USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 822 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 21 LYS NZ :NH3+ 178:sc= -0.231 (180deg=0) USER MOD Set 1.2: A 23 ASN : amide:sc= -2.61 K(o=-2.8,f=-3.7!) USER MOD Single : A 16 LYS NZ :NH3+ 150:sc= -0.112 (180deg=-1.13) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 172:sc= -2.58 USER MOD Single : A 32 SER OG : rot 180:sc= -0.948 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 147:sc= 1.22 (180deg=0.856) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 90:sc= -2.09 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -120:sc= -0.223 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 62 TYR OH : rot 130:sc= -2.9 USER MOD Single : A 79 TYR OH : rot -133:sc= 0.137 USER MOD Single : A 84 MET CE :methyl 150:sc= -0.77 (180deg=-3.84!) USER MOD Single : A 97 ASN : amide:sc= -4.91! C(o=-4.9!,f=-5!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.118 USER MOD Single : A 101 ASN : amide:sc= -0.0037 K(o=-0.0037,f=-1.4) USER MOD Single : A 106 SER OG : rot 92:sc= 1.1 USER MOD Single : A 111 THR OG1 : rot -68:sc= 1.41 USER MOD Single : A 112 LYS NZ :NH3+ 162:sc=-0.00704 (180deg=-0.221) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.592 -4.763 -11.857 1.00 0.00 N ATOM 91 CA LEU A 13 -1.456 -5.657 -11.095 1.00 0.00 C ATOM 92 C LEU A 13 -2.843 -5.049 -10.920 1.00 0.00 C ATOM 93 O LEU A 13 -2.984 -3.835 -10.768 1.00 0.00 O ATOM 94 CB LEU A 13 -0.840 -5.950 -9.725 1.00 0.00 C ATOM 95 CG LEU A 13 -1.608 -6.966 -8.875 1.00 0.00 C ATOM 96 CD1 LEU A 13 -0.990 -8.349 -9.008 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.636 -6.529 -7.417 1.00 0.00 C ATOM 0 HA LEU A 13 -1.553 -6.590 -11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.177 -6.315 -9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.766 -5.015 -9.169 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.634 -7.013 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.549 -9.058 -8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.024 -8.664 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.046 -8.318 -8.671 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.186 -7.263 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.616 -6.452 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.126 -5.559 -7.337 1.00 0.00 H new ATOM 109 N ARG A 14 -3.866 -5.896 -10.949 1.00 0.00 N ATOM 110 CA ARG A 14 -5.241 -5.433 -10.798 1.00 0.00 C ATOM 111 C ARG A 14 -5.474 -4.847 -9.411 1.00 0.00 C ATOM 112 O ARG A 14 -5.697 -5.573 -8.444 1.00 0.00 O ATOM 113 CB ARG A 14 -6.224 -6.573 -11.047 1.00 0.00 C ATOM 114 CG ARG A 14 -6.107 -7.187 -12.432 1.00 0.00 C ATOM 115 CD ARG A 14 -6.753 -6.306 -13.489 1.00 0.00 C ATOM 116 NE ARG A 14 -8.103 -6.751 -13.825 1.00 0.00 N ATOM 117 CZ ARG A 14 -8.367 -7.764 -14.646 1.00 0.00 C ATOM 118 NH1 ARG A 14 -7.378 -8.438 -15.220 1.00 0.00 N ATOM 119 NH2 ARG A 14 -9.624 -8.104 -14.897 1.00 0.00 N ATOM 0 H ARG A 14 -3.770 -6.904 -11.075 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.408 -4.651 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.063 -7.350 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.240 -6.203 -10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.056 -7.338 -12.676 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.580 -8.169 -12.437 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.790 -5.277 -13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.137 -6.308 -14.388 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.890 -6.256 -13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.409 -8.180 -15.033 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.587 -9.214 -15.848 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.389 -7.589 -14.461 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.826 -8.881 -15.526 1.00 0.00 H new ATOM 133 N ILE A 15 -5.422 -3.525 -9.330 1.00 0.00 N ATOM 134 CA ILE A 15 -5.627 -2.821 -8.073 1.00 0.00 C ATOM 135 C ILE A 15 -6.430 -1.543 -8.298 1.00 0.00 C ATOM 136 O ILE A 15 -6.005 -0.657 -9.040 1.00 0.00 O ATOM 137 CB ILE A 15 -4.281 -2.465 -7.418 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.412 -3.717 -7.281 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.498 -1.815 -6.058 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.014 -3.429 -6.781 1.00 0.00 C ATOM 0 H ILE A 15 -5.238 -2.915 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.182 -3.484 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.765 -1.749 -8.058 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.897 -4.414 -6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.348 -4.213 -8.249 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.533 -1.572 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.082 -0.903 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.034 -2.505 -5.406 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.454 -4.362 -6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.510 -2.757 -7.476 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.068 -2.961 -5.798 1.00 0.00 H new ATOM 152 N LYS A 16 -7.590 -1.453 -7.658 1.00 0.00 N ATOM 153 CA LYS A 16 -8.446 -0.281 -7.796 1.00 0.00 C ATOM 154 C LYS A 16 -8.926 0.203 -6.433 1.00 0.00 C ATOM 155 O LYS A 16 -9.241 -0.599 -5.555 1.00 0.00 O ATOM 156 CB LYS A 16 -9.644 -0.599 -8.691 1.00 0.00 C ATOM 157 CG LYS A 16 -9.307 -0.620 -10.174 1.00 0.00 C ATOM 158 CD LYS A 16 -9.647 -1.961 -10.807 1.00 0.00 C ATOM 159 CE LYS A 16 -8.429 -2.869 -10.880 1.00 0.00 C ATOM 160 NZ LYS A 16 -8.013 -3.129 -12.286 1.00 0.00 N ATOM 0 H LYS A 16 -7.959 -2.176 -7.040 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.861 0.514 -8.258 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.053 -1.568 -8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.425 0.141 -8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.855 0.173 -10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.246 -0.412 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.431 -2.449 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.043 -1.801 -11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.603 -2.412 -10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.651 -3.815 -10.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.985 -3.284 -12.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.503 -3.974 -12.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.260 -2.310 -12.878 1.00 0.00 H new ATOM 174 N VAL A 17 -8.975 1.519 -6.260 1.00 0.00 N ATOM 175 CA VAL A 17 -9.414 2.106 -5.000 1.00 0.00 C ATOM 176 C VAL A 17 -10.534 3.116 -5.226 1.00 0.00 C ATOM 177 O VAL A 17 -10.348 4.122 -5.909 1.00 0.00 O ATOM 178 CB VAL A 17 -8.254 2.803 -4.257 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.484 2.754 -2.756 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.916 2.168 -4.615 1.00 0.00 C ATOM 0 H VAL A 17 -8.717 2.199 -6.975 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.782 1.284 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.225 3.846 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.658 3.249 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.417 3.262 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.542 1.715 -2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.116 2.678 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.927 1.115 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.747 2.257 -5.688 1.00 0.00 H new ATOM 190 N ASP A 18 -11.698 2.840 -4.646 1.00 0.00 N ATOM 191 CA ASP A 18 -12.848 3.724 -4.786 1.00 0.00 C ATOM 192 C ASP A 18 -13.648 3.792 -3.486 1.00 0.00 C ATOM 193 O ASP A 18 -14.847 4.071 -3.501 1.00 0.00 O ATOM 194 CB ASP A 18 -13.747 3.249 -5.931 1.00 0.00 C ATOM 195 CG ASP A 18 -13.672 4.159 -7.140 1.00 0.00 C ATOM 196 OD1 ASP A 18 -12.572 4.286 -7.721 1.00 0.00 O ATOM 197 OD2 ASP A 18 -14.711 4.745 -7.509 1.00 0.00 O ATOM 0 H ASP A 18 -11.869 2.012 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.479 4.724 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.458 2.239 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.778 3.197 -5.582 1.00 0.00 H new ATOM 202 N ASP A 19 -12.979 3.537 -2.365 1.00 0.00 N ATOM 203 CA ASP A 19 -13.634 3.572 -1.064 1.00 0.00 C ATOM 204 C ASP A 19 -12.803 4.366 -0.060 1.00 0.00 C ATOM 205 O ASP A 19 -11.611 4.117 0.108 1.00 0.00 O ATOM 206 CB ASP A 19 -13.865 2.149 -0.546 1.00 0.00 C ATOM 207 CG ASP A 19 -15.329 1.865 -0.271 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.964 2.664 0.449 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.840 0.842 -0.774 1.00 0.00 O ATOM 0 H ASP A 19 -11.986 3.305 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.598 4.067 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.490 1.433 -1.278 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.291 2.000 0.368 1.00 0.00 H new ATOM 214 N VAL A 20 -13.443 5.324 0.602 1.00 0.00 N ATOM 215 CA VAL A 20 -12.763 6.155 1.588 1.00 0.00 C ATOM 216 C VAL A 20 -13.709 6.554 2.714 1.00 0.00 C ATOM 217 O VAL A 20 -14.672 7.291 2.499 1.00 0.00 O ATOM 218 CB VAL A 20 -12.183 7.428 0.945 1.00 0.00 C ATOM 219 CG1 VAL A 20 -11.318 8.185 1.943 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.387 7.081 -0.304 1.00 0.00 C ATOM 0 H VAL A 20 -14.431 5.544 0.474 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.947 5.559 1.996 1.00 0.00 H new ATOM 0 HB VAL A 20 -13.011 8.074 0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.917 9.082 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.921 8.468 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.496 7.548 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.985 7.993 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.567 6.414 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.038 6.587 -1.025 1.00 0.00 H new ATOM 230 N LYS A 21 -13.429 6.063 3.917 1.00 0.00 N ATOM 231 CA LYS A 21 -14.255 6.369 5.079 1.00 0.00 C ATOM 232 C LYS A 21 -13.508 7.277 6.050 1.00 0.00 C ATOM 233 O LYS A 21 -12.486 6.891 6.616 1.00 0.00 O ATOM 234 CB LYS A 21 -14.677 5.080 5.786 1.00 0.00 C ATOM 235 CG LYS A 21 -16.118 5.094 6.268 1.00 0.00 C ATOM 236 CD LYS A 21 -16.339 4.100 7.396 1.00 0.00 C ATOM 237 CE LYS A 21 -16.340 4.786 8.752 1.00 0.00 C ATOM 238 NZ LYS A 21 -16.429 3.807 9.871 1.00 0.00 N ATOM 0 H LYS A 21 -12.636 5.452 4.112 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.147 6.892 4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.539 4.240 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.019 4.911 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.379 6.096 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.783 4.857 5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.288 3.585 7.247 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.557 3.341 7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.431 5.378 8.860 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.180 5.478 8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.393 4.313 10.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.324 3.282 9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.632 3.141 9.814 1.00 0.00 H new ATOM 252 N ILE A 22 -14.026 8.486 6.238 1.00 0.00 N ATOM 253 CA ILE A 22 -13.410 9.449 7.140 1.00 0.00 C ATOM 254 C ILE A 22 -13.790 9.165 8.589 1.00 0.00 C ATOM 255 O ILE A 22 -14.857 9.568 9.050 1.00 0.00 O ATOM 256 CB ILE A 22 -13.820 10.892 6.790 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.778 11.115 5.275 1.00 0.00 C ATOM 258 CG2 ILE A 22 -12.912 11.882 7.500 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.388 11.015 4.686 1.00 0.00 C ATOM 0 H ILE A 22 -14.872 8.821 5.777 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.331 9.347 7.021 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.844 11.052 7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.422 10.382 4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.189 12.099 5.050 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.212 12.898 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.991 11.740 8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.881 11.719 7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.436 11.184 3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.744 11.766 5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.981 10.022 4.880 1.00 0.00 H new ATOM 271 N ASN A 23 -12.910 8.470 9.304 1.00 0.00 N ATOM 272 CA ASN A 23 -13.159 8.137 10.702 1.00 0.00 C ATOM 273 C ASN A 23 -12.569 9.201 11.625 1.00 0.00 C ATOM 274 O ASN A 23 -11.523 9.779 11.329 1.00 0.00 O ATOM 275 CB ASN A 23 -12.566 6.767 11.040 1.00 0.00 C ATOM 276 CG ASN A 23 -12.827 5.736 9.959 1.00 0.00 C ATOM 277 OD1 ASN A 23 -12.287 5.827 8.856 1.00 0.00 O ATOM 278 ND2 ASN A 23 -13.658 4.749 10.271 1.00 0.00 N ATOM 0 H ASN A 23 -12.021 8.128 8.939 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.238 8.103 10.854 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.491 6.867 11.189 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.987 6.415 11.982 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.872 4.026 9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.083 4.714 11.198 1.00 0.00 H new ATOM 285 N PRO A 24 -13.235 9.475 12.760 1.00 0.00 N ATOM 286 CA PRO A 24 -12.768 10.475 13.725 1.00 0.00 C ATOM 287 C PRO A 24 -11.319 10.247 14.146 1.00 0.00 C ATOM 288 O PRO A 24 -10.639 11.173 14.587 1.00 0.00 O ATOM 289 CB PRO A 24 -13.706 10.284 14.921 1.00 0.00 C ATOM 290 CG PRO A 24 -14.942 9.689 14.343 1.00 0.00 C ATOM 291 CD PRO A 24 -14.491 8.832 13.192 1.00 0.00 C ATOM 0 HA PRO A 24 -12.788 11.481 13.306 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.264 9.627 15.670 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.917 11.233 15.414 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.474 9.095 15.087 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.628 10.466 14.006 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.329 7.799 13.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.230 8.814 12.391 1.00 0.00 H new ATOM 299 N LYS A 25 -10.853 9.009 14.009 1.00 0.00 N ATOM 300 CA LYS A 25 -9.486 8.663 14.379 1.00 0.00 C ATOM 301 C LYS A 25 -8.536 8.832 13.197 1.00 0.00 C ATOM 302 O LYS A 25 -7.424 9.338 13.352 1.00 0.00 O ATOM 303 CB LYS A 25 -9.425 7.224 14.895 1.00 0.00 C ATOM 304 CG LYS A 25 -9.980 7.059 16.300 1.00 0.00 C ATOM 305 CD LYS A 25 -10.661 5.712 16.477 1.00 0.00 C ATOM 306 CE LYS A 25 -9.669 4.630 16.873 1.00 0.00 C ATOM 307 NZ LYS A 25 -10.147 3.840 18.042 1.00 0.00 N ATOM 0 H LYS A 25 -11.402 8.230 13.645 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.171 9.342 15.171 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.982 6.579 14.215 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.389 6.885 14.880 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.172 7.157 17.025 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.692 7.858 16.507 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.435 5.793 17.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.157 5.430 15.548 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.503 3.963 16.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.709 5.087 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.443 3.113 18.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.282 4.472 18.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.051 3.383 17.806 1.00 0.00 H new ATOM 321 N TYR A 26 -8.976 8.404 12.018 1.00 0.00 N ATOM 322 CA TYR A 26 -8.154 8.509 10.816 1.00 0.00 C ATOM 323 C TYR A 26 -8.953 8.139 9.568 1.00 0.00 C ATOM 324 O TYR A 26 -9.998 7.496 9.654 1.00 0.00 O ATOM 325 CB TYR A 26 -6.926 7.605 10.933 1.00 0.00 C ATOM 326 CG TYR A 26 -7.230 6.239 11.508 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.094 5.367 10.858 1.00 0.00 C ATOM 328 CD2 TYR A 26 -6.655 5.823 12.703 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.376 4.119 11.381 1.00 0.00 C ATOM 330 CE2 TYR A 26 -6.931 4.577 13.232 1.00 0.00 C ATOM 331 CZ TYR A 26 -7.792 3.729 12.568 1.00 0.00 C ATOM 332 OH TYR A 26 -8.069 2.488 13.093 1.00 0.00 O ATOM 0 H TYR A 26 -9.893 7.983 11.869 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.830 9.545 10.721 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.480 7.483 9.946 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.182 8.096 11.560 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.553 5.669 9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.981 6.485 13.227 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.050 3.453 10.863 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.475 4.269 14.161 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.576 2.370 13.932 1.00 0.00 H new ATOM 342 N VAL A 27 -8.450 8.553 8.409 1.00 0.00 N ATOM 343 CA VAL A 27 -9.110 8.267 7.140 1.00 0.00 C ATOM 344 C VAL A 27 -8.588 6.972 6.529 1.00 0.00 C ATOM 345 O VAL A 27 -7.407 6.863 6.198 1.00 0.00 O ATOM 346 CB VAL A 27 -8.910 9.414 6.131 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.815 9.230 4.923 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.158 10.763 6.793 1.00 0.00 C ATOM 0 H VAL A 27 -7.586 9.088 8.323 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.174 8.162 7.354 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.876 9.390 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.658 10.050 4.223 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.580 8.285 4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.856 9.223 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.011 11.559 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.180 10.801 7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.461 10.896 7.620 1.00 0.00 H new ATOM 358 N LEU A 28 -9.473 5.990 6.384 1.00 0.00 N ATOM 359 CA LEU A 28 -9.097 4.701 5.813 1.00 0.00 C ATOM 360 C LEU A 28 -9.343 4.677 4.308 1.00 0.00 C ATOM 361 O LEU A 28 -10.152 5.443 3.787 1.00 0.00 O ATOM 362 CB LEU A 28 -9.879 3.572 6.487 1.00 0.00 C ATOM 363 CG LEU A 28 -9.688 3.465 8.001 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.391 2.229 8.541 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.207 3.433 8.349 1.00 0.00 C ATOM 0 H LEU A 28 -10.454 6.062 6.654 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.032 4.552 5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.940 3.711 6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.586 2.626 6.032 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.132 4.344 8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.244 2.169 9.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.457 2.292 8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.976 1.339 8.068 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.089 3.357 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.739 2.572 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.730 4.347 7.996 1.00 0.00 H new ATOM 377 N TYR A 29 -8.636 3.789 3.615 1.00 0.00 N ATOM 378 CA TYR A 29 -8.773 3.661 2.168 1.00 0.00 C ATOM 379 C TYR A 29 -9.140 2.231 1.780 1.00 0.00 C ATOM 380 O TYR A 29 -8.423 1.286 2.107 1.00 0.00 O ATOM 381 CB TYR A 29 -7.471 4.066 1.474 1.00 0.00 C ATOM 382 CG TYR A 29 -7.299 5.561 1.330 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.717 6.313 2.342 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.717 6.219 0.181 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.558 7.680 2.214 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.560 7.585 0.044 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.981 8.310 1.063 1.00 0.00 C ATOM 388 OH TYR A 29 -6.823 9.671 0.932 1.00 0.00 O ATOM 0 H TYR A 29 -7.962 3.147 4.033 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.574 4.326 1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.629 3.665 2.038 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.439 3.609 0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.383 5.822 3.244 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.172 5.654 -0.619 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.105 8.251 3.011 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.889 8.082 -0.857 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.056 9.941 0.019 1.00 0.00 H new ATOM 398 N GLY A 30 -10.257 2.082 1.076 1.00 0.00 N ATOM 399 CA GLY A 30 -10.694 0.765 0.653 1.00 0.00 C ATOM 400 C GLY A 30 -10.064 0.346 -0.661 1.00 0.00 C ATOM 401 O GLY A 30 -10.557 0.698 -1.733 1.00 0.00 O ATOM 0 H GLY A 30 -10.867 2.849 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.442 0.036 1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.779 0.760 0.551 1.00 0.00 H new ATOM 405 N VAL A 31 -8.970 -0.404 -0.578 1.00 0.00 N ATOM 406 CA VAL A 31 -8.270 -0.866 -1.770 1.00 0.00 C ATOM 407 C VAL A 31 -8.853 -2.178 -2.279 1.00 0.00 C ATOM 408 O VAL A 31 -8.836 -3.191 -1.581 1.00 0.00 O ATOM 409 CB VAL A 31 -6.765 -1.058 -1.500 1.00 0.00 C ATOM 410 CG1 VAL A 31 -6.020 -1.342 -2.794 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.189 0.165 -0.801 1.00 0.00 C ATOM 0 H VAL A 31 -8.550 -0.704 0.302 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.401 -0.095 -2.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.640 -1.918 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.959 -1.474 -2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.415 -2.250 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.151 -0.505 -3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.125 0.012 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.326 1.043 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.702 0.317 0.148 1.00 0.00 H new ATOM 421 N SER A 32 -9.371 -2.149 -3.503 1.00 0.00 N ATOM 422 CA SER A 32 -9.964 -3.335 -4.112 1.00 0.00 C ATOM 423 C SER A 32 -8.918 -4.131 -4.887 1.00 0.00 C ATOM 424 O SER A 32 -8.117 -3.563 -5.630 1.00 0.00 O ATOM 425 CB SER A 32 -11.114 -2.935 -5.041 1.00 0.00 C ATOM 426 OG SER A 32 -12.370 -3.201 -4.443 1.00 0.00 O ATOM 0 H SER A 32 -9.392 -1.317 -4.093 1.00 0.00 H new ATOM 0 HA SER A 32 -10.354 -3.967 -3.314 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.039 -1.874 -5.281 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.033 -3.481 -5.981 1.00 0.00 H new ATOM 0 HG SER A 32 -13.087 -2.935 -5.056 1.00 0.00 H new ATOM 432 N THR A 33 -8.931 -5.447 -4.708 1.00 0.00 N ATOM 433 CA THR A 33 -7.982 -6.321 -5.387 1.00 0.00 C ATOM 434 C THR A 33 -8.587 -7.705 -5.613 1.00 0.00 C ATOM 435 O THR A 33 -9.605 -8.047 -5.012 1.00 0.00 O ATOM 436 CB THR A 33 -6.696 -6.433 -4.567 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.993 -6.630 -3.196 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.817 -5.208 -4.675 1.00 0.00 C ATOM 0 H THR A 33 -9.589 -5.932 -4.098 1.00 0.00 H new ATOM 0 HA THR A 33 -7.747 -5.888 -6.360 1.00 0.00 H new ATOM 0 HB THR A 33 -6.158 -7.287 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.158 -6.701 -2.687 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.921 -5.349 -4.071 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.533 -5.055 -5.716 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.363 -4.336 -4.316 1.00 0.00 H new ATOM 446 N PRO A 34 -7.969 -8.524 -6.488 1.00 0.00 N ATOM 447 CA PRO A 34 -8.455 -9.873 -6.788 1.00 0.00 C ATOM 448 C PRO A 34 -8.933 -10.615 -5.544 1.00 0.00 C ATOM 449 O PRO A 34 -9.846 -11.437 -5.610 1.00 0.00 O ATOM 450 CB PRO A 34 -7.226 -10.550 -7.385 1.00 0.00 C ATOM 451 CG PRO A 34 -6.492 -9.447 -8.067 1.00 0.00 C ATOM 452 CD PRO A 34 -6.748 -8.201 -7.255 1.00 0.00 C ATOM 0 HA PRO A 34 -9.322 -9.863 -7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.615 -11.017 -6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.506 -11.335 -8.087 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.425 -9.664 -8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.843 -9.322 -9.091 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.910 -7.974 -6.596 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.896 -7.330 -7.894 1.00 0.00 H new ATOM 460 N ASN A 35 -8.316 -10.309 -4.409 1.00 0.00 N ATOM 461 CA ASN A 35 -8.687 -10.936 -3.148 1.00 0.00 C ATOM 462 C ASN A 35 -9.972 -10.318 -2.607 1.00 0.00 C ATOM 463 O ASN A 35 -10.946 -11.022 -2.342 1.00 0.00 O ATOM 464 CB ASN A 35 -7.561 -10.784 -2.124 1.00 0.00 C ATOM 465 CG ASN A 35 -6.441 -11.782 -2.343 1.00 0.00 C ATOM 466 OD1 ASN A 35 -6.344 -12.787 -1.639 1.00 0.00 O ATOM 467 ND2 ASN A 35 -5.589 -11.509 -3.324 1.00 0.00 N ATOM 0 H ASN A 35 -7.557 -9.631 -4.337 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.855 -11.998 -3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.158 -9.773 -2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.967 -10.912 -1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.815 -12.145 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.708 -10.664 -3.882 1.00 0.00 H new ATOM 474 N LYS A 36 -9.964 -8.994 -2.456 1.00 0.00 N ATOM 475 CA LYS A 36 -11.125 -8.259 -1.955 1.00 0.00 C ATOM 476 C LYS A 36 -10.736 -6.842 -1.549 1.00 0.00 C ATOM 477 O LYS A 36 -9.577 -6.446 -1.673 1.00 0.00 O ATOM 478 CB LYS A 36 -11.759 -8.981 -0.760 1.00 0.00 C ATOM 479 CG LYS A 36 -10.744 -9.509 0.244 1.00 0.00 C ATOM 480 CD LYS A 36 -10.778 -8.721 1.545 1.00 0.00 C ATOM 481 CE LYS A 36 -11.252 -9.582 2.708 1.00 0.00 C ATOM 482 NZ LYS A 36 -12.711 -9.866 2.629 1.00 0.00 N ATOM 0 H LYS A 36 -9.161 -8.405 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.855 -8.209 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.438 -8.296 -0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.361 -9.813 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.948 -10.560 0.449 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.744 -9.457 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.783 -8.331 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.440 -7.862 1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.699 -10.521 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.031 -9.076 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.994 -10.454 3.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.240 -8.971 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.919 -10.371 1.744 1.00 0.00 H new ATOM 496 N ARG A 37 -11.712 -6.084 -1.060 1.00 0.00 N ATOM 497 CA ARG A 37 -11.470 -4.711 -0.632 1.00 0.00 C ATOM 498 C ARG A 37 -10.871 -4.681 0.770 1.00 0.00 C ATOM 499 O ARG A 37 -11.342 -5.373 1.673 1.00 0.00 O ATOM 500 CB ARG A 37 -12.771 -3.907 -0.661 1.00 0.00 C ATOM 501 CG ARG A 37 -12.572 -2.443 -1.022 1.00 0.00 C ATOM 502 CD ARG A 37 -13.713 -1.917 -1.878 1.00 0.00 C ATOM 503 NE ARG A 37 -15.009 -2.062 -1.215 1.00 0.00 N ATOM 504 CZ ARG A 37 -15.868 -3.052 -1.460 1.00 0.00 C ATOM 505 NH1 ARG A 37 -15.578 -3.997 -2.347 1.00 0.00 N ATOM 506 NH2 ARG A 37 -17.022 -3.098 -0.809 1.00 0.00 N ATOM 0 H ARG A 37 -12.677 -6.397 -0.950 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.759 -4.259 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.453 -4.361 -1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.250 -3.970 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.497 -1.850 -0.111 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.630 -2.325 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.539 -0.866 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.730 -2.452 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.272 -1.362 -0.522 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.690 -3.970 -2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.243 -4.750 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.250 -2.378 -0.124 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.682 -3.854 -0.994 1.00 0.00 H new ATOM 520 N LEU A 38 -9.826 -3.878 0.944 1.00 0.00 N ATOM 521 CA LEU A 38 -9.158 -3.761 2.233 1.00 0.00 C ATOM 522 C LEU A 38 -9.069 -2.303 2.671 1.00 0.00 C ATOM 523 O LEU A 38 -8.789 -1.416 1.863 1.00 0.00 O ATOM 524 CB LEU A 38 -7.759 -4.377 2.157 1.00 0.00 C ATOM 525 CG LEU A 38 -7.565 -5.639 2.999 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.680 -6.640 2.272 1.00 0.00 C ATOM 527 CD2 LEU A 38 -6.973 -5.283 4.354 1.00 0.00 C ATOM 0 H LEU A 38 -9.424 -3.299 0.207 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.746 -4.303 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.538 -4.615 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.031 -3.630 2.475 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.539 -6.102 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.555 -7.530 2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.145 -6.916 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.705 -6.192 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.840 -6.191 4.943 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.007 -4.797 4.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.647 -4.605 4.879 1.00 0.00 H new ATOM 539 N TYR A 39 -9.310 -2.060 3.956 1.00 0.00 N ATOM 540 CA TYR A 39 -9.258 -0.710 4.503 1.00 0.00 C ATOM 541 C TYR A 39 -7.947 -0.472 5.246 1.00 0.00 C ATOM 542 O TYR A 39 -7.683 -1.096 6.273 1.00 0.00 O ATOM 543 CB TYR A 39 -10.441 -0.473 5.444 1.00 0.00 C ATOM 544 CG TYR A 39 -11.785 -0.535 4.754 1.00 0.00 C ATOM 545 CD1 TYR A 39 -12.208 0.494 3.921 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.632 -1.621 4.936 1.00 0.00 C ATOM 547 CE1 TYR A 39 -13.436 0.442 3.289 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.861 -1.681 4.307 1.00 0.00 C ATOM 549 CZ TYR A 39 -14.259 -0.647 3.485 1.00 0.00 C ATOM 550 OH TYR A 39 -15.481 -0.704 2.858 1.00 0.00 O ATOM 0 H TYR A 39 -9.543 -2.782 4.638 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.316 -0.007 3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.416 -1.217 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.329 0.503 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.566 1.349 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.325 -2.432 5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.749 1.250 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.507 -2.533 4.458 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.935 -1.538 3.102 1.00 0.00 H new ATOM 560 N LYS A 40 -7.131 0.435 4.718 1.00 0.00 N ATOM 561 CA LYS A 40 -5.847 0.757 5.332 1.00 0.00 C ATOM 562 C LYS A 40 -5.630 2.267 5.377 1.00 0.00 C ATOM 563 O LYS A 40 -6.431 3.035 4.846 1.00 0.00 O ATOM 564 CB LYS A 40 -4.708 0.083 4.563 1.00 0.00 C ATOM 565 CG LYS A 40 -3.891 -0.880 5.409 1.00 0.00 C ATOM 566 CD LYS A 40 -4.397 -2.308 5.277 1.00 0.00 C ATOM 567 CE LYS A 40 -4.617 -2.952 6.637 1.00 0.00 C ATOM 568 NZ LYS A 40 -4.209 -4.384 6.647 1.00 0.00 N ATOM 0 H LYS A 40 -7.335 0.960 3.867 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.854 0.381 6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.124 -0.457 3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.047 0.851 4.161 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.845 -0.834 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.934 -0.573 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.332 -2.313 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.679 -2.898 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.050 -2.408 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.669 -2.873 6.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.839 -4.633 7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.032 -4.981 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.470 -4.539 5.932 1.00 0.00 H new ATOM 582 N ARG A 41 -4.542 2.684 6.018 1.00 0.00 N ATOM 583 CA ARG A 41 -4.221 4.102 6.133 1.00 0.00 C ATOM 584 C ARG A 41 -2.910 4.425 5.423 1.00 0.00 C ATOM 585 O ARG A 41 -2.043 3.563 5.273 1.00 0.00 O ATOM 586 CB ARG A 41 -4.130 4.504 7.607 1.00 0.00 C ATOM 587 CG ARG A 41 -3.861 5.985 7.819 1.00 0.00 C ATOM 588 CD ARG A 41 -4.230 6.423 9.228 1.00 0.00 C ATOM 589 NE ARG A 41 -3.092 6.347 10.142 1.00 0.00 N ATOM 590 CZ ARG A 41 -2.740 5.246 10.803 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.432 4.122 10.658 1.00 0.00 N ATOM 592 NH2 ARG A 41 -1.691 5.267 11.614 1.00 0.00 N ATOM 0 H ARG A 41 -3.869 2.061 6.465 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.019 4.670 5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.062 4.238 8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.337 3.927 8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.807 6.194 7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.432 6.567 7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.607 7.446 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.038 5.795 9.603 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.533 7.189 10.282 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.240 4.097 10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.155 3.283 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.154 6.126 11.731 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.421 4.424 12.121 1.00 0.00 H new ATOM 606 N TYR A 42 -2.771 5.675 4.987 1.00 0.00 N ATOM 607 CA TYR A 42 -1.564 6.114 4.294 1.00 0.00 C ATOM 608 C TYR A 42 -0.321 5.826 5.132 1.00 0.00 C ATOM 609 O TYR A 42 0.640 5.225 4.651 1.00 0.00 O ATOM 610 CB TYR A 42 -1.646 7.608 3.978 1.00 0.00 C ATOM 611 CG TYR A 42 -0.610 8.073 2.981 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.767 7.830 1.623 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.525 8.757 3.399 1.00 0.00 C ATOM 614 CE1 TYR A 42 0.178 8.254 0.708 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.474 9.186 2.491 1.00 0.00 C ATOM 616 CZ TYR A 42 1.296 8.931 1.147 1.00 0.00 C ATOM 617 OH TYR A 42 2.239 9.357 0.240 1.00 0.00 O ATOM 0 H TYR A 42 -3.479 6.400 5.102 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.488 5.557 3.360 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.639 7.835 3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.528 8.173 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.642 7.301 1.276 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.668 8.957 4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.042 8.056 -0.345 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.350 9.718 2.832 1.00 0.00 H new ATOM 0 HH TYR A 42 2.963 9.818 0.713 1.00 0.00 H new ATOM 627 N SER A 43 -0.353 6.253 6.391 1.00 0.00 N ATOM 628 CA SER A 43 0.768 6.033 7.299 1.00 0.00 C ATOM 629 C SER A 43 1.105 4.549 7.390 1.00 0.00 C ATOM 630 O SER A 43 2.247 4.176 7.663 1.00 0.00 O ATOM 631 CB SER A 43 0.440 6.580 8.690 1.00 0.00 C ATOM 632 OG SER A 43 -0.360 5.668 9.421 1.00 0.00 O ATOM 0 H SER A 43 -1.141 6.752 6.805 1.00 0.00 H new ATOM 0 HA SER A 43 1.635 6.563 6.904 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.364 6.775 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.082 7.532 8.596 1.00 0.00 H new ATOM 0 HG SER A 43 0.217 5.057 9.925 1.00 0.00 H new ATOM 638 N GLU A 44 0.104 3.705 7.154 1.00 0.00 N ATOM 639 CA GLU A 44 0.295 2.261 7.204 1.00 0.00 C ATOM 640 C GLU A 44 1.243 1.808 6.099 1.00 0.00 C ATOM 641 O GLU A 44 2.111 0.961 6.318 1.00 0.00 O ATOM 642 CB GLU A 44 -1.049 1.542 7.069 1.00 0.00 C ATOM 643 CG GLU A 44 -1.024 0.105 7.565 1.00 0.00 C ATOM 644 CD GLU A 44 -1.950 -0.124 8.743 1.00 0.00 C ATOM 645 OE1 GLU A 44 -1.718 0.486 9.808 1.00 0.00 O ATOM 646 OE2 GLU A 44 -2.907 -0.915 8.601 1.00 0.00 O ATOM 0 H GLU A 44 -0.846 3.997 6.927 1.00 0.00 H new ATOM 0 HA GLU A 44 0.736 2.006 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.805 2.096 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.353 1.551 6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.308 -0.561 6.750 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.006 -0.158 7.852 1.00 0.00 H new ATOM 653 N PHE A 45 1.077 2.382 4.911 1.00 0.00 N ATOM 654 CA PHE A 45 1.925 2.040 3.775 1.00 0.00 C ATOM 655 C PHE A 45 3.387 2.330 4.093 1.00 0.00 C ATOM 656 O PHE A 45 4.257 1.481 3.893 1.00 0.00 O ATOM 657 CB PHE A 45 1.494 2.820 2.531 1.00 0.00 C ATOM 658 CG PHE A 45 0.699 2.002 1.555 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.334 1.152 0.663 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.685 2.083 1.527 1.00 0.00 C ATOM 661 CE1 PHE A 45 0.604 0.398 -0.237 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.419 1.331 0.629 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.773 0.488 -0.254 1.00 0.00 C ATOM 0 H PHE A 45 0.365 3.084 4.711 1.00 0.00 H new ATOM 0 HA PHE A 45 1.815 0.974 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.900 3.681 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.381 3.208 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.411 1.078 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.195 2.741 2.215 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.111 -0.261 -0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.497 1.403 0.618 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.345 -0.100 -0.957 1.00 0.00 H new ATOM 673 N TRP A 46 3.651 3.529 4.601 1.00 0.00 N ATOM 674 CA TRP A 46 5.008 3.921 4.957 1.00 0.00 C ATOM 675 C TRP A 46 5.561 2.996 6.035 1.00 0.00 C ATOM 676 O TRP A 46 6.759 2.711 6.071 1.00 0.00 O ATOM 677 CB TRP A 46 5.037 5.374 5.441 1.00 0.00 C ATOM 678 CG TRP A 46 6.373 5.803 5.967 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.798 5.754 7.265 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.461 6.342 5.208 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.082 6.231 7.358 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.511 6.599 6.109 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.649 6.633 3.855 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.731 7.132 5.699 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.860 7.163 3.449 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.887 7.407 4.369 1.00 0.00 C ATOM 0 H TRP A 46 2.945 4.244 4.775 1.00 0.00 H new ATOM 0 HA TRP A 46 5.635 3.838 4.069 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.753 6.029 4.617 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.289 5.503 6.223 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.210 5.393 8.096 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.628 6.300 8.217 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.862 6.447 3.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.525 7.321 6.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 9.016 7.392 2.405 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.822 7.821 4.021 1.00 0.00 H new ATOM 697 N LYS A 47 4.677 2.527 6.910 1.00 0.00 N ATOM 698 CA LYS A 47 5.073 1.630 7.989 1.00 0.00 C ATOM 699 C LYS A 47 5.655 0.336 7.429 1.00 0.00 C ATOM 700 O LYS A 47 6.502 -0.295 8.058 1.00 0.00 O ATOM 701 CB LYS A 47 3.875 1.319 8.889 1.00 0.00 C ATOM 702 CG LYS A 47 3.760 2.244 10.089 1.00 0.00 C ATOM 703 CD LYS A 47 2.310 2.573 10.404 1.00 0.00 C ATOM 704 CE LYS A 47 2.146 3.073 11.831 1.00 0.00 C ATOM 705 NZ LYS A 47 1.183 2.240 12.604 1.00 0.00 N ATOM 0 H LYS A 47 3.683 2.753 6.893 1.00 0.00 H new ATOM 0 HA LYS A 47 5.841 2.128 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.961 1.387 8.299 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.952 0.290 9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.224 1.775 10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.309 3.165 9.893 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.949 3.331 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.695 1.686 10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.114 3.067 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.801 4.107 11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.099 2.613 13.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.252 2.266 12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.524 1.258 12.640 1.00 0.00 H new ATOM 719 N LEU A 48 5.196 -0.051 6.240 1.00 0.00 N ATOM 720 CA LEU A 48 5.674 -1.270 5.593 1.00 0.00 C ATOM 721 C LEU A 48 6.877 -0.976 4.695 1.00 0.00 C ATOM 722 O LEU A 48 7.700 -1.854 4.438 1.00 0.00 O ATOM 723 CB LEU A 48 4.549 -1.907 4.772 1.00 0.00 C ATOM 724 CG LEU A 48 4.978 -3.043 3.838 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.376 -4.274 4.637 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.861 -3.379 2.862 1.00 0.00 C ATOM 0 H LEU A 48 4.494 0.462 5.706 1.00 0.00 H new ATOM 0 HA LEU A 48 5.988 -1.967 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.794 -2.290 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.073 -1.129 4.175 1.00 0.00 H new ATOM 0 HG LEU A 48 5.846 -2.710 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.677 -5.069 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.208 -4.027 5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.528 -4.610 5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.182 -4.188 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.976 -3.691 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.624 -2.499 2.264 1.00 0.00 H new ATOM 738 N LYS A 49 6.964 0.261 4.216 1.00 0.00 N ATOM 739 CA LYS A 49 8.056 0.675 3.339 1.00 0.00 C ATOM 740 C LYS A 49 9.420 0.402 3.973 1.00 0.00 C ATOM 741 O LYS A 49 10.151 -0.489 3.539 1.00 0.00 O ATOM 742 CB LYS A 49 7.927 2.164 3.010 1.00 0.00 C ATOM 743 CG LYS A 49 8.096 2.477 1.532 1.00 0.00 C ATOM 744 CD LYS A 49 9.520 2.902 1.212 1.00 0.00 C ATOM 745 CE LYS A 49 9.830 4.281 1.772 1.00 0.00 C ATOM 746 NZ LYS A 49 10.707 5.067 0.860 1.00 0.00 N ATOM 0 H LYS A 49 6.289 0.998 4.421 1.00 0.00 H new ATOM 0 HA LYS A 49 7.987 0.090 2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.949 2.517 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.673 2.719 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.836 1.599 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.405 3.270 1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.219 2.175 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.665 2.906 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.899 4.823 1.937 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.315 4.178 2.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.895 6.001 1.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.606 4.562 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.234 5.188 -0.058 1.00 0.00 H new ATOM 760 N THR A 50 9.758 1.185 4.993 1.00 0.00 N ATOM 761 CA THR A 50 11.039 1.047 5.687 1.00 0.00 C ATOM 762 C THR A 50 11.331 -0.407 6.056 1.00 0.00 C ATOM 763 O THR A 50 12.491 -0.798 6.186 1.00 0.00 O ATOM 764 CB THR A 50 11.060 1.924 6.944 1.00 0.00 C ATOM 765 OG1 THR A 50 12.046 1.472 7.858 1.00 0.00 O ATOM 766 CG2 THR A 50 9.736 1.962 7.678 1.00 0.00 C ATOM 0 H THR A 50 9.161 1.926 5.360 1.00 0.00 H new ATOM 0 HA THR A 50 11.820 1.379 5.003 1.00 0.00 H new ATOM 0 HB THR A 50 11.284 2.929 6.585 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.044 2.046 8.652 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.825 2.601 8.556 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.965 2.359 7.017 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.464 0.954 7.989 1.00 0.00 H new ATOM 774 N ARG A 51 10.281 -1.204 6.220 1.00 0.00 N ATOM 775 CA ARG A 51 10.449 -2.611 6.569 1.00 0.00 C ATOM 776 C ARG A 51 11.139 -3.360 5.438 1.00 0.00 C ATOM 777 O ARG A 51 12.201 -3.952 5.626 1.00 0.00 O ATOM 778 CB ARG A 51 9.095 -3.258 6.868 1.00 0.00 C ATOM 779 CG ARG A 51 8.200 -2.418 7.761 1.00 0.00 C ATOM 780 CD ARG A 51 8.649 -2.469 9.212 1.00 0.00 C ATOM 781 NE ARG A 51 8.497 -1.178 9.877 1.00 0.00 N ATOM 782 CZ ARG A 51 8.425 -1.025 11.198 1.00 0.00 C ATOM 783 NH1 ARG A 51 8.495 -2.081 11.999 1.00 0.00 N ATOM 784 NH2 ARG A 51 8.284 0.186 11.718 1.00 0.00 N ATOM 0 H ARG A 51 9.312 -0.904 6.118 1.00 0.00 H new ATOM 0 HA ARG A 51 11.070 -2.667 7.463 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.578 -3.449 5.927 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.261 -4.225 7.342 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.206 -1.385 7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.173 -2.774 7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.068 -3.222 9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.693 -2.780 9.258 1.00 0.00 H new ATOM 0 HE ARG A 51 8.443 -0.343 9.294 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.604 -3.015 11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.439 -1.959 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.231 1.001 11.106 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.229 0.303 12.730 1.00 0.00 H new ATOM 798 N LEU A 52 10.526 -3.322 4.260 1.00 0.00 N ATOM 799 CA LEU A 52 11.073 -3.991 3.084 1.00 0.00 C ATOM 800 C LEU A 52 12.547 -3.644 2.890 1.00 0.00 C ATOM 801 O LEU A 52 13.326 -4.454 2.387 1.00 0.00 O ATOM 802 CB LEU A 52 10.281 -3.600 1.834 1.00 0.00 C ATOM 803 CG LEU A 52 8.778 -3.872 1.907 1.00 0.00 C ATOM 804 CD1 LEU A 52 8.036 -3.047 0.868 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.496 -5.355 1.714 1.00 0.00 C ATOM 0 H LEU A 52 9.646 -2.833 4.093 1.00 0.00 H new ATOM 0 HA LEU A 52 10.989 -5.066 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.433 -2.538 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.691 -4.139 0.980 1.00 0.00 H new ATOM 0 HG LEU A 52 8.422 -3.580 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.968 -3.253 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.213 -1.987 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.395 -3.308 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.422 -5.531 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.866 -5.672 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.998 -5.925 2.496 1.00 0.00 H new ATOM 817 N GLU A 53 12.923 -2.435 3.295 1.00 0.00 N ATOM 818 CA GLU A 53 14.304 -1.983 3.166 1.00 0.00 C ATOM 819 C GLU A 53 15.219 -2.756 4.112 1.00 0.00 C ATOM 820 O GLU A 53 16.350 -3.089 3.761 1.00 0.00 O ATOM 821 CB GLU A 53 14.400 -0.484 3.456 1.00 0.00 C ATOM 822 CG GLU A 53 13.688 0.381 2.429 1.00 0.00 C ATOM 823 CD GLU A 53 14.266 1.780 2.344 1.00 0.00 C ATOM 824 OE1 GLU A 53 14.702 2.307 3.389 1.00 0.00 O ATOM 825 OE2 GLU A 53 14.283 2.348 1.232 1.00 0.00 O ATOM 0 H GLU A 53 12.292 -1.752 3.714 1.00 0.00 H new ATOM 0 HA GLU A 53 14.628 -2.170 2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.978 -0.285 4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.451 -0.197 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.753 -0.095 1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.630 0.444 2.683 1.00 0.00 H new ATOM 832 N ARG A 54 14.720 -3.038 5.311 1.00 0.00 N ATOM 833 CA ARG A 54 15.493 -3.772 6.308 1.00 0.00 C ATOM 834 C ARG A 54 15.257 -5.277 6.190 1.00 0.00 C ATOM 835 O ARG A 54 16.064 -6.076 6.663 1.00 0.00 O ATOM 836 CB ARG A 54 15.127 -3.296 7.716 1.00 0.00 C ATOM 837 CG ARG A 54 15.116 -1.783 7.863 1.00 0.00 C ATOM 838 CD ARG A 54 16.517 -1.234 8.074 1.00 0.00 C ATOM 839 NE ARG A 54 17.361 -1.416 6.896 1.00 0.00 N ATOM 840 CZ ARG A 54 18.690 -1.337 6.917 1.00 0.00 C ATOM 841 NH1 ARG A 54 19.329 -1.082 8.052 1.00 0.00 N ATOM 842 NH2 ARG A 54 19.382 -1.517 5.800 1.00 0.00 N ATOM 0 H ARG A 54 13.784 -2.770 5.616 1.00 0.00 H new ATOM 0 HA ARG A 54 16.550 -3.576 6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.143 -3.685 7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.836 -3.717 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.678 -1.333 6.972 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.484 -1.503 8.705 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.458 -0.173 8.316 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.976 -1.731 8.929 1.00 0.00 H new ATOM 0 HE ARG A 54 16.906 -1.615 6.005 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.802 -0.945 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.347 -1.023 8.062 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.896 -1.716 4.925 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.400 -1.457 5.815 1.00 0.00 H new ATOM 856 N ASP A 55 14.150 -5.656 5.560 1.00 0.00 N ATOM 857 CA ASP A 55 13.814 -7.064 5.384 1.00 0.00 C ATOM 858 C ASP A 55 14.431 -7.611 4.102 1.00 0.00 C ATOM 859 O ASP A 55 14.955 -8.724 4.077 1.00 0.00 O ATOM 860 CB ASP A 55 12.296 -7.249 5.353 1.00 0.00 C ATOM 861 CG ASP A 55 11.853 -8.520 6.049 1.00 0.00 C ATOM 862 OD1 ASP A 55 12.475 -9.577 5.807 1.00 0.00 O ATOM 863 OD2 ASP A 55 10.885 -8.461 6.835 1.00 0.00 O ATOM 0 H ASP A 55 13.470 -5.008 5.163 1.00 0.00 H new ATOM 0 HA ASP A 55 14.222 -7.618 6.229 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.819 -6.392 5.829 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.956 -7.268 4.317 1.00 0.00 H new ATOM 868 N VAL A 56 14.366 -6.818 3.039 1.00 0.00 N ATOM 869 CA VAL A 56 14.919 -7.216 1.752 1.00 0.00 C ATOM 870 C VAL A 56 16.399 -6.866 1.666 1.00 0.00 C ATOM 871 O VAL A 56 17.178 -7.566 1.021 1.00 0.00 O ATOM 872 CB VAL A 56 14.178 -6.534 0.588 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.637 -7.103 -0.745 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.672 -6.684 0.750 1.00 0.00 C ATOM 0 H VAL A 56 13.935 -5.894 3.044 1.00 0.00 H new ATOM 0 HA VAL A 56 14.793 -8.296 1.671 1.00 0.00 H new ATOM 0 HB VAL A 56 14.417 -5.471 0.604 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.102 -6.608 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.708 -6.936 -0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.431 -8.173 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.166 -6.195 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.411 -7.742 0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.359 -6.222 1.686 1.00 0.00 H new ATOM 884 N GLY A 57 16.774 -5.773 2.320 1.00 0.00 N ATOM 885 CA GLY A 57 18.159 -5.339 2.307 1.00 0.00 C ATOM 886 C GLY A 57 18.515 -4.574 1.047 1.00 0.00 C ATOM 887 O GLY A 57 19.688 -4.466 0.690 1.00 0.00 O ATOM 0 H GLY A 57 16.144 -5.179 2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.347 -4.709 3.176 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.810 -6.209 2.397 1.00 0.00 H new ATOM 891 N SER A 58 17.501 -4.044 0.370 1.00 0.00 N ATOM 892 CA SER A 58 17.714 -3.285 -0.856 1.00 0.00 C ATOM 893 C SER A 58 16.933 -1.977 -0.828 1.00 0.00 C ATOM 894 O SER A 58 16.005 -1.813 -0.036 1.00 0.00 O ATOM 895 CB SER A 58 17.298 -4.117 -2.072 1.00 0.00 C ATOM 896 OG SER A 58 17.774 -5.447 -1.966 1.00 0.00 O ATOM 0 H SER A 58 16.524 -4.127 0.650 1.00 0.00 H new ATOM 0 HA SER A 58 18.776 -3.050 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.211 -4.122 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.688 -3.659 -2.981 1.00 0.00 H new ATOM 0 HG SER A 58 18.362 -5.645 -2.724 1.00 0.00 H new ATOM 902 N THR A 59 17.315 -1.046 -1.696 1.00 0.00 N ATOM 903 CA THR A 59 16.649 0.249 -1.770 1.00 0.00 C ATOM 904 C THR A 59 15.339 0.139 -2.542 1.00 0.00 C ATOM 905 O THR A 59 15.300 -0.416 -3.641 1.00 0.00 O ATOM 906 CB THR A 59 17.564 1.282 -2.432 1.00 0.00 C ATOM 907 OG1 THR A 59 18.611 0.646 -3.143 1.00 0.00 O ATOM 908 CG2 THR A 59 18.195 2.239 -1.444 1.00 0.00 C ATOM 0 H THR A 59 18.082 -1.164 -2.358 1.00 0.00 H new ATOM 0 HA THR A 59 16.426 0.575 -0.754 1.00 0.00 H new ATOM 0 HB THR A 59 16.920 1.849 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.183 1.324 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.831 2.945 -1.977 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.413 2.783 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.796 1.679 -0.728 1.00 0.00 H new ATOM 916 N ILE A 60 14.267 0.669 -1.963 1.00 0.00 N ATOM 917 CA ILE A 60 12.958 0.629 -2.600 1.00 0.00 C ATOM 918 C ILE A 60 12.793 1.784 -3.589 1.00 0.00 C ATOM 919 O ILE A 60 13.022 2.942 -3.240 1.00 0.00 O ATOM 920 CB ILE A 60 11.823 0.682 -1.556 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.479 0.374 -2.217 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.783 2.039 -0.866 1.00 0.00 C ATOM 923 CD1 ILE A 60 10.055 -1.072 -2.077 1.00 0.00 C ATOM 0 H ILE A 60 14.280 1.131 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 60 12.894 -0.315 -3.140 1.00 0.00 H new ATOM 0 HB ILE A 60 12.019 -0.076 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.713 1.013 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.537 0.626 -3.276 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.975 2.052 -0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.732 2.219 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.613 2.819 -1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.093 -1.218 -2.569 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.802 -1.717 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.964 -1.324 -1.020 1.00 0.00 H new ATOM 935 N PRO A 61 12.395 1.491 -4.844 1.00 0.00 N ATOM 936 CA PRO A 61 12.208 2.509 -5.874 1.00 0.00 C ATOM 937 C PRO A 61 10.821 3.148 -5.832 1.00 0.00 C ATOM 938 O PRO A 61 10.335 3.655 -6.844 1.00 0.00 O ATOM 939 CB PRO A 61 12.396 1.733 -7.188 1.00 0.00 C ATOM 940 CG PRO A 61 12.484 0.279 -6.822 1.00 0.00 C ATOM 941 CD PRO A 61 12.103 0.156 -5.370 1.00 0.00 C ATOM 0 HA PRO A 61 12.904 3.338 -5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.561 1.912 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.300 2.058 -7.703 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.816 -0.315 -7.446 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.493 -0.098 -6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.052 -0.106 -5.248 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.684 -0.614 -4.863 1.00 0.00 H new ATOM 949 N TYR A 62 10.187 3.123 -4.664 1.00 0.00 N ATOM 950 CA TYR A 62 8.859 3.704 -4.508 1.00 0.00 C ATOM 951 C TYR A 62 8.942 5.103 -3.908 1.00 0.00 C ATOM 952 O TYR A 62 9.748 5.359 -3.013 1.00 0.00 O ATOM 953 CB TYR A 62 7.990 2.809 -3.624 1.00 0.00 C ATOM 954 CG TYR A 62 7.545 1.536 -4.306 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.027 1.560 -5.595 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.643 0.309 -3.662 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.619 0.399 -6.221 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.237 -0.857 -4.281 1.00 0.00 C ATOM 959 CZ TYR A 62 6.727 -0.807 -5.561 1.00 0.00 C ATOM 960 OH TYR A 62 6.322 -1.966 -6.181 1.00 0.00 O ATOM 0 H TYR A 62 10.570 2.708 -3.815 1.00 0.00 H new ATOM 0 HA TYR A 62 8.405 3.780 -5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.546 2.553 -2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.110 3.369 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.942 2.502 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.044 0.266 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.217 0.435 -7.223 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.319 -1.802 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 62 7.031 -2.639 -6.112 1.00 0.00 H new ATOM 970 N ASP A 63 8.104 6.005 -4.408 1.00 0.00 N ATOM 971 CA ASP A 63 8.082 7.380 -3.922 1.00 0.00 C ATOM 972 C ASP A 63 7.092 7.534 -2.772 1.00 0.00 C ATOM 973 O ASP A 63 5.928 7.148 -2.887 1.00 0.00 O ATOM 974 CB ASP A 63 7.717 8.337 -5.058 1.00 0.00 C ATOM 975 CG ASP A 63 8.740 8.323 -6.177 1.00 0.00 C ATOM 976 OD1 ASP A 63 8.753 7.348 -6.958 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.530 9.285 -6.271 1.00 0.00 O ATOM 0 H ASP A 63 7.431 5.809 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 63 9.078 7.627 -3.555 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.740 8.065 -5.459 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.629 9.349 -4.663 1.00 0.00 H new ATOM 982 N PHE A 64 7.561 8.100 -1.665 1.00 0.00 N ATOM 983 CA PHE A 64 6.715 8.303 -0.495 1.00 0.00 C ATOM 984 C PHE A 64 7.163 9.532 0.295 1.00 0.00 C ATOM 985 O PHE A 64 8.079 9.451 1.115 1.00 0.00 O ATOM 986 CB PHE A 64 6.750 7.065 0.404 1.00 0.00 C ATOM 987 CG PHE A 64 5.410 6.694 0.970 1.00 0.00 C ATOM 988 CD1 PHE A 64 4.865 7.413 2.023 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.695 5.626 0.452 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.632 7.073 2.547 1.00 0.00 C ATOM 991 CE2 PHE A 64 3.462 5.282 0.973 1.00 0.00 C ATOM 992 CZ PHE A 64 2.930 6.006 2.022 1.00 0.00 C ATOM 0 H PHE A 64 8.521 8.426 -1.554 1.00 0.00 H new ATOM 0 HA PHE A 64 5.694 8.467 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.139 6.222 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.445 7.242 1.225 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.410 8.248 2.438 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.106 5.056 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.218 7.642 3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.915 4.447 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.967 5.738 2.431 1.00 0.00 H new ATOM 1002 N PRO A 65 6.522 10.691 0.060 1.00 0.00 N ATOM 1003 CA PRO A 65 6.864 11.934 0.756 1.00 0.00 C ATOM 1004 C PRO A 65 6.383 11.941 2.204 1.00 0.00 C ATOM 1005 O PRO A 65 5.183 11.864 2.471 1.00 0.00 O ATOM 1006 CB PRO A 65 6.129 13.002 -0.054 1.00 0.00 C ATOM 1007 CG PRO A 65 4.960 12.291 -0.640 1.00 0.00 C ATOM 1008 CD PRO A 65 5.417 10.881 -0.901 1.00 0.00 C ATOM 0 HA PRO A 65 7.942 12.086 0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.812 13.831 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.769 13.420 -0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.112 12.305 0.045 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.634 12.772 -1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.614 10.162 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.754 10.753 -1.930 1.00 0.00 H new ATOM 1258 N TYR A 79 -6.000 15.584 8.393 1.00 0.00 N ATOM 1259 CA TYR A 79 -5.959 14.324 7.659 1.00 0.00 C ATOM 1260 C TYR A 79 -7.300 14.030 6.990 1.00 0.00 C ATOM 1261 O TYR A 79 -7.376 13.222 6.066 1.00 0.00 O ATOM 1262 CB TYR A 79 -5.576 13.175 8.594 1.00 0.00 C ATOM 1263 CG TYR A 79 -6.522 12.994 9.761 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -6.334 13.692 10.947 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -7.601 12.123 9.677 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -7.194 13.528 12.016 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -8.466 11.953 10.741 1.00 0.00 C ATOM 1268 CZ TYR A 79 -8.258 12.657 11.908 1.00 0.00 C ATOM 1269 OH TYR A 79 -9.116 12.491 12.971 1.00 0.00 O ATOM 0 HA TYR A 79 -5.203 14.416 6.879 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.541 12.249 8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.571 13.351 8.977 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.502 14.374 11.035 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.767 11.569 8.765 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.034 14.079 12.931 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.300 11.272 10.659 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.267 11.535 13.124 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.357 14.689 7.460 1.00 0.00 N ATOM 1280 CA ASP A 80 -9.691 14.491 6.900 1.00 0.00 C ATOM 1281 C ASP A 80 -10.002 15.536 5.831 1.00 0.00 C ATOM 1282 O ASP A 80 -11.167 15.787 5.522 1.00 0.00 O ATOM 1283 CB ASP A 80 -10.747 14.550 8.005 1.00 0.00 C ATOM 1284 CG ASP A 80 -10.374 13.710 9.209 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -10.656 12.492 9.196 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -9.800 14.268 10.168 1.00 0.00 O ATOM 0 H ASP A 80 -8.316 15.363 8.225 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.713 13.506 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.884 15.585 8.317 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.703 14.207 7.609 1.00 0.00 H new ATOM 1291 N ASP A 81 -8.961 16.142 5.269 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.135 17.156 4.235 1.00 0.00 C ATOM 1293 C ASP A 81 -9.281 16.507 2.858 1.00 0.00 C ATOM 1294 O ASP A 81 -8.335 15.912 2.344 1.00 0.00 O ATOM 1295 CB ASP A 81 -7.947 18.120 4.233 1.00 0.00 C ATOM 1296 CG ASP A 81 -8.219 19.373 5.043 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.163 20.112 4.694 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -7.488 19.614 6.027 1.00 0.00 O ATOM 0 H ASP A 81 -7.989 15.949 5.512 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.046 17.713 4.454 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.070 17.613 4.636 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.710 18.399 3.206 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.472 16.613 2.238 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.724 16.030 0.915 1.00 0.00 C ATOM 1305 C PRO A 82 -9.660 16.426 -0.104 1.00 0.00 C ATOM 1306 O PRO A 82 -9.306 15.640 -0.983 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.083 16.612 0.523 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.755 16.908 1.818 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.662 17.304 2.772 1.00 0.00 C ATOM 0 HA PRO A 82 -10.704 14.940 0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.969 17.513 -0.079 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.661 15.903 -0.070 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.484 17.711 1.705 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.296 16.036 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.522 18.385 2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.885 16.989 3.791 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.152 17.649 0.021 1.00 0.00 N ATOM 1318 CA GLU A 83 -8.127 18.146 -0.889 1.00 0.00 C ATOM 1319 C GLU A 83 -6.892 17.253 -0.852 1.00 0.00 C ATOM 1320 O GLU A 83 -6.301 16.949 -1.888 1.00 0.00 O ATOM 1321 CB GLU A 83 -7.743 19.582 -0.523 1.00 0.00 C ATOM 1322 CG GLU A 83 -8.643 20.632 -1.153 1.00 0.00 C ATOM 1323 CD GLU A 83 -8.350 20.842 -2.627 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -8.651 19.932 -3.428 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -7.820 21.918 -2.979 1.00 0.00 O ATOM 0 H GLU A 83 -9.434 18.312 0.743 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.535 18.133 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.774 19.692 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.714 19.764 -0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.684 20.333 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.519 21.577 -0.623 1.00 0.00 H new ATOM 1332 N MET A 84 -6.510 16.832 0.349 1.00 0.00 N ATOM 1333 CA MET A 84 -5.347 15.969 0.523 1.00 0.00 C ATOM 1334 C MET A 84 -5.721 14.509 0.291 1.00 0.00 C ATOM 1335 O MET A 84 -4.912 13.719 -0.193 1.00 0.00 O ATOM 1336 CB MET A 84 -4.763 16.141 1.927 1.00 0.00 C ATOM 1337 CG MET A 84 -3.482 15.355 2.152 1.00 0.00 C ATOM 1338 SD MET A 84 -3.233 14.916 3.883 1.00 0.00 S ATOM 1339 CE MET A 84 -4.747 14.025 4.228 1.00 0.00 C ATOM 0 H MET A 84 -6.989 17.074 1.216 1.00 0.00 H new ATOM 0 HA MET A 84 -4.595 16.257 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.566 17.199 2.103 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.505 15.828 2.661 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.507 14.446 1.551 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.633 15.944 1.805 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.559 13.270 4.991 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.506 14.721 4.585 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.100 13.540 3.318 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.957 14.161 0.637 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.444 12.799 0.466 1.00 0.00 C ATOM 1351 C ILE A 85 -7.522 12.435 -1.017 1.00 0.00 C ATOM 1352 O ILE A 85 -7.329 11.278 -1.392 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.833 12.618 1.125 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.690 12.563 2.649 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.528 11.365 0.609 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.600 13.527 3.377 1.00 0.00 C ATOM 0 H ILE A 85 -7.639 14.805 1.038 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.737 12.131 0.958 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.451 13.476 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.902 11.549 2.989 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.656 12.780 2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.501 11.264 1.090 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.663 11.442 -0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.918 10.491 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.445 13.433 4.452 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.374 14.547 3.066 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.639 13.297 3.139 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.803 13.429 -1.852 1.00 0.00 N ATOM 1369 CA ASP A 86 -7.904 13.214 -3.293 1.00 0.00 C ATOM 1370 C ASP A 86 -6.635 12.561 -3.834 1.00 0.00 C ATOM 1371 O ASP A 86 -6.672 11.445 -4.351 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.158 14.541 -4.012 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.627 14.759 -4.316 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -10.388 15.070 -3.376 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.016 14.621 -5.495 1.00 0.00 O ATOM 0 H ASP A 86 -7.965 14.392 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.743 12.544 -3.479 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.791 15.362 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.590 14.562 -4.942 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.511 13.262 -3.709 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.234 12.744 -4.181 1.00 0.00 C ATOM 1382 C GLU A 87 -3.870 11.462 -3.443 1.00 0.00 C ATOM 1383 O GLU A 87 -3.310 10.534 -4.025 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.131 13.789 -3.991 1.00 0.00 C ATOM 1385 CG GLU A 87 -2.921 14.680 -5.204 1.00 0.00 C ATOM 1386 CD GLU A 87 -1.464 15.042 -5.415 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -0.986 15.990 -4.756 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -0.800 14.379 -6.239 1.00 0.00 O ATOM 0 H GLU A 87 -5.461 14.188 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.328 12.520 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.377 14.412 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.196 13.280 -3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.298 14.173 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.505 15.593 -5.086 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.199 11.414 -2.157 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.914 10.241 -1.340 1.00 0.00 C ATOM 1397 C ARG A 88 -4.635 9.014 -1.890 1.00 0.00 C ATOM 1398 O ARG A 88 -4.209 7.881 -1.665 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.335 10.490 0.110 1.00 0.00 C ATOM 1400 CG ARG A 88 -3.312 11.277 0.914 1.00 0.00 C ATOM 1401 CD ARG A 88 -2.622 10.406 1.953 1.00 0.00 C ATOM 1402 NE ARG A 88 -2.518 11.075 3.248 1.00 0.00 N ATOM 1403 CZ ARG A 88 -1.587 11.981 3.542 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -0.683 12.333 2.636 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -1.562 12.538 4.745 1.00 0.00 N ATOM 0 H ARG A 88 -4.663 12.173 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.840 10.055 -1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.283 11.029 0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.509 9.531 0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.567 11.699 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.804 12.114 1.410 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.175 9.474 2.070 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.625 10.142 1.600 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.198 10.834 3.969 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -0.699 11.909 1.708 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.027 13.027 2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.255 12.273 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.849 13.232 4.971 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.727 9.247 -2.613 1.00 0.00 N ATOM 1420 CA ARG A 89 -6.505 8.161 -3.196 1.00 0.00 C ATOM 1421 C ARG A 89 -5.687 7.404 -4.237 1.00 0.00 C ATOM 1422 O ARG A 89 -5.879 6.205 -4.438 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.786 8.706 -3.831 1.00 0.00 C ATOM 1424 CG ARG A 89 -9.027 7.899 -3.484 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.976 7.791 -4.667 1.00 0.00 C ATOM 1426 NE ARG A 89 -9.625 6.682 -5.553 1.00 0.00 N ATOM 1427 CZ ARG A 89 -8.933 6.816 -6.684 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -8.513 8.010 -7.083 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -8.662 5.747 -7.422 1.00 0.00 N ATOM 0 H ARG A 89 -6.092 10.179 -2.809 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.772 7.469 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.931 9.737 -3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.666 8.724 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.733 6.900 -3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.543 8.367 -2.645 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.995 7.656 -4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.960 8.724 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.930 5.745 -5.288 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -8.719 8.837 -6.522 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -7.984 8.101 -7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -8.983 4.826 -7.123 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.133 5.846 -8.288 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.771 8.109 -4.896 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.925 7.492 -5.912 1.00 0.00 C ATOM 1445 C ILE A 90 -2.475 7.421 -5.447 1.00 0.00 C ATOM 1446 O ILE A 90 -2.051 8.188 -4.582 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.987 8.240 -7.266 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -4.120 9.754 -7.065 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -5.141 7.713 -8.104 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -2.817 10.438 -6.712 1.00 0.00 C ATOM 0 H ILE A 90 -4.597 9.103 -4.745 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.313 6.484 -6.061 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.051 8.057 -7.794 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.518 10.199 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.846 9.944 -6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.174 8.247 -9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.999 6.649 -8.291 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.078 7.865 -7.569 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.990 11.507 -6.585 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.427 10.021 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.094 10.280 -7.513 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.721 6.490 -6.021 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.329 6.329 -5.650 1.00 0.00 C ATOM 1464 C GLY A 91 -0.094 5.080 -4.824 1.00 0.00 C ATOM 1465 O GLY A 91 0.974 4.472 -4.894 1.00 0.00 O ATOM 0 H GLY A 91 -2.050 5.843 -6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.282 6.286 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.003 7.202 -5.085 1.00 0.00 H new ATOM 1469 N LEU A 92 -1.097 4.694 -4.041 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.996 3.507 -3.199 1.00 0.00 C ATOM 1471 C LEU A 92 -1.013 2.241 -4.049 1.00 0.00 C ATOM 1472 O LEU A 92 -0.138 1.384 -3.921 1.00 0.00 O ATOM 1473 CB LEU A 92 -2.143 3.472 -2.187 1.00 0.00 C ATOM 1474 CG LEU A 92 -2.338 4.761 -1.385 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.685 4.750 -0.679 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -1.209 4.938 -0.380 1.00 0.00 C ATOM 0 H LEU A 92 -1.988 5.186 -3.972 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.050 3.552 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.069 3.248 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.968 2.652 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.319 5.604 -2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.807 5.674 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.482 4.669 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.732 3.899 0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.363 5.859 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.197 4.092 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.257 4.990 -0.908 1.00 0.00 H new ATOM 1488 N GLU A 93 -2.013 2.130 -4.918 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.142 0.970 -5.792 1.00 0.00 C ATOM 1490 C GLU A 93 -0.902 0.807 -6.666 1.00 0.00 C ATOM 1491 O GLU A 93 -0.559 -0.302 -7.075 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.387 1.102 -6.670 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.382 2.344 -7.548 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.279 3.441 -7.009 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -4.216 3.717 -5.793 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -5.046 4.023 -7.804 1.00 0.00 O ATOM 0 H GLU A 93 -2.746 2.830 -5.035 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.242 0.083 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.470 0.219 -7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.271 1.121 -6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.363 2.721 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.706 2.075 -8.553 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.230 1.920 -6.946 1.00 0.00 N ATOM 1504 CA ARG A 94 0.974 1.899 -7.769 1.00 0.00 C ATOM 1505 C ARG A 94 2.128 1.249 -7.014 1.00 0.00 C ATOM 1506 O ARG A 94 2.950 0.544 -7.600 1.00 0.00 O ATOM 1507 CB ARG A 94 1.360 3.321 -8.187 1.00 0.00 C ATOM 1508 CG ARG A 94 0.196 4.138 -8.726 1.00 0.00 C ATOM 1509 CD ARG A 94 -0.209 3.684 -10.118 1.00 0.00 C ATOM 1510 NE ARG A 94 0.801 4.020 -11.118 1.00 0.00 N ATOM 1511 CZ ARG A 94 1.049 5.260 -11.533 1.00 0.00 C ATOM 1512 NH1 ARG A 94 0.363 6.283 -11.038 1.00 0.00 N ATOM 1513 NH2 ARG A 94 1.987 5.479 -12.446 1.00 0.00 N ATOM 0 H ARG A 94 -0.499 2.847 -6.615 1.00 0.00 H new ATOM 0 HA ARG A 94 0.765 1.312 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.789 3.838 -7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.138 3.268 -8.948 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.655 4.048 -8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.472 5.192 -8.752 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.372 2.606 -10.115 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.157 4.149 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 94 1.348 3.260 -11.522 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.359 6.121 -10.336 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.558 7.231 -11.360 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.518 4.697 -12.830 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.177 6.429 -12.764 1.00 0.00 H new ATOM 1527 N PHE A 95 2.181 1.490 -5.707 1.00 0.00 N ATOM 1528 CA PHE A 95 3.229 0.929 -4.863 1.00 0.00 C ATOM 1529 C PHE A 95 3.101 -0.590 -4.778 1.00 0.00 C ATOM 1530 O PHE A 95 4.098 -1.299 -4.640 1.00 0.00 O ATOM 1531 CB PHE A 95 3.155 1.543 -3.461 1.00 0.00 C ATOM 1532 CG PHE A 95 4.196 1.024 -2.510 1.00 0.00 C ATOM 1533 CD1 PHE A 95 4.093 -0.253 -1.979 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.274 1.813 -2.142 1.00 0.00 C ATOM 1535 CE1 PHE A 95 5.046 -0.731 -1.099 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.230 1.340 -1.263 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.116 0.067 -0.741 1.00 0.00 C ATOM 0 H PHE A 95 1.508 2.072 -5.209 1.00 0.00 H new ATOM 0 HA PHE A 95 4.195 1.167 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.260 2.625 -3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.167 1.350 -3.043 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.259 -0.881 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.368 2.810 -2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.954 -1.727 -0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.065 1.966 -0.985 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.862 -0.305 -0.054 1.00 0.00 H new ATOM 1547 N LEU A 96 1.869 -1.081 -4.865 1.00 0.00 N ATOM 1548 CA LEU A 96 1.609 -2.515 -4.798 1.00 0.00 C ATOM 1549 C LEU A 96 1.705 -3.155 -6.180 1.00 0.00 C ATOM 1550 O LEU A 96 2.071 -4.323 -6.310 1.00 0.00 O ATOM 1551 CB LEU A 96 0.225 -2.777 -4.202 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.029 -2.129 -2.840 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.481 -2.312 -2.428 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.904 -2.713 -1.790 1.00 0.00 C ATOM 0 H LEU A 96 1.034 -0.507 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 96 2.367 -2.963 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.529 -2.419 -4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.086 -3.854 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 96 0.173 -1.061 -2.921 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.645 -1.845 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.131 -1.846 -3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.709 -3.376 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.709 -2.240 -0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.734 -3.786 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.939 -2.531 -2.081 1.00 0.00 H new ATOM 1566 N ASN A 97 1.364 -2.386 -7.210 1.00 0.00 N ATOM 1567 CA ASN A 97 1.405 -2.883 -8.582 1.00 0.00 C ATOM 1568 C ASN A 97 2.786 -3.431 -8.932 1.00 0.00 C ATOM 1569 O ASN A 97 2.932 -4.608 -9.261 1.00 0.00 O ATOM 1570 CB ASN A 97 1.023 -1.770 -9.561 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.412 -1.887 -10.037 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.670 -2.162 -11.208 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.357 -1.679 -9.126 1.00 0.00 N ATOM 0 H ASN A 97 1.057 -1.418 -7.121 1.00 0.00 H new ATOM 0 HA ASN A 97 0.685 -3.697 -8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.166 -0.802 -9.080 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.692 -1.801 -10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.341 -1.745 -9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.099 -1.453 -8.165 1.00 0.00 H new ATOM 1580 N GLU A 98 3.797 -2.571 -8.861 1.00 0.00 N ATOM 1581 CA GLU A 98 5.165 -2.971 -9.175 1.00 0.00 C ATOM 1582 C GLU A 98 5.706 -3.966 -8.147 1.00 0.00 C ATOM 1583 O GLU A 98 6.713 -4.630 -8.390 1.00 0.00 O ATOM 1584 CB GLU A 98 6.074 -1.742 -9.239 1.00 0.00 C ATOM 1585 CG GLU A 98 7.515 -2.069 -9.595 1.00 0.00 C ATOM 1586 CD GLU A 98 8.113 -1.076 -10.572 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.496 -0.840 -11.632 1.00 0.00 O ATOM 1588 OE2 GLU A 98 9.199 -0.534 -10.278 1.00 0.00 O ATOM 0 H GLU A 98 3.695 -1.593 -8.589 1.00 0.00 H new ATOM 0 HA GLU A 98 5.153 -3.462 -10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.676 -1.044 -9.976 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.053 -1.234 -8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.116 -2.085 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.561 -3.069 -10.025 1.00 0.00 H new ATOM 1595 N LEU A 99 5.038 -4.064 -7.001 1.00 0.00 N ATOM 1596 CA LEU A 99 5.465 -4.979 -5.948 1.00 0.00 C ATOM 1597 C LEU A 99 4.889 -6.375 -6.158 1.00 0.00 C ATOM 1598 O LEU A 99 5.631 -7.345 -6.308 1.00 0.00 O ATOM 1599 CB LEU A 99 5.048 -4.448 -4.580 1.00 0.00 C ATOM 1600 CG LEU A 99 5.686 -5.176 -3.400 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.088 -4.193 -2.315 1.00 0.00 C ATOM 1602 CD2 LEU A 99 4.738 -6.226 -2.853 1.00 0.00 C ATOM 0 H LEU A 99 4.202 -3.523 -6.779 1.00 0.00 H new ATOM 0 HA LEU A 99 6.552 -5.048 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.305 -3.390 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.964 -4.518 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 99 6.588 -5.677 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.541 -4.734 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.807 -3.480 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.206 -3.659 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.207 -6.737 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.818 -5.747 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.507 -6.950 -3.634 1.00 0.00 H new ATOM 1614 N TYR A 100 3.564 -6.471 -6.160 1.00 0.00 N ATOM 1615 CA TYR A 100 2.894 -7.753 -6.347 1.00 0.00 C ATOM 1616 C TYR A 100 3.100 -8.283 -7.764 1.00 0.00 C ATOM 1617 O TYR A 100 3.019 -9.488 -8.001 1.00 0.00 O ATOM 1618 CB TYR A 100 1.399 -7.620 -6.045 1.00 0.00 C ATOM 1619 CG TYR A 100 1.097 -7.183 -4.625 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.963 -7.489 -3.581 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.054 -6.465 -4.330 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.689 -7.091 -2.286 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.335 -6.063 -3.038 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.539 -6.379 -2.020 1.00 0.00 C ATOM 1625 OH TYR A 100 0.262 -5.980 -0.733 1.00 0.00 O ATOM 0 H TYR A 100 2.934 -5.679 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 100 3.335 -8.467 -5.652 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.961 -6.901 -6.737 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.914 -8.578 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.865 -8.047 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.742 -6.216 -5.124 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.372 -7.337 -1.487 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.235 -5.504 -2.827 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.585 -5.488 -0.718 1.00 0.00 H new ATOM 1635 N ASN A 101 3.373 -7.381 -8.701 1.00 0.00 N ATOM 1636 CA ASN A 101 3.596 -7.766 -10.090 1.00 0.00 C ATOM 1637 C ASN A 101 5.076 -8.044 -10.341 1.00 0.00 C ATOM 1638 O ASN A 101 5.677 -7.488 -11.261 1.00 0.00 O ATOM 1639 CB ASN A 101 3.100 -6.669 -11.032 1.00 0.00 C ATOM 1640 CG ASN A 101 2.795 -7.194 -12.422 1.00 0.00 C ATOM 1641 OD1 ASN A 101 3.261 -8.265 -12.810 1.00 0.00 O ATOM 1642 ND2 ASN A 101 2.011 -6.437 -13.180 1.00 0.00 N ATOM 0 H ASN A 101 3.445 -6.379 -8.524 1.00 0.00 H new ATOM 0 HA ASN A 101 3.034 -8.679 -10.286 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.202 -6.213 -10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.854 -5.884 -11.100 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.773 -6.736 -14.125 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.647 -5.556 -12.817 1.00 0.00 H new ATOM 1649 N ASP A 102 5.657 -8.904 -9.513 1.00 0.00 N ATOM 1650 CA ASP A 102 7.067 -9.256 -9.636 1.00 0.00 C ATOM 1651 C ASP A 102 7.354 -9.928 -10.975 1.00 0.00 C ATOM 1652 O ASP A 102 6.483 -10.577 -11.554 1.00 0.00 O ATOM 1653 CB ASP A 102 7.482 -10.183 -8.491 1.00 0.00 C ATOM 1654 CG ASP A 102 6.510 -11.331 -8.296 1.00 0.00 C ATOM 1655 OD1 ASP A 102 5.428 -11.100 -7.716 1.00 0.00 O ATOM 1656 OD2 ASP A 102 6.830 -12.459 -8.724 1.00 0.00 O ATOM 0 H ASP A 102 5.172 -9.372 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 102 7.648 -8.335 -9.584 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.476 -10.582 -8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.551 -9.608 -7.568 1.00 0.00 H new ATOM 1661 N ARG A 103 8.583 -9.770 -11.456 1.00 0.00 N ATOM 1662 CA ARG A 103 8.992 -10.363 -12.723 1.00 0.00 C ATOM 1663 C ARG A 103 10.203 -11.269 -12.528 1.00 0.00 C ATOM 1664 O ARG A 103 10.110 -12.489 -12.677 1.00 0.00 O ATOM 1665 CB ARG A 103 9.317 -9.268 -13.742 1.00 0.00 C ATOM 1666 CG ARG A 103 8.140 -8.358 -14.054 1.00 0.00 C ATOM 1667 CD ARG A 103 7.174 -9.012 -15.030 1.00 0.00 C ATOM 1668 NE ARG A 103 6.383 -10.064 -14.396 1.00 0.00 N ATOM 1669 CZ ARG A 103 5.740 -11.015 -15.069 1.00 0.00 C ATOM 1670 NH1 ARG A 103 5.792 -11.050 -16.394 1.00 0.00 N ATOM 1671 NH2 ARG A 103 5.044 -11.934 -14.414 1.00 0.00 N ATOM 0 H ARG A 103 9.314 -9.235 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 103 8.165 -10.965 -13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.142 -8.664 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 103 9.660 -9.733 -14.666 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.615 -8.111 -13.131 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.505 -7.421 -14.474 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.507 -8.255 -15.442 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.733 -9.433 -15.866 1.00 0.00 H new ATOM 0 HE ARG A 103 6.320 -10.070 -13.378 1.00 0.00 H new ATOM 0 HH11 ARG A 103 6.327 -10.346 -16.902 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.297 -11.781 -16.905 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.002 -11.912 -13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.551 -12.663 -14.929 1.00 0.00 H new ATOM 1685 N PHE A 104 11.338 -10.666 -12.190 1.00 0.00 N ATOM 1686 CA PHE A 104 12.569 -11.417 -11.968 1.00 0.00 C ATOM 1687 C PHE A 104 12.927 -11.444 -10.486 1.00 0.00 C ATOM 1688 O PHE A 104 13.538 -12.396 -10.000 1.00 0.00 O ATOM 1689 CB PHE A 104 13.717 -10.803 -12.770 1.00 0.00 C ATOM 1690 CG PHE A 104 13.574 -10.975 -14.255 1.00 0.00 C ATOM 1691 CD1 PHE A 104 12.652 -10.225 -14.967 1.00 0.00 C ATOM 1692 CD2 PHE A 104 14.362 -11.887 -14.940 1.00 0.00 C ATOM 1693 CE1 PHE A 104 12.517 -10.381 -16.333 1.00 0.00 C ATOM 1694 CE2 PHE A 104 14.233 -12.047 -16.305 1.00 0.00 C ATOM 1695 CZ PHE A 104 13.309 -11.294 -17.004 1.00 0.00 C ATOM 0 H PHE A 104 11.431 -9.658 -12.064 1.00 0.00 H new ATOM 0 HA PHE A 104 12.407 -12.441 -12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 104 13.781 -9.739 -12.541 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.655 -11.255 -12.449 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.031 -9.510 -14.448 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.085 -12.479 -14.399 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.794 -9.791 -16.876 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.854 -12.760 -16.826 1.00 0.00 H new ATOM 0 HZ PHE A 104 13.206 -11.418 -18.072 1.00 0.00 H new ATOM 1705 N ASP A 105 12.542 -10.391 -9.773 1.00 0.00 N ATOM 1706 CA ASP A 105 12.818 -10.287 -8.344 1.00 0.00 C ATOM 1707 C ASP A 105 11.534 -10.013 -7.570 1.00 0.00 C ATOM 1708 O ASP A 105 10.978 -8.916 -7.639 1.00 0.00 O ATOM 1709 CB ASP A 105 13.838 -9.176 -8.078 1.00 0.00 C ATOM 1710 CG ASP A 105 14.939 -9.133 -9.121 1.00 0.00 C ATOM 1711 OD1 ASP A 105 15.712 -10.109 -9.210 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.029 -8.120 -9.847 1.00 0.00 O ATOM 0 H ASP A 105 12.036 -9.595 -10.162 1.00 0.00 H new ATOM 0 HA ASP A 105 13.234 -11.236 -8.005 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.325 -8.214 -8.057 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.281 -9.323 -7.093 1.00 0.00 H new ATOM 1717 N SER A 106 11.060 -11.018 -6.840 1.00 0.00 N ATOM 1718 CA SER A 106 9.834 -10.884 -6.063 1.00 0.00 C ATOM 1719 C SER A 106 10.122 -10.824 -4.567 1.00 0.00 C ATOM 1720 O SER A 106 9.261 -11.146 -3.749 1.00 0.00 O ATOM 1721 CB SER A 106 8.890 -12.048 -6.360 1.00 0.00 C ATOM 1722 OG SER A 106 9.452 -13.280 -5.944 1.00 0.00 O ATOM 0 H SER A 106 11.506 -11.933 -6.771 1.00 0.00 H new ATOM 0 HA SER A 106 9.360 -9.947 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.939 -11.888 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.677 -12.084 -7.428 1.00 0.00 H new ATOM 0 HG SER A 106 9.171 -13.474 -5.025 1.00 0.00 H new ATOM 1728 N ARG A 107 11.329 -10.404 -4.209 1.00 0.00 N ATOM 1729 CA ARG A 107 11.706 -10.300 -2.802 1.00 0.00 C ATOM 1730 C ARG A 107 10.830 -9.272 -2.092 1.00 0.00 C ATOM 1731 O ARG A 107 10.615 -9.351 -0.883 1.00 0.00 O ATOM 1732 CB ARG A 107 13.180 -9.909 -2.658 1.00 0.00 C ATOM 1733 CG ARG A 107 14.085 -10.501 -3.727 1.00 0.00 C ATOM 1734 CD ARG A 107 14.615 -9.426 -4.663 1.00 0.00 C ATOM 1735 NE ARG A 107 15.229 -8.319 -3.935 1.00 0.00 N ATOM 1736 CZ ARG A 107 15.457 -7.119 -4.464 1.00 0.00 C ATOM 1737 NH1 ARG A 107 15.126 -6.868 -5.725 1.00 0.00 N ATOM 1738 NH2 ARG A 107 16.019 -6.167 -3.732 1.00 0.00 N ATOM 0 H ARG A 107 12.060 -10.131 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 107 11.558 -11.277 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.262 -8.822 -2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.536 -10.228 -1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.920 -11.017 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.534 -11.246 -4.301 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.348 -9.865 -5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.799 -9.047 -5.278 1.00 0.00 H new ATOM 0 HE ARG A 107 15.499 -8.474 -2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.695 -7.597 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 107 15.303 -5.947 -6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.277 -6.354 -2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 107 16.194 -5.248 -4.138 1.00 0.00 H new ATOM 1752 N TRP A 108 10.337 -8.303 -2.857 1.00 0.00 N ATOM 1753 CA TRP A 108 9.491 -7.248 -2.313 1.00 0.00 C ATOM 1754 C TRP A 108 8.100 -7.769 -1.959 1.00 0.00 C ATOM 1755 O TRP A 108 7.485 -7.308 -0.997 1.00 0.00 O ATOM 1756 CB TRP A 108 9.378 -6.096 -3.314 1.00 0.00 C ATOM 1757 CG TRP A 108 10.706 -5.521 -3.702 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.328 -5.635 -4.911 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.579 -4.744 -2.873 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.534 -4.976 -4.885 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.711 -4.421 -3.645 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.512 -4.290 -1.553 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.766 -3.665 -3.140 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.560 -3.540 -1.053 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.672 -3.233 -1.845 1.00 0.00 C ATOM 0 H TRP A 108 10.510 -8.227 -3.859 1.00 0.00 H new ATOM 0 HA TRP A 108 9.957 -6.888 -1.396 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.867 -6.450 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.760 -5.308 -2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.931 -6.165 -5.764 1.00 0.00 H new ATOM 0 HE1 TRP A 108 13.191 -4.911 -5.663 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.657 -4.521 -0.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.627 -3.428 -3.748 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.520 -3.185 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.473 -2.643 -1.425 1.00 0.00 H new ATOM 1776 N ARG A 109 7.602 -8.728 -2.736 1.00 0.00 N ATOM 1777 CA ARG A 109 6.282 -9.295 -2.487 1.00 0.00 C ATOM 1778 C ARG A 109 6.381 -10.604 -1.708 1.00 0.00 C ATOM 1779 O ARG A 109 5.395 -11.074 -1.140 1.00 0.00 O ATOM 1780 CB ARG A 109 5.541 -9.522 -3.807 1.00 0.00 C ATOM 1781 CG ARG A 109 6.235 -10.500 -4.740 1.00 0.00 C ATOM 1782 CD ARG A 109 5.728 -11.917 -4.536 1.00 0.00 C ATOM 1783 NE ARG A 109 4.302 -12.038 -4.834 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.694 -13.192 -5.101 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.381 -14.327 -5.105 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.394 -13.211 -5.363 1.00 0.00 N ATOM 0 H ARG A 109 8.090 -9.126 -3.538 1.00 0.00 H new ATOM 0 HA ARG A 109 5.720 -8.582 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.538 -9.890 -3.591 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.427 -8.566 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.069 -10.198 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.311 -10.469 -4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.291 -12.598 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.910 -12.222 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 109 3.739 -11.187 -4.838 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.381 -14.319 -4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.909 -15.208 -5.310 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.860 -12.342 -5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.928 -14.095 -5.568 1.00 0.00 H new ATOM 1800 N ASP A 110 7.575 -11.191 -1.682 1.00 0.00 N ATOM 1801 CA ASP A 110 7.796 -12.445 -0.969 1.00 0.00 C ATOM 1802 C ASP A 110 8.002 -12.200 0.525 1.00 0.00 C ATOM 1803 O ASP A 110 7.798 -13.098 1.342 1.00 0.00 O ATOM 1804 CB ASP A 110 9.007 -13.177 -1.549 1.00 0.00 C ATOM 1805 CG ASP A 110 8.624 -14.142 -2.654 1.00 0.00 C ATOM 1806 OD1 ASP A 110 7.572 -14.802 -2.529 1.00 0.00 O ATOM 1807 OD2 ASP A 110 9.378 -14.239 -3.646 1.00 0.00 O ATOM 0 H ASP A 110 8.403 -10.818 -2.146 1.00 0.00 H new ATOM 0 HA ASP A 110 6.908 -13.065 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.717 -12.447 -1.938 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.514 -13.723 -0.753 1.00 0.00 H new ATOM 1812 N THR A 111 8.409 -10.982 0.877 1.00 0.00 N ATOM 1813 CA THR A 111 8.644 -10.625 2.270 1.00 0.00 C ATOM 1814 C THR A 111 7.409 -10.895 3.125 1.00 0.00 C ATOM 1815 O THR A 111 6.278 -10.699 2.681 1.00 0.00 O ATOM 1816 CB THR A 111 9.040 -9.150 2.377 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.184 -8.572 1.092 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.338 -8.938 3.121 1.00 0.00 C ATOM 0 H THR A 111 8.582 -10.226 0.214 1.00 0.00 H new ATOM 0 HA THR A 111 9.459 -11.245 2.643 1.00 0.00 H new ATOM 0 HB THR A 111 8.233 -8.673 2.934 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.961 -8.965 0.642 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.564 -7.872 3.163 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.245 -9.329 4.134 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.143 -9.459 2.604 1.00 0.00 H new ATOM 1826 N LYS A 112 7.635 -11.341 4.358 1.00 0.00 N ATOM 1827 CA LYS A 112 6.543 -11.630 5.277 1.00 0.00 C ATOM 1828 C LYS A 112 5.776 -10.355 5.614 1.00 0.00 C ATOM 1829 O LYS A 112 4.554 -10.372 5.756 1.00 0.00 O ATOM 1830 CB LYS A 112 7.080 -12.276 6.557 1.00 0.00 C ATOM 1831 CG LYS A 112 6.872 -13.781 6.610 1.00 0.00 C ATOM 1832 CD LYS A 112 8.160 -14.513 6.959 1.00 0.00 C ATOM 1833 CE LYS A 112 9.071 -14.650 5.749 1.00 0.00 C ATOM 1834 NZ LYS A 112 10.211 -13.694 5.802 1.00 0.00 N ATOM 0 H LYS A 112 8.565 -11.509 4.742 1.00 0.00 H new ATOM 0 HA LYS A 112 5.861 -12.328 4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.145 -12.061 6.644 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.592 -11.819 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.107 -14.017 7.349 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.503 -14.132 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 112 8.683 -13.974 7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 112 7.923 -15.502 7.350 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.454 -15.669 5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 112 8.495 -14.478 4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.958 -14.008 5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.883 -12.747 5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.589 -13.658 6.770 1.00 0.00 H new ATOM 1848 N ILE A 113 6.505 -9.250 5.735 1.00 0.00 N ATOM 1849 CA ILE A 113 5.898 -7.963 6.048 1.00 0.00 C ATOM 1850 C ILE A 113 4.877 -7.573 4.985 1.00 0.00 C ATOM 1851 O ILE A 113 3.822 -7.019 5.294 1.00 0.00 O ATOM 1852 CB ILE A 113 6.961 -6.850 6.150 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.736 -6.736 4.836 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.909 -7.126 7.307 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.830 -5.693 4.865 1.00 0.00 C ATOM 0 H ILE A 113 7.518 -9.221 5.621 1.00 0.00 H new ATOM 0 HA ILE A 113 5.401 -8.070 7.012 1.00 0.00 H new ATOM 0 HB ILE A 113 6.457 -5.902 6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.176 -7.705 4.598 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.039 -6.497 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.653 -6.332 7.365 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.345 -7.164 8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.410 -8.081 7.147 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.336 -5.669 3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.395 -4.715 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.549 -5.942 5.645 1.00 0.00 H new ATOM 1867 N ALA A 114 5.200 -7.871 3.731 1.00 0.00 N ATOM 1868 CA ALA A 114 4.316 -7.556 2.617 1.00 0.00 C ATOM 1869 C ALA A 114 3.046 -8.399 2.672 1.00 0.00 C ATOM 1870 O ALA A 114 1.961 -7.927 2.332 1.00 0.00 O ATOM 1871 CB ALA A 114 5.039 -7.768 1.295 1.00 0.00 C ATOM 0 H ALA A 114 6.069 -8.331 3.461 1.00 0.00 H new ATOM 0 HA ALA A 114 4.028 -6.508 2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.367 -7.529 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.913 -7.119 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.355 -8.808 1.216 1.00 0.00 H new ATOM 1877 N GLN A 115 3.190 -9.648 3.104 1.00 0.00 N ATOM 1878 CA GLN A 115 2.054 -10.556 3.207 1.00 0.00 C ATOM 1879 C GLN A 115 1.102 -10.111 4.312 1.00 0.00 C ATOM 1880 O GLN A 115 -0.118 -10.191 4.164 1.00 0.00 O ATOM 1881 CB GLN A 115 2.536 -11.983 3.476 1.00 0.00 C ATOM 1882 CG GLN A 115 3.491 -12.512 2.418 1.00 0.00 C ATOM 1883 CD GLN A 115 2.808 -13.439 1.431 1.00 0.00 C ATOM 1884 OE1 GLN A 115 2.962 -14.658 1.498 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.050 -12.864 0.505 1.00 0.00 N ATOM 0 H GLN A 115 4.082 -10.054 3.388 1.00 0.00 H new ATOM 0 HA GLN A 115 1.517 -10.535 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.030 -12.014 4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.672 -12.644 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.932 -11.673 1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.309 -13.043 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 115 1.950 -11.849 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 115 1.568 -13.437 -0.187 1.00 0.00 H new ATOM 1894 N ASP A 116 1.666 -9.639 5.419 1.00 0.00 N ATOM 1895 CA ASP A 116 0.867 -9.180 6.549 1.00 0.00 C ATOM 1896 C ASP A 116 0.165 -7.863 6.225 1.00 0.00 C ATOM 1897 O ASP A 116 -0.817 -7.497 6.872 1.00 0.00 O ATOM 1898 CB ASP A 116 1.748 -9.009 7.788 1.00 0.00 C ATOM 1899 CG ASP A 116 1.701 -10.219 8.701 1.00 0.00 C ATOM 1900 OD1 ASP A 116 2.397 -11.213 8.406 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.967 -10.172 9.711 1.00 0.00 O ATOM 0 H ASP A 116 2.674 -9.564 5.557 1.00 0.00 H new ATOM 0 HA ASP A 116 0.107 -9.935 6.752 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.777 -8.831 7.477 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.425 -8.127 8.341 1.00 0.00 H new ATOM 1906 N PHE A 117 0.674 -7.151 5.222 1.00 0.00 N ATOM 1907 CA PHE A 117 0.099 -5.874 4.813 1.00 0.00 C ATOM 1908 C PHE A 117 -1.404 -5.994 4.572 1.00 0.00 C ATOM 1909 O PHE A 117 -2.184 -5.169 5.047 1.00 0.00 O ATOM 1910 CB PHE A 117 0.790 -5.369 3.545 1.00 0.00 C ATOM 1911 CG PHE A 117 0.577 -3.906 3.291 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.156 -2.955 4.116 1.00 0.00 C ATOM 1913 CD2 PHE A 117 -0.200 -3.480 2.225 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.962 -1.607 3.885 1.00 0.00 C ATOM 1915 CE2 PHE A 117 -0.396 -2.133 1.989 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.186 -1.195 2.819 1.00 0.00 C ATOM 0 H PHE A 117 1.486 -7.439 4.677 1.00 0.00 H new ATOM 0 HA PHE A 117 0.258 -5.160 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.860 -5.565 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.422 -5.936 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.766 -3.271 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.657 -4.209 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.417 -0.876 4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -1.004 -1.814 1.156 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.035 -0.142 2.635 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.802 -7.022 3.830 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.211 -7.241 3.525 1.00 0.00 C ATOM 1928 C LEU A 118 -3.760 -8.451 4.278 1.00 0.00 C ATOM 1929 O LEU A 118 -4.751 -9.052 3.862 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.405 -7.432 2.018 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.981 -6.245 1.147 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.508 -6.410 -0.270 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.469 -4.934 1.747 1.00 0.00 C ATOM 0 H LEU A 118 -1.170 -7.715 3.429 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.763 -6.359 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.842 -8.311 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.457 -7.643 1.828 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.892 -6.220 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.198 -5.558 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.108 -7.327 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.597 -6.463 -0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.157 -4.105 1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.557 -4.948 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.044 -4.809 2.743 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.113 -8.803 5.385 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.542 -9.941 6.190 1.00 0.00 C ATOM 1947 C GLN A 119 -3.557 -11.220 5.360 1.00 0.00 C ATOM 1948 O GLN A 119 -4.512 -11.995 5.411 1.00 0.00 O ATOM 1949 CB GLN A 119 -4.931 -9.680 6.777 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.042 -8.352 7.508 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.293 -8.258 8.361 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -6.455 -9.002 9.328 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.186 -7.342 8.004 1.00 0.00 N ATOM 0 H GLN A 119 -2.291 -8.317 5.744 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.829 -10.069 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.667 -9.706 5.973 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.183 -10.487 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.165 -8.215 8.140 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.041 -7.540 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.010 -6.746 7.195 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.048 -7.234 8.539 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.493 -11.434 4.594 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.381 -12.618 3.751 1.00 0.00 C ATOM 1964 C LEU A 120 -1.672 -13.750 4.488 1.00 0.00 C ATOM 1965 O LEU A 120 -0.877 -14.485 3.900 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.626 -12.281 2.462 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.869 -10.871 1.916 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.707 -10.430 1.037 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.182 -10.816 1.148 1.00 0.00 C ATOM 0 H LEU A 120 -1.695 -10.802 4.540 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.388 -12.950 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.558 -12.405 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.906 -13.004 1.696 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.938 -10.181 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.898 -9.426 0.658 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.212 -10.428 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.602 -11.120 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.339 -9.807 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.145 -11.517 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.003 -11.085 1.812 1.00 0.00 H new