 1.00 0.00 N ATOM 118 CA VAL A 66 -6.580 -4.663 2.528 1.00 0.00 C ATOM 119 C VAL A 66 -7.535 -5.839 2.704 1.00 0.00 C ATOM 120 O VAL A 66 -8.726 -5.654 2.954 1.00 0.00 O ATOM 121 CB VAL A 66 -6.050 -4.235 3.910 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.686 -5.454 4.743 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.855 -3.307 3.757 1.00 0.00 C ATOM 0 H VAL A 66 -7.719 -2.904 2.461 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.740 -4.970 1.904 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.839 -3.692 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.314 -5.132 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.569 -6.077 4.881 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.914 -6.027 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.493 -3.014 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.061 -3.823 3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.153 -2.418 3.201 1.00 0.00 H new ATOM 133 N VAL A 67 -7.003 -7.050 2.572 1.00 0.00 N ATOM 134 CA VAL A 67 -7.807 -8.258 2.717 1.00 0.00 C ATOM 135 C VAL A 67 -7.944 -8.653 4.184 1.00 0.00 C ATOM 136 O VAL A 67 -6.953 -8.741 4.910 1.00 0.00 O ATOM 137 CB VAL A 67 -7.197 -9.436 1.935 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.950 -10.723 2.234 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.199 -9.141 0.442 1.00 0.00 C ATOM 0 H VAL A 67 -6.019 -7.221 2.365 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.793 -8.033 2.310 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.163 -9.566 2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.504 -11.544 1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.892 -10.939 3.301 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.994 -10.609 1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.765 -9.984 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.223 -8.984 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.611 -8.244 0.248 1.00 0.00 H new ATOM 149 N CYS A 68 -9.178 -8.891 4.613 1.00 0.00 N ATOM 150 CA CYS A 68 -9.447 -9.277 5.993 1.00 0.00 C ATOM 151 C CYS A 68 -8.481 -10.365 6.452 1.00 0.00 C ATOM 152 O CYS A 68 -8.124 -11.259 5.683 1.00 0.00 O ATOM 153 CB CYS A 68 -10.889 -9.767 6.136 1.00 0.00 C ATOM 154 SG CYS A 68 -11.498 -9.797 7.853 1.00 0.00 S ATOM 0 H CYS A 68 -10.009 -8.823 4.025 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.304 -8.399 6.623 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.540 -9.125 5.542 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -10.963 -10.771 5.718 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.281 -8.779 8.054 1.00 0.00 H new ATOM 159 N LYS A 69 -8.060 -10.283 7.709 1.00 0.00 N ATOM 160 CA LYS A 69 -7.136 -11.261 8.272 1.00 0.00 C ATOM 161 C LYS A 69 -7.893 -12.436 8.882 1.00 0.00 C ATOM 162 O LYS A 69 -7.354 -13.536 9.009 1.00 0.00 O ATOM 163 CB LYS A 69 -6.251 -10.604 9.334 1.00 0.00 C ATOM 164 CG LYS A 69 -7.011 -10.169 10.575 1.00 0.00 C ATOM 165 CD LYS A 69 -6.102 -9.462 11.566 1.00 0.00 C ATOM 166 CE LYS A 69 -5.842 -8.021 11.155 1.00 0.00 C ATOM 167 NZ LYS A 69 -6.893 -7.099 11.669 1.00 0.00 N ATOM 0 H LYS A 69 -8.344 -9.549 8.358 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.507 -11.637 7.465 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.467 -11.303 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.758 -9.736 8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.826 -9.504 10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.462 -11.040 11.051 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.556 -9.482 12.557 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.155 -9.997 11.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.868 -7.707 11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.801 -7.955 10.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.680 -6.127 11.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.819 -7.383 11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.915 -7.142 12.708 1.00 0.00 H new ATOM 181 N HIS A 70 -9.145 -12.197 9.258 1.00 0.00 N ATOM 182 CA HIS A 70 -9.977 -13.237 9.853 1.00 0.00 C ATOM 183 C HIS A 70 -10.495 -14.196 8.785 1.00 0.00 C ATOM 184 O HIS A 70 -10.278 -15.405 8.864 1.00 0.00 O ATOM 185 CB HIS A 70 -11.151 -12.612 10.607 1.00 0.00 C ATOM 186 CG HIS A 70 -10.746 -11.509 11.536 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.274 -10.290 11.097 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.748 -11.445 12.888 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.000 -9.525 12.138 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.280 -10.202 13.237 1.00 0.00 N ATOM 0 H HIS A 70 -9.606 -11.292 9.161 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.363 -13.801 10.555 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.870 -12.223 9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.660 -13.388 11.178 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.060 -12.226 13.566 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.613 -8.518 12.098 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.167 -9.857 14.190 1.00 0.00 H new ATOM 198 N TRP A 71 -11.182 -13.648 7.789 1.00 0.00 N ATOM 199 CA TRP A 71 -11.732 -14.454 6.705 1.00 0.00 C ATOM 200 C TRP A 71 -10.665 -15.366 6.109 1.00 0.00 C ATOM 201 O TRP A 71 -10.942 -16.512 5.754 1.00 0.00 O ATOM 202 CB TRP A 71 -12.316 -13.553 5.617 1.00 0.00 C ATOM 203 CG TRP A 71 -12.420 -14.225 4.281 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.423 -15.047 3.853 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.485 -14.134 3.201 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.168 -15.473 2.572 1.00 0.00 N ATOM 207 CE2 TRP A 71 -11.985 -14.926 2.149 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.275 -13.459 3.019 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.316 -15.060 0.935 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.612 -13.593 1.814 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.134 -14.388 0.785 1.00 0.00 C ATOM 0 H TRP A 71 -11.371 -12.649 7.710 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.527 -15.076 7.116 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.306 -13.218 5.925 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.695 -12.663 5.520 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.290 -15.322 4.436 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.763 -16.095 2.025 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.865 -12.843 3.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.716 -15.672 0.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.676 -13.076 1.663 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.592 -14.472 -0.145 1.00 0.00 H new ATOM 222 N LEU A 72 -9.445 -14.851 6.003 1.00 0.00 N ATOM 223 CA LEU A 72 -8.336 -15.619 5.450 1.00 0.00 C ATOM 224 C LEU A 72 -8.257 -17.001 6.091 1.00 0.00 C ATOM 225 O LEU A 72 -8.134 -18.012 5.399 1.00 0.00 O ATOM 226 CB LEU A 72 -7.017 -14.872 5.658 1.00 0.00 C ATOM 227 CG LEU A 72 -6.720 -13.747 4.667 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.550 -12.904 5.151 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.433 -14.315 3.285 1.00 0.00 C ATOM 0 H LEU A 72 -9.199 -13.904 6.293 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.511 -15.744 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.015 -14.453 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.202 -15.594 5.612 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.600 -13.107 4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.353 -12.108 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.793 -12.467 6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.665 -13.532 5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.224 -13.499 2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.569 -14.978 3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.300 -14.875 2.935 1.00 0.00 H new ATOM 241 N ARG A 73 -8.330 -17.037 7.418 1.00 0.00 N ATOM 242 CA ARG A 73 -8.269 -18.294 8.152 1.00 0.00 C ATOM 243 C ARG A 73 -9.669 -18.787 8.506 1.00 0.00 C ATOM 244 O ARG A 73 -9.842 -19.599 9.414 1.00 0.00 O ATOM 245 CB ARG A 73 -7.439 -18.125 9.427 1.00 0.00 C ATOM 246 CG ARG A 73 -5.944 -18.286 9.207 1.00 0.00 C ATOM 247 CD ARG A 73 -5.189 -18.338 10.526 1.00 0.00 C ATOM 248 NE ARG A 73 -3.775 -18.013 10.360 1.00 0.00 N ATOM 249 CZ ARG A 73 -2.891 -18.837 9.808 1.00 0.00 C ATOM 250 NH1 ARG A 73 -3.274 -20.028 9.370 1.00 0.00 N ATOM 251 NH2 ARG A 73 -1.622 -18.469 9.693 1.00 0.00 N ATOM 0 H ARG A 73 -8.431 -16.210 8.006 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.793 -19.036 7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.631 -17.138 9.847 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.770 -18.856 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.755 -19.199 8.642 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.572 -17.456 8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.641 -17.640 11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.284 -19.334 10.959 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.448 -17.103 10.686 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.249 -20.314 9.456 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.593 -20.659 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.324 -17.553 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.944 -19.102 9.269 1.00 0.00 H new ATOM 265 N GLY A 74 -10.666 -18.289 7.781 1.00 0.00 N ATOM 266 CA GLY A 74 -12.038 -18.690 8.033 1.00 0.00 C ATOM 267 C GLY A 74 -12.488 -18.361 9.443 1.00 0.00 C ATOM 268 O GLY A 74 -13.005 -19.224 10.154 1.00 0.00 O ATOM 0 H GLY A 74 -10.548 -17.615 7.024 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.695 -18.193 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.137 -19.762 7.864 1.00 0.00 H new ATOM 272 N LEU A 75 -12.290 -17.112 9.849 1.00 0.00 N ATOM 273 CA LEU A 75 -12.678 -16.672 11.185 1.00 0.00 C ATOM 274 C LEU A 75 -13.523 -15.404 11.117 1.00 0.00 C ATOM 275 O LEU A 75 -13.482 -14.568 12.020 1.00 0.00 O ATOM 276 CB LEU A 75 -11.436 -16.425 12.043 1.00 0.00 C ATOM 277 CG LEU A 75 -10.468 -17.601 12.178 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.098 -17.117 12.626 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.016 -18.634 13.152 1.00 0.00 C ATOM 0 H LEU A 75 -11.863 -16.386 9.273 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.276 -17.461 11.641 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.892 -15.579 11.624 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.761 -16.132 13.041 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.362 -18.073 11.201 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.423 -17.968 12.716 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.702 -16.416 11.891 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.186 -16.619 13.592 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.314 -19.464 13.236 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.153 -18.174 14.131 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.974 -19.005 12.788 1.00 0.00 H new ATOM 291 N CYS A 76 -14.291 -15.268 10.041 1.00 0.00 N ATOM 292 CA CYS A 76 -15.148 -14.104 9.854 1.00 0.00 C ATOM 293 C CYS A 76 -16.543 -14.523 9.400 1.00 0.00 C ATOM 294 O CYS A 76 -16.701 -15.483 8.645 1.00 0.00 O ATOM 295 CB CYS A 76 -14.531 -13.150 8.829 1.00 0.00 C ATOM 296 SG CYS A 76 -14.948 -11.397 9.100 1.00 0.00 S ATOM 0 H CYS A 76 -14.337 -15.951 9.285 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.236 -13.591 10.812 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.447 -13.262 8.851 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.862 -13.441 7.832 1.00 0.00 H new ATOM 0 HG CYS A 76 -14.379 -10.669 8.185 1.00 0.00 H new ATOM 301 N LYS A 77 -17.553 -13.795 9.864 1.00 0.00 N ATOM 302 CA LYS A 77 -18.936 -14.089 9.506 1.00 0.00 C ATOM 303 C LYS A 77 -19.640 -12.839 8.987 1.00 0.00 C ATOM 304 O LYS A 77 -20.869 -12.772 8.959 1.00 0.00 O ATOM 305 CB LYS A 77 -19.690 -14.647 10.715 1.00 0.00 C ATOM 306 CG LYS A 77 -19.205 -16.017 11.155 1.00 0.00 C ATOM 307 CD LYS A 77 -17.990 -15.913 12.062 1.00 0.00 C ATOM 308 CE LYS A 77 -18.384 -15.529 13.480 1.00 0.00 C ATOM 309 NZ LYS A 77 -17.251 -15.686 14.433 1.00 0.00 N ATOM 0 H LYS A 77 -17.440 -12.997 10.489 1.00 0.00 H new ATOM 0 HA LYS A 77 -18.929 -14.837 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.590 -13.951 11.548 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.752 -14.707 10.475 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.007 -16.537 11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.956 -16.615 10.278 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -17.462 -16.867 12.076 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -17.298 -15.171 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.729 -14.495 13.494 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.220 -16.148 13.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.560 -15.414 15.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -16.938 -16.678 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.462 -15.076 14.138 1.00 0.00 H new ATOM 323 N LYS A 78 -18.854 -11.851 8.574 1.00 0.00 N ATOM 324 CA LYS A 78 -19.401 -10.604 8.053 1.00 0.00 C ATOM 325 C LYS A 78 -19.635 -10.699 6.549 1.00 0.00 C ATOM 326 O LYS A 78 -20.689 -10.308 6.048 1.00 0.00 O ATOM 327 CB LYS A 78 -18.456 -9.440 8.360 1.00 0.00 C ATOM 328 CG LYS A 78 -18.256 -9.195 9.846 1.00 0.00 C ATOM 329 CD LYS A 78 -17.358 -7.995 10.097 1.00 0.00 C ATOM 330 CE LYS A 78 -17.188 -7.728 11.584 1.00 0.00 C ATOM 331 NZ LYS A 78 -18.473 -7.340 12.228 1.00 0.00 N ATOM 0 H LYS A 78 -17.835 -11.890 8.590 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.359 -10.425 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.488 -9.637 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.849 -8.533 7.900 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.223 -9.033 10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.818 -10.081 10.306 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.382 -8.168 9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.782 -7.115 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.793 -8.620 12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.455 -6.935 11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.284 -6.956 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.947 -6.617 11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.087 -8.175 12.309 1.00 0.00 H new ATOM 345 N GLY A 79 -18.645 -11.223 5.832 1.00 0.00 N ATOM 346 CA GLY A 79 -18.763 -11.361 4.393 1.00 0.00 C ATOM 347 C GLY A 79 -18.891 -10.024 3.690 1.00 0.00 C ATOM 348 O GLY A 79 -17.919 -9.511 3.135 1.00 0.00 O ATOM 0 H GLY A 79 -17.763 -11.554 6.223 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.889 -11.888 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.633 -11.975 4.160 1.00 0.00 H new ATOM 352 N ASP A 80 -20.093 -9.458 3.713 1.00 0.00 N ATOM 353 CA ASP A 80 -20.345 -8.173 3.072 1.00 0.00 C ATOM 354 C ASP A 80 -20.443 -7.059 4.110 1.00 0.00 C ATOM 355 O ASP A 80 -20.611 -5.889 3.765 1.00 0.00 O ATOM 356 CB ASP A 80 -21.632 -8.233 2.248 1.00 0.00 C ATOM 357 CG ASP A 80 -21.520 -9.178 1.068 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.535 -9.067 0.309 1.00 0.00 O ATOM 359 OD2 ASP A 80 -22.418 -10.031 0.905 1.00 0.00 O ATOM 0 H ASP A 80 -20.908 -9.869 4.169 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.508 -7.955 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -22.455 -8.551 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.876 -7.234 1.888 1.00 0.00 H new ATOM 364 N GLN A 81 -20.337 -7.431 5.382 1.00 0.00 N ATOM 365 CA GLN A 81 -20.415 -6.462 6.469 1.00 0.00 C ATOM 366 C GLN A 81 -19.023 -6.098 6.974 1.00 0.00 C ATOM 367 O GLN A 81 -18.854 -5.125 7.711 1.00 0.00 O ATOM 368 CB GLN A 81 -21.258 -7.021 7.618 1.00 0.00 C ATOM 369 CG GLN A 81 -22.547 -7.683 7.160 1.00 0.00 C ATOM 370 CD GLN A 81 -23.721 -6.724 7.143 1.00 0.00 C ATOM 371 OE1 GLN A 81 -23.637 -5.611 7.663 1.00 0.00 O ATOM 372 NE2 GLN A 81 -24.826 -7.151 6.542 1.00 0.00 N ATOM 0 H GLN A 81 -20.197 -8.395 5.685 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.890 -5.559 6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.664 -7.747 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.500 -6.212 8.307 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -22.405 -8.095 6.161 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.776 -8.520 7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -24.852 -8.081 6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -25.648 -6.549 6.499 1.00 0.00 H new ATOM 381 N CYS A 82 -18.029 -6.884 6.575 1.00 0.00 N ATOM 382 CA CYS A 82 -16.652 -6.645 6.987 1.00 0.00 C ATOM 383 C CYS A 82 -16.156 -5.297 6.472 1.00 0.00 C ATOM 384 O CYS A 82 -16.778 -4.686 5.604 1.00 0.00 O ATOM 385 CB CYS A 82 -15.743 -7.764 6.475 1.00 0.00 C ATOM 386 SG CYS A 82 -14.149 -7.886 7.350 1.00 0.00 S ATOM 0 H CYS A 82 -18.152 -7.693 5.966 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.623 -6.631 8.077 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.269 -8.715 6.565 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.552 -7.605 5.414 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.508 -8.939 6.939 1.00 0.00 H new ATOM 391 N GLU A 83 -15.031 -4.839 7.015 1.00 0.00 N ATOM 392 CA GLU A 83 -14.453 -3.564 6.610 1.00 0.00 C ATOM 393 C GLU A 83 -13.241 -3.778 5.708 1.00 0.00 C ATOM 394 O GLU A 83 -12.633 -2.820 5.229 1.00 0.00 O ATOM 395 CB GLU A 83 -14.048 -2.749 7.841 1.00 0.00 C ATOM 396 CG GLU A 83 -13.523 -3.597 8.987 1.00 0.00 C ATOM 397 CD GLU A 83 -12.590 -2.828 9.901 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.964 -1.856 9.428 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.484 -3.198 11.089 1.00 0.00 O ATOM 0 H GLU A 83 -14.503 -5.332 7.735 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.209 -3.013 6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.283 -2.028 7.553 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.909 -2.178 8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.364 -3.977 9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.998 -4.463 8.583 1.00 0.00 H new ATOM 406 N PHE A 84 -12.896 -5.040 5.480 1.00 0.00 N ATOM 407 CA PHE A 84 -11.756 -5.381 4.636 1.00 0.00 C ATOM 408 C PHE A 84 -12.190 -6.256 3.464 1.00 0.00 C ATOM 409 O PHE A 84 -13.288 -6.815 3.464 1.00 0.00 O ATOM 410 CB PHE A 84 -10.685 -6.103 5.457 1.00 0.00 C ATOM 411 CG PHE A 84 -10.083 -5.251 6.538 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.653 -5.204 7.799 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.947 -4.496 6.291 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.102 -4.421 8.796 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.391 -3.712 7.284 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.969 -3.674 8.538 1.00 0.00 C ATOM 0 H PHE A 84 -13.389 -5.844 5.868 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.338 -4.455 4.240 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.123 -6.993 5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.893 -6.442 4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.539 -5.786 8.006 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.492 -4.521 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.557 -4.393 9.775 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.505 -3.129 7.080 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.536 -3.062 9.315 1.00 0.00 H new ATOM 426 N LEU A 85 -11.321 -6.370 2.466 1.00 0.00 N ATOM 427 CA LEU A 85 -11.612 -7.177 1.286 1.00 0.00 C ATOM 428 C LEU A 85 -11.574 -8.665 1.620 1.00 0.00 C ATOM 429 O LEU A 85 -10.740 -9.114 2.406 1.00 0.00 O ATOM 430 CB LEU A 85 -10.611 -6.867 0.171 1.00 0.00 C ATOM 431 CG LEU A 85 -10.861 -5.580 -0.616 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.565 -5.064 -1.220 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.902 -5.813 -1.702 1.00 0.00 C ATOM 0 H LEU A 85 -10.409 -5.914 2.450 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.616 -6.926 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.614 -6.814 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.607 -7.702 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.244 -4.825 0.071 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.762 -4.148 -1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.849 -4.858 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.153 -5.816 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.068 -4.887 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.547 -6.583 -2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.838 -6.136 -1.246 1.00 0.00 H new ATOM 445 N HIS A 86 -12.481 -9.426 1.015 1.00 0.00 N ATOM 446 CA HIS A 86 -12.548 -10.864 1.246 1.00 0.00 C ATOM 447 C HIS A 86 -12.092 -11.635 0.010 1.00 0.00 C ATOM 448 O HIS A 86 -12.460 -12.793 -0.180 1.00 0.00 O ATOM 449 CB HIS A 86 -13.972 -11.275 1.621 1.00 0.00 C ATOM 450 CG HIS A 86 -14.271 -11.135 3.081 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.312 -11.793 3.703 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.658 -10.409 4.045 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.327 -11.476 4.986 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.333 -10.637 5.219 1.00 0.00 N ATOM 0 H HIS A 86 -13.179 -9.071 0.362 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.878 -11.106 2.071 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.678 -10.668 1.054 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.132 -12.311 1.323 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -15.968 -12.425 3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.798 -9.769 3.915 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.031 -11.840 5.719 1.00 0.00 H new ATOM 462 N GLU A 87 -11.290 -10.983 -0.825 1.00 0.00 N ATOM 463 CA GLU A 87 -10.785 -11.608 -2.042 1.00 0.00 C ATOM 464 C GLU A 87 -9.259 -11.614 -2.059 1.00 0.00 C ATOM 465 O GLU A 87 -8.620 -10.600 -1.780 1.00 0.00 O ATOM 466 CB GLU A 87 -11.316 -10.874 -3.276 1.00 0.00 C ATOM 467 CG GLU A 87 -10.763 -9.468 -3.433 1.00 0.00 C ATOM 468 CD GLU A 87 -11.436 -8.698 -4.552 1.00 0.00 C ATOM 469 OE1 GLU A 87 -11.243 -9.072 -5.728 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.155 -7.722 -4.253 1.00 0.00 O ATOM 0 H GLU A 87 -10.976 -10.023 -0.682 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.135 -12.640 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.071 -11.453 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.403 -10.823 -3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.890 -8.925 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.692 -9.523 -3.628 1.00 0.00 H new ATOM 477 N TYR A 88 -8.683 -12.765 -2.386 1.00 0.00 N ATOM 478 CA TYR A 88 -7.232 -12.906 -2.436 1.00 0.00 C ATOM 479 C TYR A 88 -6.648 -12.121 -3.607 1.00 0.00 C ATOM 480 O TYR A 88 -6.741 -12.544 -4.759 1.00 0.00 O ATOM 481 CB TYR A 88 -6.846 -14.381 -2.553 1.00 0.00 C ATOM 482 CG TYR A 88 -5.555 -14.727 -1.846 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.325 -14.478 -2.443 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.565 -15.304 -0.582 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.143 -14.793 -1.801 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.388 -15.621 0.068 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.179 -15.364 -0.546 1.00 0.00 C ATOM 488 OH TYR A 88 -2.005 -15.679 0.098 1.00 0.00 O ATOM 0 H TYR A 88 -9.198 -13.614 -2.620 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.821 -12.502 -1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.650 -14.992 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.754 -14.641 -3.607 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.293 -14.031 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.509 -15.508 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.196 -14.593 -2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.414 -16.067 1.051 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.658 -16.527 -0.250 1.00 0.00 H new ATOM 498 N ASP A 89 -6.047 -10.976 -3.302 1.00 0.00 N ATOM 499 CA ASP A 89 -5.446 -10.132 -4.327 1.00 0.00 C ATOM 500 C ASP A 89 -3.974 -9.873 -4.024 1.00 0.00 C ATOM 501 O ASP A 89 -3.580 -9.755 -2.864 1.00 0.00 O ATOM 502 CB ASP A 89 -6.199 -8.804 -4.431 1.00 0.00 C ATOM 503 CG ASP A 89 -6.301 -8.307 -5.859 1.00 0.00 C ATOM 504 OD1 ASP A 89 -6.652 -9.114 -6.746 1.00 0.00 O ATOM 505 OD2 ASP A 89 -6.031 -7.110 -6.091 1.00 0.00 O ATOM 0 H ASP A 89 -5.963 -10.611 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.515 -10.656 -5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.201 -8.924 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.693 -8.054 -3.824 1.00 0.00 H new ATOM 510 N MET A 90 -3.164 -9.787 -5.075 1.00 0.00 N ATOM 511 CA MET A 90 -1.735 -9.542 -4.920 1.00 0.00 C ATOM 512 C MET A 90 -1.464 -8.069 -4.632 1.00 0.00 C ATOM 513 O MET A 90 -0.392 -7.707 -4.144 1.00 0.00 O ATOM 514 CB MET A 90 -0.983 -9.974 -6.180 1.00 0.00 C ATOM 515 CG MET A 90 -0.491 -11.412 -6.131 1.00 0.00 C ATOM 516 SD MET A 90 1.192 -11.550 -5.498 1.00 0.00 S ATOM 517 CE MET A 90 0.893 -11.523 -3.732 1.00 0.00 C ATOM 0 H MET A 90 -3.473 -9.883 -6.042 1.00 0.00 H new ATOM 0 HA MET A 90 -1.380 -10.130 -4.074 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.637 -9.852 -7.043 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.130 -9.312 -6.329 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.160 -12.000 -5.503 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.535 -11.841 -7.132 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.791 -11.846 -3.206 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.635 -10.510 -3.422 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.070 -12.196 -3.492 1.00 0.00 H new ATOM 527 N THR A 91 -2.441 -7.221 -4.937 1.00 0.00 N ATOM 528 CA THR A 91 -2.307 -5.787 -4.713 1.00 0.00 C ATOM 529 C THR A 91 -3.122 -5.341 -3.504 1.00 0.00 C ATOM 530 O THR A 91 -2.670 -4.522 -2.705 1.00 0.00 O ATOM 531 CB THR A 91 -2.756 -4.981 -5.946 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.156 -5.178 -6.177 1.00 0.00 O ATOM 533 CG2 THR A 91 -1.970 -5.397 -7.180 1.00 0.00 C ATOM 0 H THR A 91 -3.335 -7.503 -5.340 1.00 0.00 H new ATOM 0 HA THR A 91 -1.250 -5.594 -4.527 1.00 0.00 H new ATOM 0 HB THR A 91 -2.565 -3.926 -5.752 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.348 -6.138 -6.223 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.305 -4.814 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 91 -0.908 -5.219 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.133 -6.457 -7.375 1.00 0.00 H new ATOM 541 N LYS A 92 -4.327 -5.886 -3.375 1.00 0.00 N ATOM 542 CA LYS A 92 -5.206 -5.547 -2.262 1.00 0.00 C ATOM 543 C LYS A 92 -4.796 -6.294 -0.998 1.00 0.00 C ATOM 544 O LYS A 92 -5.559 -6.368 -0.035 1.00 0.00 O ATOM 545 CB LYS A 92 -6.659 -5.875 -2.614 1.00 0.00 C ATOM 546 CG LYS A 92 -7.128 -5.244 -3.913 1.00 0.00 C ATOM 547 CD LYS A 92 -7.815 -3.911 -3.669 1.00 0.00 C ATOM 548 CE LYS A 92 -7.528 -2.922 -4.788 1.00 0.00 C ATOM 549 NZ LYS A 92 -8.501 -3.054 -5.908 1.00 0.00 N ATOM 0 H LYS A 92 -4.717 -6.565 -4.028 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.117 -4.477 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.772 -6.957 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.305 -5.539 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.276 -5.099 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.815 -5.921 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.891 -4.065 -3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.478 -3.495 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.564 -1.907 -4.393 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.518 -3.082 -5.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.271 -2.363 -6.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -8.449 -4.015 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -9.463 -2.876 -5.555 1.00 0.00 H new ATOM 563 N MET A 93 -3.587 -6.846 -1.007 1.00 0.00 N ATOM 564 CA MET A 93 -3.076 -7.586 0.141 1.00 0.00 C ATOM 565 C MET A 93 -1.797 -6.948 0.673 1.00 0.00 C ATOM 566 O MET A 93 -1.043 -6.307 -0.060 1.00 0.00 O ATOM 567 CB MET A 93 -2.813 -9.044 -0.241 1.00 0.00 C ATOM 568 CG MET A 93 -1.634 -9.221 -1.185 1.00 0.00 C ATOM 569 SD MET A 93 -1.332 -10.949 -1.600 1.00 0.00 S ATOM 570 CE MET A 93 -1.474 -11.716 0.012 1.00 0.00 C ATOM 0 H MET A 93 -2.943 -6.795 -1.796 1.00 0.00 H new ATOM 0 HA MET A 93 -3.830 -7.555 0.927 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.632 -9.622 0.665 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.707 -9.456 -0.708 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.818 -8.658 -2.100 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.740 -8.800 -0.726 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.058 -12.723 -0.026 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.927 -11.124 0.746 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.524 -11.768 0.299 1.00 0.00 H new ATOM 580 N PRO A 94 -1.544 -7.126 1.978 1.00 0.00 N ATOM 581 CA PRO A 94 -0.355 -6.575 2.636 1.00 0.00 C ATOM 582 C PRO A 94 0.928 -7.270 2.192 1.00 0.00 C ATOM 583 O PRO A 94 0.937 -8.476 1.946 1.00 0.00 O ATOM 584 CB PRO A 94 -0.619 -6.837 4.121 1.00 0.00 C ATOM 585 CG PRO A 94 -1.542 -8.006 4.141 1.00 0.00 C ATOM 586 CD PRO A 94 -2.398 -7.879 2.911 1.00 0.00 C ATOM 0 HA PRO A 94 -0.206 -5.523 2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.306 -7.054 4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.069 -5.969 4.602 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.985 -8.943 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.153 -8.005 5.044 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.670 -8.855 2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.328 -7.350 3.121 1.00 0.00 H new ATOM 594 N GLU A 95 2.008 -6.502 2.093 1.00 0.00 N ATOM 595 CA GLU A 95 3.296 -7.045 1.678 1.00 0.00 C ATOM 596 C GLU A 95 3.853 -7.993 2.737 1.00 0.00 C ATOM 597 O GLU A 95 3.426 -7.972 3.891 1.00 0.00 O ATOM 598 CB GLU A 95 4.292 -5.914 1.416 1.00 0.00 C ATOM 599 CG GLU A 95 3.770 -4.852 0.463 1.00 0.00 C ATOM 600 CD GLU A 95 2.862 -3.849 1.148 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.155 -3.474 2.302 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.858 -3.438 0.528 1.00 0.00 O ATOM 0 H GLU A 95 2.017 -5.502 2.294 1.00 0.00 H new ATOM 0 HA GLU A 95 3.144 -7.606 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.552 -5.443 2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.210 -6.337 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.613 -4.326 0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.226 -5.334 -0.349 1.00 0.00 H new ATOM 609 N CYS A 96 4.809 -8.824 2.334 1.00 0.00 N ATOM 610 CA CYS A 96 5.424 -9.780 3.246 1.00 0.00 C ATOM 611 C CYS A 96 5.920 -9.085 4.511 1.00 0.00 C ATOM 612 O CYS A 96 6.805 -8.231 4.457 1.00 0.00 O ATOM 613 CB CYS A 96 6.587 -10.498 2.557 1.00 0.00 C ATOM 614 SG CYS A 96 7.097 -12.043 3.376 1.00 0.00 S ATOM 0 H CYS A 96 5.174 -8.854 1.382 1.00 0.00 H new ATOM 0 HA CYS A 96 4.668 -10.513 3.528 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.304 -10.721 1.528 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.442 -9.823 2.513 1.00 0.00 H new ATOM 0 HG CYS A 96 6.876 -13.048 2.582 1.00 0.00 H new ATOM 619 N TYR A 97 5.342 -9.457 5.648 1.00 0.00 N ATOM 620 CA TYR A 97 5.723 -8.868 6.926 1.00 0.00 C ATOM 621 C TYR A 97 7.225 -8.997 7.160 1.00 0.00 C ATOM 622 O TYR A 97 7.840 -8.148 7.805 1.00 0.00 O ATOM 623 CB TYR A 97 4.958 -9.540 8.069 1.00 0.00 C ATOM 624 CG TYR A 97 5.723 -9.571 9.373 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.244 -8.407 9.923 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.925 -10.765 10.054 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.944 -8.431 11.114 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.622 -10.799 11.246 1.00 0.00 C ATOM 629 CZ TYR A 97 7.130 -9.629 11.772 1.00 0.00 C ATOM 630 OH TYR A 97 7.826 -9.658 12.958 1.00 0.00 O ATOM 0 H TYR A 97 4.609 -10.163 5.710 1.00 0.00 H new ATOM 0 HA TYR A 97 5.468 -7.809 6.899 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.015 -9.014 8.223 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.710 -10.561 7.778 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.100 -7.467 9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.530 -11.683 9.644 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.343 -7.517 11.528 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.768 -11.736 11.763 1.00 0.00 H new ATOM 0 HH TYR A 97 7.866 -10.579 13.291 1.00 0.00 H new ATOM 640 N PHE A 98 7.810 -10.067 6.630 1.00 0.00 N ATOM 641 CA PHE A 98 9.240 -10.309 6.780 1.00 0.00 C ATOM 642 C PHE A 98 10.046 -9.385 5.873 1.00 0.00 C ATOM 643 O PHE A 98 10.892 -8.621 6.340 1.00 0.00 O ATOM 644 CB PHE A 98 9.568 -11.769 6.461 1.00 0.00 C ATOM 645 CG PHE A 98 9.000 -12.742 7.455 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.556 -12.867 8.717 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.910 -13.532 7.126 1.00 0.00 C ATOM 648 CE1 PHE A 98 9.036 -13.761 9.634 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.385 -14.427 8.039 1.00 0.00 C ATOM 650 CZ PHE A 98 7.949 -14.543 9.294 1.00 0.00 C ATOM 0 H PHE A 98 7.316 -10.780 6.093 1.00 0.00 H new ATOM 0 HA PHE A 98 9.512 -10.101 7.815 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.186 -12.011 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.651 -11.890 6.424 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.406 -12.259 8.988 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.466 -13.447 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.479 -13.848 10.615 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.534 -15.035 7.771 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.541 -15.243 10.008 1.00 0.00 H new ATOM 660 N TYR A 99 9.779 -9.461 4.574 1.00 0.00 N ATOM 661 CA TYR A 99 10.481 -8.634 3.599 1.00 0.00 C ATOM 662 C TYR A 99 10.151 -7.158 3.798 1.00 0.00 C ATOM 663 O TYR A 99 10.854 -6.280 3.299 1.00 0.00 O ATOM 664 CB TYR A 99 10.115 -9.063 2.177 1.00 0.00 C ATOM 665 CG TYR A 99 11.220 -8.832 1.172 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.188 -9.801 0.938 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.297 -7.643 0.456 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.200 -9.593 0.021 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.305 -7.427 -0.464 1.00 0.00 C ATOM 670 CZ TYR A 99 13.254 -8.405 -0.678 1.00 0.00 C ATOM 671 OH TYR A 99 14.260 -8.194 -1.593 1.00 0.00 O ATOM 0 H TYR A 99 9.081 -10.087 4.171 1.00 0.00 H new ATOM 0 HA TYR A 99 11.552 -8.771 3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.855 -10.121 2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.226 -8.518 1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.149 -10.733 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.556 -6.875 0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.945 -10.356 -0.148 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.350 -6.498 -1.012 1.00 0.00 H new ATOM 0 HH TYR A 99 14.153 -7.308 -1.999 1.00 0.00 H new ATOM 681 N SER A 100 9.075 -6.894 4.532 1.00 0.00 N ATOM 682 CA SER A 100 8.647 -5.524 4.796 1.00 0.00 C ATOM 683 C SER A 100 9.255 -5.006 6.096 1.00 0.00 C ATOM 684 O SER A 100 9.384 -3.798 6.297 1.00 0.00 O ATOM 685 CB SER A 100 7.121 -5.449 4.867 1.00 0.00 C ATOM 686 OG SER A 100 6.646 -5.903 6.123 1.00 0.00 O ATOM 0 H SER A 100 8.484 -7.610 4.954 1.00 0.00 H new ATOM 0 HA SER A 100 8.996 -4.896 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.796 -4.422 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.687 -6.053 4.070 1.00 0.00 H new ATOM 0 HG SER A 100 5.671 -5.814 6.155 1.00 0.00 H new ATOM 692 N LYS A 101 9.627 -5.929 6.976 1.00 0.00 N ATOM 693 CA LYS A 101 10.223 -5.568 8.257 1.00 0.00 C ATOM 694 C LYS A 101 11.731 -5.794 8.239 1.00 0.00 C ATOM 695 O LYS A 101 12.511 -4.847 8.342 1.00 0.00 O ATOM 696 CB LYS A 101 9.588 -6.385 9.386 1.00 0.00 C ATOM 697 CG LYS A 101 9.668 -5.710 10.744 1.00 0.00 C ATOM 698 CD LYS A 101 11.058 -5.833 11.347 1.00 0.00 C ATOM 699 CE LYS A 101 11.012 -5.792 12.867 1.00 0.00 C ATOM 700 NZ LYS A 101 12.254 -5.207 13.444 1.00 0.00 N ATOM 0 H LYS A 101 9.526 -6.933 6.826 1.00 0.00 H new ATOM 0 HA LYS A 101 10.034 -4.509 8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.542 -6.572 9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.081 -7.356 9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.406 -4.657 10.644 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.937 -6.158 11.418 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.516 -6.767 11.021 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.688 -5.023 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.151 -5.206 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.873 -6.802 13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.183 -5.197 14.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.073 -5.781 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 12.374 -4.234 13.096 1.00 0.00 H new ATOM 714 N PHE A 102 12.135 -7.053 8.105 1.00 0.00 N ATOM 715 CA PHE A 102 13.551 -7.402 8.072 1.00 0.00 C ATOM 716 C PHE A 102 14.118 -7.242 6.665 1.00 0.00 C ATOM 717 O PHE A 102 15.304 -6.967 6.489 1.00 0.00 O ATOM 718 CB PHE A 102 13.754 -8.839 8.556 1.00 0.00 C ATOM 719 CG PHE A 102 13.026 -9.151 9.832 1.00 0.00 C ATOM 720 CD1 PHE A 102 13.559 -8.783 11.057 1.00 0.00 C ATOM 721 CD2 PHE A 102 11.809 -9.813 9.807 1.00 0.00 C ATOM 722 CE1 PHE A 102 12.891 -9.068 12.233 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.137 -10.100 10.979 1.00 0.00 C ATOM 724 CZ PHE A 102 11.679 -9.729 12.194 1.00 0.00 C ATOM 0 H PHE A 102 11.502 -7.848 8.018 1.00 0.00 H new ATOM 0 HA PHE A 102 14.083 -6.723 8.738 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.419 -9.526 7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.819 -9.017 8.702 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.507 -8.268 11.093 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.381 -10.108 8.860 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.316 -8.774 13.181 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.188 -10.614 10.945 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.156 -9.955 13.112 1.00 0.00 H new ATOM 734 N GLY A 103 13.260 -7.416 5.664 1.00 0.00 N ATOM 735 CA GLY A 103 13.693 -7.288 4.285 1.00 0.00 C ATOM 736 C GLY A 103 14.493 -8.486 3.815 1.00 0.00 C ATOM 737 O GLY A 103 15.411 -8.349 3.006 1.00 0.00 O ATOM 0 H GLY A 103 12.273 -7.643 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.821 -7.163 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.298 -6.387 4.179 1.00 0.00 H new ATOM 741 N GLU A 104 14.146 -9.664 4.324 1.00 0.00 N ATOM 742 CA GLU A 104 14.841 -10.891 3.952 1.00 0.00 C ATOM 743 C GLU A 104 13.886 -12.081 3.958 1.00 0.00 C ATOM 744 O GLU A 104 13.396 -12.493 5.010 1.00 0.00 O ATOM 745 CB GLU A 104 16.006 -11.153 4.909 1.00 0.00 C ATOM 746 CG GLU A 104 16.806 -9.907 5.250 1.00 0.00 C ATOM 747 CD GLU A 104 18.197 -10.229 5.760 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.354 -11.264 6.441 1.00 0.00 O ATOM 749 OE2 GLU A 104 19.129 -9.446 5.480 1.00 0.00 O ATOM 0 H GLU A 104 13.388 -9.795 4.994 1.00 0.00 H new ATOM 0 HA GLU A 104 15.231 -10.766 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.618 -11.589 5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.672 -11.892 4.463 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.885 -9.276 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.271 -9.331 6.005 1.00 0.00 H new ATOM 756 N CYS A 105 13.625 -12.629 2.776 1.00 0.00 N ATOM 757 CA CYS A 105 12.728 -13.770 2.642 1.00 0.00 C ATOM 758 C CYS A 105 13.272 -14.774 1.630 1.00 0.00 C ATOM 759 O CYS A 105 13.599 -14.415 0.499 1.00 0.00 O ATOM 760 CB CYS A 105 11.335 -13.304 2.216 1.00 0.00 C ATOM 761 SG CYS A 105 9.997 -14.460 2.654 1.00 0.00 S ATOM 0 H CYS A 105 14.023 -12.301 1.896 1.00 0.00 H new ATOM 0 HA CYS A 105 12.658 -14.261 3.613 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.131 -12.337 2.676 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.329 -13.151 1.137 1.00 0.00 H new ATOM 0 HG CYS A 105 8.919 -13.790 2.935 1.00 0.00 H new ATOM 766 N SER A 106 13.365 -16.033 2.045 1.00 0.00 N ATOM 767 CA SER A 106 13.873 -17.089 1.176 1.00 0.00 C ATOM 768 C SER A 106 12.734 -17.967 0.666 1.00 0.00 C ATOM 769 O SER A 106 12.864 -19.187 0.587 1.00 0.00 O ATOM 770 CB SER A 106 14.897 -17.945 1.923 1.00 0.00 C ATOM 771 OG SER A 106 14.315 -18.559 3.060 1.00 0.00 O ATOM 0 H SER A 106 13.095 -16.347 2.977 1.00 0.00 H new ATOM 0 HA SER A 106 14.358 -16.620 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.293 -18.710 1.255 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.739 -17.325 2.231 1.00 0.00 H new ATOM 0 HG SER A 106 14.989 -19.102 3.520 1.00 0.00 H new ATOM 777 N ASN A 107 11.617 -17.335 0.321 1.00 0.00 N ATOM 778 CA ASN A 107 10.454 -18.057 -0.181 1.00 0.00 C ATOM 779 C ASN A 107 10.339 -17.919 -1.696 1.00 0.00 C ATOM 780 O ASN A 107 10.311 -16.809 -2.229 1.00 0.00 O ATOM 781 CB ASN A 107 9.178 -17.540 0.487 1.00 0.00 C ATOM 782 CG ASN A 107 8.981 -18.112 1.878 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.926 -18.596 2.502 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.749 -18.059 2.371 1.00 0.00 N ATOM 0 H ASN A 107 11.493 -16.324 0.380 1.00 0.00 H new ATOM 0 HA ASN A 107 10.581 -19.112 0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.217 -16.452 0.547 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.318 -17.794 -0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.556 -18.428 3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 107 6.996 -17.649 1.819 1.00 0.00 H new ATOM 791 N LYS A 108 10.274 -19.053 -2.385 1.00 0.00 N ATOM 792 CA LYS A 108 10.161 -19.060 -3.839 1.00 0.00 C ATOM 793 C LYS A 108 8.725 -18.781 -4.274 1.00 0.00 C ATOM 794 O LYS A 108 8.490 -18.054 -5.238 1.00 0.00 O ATOM 795 CB LYS A 108 10.623 -20.406 -4.400 1.00 0.00 C ATOM 796 CG LYS A 108 10.554 -20.489 -5.915 1.00 0.00 C ATOM 797 CD LYS A 108 11.782 -19.874 -6.564 1.00 0.00 C ATOM 798 CE LYS A 108 13.022 -20.723 -6.327 1.00 0.00 C ATOM 799 NZ LYS A 108 14.017 -20.570 -7.424 1.00 0.00 N ATOM 0 H LYS A 108 10.298 -19.980 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 108 10.801 -18.271 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.649 -20.591 -4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.009 -21.198 -3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.464 -21.532 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.659 -19.976 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.613 -19.766 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.943 -18.873 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.480 -20.440 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.734 -21.771 -6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.847 -21.164 -7.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.588 -20.864 -8.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 14.312 -19.575 -7.489 1.00 0.00 H new ATOM 813 N GLU A 109 7.770 -19.364 -3.556 1.00 0.00 N ATOM 814 CA GLU A 109 6.359 -19.177 -3.869 1.00 0.00 C ATOM 815 C GLU A 109 5.652 -18.406 -2.757 1.00 0.00 C ATOM 816 O GLU A 109 4.572 -18.791 -2.309 1.00 0.00 O ATOM 817 CB GLU A 109 5.676 -20.530 -4.079 1.00 0.00 C ATOM 818 CG GLU A 109 6.214 -21.304 -5.271 1.00 0.00 C ATOM 819 CD GLU A 109 5.684 -20.782 -6.593 1.00 0.00 C ATOM 820 OE1 GLU A 109 4.448 -20.745 -6.764 1.00 0.00 O ATOM 821 OE2 GLU A 109 6.507 -20.410 -7.455 1.00 0.00 O ATOM 0 H GLU A 109 7.948 -19.969 -2.754 1.00 0.00 H new ATOM 0 HA GLU A 109 6.292 -18.597 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 109 5.799 -21.133 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.606 -20.371 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.303 -21.250 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.948 -22.356 -5.167 1.00 0.00 H new ATOM 828 N CYS A 110 6.271 -17.316 -2.316 1.00 0.00 N ATOM 829 CA CYS A 110 5.704 -16.490 -1.257 1.00 0.00 C ATOM 830 C CYS A 110 4.483 -15.724 -1.759 1.00 0.00 C ATOM 831 O CYS A 110 4.569 -14.894 -2.664 1.00 0.00 O ATOM 832 CB CYS A 110 6.753 -15.510 -0.728 1.00 0.00 C ATOM 833 SG CYS A 110 6.518 -15.037 1.015 1.00 0.00 S ATOM 0 H CYS A 110 7.166 -16.984 -2.676 1.00 0.00 H new ATOM 0 HA CYS A 110 5.390 -17.148 -0.446 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.741 -15.956 -0.842 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.736 -14.610 -1.343 1.00 0.00 H new ATOM 0 HG CYS A 110 7.677 -14.844 1.572 1.00 0.00 H new ATOM 838 N PRO A 111 3.318 -16.007 -1.157 1.00 0.00 N ATOM 839 CA PRO A 111 2.058 -15.355 -1.525 1.00 0.00 C ATOM 840 C PRO A 111 2.025 -13.886 -1.117 1.00 0.00 C ATOM 841 O PRO A 111 1.014 -13.205 -1.294 1.00 0.00 O ATOM 842 CB PRO A 111 1.007 -16.150 -0.748 1.00 0.00 C ATOM 843 CG PRO A 111 1.744 -16.717 0.416 1.00 0.00 C ATOM 844 CD PRO A 111 3.142 -16.985 -0.070 1.00 0.00 C ATOM 0 HA PRO A 111 1.899 -15.354 -2.603 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.187 -15.510 -0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.572 -16.938 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.749 -16.018 1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.271 -17.633 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.877 -16.842 0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.254 -18.008 -0.428 1.00 0.00 H new ATOM 852 N PHE A 112 3.135 -13.403 -0.571 1.00 0.00 N ATOM 853 CA PHE A 112 3.232 -12.014 -0.136 1.00 0.00 C ATOM 854 C PHE A 112 4.085 -11.200 -1.105 1.00 0.00 C ATOM 855 O PHE A 112 4.877 -11.753 -1.869 1.00 0.00 O ATOM 856 CB PHE A 112 3.826 -11.938 1.272 1.00 0.00 C ATOM 857 CG PHE A 112 2.818 -12.168 2.361 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.669 -11.397 2.434 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.019 -13.156 3.311 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.739 -11.607 3.435 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.093 -13.371 4.314 1.00 0.00 C ATOM 862 CZ PHE A 112 0.952 -12.595 4.377 1.00 0.00 C ATOM 0 H PHE A 112 3.981 -13.952 -0.419 1.00 0.00 H new ATOM 0 HA PHE A 112 2.227 -11.593 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.622 -12.677 1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.284 -10.959 1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.498 -10.623 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.910 -13.765 3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.153 -11.000 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.261 -14.145 5.048 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.228 -12.760 5.161 1.00 0.00 H new ATOM 872 N LEU A 113 3.917 -9.883 -1.068 1.00 0.00 N ATOM 873 CA LEU A 113 4.671 -8.990 -1.942 1.00 0.00 C ATOM 874 C LEU A 113 6.098 -8.809 -1.436 1.00 0.00 C ATOM 875 O LEU A 113 6.326 -8.633 -0.238 1.00 0.00 O ATOM 876 CB LEU A 113 3.975 -7.631 -2.039 1.00 0.00 C ATOM 877 CG LEU A 113 2.568 -7.639 -2.637 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.543 -8.033 -1.585 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.232 -6.277 -3.228 1.00 0.00 C ATOM 0 H LEU A 113 3.265 -9.409 -0.442 1.00 0.00 H new ATOM 0 HA LEU A 113 4.712 -9.442 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.921 -7.201 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.599 -6.968 -2.638 1.00 0.00 H new ATOM 0 HG LEU A 113 2.539 -8.378 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.548 -8.033 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.773 -9.030 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.573 -7.319 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.227 -6.301 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.280 -5.519 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.948 -6.034 -4.013 1.00 0.00 H new ATOM 891 N HIS A 114 7.057 -8.851 -2.356 1.00 0.00 N ATOM 892 CA HIS A 114 8.463 -8.688 -2.003 1.00 0.00 C ATOM 893 C HIS A 114 9.021 -7.391 -2.579 1.00 0.00 C ATOM 894 O HIS A 114 9.444 -7.345 -3.735 1.00 0.00 O ATOM 895 CB HIS A 114 9.279 -9.878 -2.509 1.00 0.00 C ATOM 896 CG HIS A 114 9.393 -10.992 -1.515 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.968 -12.210 -1.812 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.003 -11.068 -0.221 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.925 -12.987 -0.745 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.345 -12.318 0.235 1.00 0.00 N ATOM 0 H HIS A 114 6.886 -8.996 -3.351 1.00 0.00 H new ATOM 0 HA HIS A 114 8.536 -8.643 -0.916 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.820 -10.261 -3.421 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.279 -9.536 -2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.514 -10.291 0.347 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.300 -13.998 -0.684 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.178 -12.672 1.177 1.00 0.00 H new ATOM 908 N ILE A 115 9.018 -6.339 -1.768 1.00 0.00 N ATOM 909 CA ILE A 115 9.525 -5.041 -2.198 1.00 0.00 C ATOM 910 C ILE A 115 10.829 -4.697 -1.487 1.00 0.00 C ATOM 911 O ILE A 115 10.970 -4.920 -0.284 1.00 0.00 O ATOM 912 CB ILE A 115 8.500 -3.922 -1.937 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.180 -4.234 -2.644 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.050 -2.581 -2.399 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.071 -3.260 -2.312 1.00 0.00 C ATOM 0 H ILE A 115 8.670 -6.359 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 115 9.707 -5.113 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 115 8.312 -3.866 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.345 -4.231 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.861 -5.241 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.314 -1.800 -2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.967 -2.357 -1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.264 -2.624 -3.467 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.165 -3.543 -2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.878 -3.280 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.369 -2.254 -2.608 1.00 0.00 H new ATOM 927 N ASP A 116 11.779 -4.150 -2.237 1.00 0.00 N ATOM 928 CA ASP A 116 13.072 -3.772 -1.679 1.00 0.00 C ATOM 929 C ASP A 116 12.906 -2.711 -0.594 1.00 0.00 C ATOM 930 O ASP A 116 12.091 -1.795 -0.708 1.00 0.00 O ATOM 931 CB ASP A 116 13.995 -3.251 -2.781 1.00 0.00 C ATOM 932 CG ASP A 116 15.461 -3.451 -2.451 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.955 -4.589 -2.603 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.116 -2.470 -2.040 1.00 0.00 O ATOM 0 H ASP A 116 11.678 -3.958 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 116 13.520 -4.659 -1.230 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.763 -3.761 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.803 -2.190 -2.940 1.00 0.00 H new