USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=14 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 -165:sc= 0.0248 USER MOD Set 1.2: A 105 CYS SG : rot -42:sc= 0.249 USER MOD Set 1.3: A 107 ASN : amide:sc= 0.0569 X(o=-3.6,f=-3.4) USER MOD Set 1.4: A 110 CYS SG : rot -154:sc= -0.0662 USER MOD Set 1.5: A 114 HIS : no HD1:sc= -3.85! C(o=-3.6!,f=-4.9!) USER MOD Set 2.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 93 MET CE :methyl -140:sc= -0.21 (180deg=-0.936) USER MOD Set 3.1: A 68 CYS SG : rot 127:sc= 0.747 USER MOD Set 3.2: A 70 HIS : no HD1:sc= 0.013 K(o=1.6,f=-0.88) USER MOD Set 3.3: A 76 CYS SG : rot -160:sc= -0.165 USER MOD Set 3.4: A 82 CYS SG : rot -120:sc= 0.734 USER MOD Set 3.5: A 86 HIS : no HD1:sc= 0.263 K(o=1.6,f=-3.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.82 X(o=-2.8,f=-2.9) USER MOD Single : A 90 MET CE :methyl 180:sc= -5.02! (180deg=-5.02!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.427 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 160:sc= -1.05 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 -10.135 2.428 3.932 1.00 0.00 N ATOM 67 CA GLU A 63 -10.850 1.565 2.999 1.00 0.00 C ATOM 68 C GLU A 63 -10.506 0.098 3.242 1.00 0.00 C ATOM 69 O GLU A 63 -9.755 -0.231 4.160 1.00 0.00 O ATOM 70 CB GLU A 63 -10.513 1.947 1.556 1.00 0.00 C ATOM 71 CG GLU A 63 -9.021 1.999 1.272 1.00 0.00 C ATOM 72 CD GLU A 63 -8.674 2.958 0.151 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.540 3.194 -0.718 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.537 3.474 0.141 1.00 0.00 O ATOM 0 HA GLU A 63 -11.919 1.702 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.978 1.228 0.881 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.950 2.921 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.493 2.298 2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.669 1.000 1.013 1.00 0.00 H new ATOM 81 N LYS A 64 -11.062 -0.779 2.413 1.00 0.00 N ATOM 82 CA LYS A 64 -10.815 -2.211 2.536 1.00 0.00 C ATOM 83 C LYS A 64 -9.523 -2.603 1.827 1.00 0.00 C ATOM 84 O LYS A 64 -9.296 -3.777 1.531 1.00 0.00 O ATOM 85 CB LYS A 64 -11.989 -3.003 1.955 1.00 0.00 C ATOM 86 CG LYS A 64 -13.347 -2.511 2.426 1.00 0.00 C ATOM 87 CD LYS A 64 -14.478 -3.182 1.664 1.00 0.00 C ATOM 88 CE LYS A 64 -14.585 -4.659 2.014 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.583 -5.360 1.159 1.00 0.00 N ATOM 0 H LYS A 64 -11.687 -0.523 1.648 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.713 -2.448 3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.950 -2.949 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.878 -4.053 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.457 -2.710 3.492 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.409 -1.431 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.420 -2.683 1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.312 -3.072 0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.610 -5.132 1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.866 -4.765 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.627 -6.364 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.519 -4.925 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.301 -5.281 0.161 1.00 0.00 H new ATOM 103 N THR A 65 -8.678 -1.613 1.556 1.00 0.00 N ATOM 104 CA THR A 65 -7.408 -1.854 0.882 1.00 0.00 C ATOM 105 C THR A 65 -6.773 -3.156 1.357 1.00 0.00 C ATOM 106 O THR A 65 -6.144 -3.872 0.578 1.00 0.00 O ATOM 107 CB THR A 65 -6.419 -0.698 1.117 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.080 -1.141 0.871 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.531 -0.169 2.539 1.00 0.00 C ATOM 0 H THR A 65 -8.850 -0.636 1.793 1.00 0.00 H new ATOM 0 HA THR A 65 -7.624 -1.926 -0.184 1.00 0.00 H new ATOM 0 HB THR A 65 -6.667 0.108 0.427 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.457 -0.399 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.822 0.647 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.543 0.195 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.308 -0.970 3.244 1.00 0.00 H new ATOM 117 N VAL A 66 -6.941 -3.457 2.641 1.00 0.00 N ATOM 118 CA VAL A 66 -6.385 -4.675 3.219 1.00 0.00 C ATOM 119 C VAL A 66 -7.420 -5.793 3.247 1.00 0.00 C ATOM 120 O VAL A 66 -8.598 -5.557 3.518 1.00 0.00 O ATOM 121 CB VAL A 66 -5.869 -4.431 4.651 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.691 -5.751 5.386 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.566 -3.648 4.621 1.00 0.00 C ATOM 0 H VAL A 66 -7.457 -2.875 3.300 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.550 -4.974 2.585 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.609 -3.839 5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.326 -5.559 6.395 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.648 -6.270 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.971 -6.371 4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.216 -3.485 5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.816 -4.211 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.731 -2.686 4.135 1.00 0.00 H new ATOM 133 N VAL A 67 -6.974 -7.013 2.965 1.00 0.00 N ATOM 134 CA VAL A 67 -7.862 -8.169 2.959 1.00 0.00 C ATOM 135 C VAL A 67 -8.016 -8.751 4.360 1.00 0.00 C ATOM 136 O VAL A 67 -7.028 -9.055 5.030 1.00 0.00 O ATOM 137 CB VAL A 67 -7.345 -9.269 2.013 1.00 0.00 C ATOM 138 CG1 VAL A 67 -8.098 -10.570 2.244 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.465 -8.824 0.563 1.00 0.00 C ATOM 0 H VAL A 67 -6.003 -7.226 2.738 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.832 -7.821 2.604 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.291 -9.444 2.230 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.719 -11.335 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.955 -10.895 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.160 -10.414 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.095 -9.613 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.510 -8.620 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.876 -7.920 0.410 1.00 0.00 H new ATOM 149 N CYS A 68 -9.261 -8.904 4.797 1.00 0.00 N ATOM 150 CA CYS A 68 -9.547 -9.450 6.119 1.00 0.00 C ATOM 151 C CYS A 68 -8.624 -10.624 6.433 1.00 0.00 C ATOM 152 O CYS A 68 -8.360 -11.468 5.577 1.00 0.00 O ATOM 153 CB CYS A 68 -11.007 -9.898 6.204 1.00 0.00 C ATOM 154 SG CYS A 68 -11.544 -10.368 7.880 1.00 0.00 S ATOM 0 H CYS A 68 -10.089 -8.657 4.255 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.372 -8.665 6.855 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.645 -9.092 5.842 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.155 -10.746 5.535 1.00 0.00 H new ATOM 0 HG CYS A 68 -12.623 -9.713 8.190 1.00 0.00 H new ATOM 159 N LYS A 69 -8.136 -10.672 7.669 1.00 0.00 N ATOM 160 CA LYS A 69 -7.245 -11.742 8.099 1.00 0.00 C ATOM 161 C LYS A 69 -8.038 -12.925 8.645 1.00 0.00 C ATOM 162 O LYS A 69 -7.562 -14.060 8.639 1.00 0.00 O ATOM 163 CB LYS A 69 -6.276 -11.228 9.166 1.00 0.00 C ATOM 164 CG LYS A 69 -6.960 -10.798 10.452 1.00 0.00 C ATOM 165 CD LYS A 69 -5.949 -10.463 11.537 1.00 0.00 C ATOM 166 CE LYS A 69 -5.270 -9.128 11.272 1.00 0.00 C ATOM 167 NZ LYS A 69 -3.995 -8.994 12.030 1.00 0.00 N ATOM 0 H LYS A 69 -8.343 -9.981 8.390 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.677 -12.078 7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.551 -12.010 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.718 -10.384 8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.588 -9.929 10.258 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.617 -11.595 10.800 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.449 -10.432 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.197 -11.250 11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.070 -9.027 10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.944 -8.317 11.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.563 -8.071 11.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.188 -9.064 13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.342 -9.753 11.748 1.00 0.00 H new ATOM 181 N HIS A 70 -9.251 -12.652 9.115 1.00 0.00 N ATOM 182 CA HIS A 70 -10.112 -13.694 9.662 1.00 0.00 C ATOM 183 C HIS A 70 -10.703 -14.552 8.547 1.00 0.00 C ATOM 184 O HIS A 70 -10.554 -15.773 8.545 1.00 0.00 O ATOM 185 CB HIS A 70 -11.234 -13.074 10.494 1.00 0.00 C ATOM 186 CG HIS A 70 -10.752 -12.076 11.501 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.246 -10.841 11.155 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.701 -12.136 12.853 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.904 -10.184 12.249 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.170 -10.948 13.293 1.00 0.00 N ATOM 0 H HIS A 70 -9.660 -11.718 9.128 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.505 -14.332 10.304 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.945 -12.589 9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.773 -13.868 11.011 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.019 -12.963 13.470 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.479 -9.192 12.284 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.007 -10.697 14.268 1.00 0.00 H new ATOM 198 N TRP A 71 -11.375 -13.903 7.603 1.00 0.00 N ATOM 199 CA TRP A 71 -11.990 -14.607 6.483 1.00 0.00 C ATOM 200 C TRP A 71 -10.980 -15.515 5.790 1.00 0.00 C ATOM 201 O TRP A 71 -11.318 -16.617 5.354 1.00 0.00 O ATOM 202 CB TRP A 71 -12.566 -13.606 5.479 1.00 0.00 C ATOM 203 CG TRP A 71 -12.641 -14.143 4.082 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.661 -14.869 3.537 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.656 -13.996 3.053 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.370 -15.183 2.231 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.145 -14.659 1.911 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.409 -13.369 2.986 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.430 -14.711 0.717 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.700 -13.422 1.801 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.212 -14.088 0.680 1.00 0.00 C ATOM 0 H TRP A 71 -11.508 -12.892 7.590 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.798 -15.225 6.875 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.565 -13.312 5.802 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.952 -12.705 5.482 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.564 -15.155 4.056 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.968 -15.719 1.602 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.007 -12.852 3.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.822 -15.224 -0.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.735 -12.942 1.738 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.634 -14.110 -0.232 1.00 0.00 H new ATOM 222 N LEU A 72 -9.740 -15.049 5.693 1.00 0.00 N ATOM 223 CA LEU A 72 -8.680 -15.820 5.053 1.00 0.00 C ATOM 224 C LEU A 72 -8.634 -17.242 5.603 1.00 0.00 C ATOM 225 O LEU A 72 -8.529 -18.208 4.846 1.00 0.00 O ATOM 226 CB LEU A 72 -7.328 -15.137 5.261 1.00 0.00 C ATOM 227 CG LEU A 72 -7.024 -13.954 4.340 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.928 -13.083 4.934 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.627 -14.445 2.956 1.00 0.00 C ATOM 0 H LEU A 72 -9.444 -14.140 6.050 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.894 -15.869 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.273 -14.791 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.543 -15.883 5.132 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.927 -13.351 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.725 -12.247 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.251 -12.703 5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.021 -13.675 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.414 -13.590 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.738 -15.071 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.444 -15.026 2.528 1.00 0.00 H new ATOM 241 N ARG A 73 -8.716 -17.363 6.924 1.00 0.00 N ATOM 242 CA ARG A 73 -8.685 -18.668 7.575 1.00 0.00 C ATOM 243 C ARG A 73 -10.097 -19.153 7.887 1.00 0.00 C ATOM 244 O ARG A 73 -10.282 -20.146 8.590 1.00 0.00 O ATOM 245 CB ARG A 73 -7.861 -18.599 8.862 1.00 0.00 C ATOM 246 CG ARG A 73 -6.364 -18.733 8.635 1.00 0.00 C ATOM 247 CD ARG A 73 -5.991 -20.141 8.198 1.00 0.00 C ATOM 248 NE ARG A 73 -4.546 -20.313 8.080 1.00 0.00 N ATOM 249 CZ ARG A 73 -3.976 -21.260 7.343 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.725 -22.116 6.662 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.653 -21.352 7.287 1.00 0.00 N ATOM 0 H ARG A 73 -8.804 -16.574 7.564 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.219 -19.377 6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.061 -17.651 9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.190 -19.389 9.537 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.045 -18.019 7.876 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.832 -18.483 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.384 -20.860 8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.461 -20.360 7.239 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.941 -19.671 8.592 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.742 -22.049 6.703 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.284 -22.842 6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.074 -20.695 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.216 -22.079 6.721 1.00 0.00 H new ATOM 265 N GLY A 74 -11.091 -18.445 7.360 1.00 0.00 N ATOM 266 CA GLY A 74 -12.474 -18.819 7.594 1.00 0.00 C ATOM 267 C GLY A 74 -12.904 -18.579 9.028 1.00 0.00 C ATOM 268 O GLY A 74 -13.517 -19.446 9.653 1.00 0.00 O ATOM 0 H GLY A 74 -10.964 -17.619 6.775 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.119 -18.251 6.924 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.609 -19.872 7.349 1.00 0.00 H new ATOM 272 N LEU A 75 -12.583 -17.401 9.551 1.00 0.00 N ATOM 273 CA LEU A 75 -12.939 -17.050 10.922 1.00 0.00 C ATOM 274 C LEU A 75 -13.746 -15.757 10.960 1.00 0.00 C ATOM 275 O LEU A 75 -13.691 -15.007 11.935 1.00 0.00 O ATOM 276 CB LEU A 75 -11.678 -16.904 11.775 1.00 0.00 C ATOM 277 CG LEU A 75 -10.660 -18.040 11.669 1.00 0.00 C ATOM 278 CD1 LEU A 75 -9.360 -17.658 12.360 1.00 0.00 C ATOM 279 CD2 LEU A 75 -11.226 -19.321 12.265 1.00 0.00 C ATOM 0 H LEU A 75 -12.077 -16.673 9.047 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.554 -17.852 11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.183 -15.973 11.499 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.979 -16.809 12.818 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.449 -18.216 10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.648 -18.479 12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.946 -16.767 11.889 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.554 -17.454 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -10.488 -20.119 12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -11.466 -19.158 13.316 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -12.130 -19.605 11.726 1.00 0.00 H new ATOM 291 N CYS A 76 -14.496 -15.502 9.894 1.00 0.00 N ATOM 292 CA CYS A 76 -15.317 -14.300 9.805 1.00 0.00 C ATOM 293 C CYS A 76 -16.718 -14.634 9.300 1.00 0.00 C ATOM 294 O CYS A 76 -16.897 -15.541 8.487 1.00 0.00 O ATOM 295 CB CYS A 76 -14.659 -13.275 8.879 1.00 0.00 C ATOM 296 SG CYS A 76 -15.115 -11.548 9.238 1.00 0.00 S ATOM 0 H CYS A 76 -14.553 -16.112 9.079 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.403 -13.874 10.805 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.576 -13.377 8.953 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.931 -13.505 7.849 1.00 0.00 H new ATOM 0 HG CYS A 76 -14.874 -10.810 8.195 1.00 0.00 H new ATOM 301 N LYS A 77 -17.708 -13.894 9.787 1.00 0.00 N ATOM 302 CA LYS A 77 -19.093 -14.109 9.385 1.00 0.00 C ATOM 303 C LYS A 77 -19.763 -12.789 9.014 1.00 0.00 C ATOM 304 O LYS A 77 -20.941 -12.576 9.302 1.00 0.00 O ATOM 305 CB LYS A 77 -19.873 -14.790 10.512 1.00 0.00 C ATOM 306 CG LYS A 77 -20.905 -15.790 10.019 1.00 0.00 C ATOM 307 CD LYS A 77 -22.259 -15.134 9.804 1.00 0.00 C ATOM 308 CE LYS A 77 -22.785 -14.508 11.086 1.00 0.00 C ATOM 309 NZ LYS A 77 -24.271 -14.403 11.083 1.00 0.00 N ATOM 0 H LYS A 77 -17.577 -13.140 10.461 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.094 -14.756 8.508 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.171 -15.300 11.172 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -20.374 -14.027 11.108 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -20.563 -16.236 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.003 -16.600 10.742 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.175 -14.369 9.032 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -22.970 -15.876 9.442 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.465 -15.105 11.940 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.351 -13.516 11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.590 -13.971 11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -24.576 -13.812 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -24.686 -15.352 10.990 1.00 0.00 H new ATOM 323 N LYS A 78 -19.005 -11.906 8.372 1.00 0.00 N ATOM 324 CA LYS A 78 -19.525 -10.608 7.959 1.00 0.00 C ATOM 325 C LYS A 78 -19.785 -10.580 6.456 1.00 0.00 C ATOM 326 O LYS A 78 -20.774 -10.009 5.998 1.00 0.00 O ATOM 327 CB LYS A 78 -18.543 -9.498 8.338 1.00 0.00 C ATOM 328 CG LYS A 78 -18.145 -9.512 9.804 1.00 0.00 C ATOM 329 CD LYS A 78 -17.269 -8.322 10.155 1.00 0.00 C ATOM 330 CE LYS A 78 -17.211 -8.097 11.659 1.00 0.00 C ATOM 331 NZ LYS A 78 -15.911 -7.507 12.082 1.00 0.00 N ATOM 0 H LYS A 78 -18.028 -12.066 8.126 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.469 -10.441 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.646 -9.593 7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.990 -8.533 8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.041 -9.501 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.612 -10.436 10.029 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.262 -8.484 9.771 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -17.656 -7.427 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.024 -7.436 11.959 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.364 -9.045 12.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -15.911 -7.369 13.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.136 -8.149 11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -15.776 -6.590 11.610 1.00 0.00 H new ATOM 345 N GLY A 79 -18.891 -11.202 5.693 1.00 0.00 N ATOM 346 CA GLY A 79 -19.043 -11.237 4.250 1.00 0.00 C ATOM 347 C GLY A 79 -18.827 -9.880 3.611 1.00 0.00 C ATOM 348 O GLY A 79 -17.702 -9.382 3.561 1.00 0.00 O ATOM 0 H GLY A 79 -18.064 -11.682 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.333 -11.950 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.041 -11.597 4.002 1.00 0.00 H new ATOM 352 N ASP A 80 -19.907 -9.280 3.121 1.00 0.00 N ATOM 353 CA ASP A 80 -19.830 -7.972 2.482 1.00 0.00 C ATOM 354 C ASP A 80 -19.962 -6.855 3.512 1.00 0.00 C ATOM 355 O ASP A 80 -19.846 -5.675 3.180 1.00 0.00 O ATOM 356 CB ASP A 80 -20.923 -7.835 1.420 1.00 0.00 C ATOM 357 CG ASP A 80 -20.672 -8.718 0.214 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.446 -9.931 0.404 1.00 0.00 O ATOM 359 OD2 ASP A 80 -20.702 -8.196 -0.921 1.00 0.00 O ATOM 0 H ASP A 80 -20.845 -9.679 3.154 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.855 -7.886 2.003 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.887 -8.091 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -20.985 -6.795 1.099 1.00 0.00 H new ATOM 364 N GLN A 81 -20.206 -7.235 4.762 1.00 0.00 N ATOM 365 CA GLN A 81 -20.355 -6.265 5.840 1.00 0.00 C ATOM 366 C GLN A 81 -19.007 -5.955 6.484 1.00 0.00 C ATOM 367 O GLN A 81 -18.820 -4.893 7.078 1.00 0.00 O ATOM 368 CB GLN A 81 -21.330 -6.789 6.895 1.00 0.00 C ATOM 369 CG GLN A 81 -22.771 -6.850 6.415 1.00 0.00 C ATOM 370 CD GLN A 81 -22.961 -7.817 5.263 1.00 0.00 C ATOM 371 OE1 GLN A 81 -22.963 -7.419 4.098 1.00 0.00 O ATOM 372 NE2 GLN A 81 -23.123 -9.095 5.583 1.00 0.00 N ATOM 0 H GLN A 81 -20.305 -8.208 5.053 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.753 -5.344 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.016 -7.786 7.204 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.276 -6.150 7.777 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.414 -7.147 7.244 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -23.089 -5.855 6.105 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -23.114 -9.381 6.562 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -23.256 -9.791 4.850 1.00 0.00 H new ATOM 381 N CYS A 82 -18.071 -6.890 6.364 1.00 0.00 N ATOM 382 CA CYS A 82 -16.741 -6.719 6.935 1.00 0.00 C ATOM 383 C CYS A 82 -16.157 -5.361 6.557 1.00 0.00 C ATOM 384 O CYS A 82 -16.652 -4.693 5.650 1.00 0.00 O ATOM 385 CB CYS A 82 -15.810 -7.836 6.457 1.00 0.00 C ATOM 386 SG CYS A 82 -14.331 -8.066 7.495 1.00 0.00 S ATOM 0 H CYS A 82 -18.209 -7.775 5.876 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.830 -6.768 8.020 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.368 -8.772 6.426 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.494 -7.620 5.436 1.00 0.00 H new ATOM 0 HG CYS A 82 -13.264 -7.880 6.777 1.00 0.00 H new ATOM 391 N GLU A 83 -15.103 -4.959 7.261 1.00 0.00 N ATOM 392 CA GLU A 83 -14.453 -3.680 7.000 1.00 0.00 C ATOM 393 C GLU A 83 -13.225 -3.865 6.113 1.00 0.00 C ATOM 394 O GLU A 83 -12.550 -2.898 5.759 1.00 0.00 O ATOM 395 CB GLU A 83 -14.050 -3.010 8.315 1.00 0.00 C ATOM 396 CG GLU A 83 -13.695 -3.995 9.416 1.00 0.00 C ATOM 397 CD GLU A 83 -12.741 -3.407 10.438 1.00 0.00 C ATOM 398 OE1 GLU A 83 -12.014 -2.453 10.091 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.722 -3.902 11.585 1.00 0.00 O ATOM 0 H GLU A 83 -14.682 -5.500 8.016 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.164 -3.040 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.196 -2.357 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.869 -2.376 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.607 -4.317 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.245 -4.883 8.973 1.00 0.00 H new ATOM 406 N PHE A 84 -12.942 -5.114 5.758 1.00 0.00 N ATOM 407 CA PHE A 84 -11.794 -5.427 4.914 1.00 0.00 C ATOM 408 C PHE A 84 -12.225 -6.220 3.683 1.00 0.00 C ATOM 409 O PHE A 84 -13.371 -6.659 3.583 1.00 0.00 O ATOM 410 CB PHE A 84 -10.752 -6.219 5.706 1.00 0.00 C ATOM 411 CG PHE A 84 -10.107 -5.428 6.807 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.685 -5.367 8.065 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.923 -4.743 6.584 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.093 -4.640 9.081 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.327 -4.014 7.596 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.913 -3.962 8.846 1.00 0.00 C ATOM 0 H PHE A 84 -13.491 -5.925 6.041 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.351 -4.488 4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.227 -7.102 6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.980 -6.572 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.609 -5.894 8.254 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.461 -4.779 5.609 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.553 -4.602 10.057 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.404 -3.485 7.410 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.449 -3.392 9.638 1.00 0.00 H new ATOM 426 N LEU A 85 -11.298 -6.398 2.748 1.00 0.00 N ATOM 427 CA LEU A 85 -11.580 -7.137 1.522 1.00 0.00 C ATOM 428 C LEU A 85 -11.602 -8.639 1.785 1.00 0.00 C ATOM 429 O LEU A 85 -10.707 -9.179 2.436 1.00 0.00 O ATOM 430 CB LEU A 85 -10.536 -6.810 0.454 1.00 0.00 C ATOM 431 CG LEU A 85 -10.704 -5.468 -0.260 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.372 -4.990 -0.819 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.740 -5.581 -1.370 1.00 0.00 C ATOM 0 H LEU A 85 -10.345 -6.041 2.815 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.564 -6.835 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.551 -6.830 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.551 -7.602 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.055 -4.734 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.511 -4.034 -1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.658 -4.870 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.992 -5.723 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.847 -4.617 -1.867 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.417 -6.329 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.699 -5.878 -0.944 1.00 0.00 H new ATOM 445 N HIS A 86 -12.629 -9.310 1.273 1.00 0.00 N ATOM 446 CA HIS A 86 -12.766 -10.751 1.450 1.00 0.00 C ATOM 447 C HIS A 86 -12.367 -11.495 0.179 1.00 0.00 C ATOM 448 O HIS A 86 -12.774 -12.636 -0.037 1.00 0.00 O ATOM 449 CB HIS A 86 -14.204 -11.105 1.832 1.00 0.00 C ATOM 450 CG HIS A 86 -14.475 -11.005 3.301 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.524 -11.653 3.919 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.826 -10.329 4.278 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.510 -11.378 5.211 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.488 -10.577 5.455 1.00 0.00 N ATOM 0 H HIS A 86 -13.379 -8.879 0.732 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.098 -11.058 2.255 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.886 -10.443 1.299 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.420 -12.120 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.950 -9.710 4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.214 -11.745 5.943 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.232 -10.204 6.369 1.00 0.00 H new ATOM 462 N GLU A 87 -11.568 -10.840 -0.658 1.00 0.00 N ATOM 463 CA GLU A 87 -11.116 -11.440 -1.908 1.00 0.00 C ATOM 464 C GLU A 87 -9.594 -11.390 -2.016 1.00 0.00 C ATOM 465 O GLU A 87 -8.986 -10.328 -1.878 1.00 0.00 O ATOM 466 CB GLU A 87 -11.747 -10.721 -3.102 1.00 0.00 C ATOM 467 CG GLU A 87 -11.394 -9.246 -3.180 1.00 0.00 C ATOM 468 CD GLU A 87 -12.452 -8.430 -3.898 1.00 0.00 C ATOM 469 OE1 GLU A 87 -13.464 -8.076 -3.259 1.00 0.00 O ATOM 470 OE2 GLU A 87 -12.266 -8.146 -5.100 1.00 0.00 O ATOM 0 H GLU A 87 -11.221 -9.895 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.430 -12.484 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.427 -11.212 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.831 -10.824 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.261 -8.854 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.440 -9.131 -3.695 1.00 0.00 H new ATOM 477 N TYR A 88 -8.986 -12.545 -2.263 1.00 0.00 N ATOM 478 CA TYR A 88 -7.536 -12.634 -2.387 1.00 0.00 C ATOM 479 C TYR A 88 -7.037 -11.793 -3.558 1.00 0.00 C ATOM 480 O TYR A 88 -7.170 -12.183 -4.718 1.00 0.00 O ATOM 481 CB TYR A 88 -7.108 -14.091 -2.571 1.00 0.00 C ATOM 482 CG TYR A 88 -5.773 -14.414 -1.939 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.587 -14.214 -2.634 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.698 -14.919 -0.647 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.364 -14.509 -2.061 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.480 -15.215 -0.065 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.316 -15.008 -0.777 1.00 0.00 C ATOM 488 OH TYR A 88 -2.101 -15.303 -0.201 1.00 0.00 O ATOM 0 H TYR A 88 -9.475 -13.432 -2.381 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.093 -12.245 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.870 -14.742 -2.143 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.060 -14.315 -3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.621 -13.821 -3.639 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.607 -15.083 -0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.451 -14.349 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.439 -15.606 0.941 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.243 -15.644 0.707 1.00 0.00 H new ATOM 498 N ASP A 89 -6.461 -10.638 -3.245 1.00 0.00 N ATOM 499 CA ASP A 89 -5.939 -9.742 -4.269 1.00 0.00 C ATOM 500 C ASP A 89 -4.477 -9.398 -3.998 1.00 0.00 C ATOM 501 O ASP A 89 -4.172 -8.588 -3.123 1.00 0.00 O ATOM 502 CB ASP A 89 -6.774 -8.461 -4.331 1.00 0.00 C ATOM 503 CG ASP A 89 -8.018 -8.622 -5.182 1.00 0.00 C ATOM 504 OD1 ASP A 89 -8.010 -9.481 -6.088 1.00 0.00 O ATOM 505 OD2 ASP A 89 -9.000 -7.890 -4.941 1.00 0.00 O ATOM 0 H ASP A 89 -6.344 -10.300 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.001 -10.254 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.063 -8.170 -3.321 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.164 -7.652 -4.733 1.00 0.00 H new ATOM 510 N MET A 90 -3.578 -10.020 -4.753 1.00 0.00 N ATOM 511 CA MET A 90 -2.149 -9.780 -4.593 1.00 0.00 C ATOM 512 C MET A 90 -1.854 -8.285 -4.517 1.00 0.00 C ATOM 513 O MET A 90 -0.805 -7.872 -4.021 1.00 0.00 O ATOM 514 CB MET A 90 -1.372 -10.406 -5.753 1.00 0.00 C ATOM 515 CG MET A 90 -1.167 -11.905 -5.607 1.00 0.00 C ATOM 516 SD MET A 90 0.532 -12.336 -5.183 1.00 0.00 S ATOM 517 CE MET A 90 0.505 -12.107 -3.406 1.00 0.00 C ATOM 0 H MET A 90 -3.814 -10.694 -5.482 1.00 0.00 H new ATOM 0 HA MET A 90 -1.830 -10.244 -3.659 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.904 -10.209 -6.684 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.399 -9.920 -5.832 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.837 -12.286 -4.837 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.441 -12.398 -6.540 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.488 -12.336 -2.995 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.247 -11.073 -3.176 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.237 -12.773 -2.965 1.00 0.00 H new ATOM 527 N THR A 91 -2.786 -7.476 -5.013 1.00 0.00 N ATOM 528 CA THR A 91 -2.625 -6.028 -5.002 1.00 0.00 C ATOM 529 C THR A 91 -3.255 -5.414 -3.757 1.00 0.00 C ATOM 530 O THR A 91 -2.660 -4.555 -3.106 1.00 0.00 O ATOM 531 CB THR A 91 -3.254 -5.384 -6.252 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.673 -5.571 -6.239 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.670 -5.985 -7.522 1.00 0.00 C ATOM 0 H THR A 91 -3.660 -7.800 -5.427 1.00 0.00 H new ATOM 0 HA THR A 91 -1.553 -5.829 -4.999 1.00 0.00 H new ATOM 0 HB THR A 91 -3.029 -4.318 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.065 -5.157 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.129 -5.515 -8.392 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.594 -5.815 -7.544 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.868 -7.057 -7.542 1.00 0.00 H new ATOM 541 N LYS A 92 -4.463 -5.860 -3.430 1.00 0.00 N ATOM 542 CA LYS A 92 -5.174 -5.356 -2.260 1.00 0.00 C ATOM 543 C LYS A 92 -4.796 -6.146 -1.012 1.00 0.00 C ATOM 544 O LYS A 92 -5.572 -6.230 -0.060 1.00 0.00 O ATOM 545 CB LYS A 92 -6.686 -5.431 -2.486 1.00 0.00 C ATOM 546 CG LYS A 92 -7.120 -4.953 -3.860 1.00 0.00 C ATOM 547 CD LYS A 92 -7.479 -3.476 -3.849 1.00 0.00 C ATOM 548 CE LYS A 92 -6.285 -2.615 -3.466 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.514 -1.178 -3.778 1.00 0.00 N ATOM 0 H LYS A 92 -4.971 -6.570 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.886 -4.315 -2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.015 -6.461 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.189 -4.832 -1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.318 -5.128 -4.577 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.979 -5.535 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.841 -3.181 -4.834 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.294 -3.304 -3.146 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.083 -2.727 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.400 -2.965 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.677 -0.625 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.681 -1.067 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.343 -0.836 -3.252 1.00 0.00 H new ATOM 563 N MET A 93 -3.599 -6.723 -1.021 1.00 0.00 N ATOM 564 CA MET A 93 -3.117 -7.503 0.113 1.00 0.00 C ATOM 565 C MET A 93 -1.831 -6.908 0.675 1.00 0.00 C ATOM 566 O MET A 93 -1.042 -6.287 -0.037 1.00 0.00 O ATOM 567 CB MET A 93 -2.881 -8.956 -0.305 1.00 0.00 C ATOM 568 CG MET A 93 -1.462 -9.230 -0.776 1.00 0.00 C ATOM 569 SD MET A 93 -1.186 -10.966 -1.177 1.00 0.00 S ATOM 570 CE MET A 93 -1.492 -11.734 0.412 1.00 0.00 C ATOM 0 H MET A 93 -2.945 -6.665 -1.801 1.00 0.00 H new ATOM 0 HA MET A 93 -3.879 -7.475 0.892 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.108 -9.609 0.538 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.576 -9.213 -1.104 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.251 -8.620 -1.654 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.760 -8.924 0.000 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.767 -12.531 0.577 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.397 -10.988 1.201 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.499 -12.151 0.427 1.00 0.00 H new ATOM 580 N PRO A 94 -1.612 -7.101 1.985 1.00 0.00 N ATOM 581 CA PRO A 94 -0.421 -6.591 2.672 1.00 0.00 C ATOM 582 C PRO A 94 0.849 -7.322 2.252 1.00 0.00 C ATOM 583 O PRO A 94 0.871 -8.550 2.175 1.00 0.00 O ATOM 584 CB PRO A 94 -0.725 -6.852 4.149 1.00 0.00 C ATOM 585 CG PRO A 94 -1.685 -7.991 4.143 1.00 0.00 C ATOM 586 CD PRO A 94 -2.509 -7.832 2.895 1.00 0.00 C ATOM 0 HA PRO A 94 -0.234 -5.543 2.440 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.181 -7.101 4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.158 -5.972 4.626 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.158 -8.945 4.144 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.316 -7.974 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.802 -8.797 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.427 -7.276 3.087 1.00 0.00 H new ATOM 594 N GLU A 95 1.903 -6.560 1.980 1.00 0.00 N ATOM 595 CA GLU A 95 3.177 -7.138 1.568 1.00 0.00 C ATOM 596 C GLU A 95 3.755 -8.022 2.669 1.00 0.00 C ATOM 597 O GLU A 95 3.217 -8.090 3.774 1.00 0.00 O ATOM 598 CB GLU A 95 4.173 -6.032 1.211 1.00 0.00 C ATOM 599 CG GLU A 95 3.661 -5.071 0.152 1.00 0.00 C ATOM 600 CD GLU A 95 2.734 -4.015 0.721 1.00 0.00 C ATOM 601 OE1 GLU A 95 2.862 -3.697 1.922 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.880 -3.505 -0.035 1.00 0.00 O ATOM 0 H GLU A 95 1.900 -5.542 2.037 1.00 0.00 H new ATOM 0 HA GLU A 95 2.999 -7.755 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.417 -5.470 2.112 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.098 -6.488 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.508 -4.583 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.135 -5.633 -0.619 1.00 0.00 H new ATOM 609 N CYS A 96 4.856 -8.700 2.358 1.00 0.00 N ATOM 610 CA CYS A 96 5.508 -9.581 3.319 1.00 0.00 C ATOM 611 C CYS A 96 6.059 -8.787 4.499 1.00 0.00 C ATOM 612 O CYS A 96 6.959 -7.961 4.339 1.00 0.00 O ATOM 613 CB CYS A 96 6.638 -10.361 2.642 1.00 0.00 C ATOM 614 SG CYS A 96 7.010 -11.962 3.427 1.00 0.00 S ATOM 0 H CYS A 96 5.315 -8.656 1.448 1.00 0.00 H new ATOM 0 HA CYS A 96 4.764 -10.284 3.693 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.372 -10.533 1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.540 -9.749 2.645 1.00 0.00 H new ATOM 0 HG CYS A 96 8.154 -12.402 2.994 1.00 0.00 H new ATOM 619 N TYR A 97 5.514 -9.042 5.683 1.00 0.00 N ATOM 620 CA TYR A 97 5.949 -8.350 6.890 1.00 0.00 C ATOM 621 C TYR A 97 7.460 -8.462 7.068 1.00 0.00 C ATOM 622 O TYR A 97 8.106 -7.550 7.584 1.00 0.00 O ATOM 623 CB TYR A 97 5.236 -8.922 8.117 1.00 0.00 C ATOM 624 CG TYR A 97 6.050 -8.829 9.388 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.546 -7.609 9.830 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.322 -9.961 10.146 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.290 -7.519 10.991 1.00 0.00 C ATOM 628 CE2 TYR A 97 7.064 -9.880 11.308 1.00 0.00 C ATOM 629 CZ TYR A 97 7.546 -8.657 11.727 1.00 0.00 C ATOM 630 OH TYR A 97 8.287 -8.573 12.883 1.00 0.00 O ATOM 0 H TYR A 97 4.770 -9.723 5.833 1.00 0.00 H new ATOM 0 HA TYR A 97 5.691 -7.296 6.786 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.294 -8.392 8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.989 -9.967 7.929 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.347 -6.716 9.257 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.947 -10.920 9.821 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.669 -6.563 11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.266 -10.770 11.886 1.00 0.00 H new ATOM 0 HH TYR A 97 8.374 -9.464 13.281 1.00 0.00 H new ATOM 640 N PHE A 98 8.018 -9.587 6.635 1.00 0.00 N ATOM 641 CA PHE A 98 9.453 -9.821 6.746 1.00 0.00 C ATOM 642 C PHE A 98 10.223 -8.964 5.745 1.00 0.00 C ATOM 643 O PHE A 98 10.999 -8.088 6.129 1.00 0.00 O ATOM 644 CB PHE A 98 9.770 -11.300 6.517 1.00 0.00 C ATOM 645 CG PHE A 98 9.252 -12.200 7.603 1.00 0.00 C ATOM 646 CD1 PHE A 98 7.977 -12.737 7.526 1.00 0.00 C ATOM 647 CD2 PHE A 98 10.040 -12.508 8.700 1.00 0.00 C ATOM 648 CE1 PHE A 98 7.498 -13.564 8.524 1.00 0.00 C ATOM 649 CE2 PHE A 98 9.566 -13.334 9.701 1.00 0.00 C ATOM 650 CZ PHE A 98 8.293 -13.864 9.612 1.00 0.00 C ATOM 0 H PHE A 98 7.498 -10.351 6.204 1.00 0.00 H new ATOM 0 HA PHE A 98 9.764 -9.542 7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.343 -11.611 5.564 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.850 -11.424 6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 98 7.351 -12.507 6.677 1.00 0.00 H new ATOM 0 HD2 PHE A 98 11.036 -12.098 8.774 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.502 -13.976 8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 98 10.190 -13.565 10.552 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.921 -14.512 10.392 1.00 0.00 H new ATOM 660 N TYR A 99 10.002 -9.223 4.461 1.00 0.00 N ATOM 661 CA TYR A 99 10.676 -8.478 3.404 1.00 0.00 C ATOM 662 C TYR A 99 10.330 -6.994 3.478 1.00 0.00 C ATOM 663 O TYR A 99 11.023 -6.154 2.905 1.00 0.00 O ATOM 664 CB TYR A 99 10.291 -9.035 2.033 1.00 0.00 C ATOM 665 CG TYR A 99 11.380 -8.895 0.994 1.00 0.00 C ATOM 666 CD1 TYR A 99 11.506 -7.733 0.243 1.00 0.00 C ATOM 667 CD2 TYR A 99 12.285 -9.924 0.766 1.00 0.00 C ATOM 668 CE1 TYR A 99 12.500 -7.601 -0.708 1.00 0.00 C ATOM 669 CE2 TYR A 99 13.283 -9.801 -0.182 1.00 0.00 C ATOM 670 CZ TYR A 99 13.386 -8.638 -0.916 1.00 0.00 C ATOM 671 OH TYR A 99 14.378 -8.510 -1.861 1.00 0.00 O ATOM 0 H TYR A 99 9.361 -9.943 4.127 1.00 0.00 H new ATOM 0 HA TYR A 99 11.751 -8.590 3.545 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.034 -10.089 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.396 -8.522 1.680 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.815 -6.919 0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.207 -10.836 1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.583 -6.692 -1.285 1.00 0.00 H new ATOM 0 HE2 TYR A 99 13.978 -10.611 -0.347 1.00 0.00 H new ATOM 0 HH TYR A 99 14.917 -9.328 -1.882 1.00 0.00 H new ATOM 681 N SER A 100 9.252 -6.679 4.189 1.00 0.00 N ATOM 682 CA SER A 100 8.810 -5.297 4.337 1.00 0.00 C ATOM 683 C SER A 100 9.462 -4.645 5.552 1.00 0.00 C ATOM 684 O SER A 100 9.593 -3.422 5.621 1.00 0.00 O ATOM 685 CB SER A 100 7.287 -5.237 4.467 1.00 0.00 C ATOM 686 OG SER A 100 6.866 -5.694 5.741 1.00 0.00 O ATOM 0 H SER A 100 8.668 -7.362 4.672 1.00 0.00 H new ATOM 0 HA SER A 100 9.113 -4.748 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.946 -4.213 4.313 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.828 -5.846 3.688 1.00 0.00 H new ATOM 0 HG SER A 100 5.964 -5.360 5.927 1.00 0.00 H new ATOM 692 N LYS A 101 9.870 -5.470 6.510 1.00 0.00 N ATOM 693 CA LYS A 101 10.510 -4.977 7.724 1.00 0.00 C ATOM 694 C LYS A 101 12.013 -5.239 7.692 1.00 0.00 C ATOM 695 O LYS A 101 12.816 -4.306 7.679 1.00 0.00 O ATOM 696 CB LYS A 101 9.892 -5.640 8.957 1.00 0.00 C ATOM 697 CG LYS A 101 10.091 -4.848 10.237 1.00 0.00 C ATOM 698 CD LYS A 101 11.485 -5.048 10.806 1.00 0.00 C ATOM 699 CE LYS A 101 11.522 -4.773 12.302 1.00 0.00 C ATOM 700 NZ LYS A 101 11.316 -3.329 12.605 1.00 0.00 N ATOM 0 H LYS A 101 9.769 -6.484 6.469 1.00 0.00 H new ATOM 0 HA LYS A 101 10.348 -3.901 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.824 -5.779 8.788 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.326 -6.632 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.926 -3.789 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.349 -5.154 10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.814 -6.069 10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.185 -4.387 10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 101 10.751 -5.362 12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.481 -5.096 12.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 11.348 -3.182 13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.066 -2.769 12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.390 -3.027 12.241 1.00 0.00 H new ATOM 714 N PHE A 102 12.385 -6.515 7.678 1.00 0.00 N ATOM 715 CA PHE A 102 13.792 -6.900 7.647 1.00 0.00 C ATOM 716 C PHE A 102 14.336 -6.858 6.222 1.00 0.00 C ATOM 717 O PHE A 102 15.508 -6.556 6.002 1.00 0.00 O ATOM 718 CB PHE A 102 13.971 -8.302 8.233 1.00 0.00 C ATOM 719 CG PHE A 102 13.431 -8.443 9.627 1.00 0.00 C ATOM 720 CD1 PHE A 102 14.234 -8.178 10.725 1.00 0.00 C ATOM 721 CD2 PHE A 102 12.121 -8.841 9.840 1.00 0.00 C ATOM 722 CE1 PHE A 102 13.740 -8.306 12.010 1.00 0.00 C ATOM 723 CE2 PHE A 102 11.622 -8.970 11.122 1.00 0.00 C ATOM 724 CZ PHE A 102 12.432 -8.704 12.209 1.00 0.00 C ATOM 0 H PHE A 102 11.733 -7.299 7.688 1.00 0.00 H new ATOM 0 HA PHE A 102 14.352 -6.187 8.252 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.474 -9.024 7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 102 15.032 -8.553 8.236 1.00 0.00 H new ATOM 0 HD1 PHE A 102 15.258 -7.868 10.575 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.483 -9.053 8.995 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.376 -8.095 12.857 1.00 0.00 H new ATOM 0 HE2 PHE A 102 10.598 -9.279 11.274 1.00 0.00 H new ATOM 0 HZ PHE A 102 12.044 -8.807 13.212 1.00 0.00 H new ATOM 734 N GLY A 103 13.474 -7.165 5.257 1.00 0.00 N ATOM 735 CA GLY A 103 13.886 -7.158 3.865 1.00 0.00 C ATOM 736 C GLY A 103 14.650 -8.409 3.480 1.00 0.00 C ATOM 737 O GLY A 103 15.551 -8.360 2.643 1.00 0.00 O ATOM 0 H GLY A 103 12.499 -7.418 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.006 -7.064 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.509 -6.283 3.678 1.00 0.00 H new ATOM 741 N GLU A 104 14.291 -9.532 4.094 1.00 0.00 N ATOM 742 CA GLU A 104 14.952 -10.801 3.811 1.00 0.00 C ATOM 743 C GLU A 104 13.985 -11.969 3.985 1.00 0.00 C ATOM 744 O GLU A 104 13.535 -12.258 5.095 1.00 0.00 O ATOM 745 CB GLU A 104 16.162 -10.986 4.728 1.00 0.00 C ATOM 746 CG GLU A 104 16.985 -9.722 4.914 1.00 0.00 C ATOM 747 CD GLU A 104 18.361 -10.000 5.486 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.505 -10.996 6.225 1.00 0.00 O ATOM 749 OE2 GLU A 104 19.293 -9.221 5.197 1.00 0.00 O ATOM 0 H GLU A 104 13.547 -9.589 4.790 1.00 0.00 H new ATOM 0 HA GLU A 104 15.290 -10.783 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.819 -11.332 5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.801 -11.768 4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.090 -9.217 3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.452 -9.040 5.576 1.00 0.00 H new ATOM 756 N CYS A 105 13.668 -12.637 2.881 1.00 0.00 N ATOM 757 CA CYS A 105 12.755 -13.772 2.909 1.00 0.00 C ATOM 758 C CYS A 105 13.245 -14.888 1.991 1.00 0.00 C ATOM 759 O CYS A 105 13.506 -14.663 0.809 1.00 0.00 O ATOM 760 CB CYS A 105 11.350 -13.333 2.492 1.00 0.00 C ATOM 761 SG CYS A 105 10.018 -14.410 3.115 1.00 0.00 S ATOM 0 H CYS A 105 14.031 -12.411 1.955 1.00 0.00 H new ATOM 0 HA CYS A 105 12.721 -14.154 3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.178 -12.317 2.848 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.299 -13.302 1.404 1.00 0.00 H new ATOM 0 HG CYS A 105 10.373 -15.655 2.993 1.00 0.00 H new ATOM 766 N SER A 106 13.367 -16.091 2.543 1.00 0.00 N ATOM 767 CA SER A 106 13.829 -17.241 1.775 1.00 0.00 C ATOM 768 C SER A 106 12.651 -18.093 1.311 1.00 0.00 C ATOM 769 O SER A 106 12.693 -19.320 1.380 1.00 0.00 O ATOM 770 CB SER A 106 14.787 -18.089 2.613 1.00 0.00 C ATOM 771 OG SER A 106 14.111 -18.699 3.699 1.00 0.00 O ATOM 0 H SER A 106 13.152 -16.294 3.519 1.00 0.00 H new ATOM 0 HA SER A 106 14.357 -16.871 0.896 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.242 -18.856 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.597 -17.464 2.989 1.00 0.00 H new ATOM 0 HG SER A 106 14.745 -19.237 4.218 1.00 0.00 H new ATOM 777 N ASN A 107 11.600 -17.431 0.837 1.00 0.00 N ATOM 778 CA ASN A 107 10.410 -18.126 0.361 1.00 0.00 C ATOM 779 C ASN A 107 10.245 -17.954 -1.145 1.00 0.00 C ATOM 780 O ASN A 107 9.683 -16.961 -1.611 1.00 0.00 O ATOM 781 CB ASN A 107 9.166 -17.605 1.085 1.00 0.00 C ATOM 782 CG ASN A 107 9.011 -18.201 2.471 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.650 -17.757 3.425 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.160 -19.214 2.587 1.00 0.00 N ATOM 0 H ASN A 107 11.549 -16.414 0.773 1.00 0.00 H new ATOM 0 HA ASN A 107 10.530 -19.188 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.223 -16.519 1.164 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.281 -17.836 0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.015 -19.657 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.652 -19.549 1.769 1.00 0.00 H new ATOM 791 N LYS A 108 10.737 -18.927 -1.904 1.00 0.00 N ATOM 792 CA LYS A 108 10.643 -18.886 -3.359 1.00 0.00 C ATOM 793 C LYS A 108 9.194 -18.727 -3.806 1.00 0.00 C ATOM 794 O LYS A 108 8.900 -17.967 -4.728 1.00 0.00 O ATOM 795 CB LYS A 108 11.238 -20.159 -3.965 1.00 0.00 C ATOM 796 CG LYS A 108 10.695 -21.437 -3.350 1.00 0.00 C ATOM 797 CD LYS A 108 11.720 -22.558 -3.398 1.00 0.00 C ATOM 798 CE LYS A 108 11.703 -23.272 -4.741 1.00 0.00 C ATOM 799 NZ LYS A 108 12.457 -24.555 -4.697 1.00 0.00 N ATOM 0 H LYS A 108 11.206 -19.755 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 108 11.210 -18.024 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.039 -20.168 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.321 -20.138 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.407 -21.250 -2.315 1.00 0.00 H new ATOM 0 HG3 LYS A 108 9.794 -21.743 -3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.714 -22.151 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.516 -23.274 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.672 -23.467 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.135 -22.623 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.422 -25.011 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.447 -24.367 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.030 -25.185 -3.988 1.00 0.00 H new ATOM 813 N GLU A 109 8.292 -19.447 -3.146 1.00 0.00 N ATOM 814 CA GLU A 109 6.874 -19.385 -3.476 1.00 0.00 C ATOM 815 C GLU A 109 6.094 -18.649 -2.391 1.00 0.00 C ATOM 816 O GLU A 109 5.048 -19.114 -1.938 1.00 0.00 O ATOM 817 CB GLU A 109 6.307 -20.794 -3.660 1.00 0.00 C ATOM 818 CG GLU A 109 6.777 -21.478 -4.933 1.00 0.00 C ATOM 819 CD GLU A 109 5.906 -21.146 -6.129 1.00 0.00 C ATOM 820 OE1 GLU A 109 6.178 -20.126 -6.795 1.00 0.00 O ATOM 821 OE2 GLU A 109 4.953 -21.907 -6.399 1.00 0.00 O ATOM 0 H GLU A 109 8.519 -20.080 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 109 6.770 -18.835 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.590 -21.405 -2.803 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.218 -20.740 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.804 -21.181 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 109 6.782 -22.557 -4.780 1.00 0.00 H new ATOM 828 N CYS A 110 6.611 -17.497 -1.977 1.00 0.00 N ATOM 829 CA CYS A 110 5.966 -16.695 -0.944 1.00 0.00 C ATOM 830 C CYS A 110 4.698 -16.037 -1.479 1.00 0.00 C ATOM 831 O CYS A 110 4.726 -15.266 -2.438 1.00 0.00 O ATOM 832 CB CYS A 110 6.928 -15.625 -0.424 1.00 0.00 C ATOM 833 SG CYS A 110 6.532 -15.019 1.248 1.00 0.00 S ATOM 0 H CYS A 110 7.476 -17.098 -2.342 1.00 0.00 H new ATOM 0 HA CYS A 110 5.692 -17.358 -0.123 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.939 -16.031 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.925 -14.782 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 110 7.003 -13.816 1.396 1.00 0.00 H new ATOM 838 N PRO A 111 3.557 -16.348 -0.844 1.00 0.00 N ATOM 839 CA PRO A 111 2.257 -15.797 -1.238 1.00 0.00 C ATOM 840 C PRO A 111 2.139 -14.309 -0.927 1.00 0.00 C ATOM 841 O PRO A 111 1.088 -13.703 -1.134 1.00 0.00 O ATOM 842 CB PRO A 111 1.262 -16.600 -0.396 1.00 0.00 C ATOM 843 CG PRO A 111 2.043 -17.043 0.793 1.00 0.00 C ATOM 844 CD PRO A 111 3.450 -17.260 0.307 1.00 0.00 C ATOM 0 HA PRO A 111 2.089 -15.876 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.408 -15.990 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.870 -17.452 -0.952 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.014 -16.291 1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.629 -17.960 1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.183 -17.022 1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.619 -18.297 0.016 1.00 0.00 H new ATOM 852 N PHE A 112 3.225 -13.726 -0.430 1.00 0.00 N ATOM 853 CA PHE A 112 3.243 -12.308 -0.090 1.00 0.00 C ATOM 854 C PHE A 112 4.010 -11.507 -1.138 1.00 0.00 C ATOM 855 O PHE A 112 4.521 -12.064 -2.110 1.00 0.00 O ATOM 856 CB PHE A 112 3.873 -12.100 1.289 1.00 0.00 C ATOM 857 CG PHE A 112 2.918 -12.331 2.425 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.865 -11.459 2.651 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.073 -13.419 3.268 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.984 -11.668 3.695 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.196 -13.634 4.314 1.00 0.00 C ATOM 862 CZ PHE A 112 1.151 -12.757 4.529 1.00 0.00 C ATOM 0 H PHE A 112 4.104 -14.213 -0.254 1.00 0.00 H new ATOM 0 HA PHE A 112 2.213 -11.952 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.723 -12.774 1.397 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.262 -11.084 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.731 -10.605 2.003 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.889 -14.108 3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.167 -10.981 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.328 -14.487 4.963 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.466 -12.922 5.347 1.00 0.00 H new ATOM 872 N LEU A 113 4.086 -10.197 -0.933 1.00 0.00 N ATOM 873 CA LEU A 113 4.790 -9.317 -1.860 1.00 0.00 C ATOM 874 C LEU A 113 6.203 -9.023 -1.365 1.00 0.00 C ATOM 875 O LEU A 113 6.414 -8.752 -0.182 1.00 0.00 O ATOM 876 CB LEU A 113 4.018 -8.009 -2.039 1.00 0.00 C ATOM 877 CG LEU A 113 2.612 -8.134 -2.628 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.606 -8.471 -1.539 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.218 -6.851 -3.343 1.00 0.00 C ATOM 0 H LEU A 113 3.669 -9.720 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 113 4.860 -9.825 -2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.941 -7.520 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.602 -7.351 -2.682 1.00 0.00 H new ATOM 0 HG LEU A 113 2.614 -8.945 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.611 -8.556 -1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.879 -9.417 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.606 -7.682 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.215 -6.958 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.233 -6.021 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.923 -6.653 -4.150 1.00 0.00 H new ATOM 891 N HIS A 114 7.168 -9.078 -2.278 1.00 0.00 N ATOM 892 CA HIS A 114 8.561 -8.815 -1.934 1.00 0.00 C ATOM 893 C HIS A 114 9.042 -7.516 -2.574 1.00 0.00 C ATOM 894 O HIS A 114 9.384 -7.486 -3.757 1.00 0.00 O ATOM 895 CB HIS A 114 9.447 -9.977 -2.383 1.00 0.00 C ATOM 896 CG HIS A 114 9.535 -11.086 -1.380 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.146 -12.293 -1.644 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.087 -11.163 -0.105 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.068 -13.066 -0.576 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.431 -12.404 0.373 1.00 0.00 N ATOM 0 H HIS A 114 7.011 -9.302 -3.261 1.00 0.00 H new ATOM 0 HA HIS A 114 8.630 -8.713 -0.851 1.00 0.00 H new ATOM 0 HB2 HIS A 114 9.061 -10.376 -3.321 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.450 -9.601 -2.586 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.558 -10.392 0.436 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.459 -14.069 -0.493 1.00 0.00 H new ATOM 0 HE2 HIS A 114 9.228 -12.757 1.308 1.00 0.00 H new ATOM 908 N ILE A 115 9.065 -6.447 -1.786 1.00 0.00 N ATOM 909 CA ILE A 115 9.504 -5.146 -2.276 1.00 0.00 C ATOM 910 C ILE A 115 10.902 -4.811 -1.767 1.00 0.00 C ATOM 911 O ILE A 115 11.204 -4.994 -0.587 1.00 0.00 O ATOM 912 CB ILE A 115 8.533 -4.028 -1.853 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.114 -4.349 -2.326 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.993 -2.689 -2.411 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.090 -3.315 -1.912 1.00 0.00 C ATOM 0 H ILE A 115 8.785 -6.456 -0.805 1.00 0.00 H new ATOM 0 HA ILE A 115 9.521 -5.207 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 115 8.527 -3.964 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.113 -4.435 -3.413 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.819 -5.320 -1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.297 -1.908 -2.104 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.988 -2.459 -2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.024 -2.740 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.107 -3.608 -2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 115 6.063 -3.245 -0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.361 -2.346 -2.331 1.00 0.00 H new ATOM 927 N ASP A 116 11.749 -4.316 -2.662 1.00 0.00 N ATOM 928 CA ASP A 116 13.114 -3.951 -2.303 1.00 0.00 C ATOM 929 C ASP A 116 13.123 -2.889 -1.208 1.00 0.00 C ATOM 930 O ASP A 116 12.335 -1.942 -1.221 1.00 0.00 O ATOM 931 CB ASP A 116 13.868 -3.440 -3.532 1.00 0.00 C ATOM 932 CG ASP A 116 15.369 -3.611 -3.403 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.821 -4.758 -3.209 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.091 -2.596 -3.497 1.00 0.00 O ATOM 0 H ASP A 116 11.514 -4.158 -3.642 1.00 0.00 H new ATOM 0 HA ASP A 116 13.614 -4.842 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.519 -3.973 -4.416 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.637 -2.386 -3.684 1.00 0.00 H new