USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -2.93! C(o=-3.5!,f=-10!) USER MOD Set 1.2: A 63 LYS NZ :NH3+ -110:sc= -0.526 (180deg=-0.0541) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.555 USER MOD Single : A 14 SER OG : rot -46:sc= 0.0491 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0496 USER MOD Single : A 26 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.6!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 47:sc= 1.04 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 58:sc= -3.27! USER MOD Single : A 50 THR OG1 : rot -84:sc= -0.298 USER MOD Single : A 57 THR OG1 : rot 107:sc= -2.86! USER MOD Single : A 62 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 64 SER OG : rot 180:sc= -1.97 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.163 9.300 -5.949 1.00 0.00 N ATOM 57 CA VAL A 5 8.717 9.217 -6.300 1.00 0.00 C ATOM 58 C VAL A 5 8.513 8.150 -7.378 1.00 0.00 C ATOM 59 O VAL A 5 9.344 7.971 -8.246 1.00 0.00 O ATOM 60 CB VAL A 5 8.234 10.575 -6.809 1.00 0.00 C ATOM 61 CG1 VAL A 5 6.750 10.731 -6.485 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.020 11.687 -6.109 1.00 0.00 C ATOM 0 HA VAL A 5 8.142 8.944 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 5 8.387 10.639 -7.886 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.399 11.698 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.186 9.935 -6.972 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.605 10.671 -5.406 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.678 12.657 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.860 11.623 -5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.082 11.573 -6.325 1.00 0.00 H new ATOM 72 N SER A 6 7.422 7.431 -7.330 1.00 0.00 N ATOM 73 CA SER A 6 7.194 6.376 -8.361 1.00 0.00 C ATOM 74 C SER A 6 6.106 6.801 -9.346 1.00 0.00 C ATOM 75 O SER A 6 4.951 6.933 -8.993 1.00 0.00 O ATOM 76 CB SER A 6 6.759 5.069 -7.689 1.00 0.00 C ATOM 77 OG SER A 6 7.472 4.906 -6.470 1.00 0.00 O ATOM 0 H SER A 6 6.687 7.527 -6.630 1.00 0.00 H new ATOM 0 HA SER A 6 8.130 6.229 -8.899 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.686 5.085 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.951 4.225 -8.351 1.00 0.00 H new ATOM 0 HG SER A 6 7.194 4.072 -6.038 1.00 0.00 H new ATOM 83 N LYS A 7 6.461 6.969 -10.590 1.00 0.00 N ATOM 84 CA LYS A 7 5.444 7.329 -11.613 1.00 0.00 C ATOM 85 C LYS A 7 4.819 6.019 -12.086 1.00 0.00 C ATOM 86 O LYS A 7 5.404 5.284 -12.860 1.00 0.00 O ATOM 87 CB LYS A 7 6.119 8.042 -12.787 1.00 0.00 C ATOM 88 CG LYS A 7 5.062 8.776 -13.614 1.00 0.00 C ATOM 89 CD LYS A 7 5.664 10.060 -14.188 1.00 0.00 C ATOM 90 CE LYS A 7 4.672 10.698 -15.162 1.00 0.00 C ATOM 91 NZ LYS A 7 3.697 11.533 -14.404 1.00 0.00 N ATOM 0 H LYS A 7 7.414 6.872 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 7 4.688 7.999 -11.202 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.863 8.748 -12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.647 7.320 -13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.707 8.135 -14.421 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.199 9.013 -12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.898 10.756 -13.383 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.601 9.838 -14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.204 11.311 -15.889 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.146 9.924 -15.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.023 11.967 -15.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.181 10.936 -13.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.206 12.280 -13.890 1.00 0.00 H new ATOM 105 N LEU A 8 3.663 5.686 -11.585 1.00 0.00 N ATOM 106 CA LEU A 8 3.052 4.386 -11.967 1.00 0.00 C ATOM 107 C LEU A 8 1.986 4.540 -13.048 1.00 0.00 C ATOM 108 O LEU A 8 1.071 5.331 -12.943 1.00 0.00 O ATOM 109 CB LEU A 8 2.398 3.752 -10.733 1.00 0.00 C ATOM 110 CG LEU A 8 3.380 2.809 -10.028 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.633 1.986 -8.978 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.005 1.857 -11.047 1.00 0.00 C ATOM 0 H LEU A 8 3.120 6.253 -10.934 1.00 0.00 H new ATOM 0 HA LEU A 8 3.850 3.757 -12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.076 4.533 -10.044 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.506 3.201 -11.030 1.00 0.00 H new ATOM 0 HG LEU A 8 4.161 3.401 -9.551 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.331 1.316 -8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.182 2.655 -8.245 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.852 1.400 -9.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.702 1.189 -10.541 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.221 1.269 -11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.538 2.433 -11.803 1.00 0.00 H new ATOM 124 N ARG A 9 2.076 3.717 -14.053 1.00 0.00 N ATOM 125 CA ARG A 9 1.054 3.707 -15.128 1.00 0.00 C ATOM 126 C ARG A 9 0.338 2.370 -14.977 1.00 0.00 C ATOM 127 O ARG A 9 0.891 1.328 -15.266 1.00 0.00 O ATOM 128 CB ARG A 9 1.727 3.794 -16.501 1.00 0.00 C ATOM 129 CG ARG A 9 2.495 5.112 -16.611 1.00 0.00 C ATOM 130 CD ARG A 9 2.876 5.361 -18.071 1.00 0.00 C ATOM 131 NE ARG A 9 4.225 5.993 -18.131 1.00 0.00 N ATOM 132 CZ ARG A 9 5.114 5.554 -18.981 1.00 0.00 C ATOM 133 NH1 ARG A 9 5.588 6.351 -19.900 1.00 0.00 N ATOM 134 NH2 ARG A 9 5.527 4.318 -18.913 1.00 0.00 N ATOM 0 H ARG A 9 2.829 3.040 -14.175 1.00 0.00 H new ATOM 0 HA ARG A 9 0.370 4.552 -15.053 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.406 2.953 -16.639 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.977 3.731 -17.290 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.883 5.934 -16.239 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.391 5.076 -15.991 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.878 4.421 -18.623 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.138 6.008 -18.546 1.00 0.00 H new ATOM 0 HE ARG A 9 4.453 6.768 -17.508 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.264 7.317 -19.954 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.282 6.008 -20.564 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.155 3.695 -18.196 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.221 3.975 -19.577 1.00 0.00 H new ATOM 148 N ILE A 10 -0.853 2.372 -14.459 1.00 0.00 N ATOM 149 CA ILE A 10 -1.540 1.075 -14.224 1.00 0.00 C ATOM 150 C ILE A 10 -2.633 0.843 -15.276 1.00 0.00 C ATOM 151 O ILE A 10 -3.545 1.621 -15.425 1.00 0.00 O ATOM 152 CB ILE A 10 -2.136 1.096 -12.807 1.00 0.00 C ATOM 153 CG1 ILE A 10 -1.158 1.791 -11.838 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.383 -0.333 -12.321 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.947 2.426 -10.697 1.00 0.00 C ATOM 0 H ILE A 10 -1.377 3.205 -14.190 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.828 0.254 -14.311 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.079 1.641 -12.834 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.443 1.069 -11.444 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.583 2.552 -12.366 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.805 -0.308 -11.316 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.080 -0.831 -12.995 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.440 -0.880 -12.305 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.260 2.919 -10.009 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.644 3.160 -11.101 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.502 1.654 -10.164 1.00 0.00 H new ATOM 167 N ARG A 11 -2.533 -0.226 -16.015 1.00 0.00 N ATOM 168 CA ARG A 11 -3.552 -0.515 -17.061 1.00 0.00 C ATOM 169 C ARG A 11 -4.771 -1.194 -16.435 1.00 0.00 C ATOM 170 O ARG A 11 -4.663 -1.921 -15.468 1.00 0.00 O ATOM 171 CB ARG A 11 -2.958 -1.465 -18.099 1.00 0.00 C ATOM 172 CG ARG A 11 -3.025 -0.818 -19.479 1.00 0.00 C ATOM 173 CD ARG A 11 -1.866 0.160 -19.618 1.00 0.00 C ATOM 174 NE ARG A 11 -1.151 -0.097 -20.901 1.00 0.00 N ATOM 175 CZ ARG A 11 -0.232 -1.024 -20.967 1.00 0.00 C ATOM 176 NH1 ARG A 11 -0.023 -1.813 -19.949 1.00 0.00 N ATOM 177 NH2 ARG A 11 0.477 -1.160 -22.054 1.00 0.00 N ATOM 0 H ARG A 11 -1.785 -0.915 -15.939 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.850 0.424 -17.527 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.924 -1.698 -17.845 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.506 -2.407 -18.101 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.971 -1.580 -20.256 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.975 -0.299 -19.607 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.236 1.185 -19.594 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.180 0.049 -18.778 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.380 0.452 -21.730 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.577 -1.707 -19.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.695 -2.536 -20.003 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.314 -0.544 -22.850 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.195 -1.883 -22.108 1.00 0.00 H new ATOM 191 N THR A 12 -5.927 -0.976 -16.995 1.00 0.00 N ATOM 192 CA THR A 12 -7.155 -1.625 -16.452 1.00 0.00 C ATOM 193 C THR A 12 -7.604 -2.727 -17.418 1.00 0.00 C ATOM 194 O THR A 12 -6.995 -2.925 -18.450 1.00 0.00 O ATOM 195 CB THR A 12 -8.272 -0.587 -16.298 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.167 -0.690 -17.396 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.674 0.819 -16.255 1.00 0.00 C ATOM 0 H THR A 12 -6.076 -0.376 -17.806 1.00 0.00 H new ATOM 0 HA THR A 12 -6.938 -2.055 -15.474 1.00 0.00 H new ATOM 0 HB THR A 12 -8.810 -0.774 -15.369 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.883 -0.028 -17.298 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.474 1.551 -16.145 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.991 0.898 -15.409 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.130 1.011 -17.180 1.00 0.00 H new ATOM 205 N PRO A 13 -8.658 -3.414 -17.053 1.00 0.00 N ATOM 206 CA PRO A 13 -9.211 -4.505 -17.872 1.00 0.00 C ATOM 207 C PRO A 13 -10.035 -3.932 -19.028 1.00 0.00 C ATOM 208 O PRO A 13 -10.508 -4.652 -19.885 1.00 0.00 O ATOM 209 CB PRO A 13 -10.096 -5.277 -16.891 1.00 0.00 C ATOM 210 CG PRO A 13 -10.448 -4.291 -15.751 1.00 0.00 C ATOM 211 CD PRO A 13 -9.395 -3.167 -15.798 1.00 0.00 C ATOM 0 HA PRO A 13 -8.447 -5.135 -18.328 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.998 -5.639 -17.384 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.574 -6.151 -16.501 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.452 -3.887 -15.885 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.433 -4.795 -14.785 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.863 -2.183 -15.798 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.733 -3.205 -14.933 1.00 0.00 H new ATOM 219 N SER A 14 -10.202 -2.638 -19.059 1.00 0.00 N ATOM 220 CA SER A 14 -10.988 -2.011 -20.157 1.00 0.00 C ATOM 221 C SER A 14 -10.038 -1.248 -21.086 1.00 0.00 C ATOM 222 O SER A 14 -10.452 -0.674 -22.074 1.00 0.00 O ATOM 223 CB SER A 14 -12.009 -1.041 -19.563 1.00 0.00 C ATOM 224 OG SER A 14 -13.033 -0.795 -20.518 1.00 0.00 O ATOM 0 H SER A 14 -9.827 -1.987 -18.369 1.00 0.00 H new ATOM 0 HA SER A 14 -11.509 -2.784 -20.722 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.438 -1.459 -18.652 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.522 -0.106 -19.286 1.00 0.00 H new ATOM 0 HG SER A 14 -12.629 -0.623 -21.394 1.00 0.00 H new ATOM 230 N GLY A 15 -8.769 -1.240 -20.780 1.00 0.00 N ATOM 231 CA GLY A 15 -7.797 -0.518 -21.647 1.00 0.00 C ATOM 232 C GLY A 15 -7.600 0.909 -21.132 1.00 0.00 C ATOM 233 O GLY A 15 -7.201 1.793 -21.865 1.00 0.00 O ATOM 0 H GLY A 15 -8.364 -1.703 -19.966 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.843 -1.045 -21.656 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.159 -0.496 -22.675 1.00 0.00 H new ATOM 237 N GLU A 16 -7.871 1.146 -19.876 1.00 0.00 N ATOM 238 CA GLU A 16 -7.690 2.521 -19.328 1.00 0.00 C ATOM 239 C GLU A 16 -6.336 2.612 -18.620 1.00 0.00 C ATOM 240 O GLU A 16 -5.733 1.612 -18.275 1.00 0.00 O ATOM 241 CB GLU A 16 -8.817 2.834 -18.341 1.00 0.00 C ATOM 242 CG GLU A 16 -9.671 3.977 -18.891 1.00 0.00 C ATOM 243 CD GLU A 16 -10.421 3.501 -20.136 1.00 0.00 C ATOM 244 OE1 GLU A 16 -10.148 2.398 -20.581 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.255 4.246 -20.624 1.00 0.00 O ATOM 0 H GLU A 16 -8.208 0.451 -19.210 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.720 3.245 -20.142 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.433 1.949 -18.183 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.401 3.110 -17.372 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.379 4.313 -18.133 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.040 4.830 -19.138 1.00 0.00 H new ATOM 252 N PHE A 17 -5.851 3.808 -18.414 1.00 0.00 N ATOM 253 CA PHE A 17 -4.528 3.984 -17.746 1.00 0.00 C ATOM 254 C PHE A 17 -4.700 4.744 -16.426 1.00 0.00 C ATOM 255 O PHE A 17 -5.193 5.855 -16.405 1.00 0.00 O ATOM 256 CB PHE A 17 -3.622 4.822 -18.656 1.00 0.00 C ATOM 257 CG PHE A 17 -2.538 3.974 -19.283 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.472 3.495 -18.509 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.589 3.690 -20.653 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.460 2.732 -19.106 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.575 2.931 -21.250 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.511 2.452 -20.477 1.00 0.00 C ATOM 0 H PHE A 17 -6.317 4.675 -18.681 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.095 3.002 -17.555 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.220 5.288 -19.439 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.168 5.628 -18.079 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.431 3.714 -17.452 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.411 4.057 -21.250 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.359 2.360 -18.509 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.614 2.715 -22.307 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.271 1.866 -20.938 1.00 0.00 H new ATOM 272 N LEU A 18 -4.254 4.188 -15.332 1.00 0.00 N ATOM 273 CA LEU A 18 -4.349 4.924 -14.043 1.00 0.00 C ATOM 274 C LEU A 18 -2.993 5.563 -13.802 1.00 0.00 C ATOM 275 O LEU A 18 -2.078 4.931 -13.300 1.00 0.00 O ATOM 276 CB LEU A 18 -4.647 4.000 -12.853 1.00 0.00 C ATOM 277 CG LEU A 18 -5.936 3.207 -13.052 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.092 4.121 -13.466 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.704 2.128 -14.102 1.00 0.00 C ATOM 0 H LEU A 18 -3.831 3.262 -15.277 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.163 5.645 -14.114 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.815 3.310 -12.713 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.724 4.595 -11.943 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.212 2.741 -12.106 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.996 3.527 -13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.261 4.868 -12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.844 4.620 -14.403 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.622 1.559 -14.248 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.412 2.593 -15.044 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.911 1.459 -13.767 1.00 0.00 H new ATOM 291 N GLU A 19 -2.848 6.797 -14.162 1.00 0.00 N ATOM 292 CA GLU A 19 -1.543 7.474 -13.951 1.00 0.00 C ATOM 293 C GLU A 19 -1.452 7.878 -12.486 1.00 0.00 C ATOM 294 O GLU A 19 -2.217 8.691 -12.008 1.00 0.00 O ATOM 295 CB GLU A 19 -1.447 8.715 -14.843 1.00 0.00 C ATOM 296 CG GLU A 19 -2.784 9.459 -14.823 1.00 0.00 C ATOM 297 CD GLU A 19 -2.533 10.958 -14.646 1.00 0.00 C ATOM 298 OE1 GLU A 19 -1.741 11.307 -13.787 1.00 0.00 O ATOM 299 OE2 GLU A 19 -3.138 11.730 -15.372 1.00 0.00 O ATOM 0 H GLU A 19 -3.573 7.370 -14.593 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.724 6.802 -14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.649 9.369 -14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.195 8.425 -15.863 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.327 9.278 -15.751 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.408 9.086 -14.011 1.00 0.00 H new ATOM 306 N ARG A 20 -0.545 7.295 -11.758 1.00 0.00 N ATOM 307 CA ARG A 20 -0.443 7.628 -10.316 1.00 0.00 C ATOM 308 C ARG A 20 0.995 7.965 -9.936 1.00 0.00 C ATOM 309 O ARG A 20 1.906 7.190 -10.146 1.00 0.00 O ATOM 310 CB ARG A 20 -0.899 6.421 -9.503 1.00 0.00 C ATOM 311 CG ARG A 20 -1.397 6.882 -8.138 1.00 0.00 C ATOM 312 CD ARG A 20 -2.520 7.906 -8.319 1.00 0.00 C ATOM 313 NE ARG A 20 -2.041 9.247 -7.882 1.00 0.00 N ATOM 314 CZ ARG A 20 -1.671 9.436 -6.644 1.00 0.00 C ATOM 315 NH1 ARG A 20 -2.348 8.890 -5.671 1.00 0.00 N ATOM 316 NH2 ARG A 20 -0.624 10.170 -6.379 1.00 0.00 N ATOM 0 H ARG A 20 0.126 6.606 -12.098 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.070 8.495 -10.109 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.693 5.893 -10.031 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.074 5.719 -9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.759 6.028 -7.565 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.577 7.323 -7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.831 7.941 -9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.393 7.612 -7.736 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.002 10.017 -8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.165 8.316 -5.878 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.060 9.037 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.094 10.596 -7.139 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.336 10.317 -5.412 1.00 0.00 H new ATOM 330 N ARG A 21 1.195 9.104 -9.338 1.00 0.00 N ATOM 331 CA ARG A 21 2.560 9.483 -8.897 1.00 0.00 C ATOM 332 C ARG A 21 2.610 9.298 -7.383 1.00 0.00 C ATOM 333 O ARG A 21 1.850 9.903 -6.654 1.00 0.00 O ATOM 334 CB ARG A 21 2.832 10.947 -9.254 1.00 0.00 C ATOM 335 CG ARG A 21 4.058 11.443 -8.485 1.00 0.00 C ATOM 336 CD ARG A 21 4.518 12.781 -9.068 1.00 0.00 C ATOM 337 NE ARG A 21 4.212 13.876 -8.103 1.00 0.00 N ATOM 338 CZ ARG A 21 4.157 15.114 -8.515 1.00 0.00 C ATOM 339 NH1 ARG A 21 5.216 15.874 -8.441 1.00 0.00 N ATOM 340 NH2 ARG A 21 3.044 15.592 -9.001 1.00 0.00 N ATOM 0 H ARG A 21 0.468 9.790 -9.136 1.00 0.00 H new ATOM 0 HA ARG A 21 3.314 8.867 -9.388 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.999 11.045 -10.327 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.964 11.559 -9.009 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.816 11.558 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.862 10.710 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.588 12.752 -9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.016 12.968 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 21 4.046 13.658 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.086 15.501 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.173 16.841 -8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.216 14.999 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.002 16.559 -9.323 1.00 0.00 H new ATOM 354 N PHE A 22 3.471 8.451 -6.897 1.00 0.00 N ATOM 355 CA PHE A 22 3.516 8.232 -5.427 1.00 0.00 C ATOM 356 C PHE A 22 4.839 8.693 -4.842 1.00 0.00 C ATOM 357 O PHE A 22 5.890 8.502 -5.422 1.00 0.00 O ATOM 358 CB PHE A 22 3.417 6.744 -5.103 1.00 0.00 C ATOM 359 CG PHE A 22 2.274 6.088 -5.812 1.00 0.00 C ATOM 360 CD1 PHE A 22 0.965 6.289 -5.370 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.532 5.241 -6.893 1.00 0.00 C ATOM 362 CE1 PHE A 22 -0.090 5.647 -6.018 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.479 4.597 -7.538 1.00 0.00 C ATOM 364 CZ PHE A 22 0.168 4.802 -7.103 1.00 0.00 C ATOM 0 H PHE A 22 4.137 7.907 -7.445 1.00 0.00 H new ATOM 0 HA PHE A 22 2.682 8.795 -5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.348 6.250 -5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.298 6.615 -4.027 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.770 6.939 -4.530 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.547 5.086 -7.228 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.105 5.802 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.676 3.941 -8.373 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.650 4.307 -7.606 1.00 0.00 H new ATOM 374 N LEU A 23 4.802 9.217 -3.653 1.00 0.00 N ATOM 375 CA LEU A 23 6.065 9.595 -2.988 1.00 0.00 C ATOM 376 C LEU A 23 6.688 8.284 -2.527 1.00 0.00 C ATOM 377 O LEU A 23 6.014 7.446 -1.975 1.00 0.00 O ATOM 378 CB LEU A 23 5.776 10.491 -1.782 1.00 0.00 C ATOM 379 CG LEU A 23 6.784 11.640 -1.747 1.00 0.00 C ATOM 380 CD1 LEU A 23 6.475 12.556 -0.561 1.00 0.00 C ATOM 381 CD2 LEU A 23 8.197 11.073 -1.597 1.00 0.00 C ATOM 0 H LEU A 23 3.953 9.398 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 23 6.726 10.148 -3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.762 10.885 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.838 9.911 -0.861 1.00 0.00 H new ATOM 0 HG LEU A 23 6.716 12.210 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.194 13.375 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.468 12.960 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.542 11.986 0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.917 11.891 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.264 10.503 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.419 10.421 -2.442 1.00 0.00 H new ATOM 393 N ALA A 24 7.941 8.068 -2.779 1.00 0.00 N ATOM 394 CA ALA A 24 8.560 6.767 -2.368 1.00 0.00 C ATOM 395 C ALA A 24 8.068 6.342 -0.972 1.00 0.00 C ATOM 396 O ALA A 24 8.072 5.170 -0.641 1.00 0.00 O ATOM 397 CB ALA A 24 10.082 6.906 -2.358 1.00 0.00 C ATOM 0 H ALA A 24 8.567 8.723 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 24 8.265 6.000 -3.084 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.532 5.959 -2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.429 7.174 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.372 7.684 -1.652 1.00 0.00 H new ATOM 403 N SER A 25 7.644 7.270 -0.152 1.00 0.00 N ATOM 404 CA SER A 25 7.161 6.895 1.212 1.00 0.00 C ATOM 405 C SER A 25 5.646 6.645 1.187 1.00 0.00 C ATOM 406 O SER A 25 5.033 6.403 2.207 1.00 0.00 O ATOM 407 CB SER A 25 7.469 8.030 2.188 1.00 0.00 C ATOM 408 OG SER A 25 7.344 9.276 1.515 1.00 0.00 O ATOM 0 H SER A 25 7.611 8.267 -0.366 1.00 0.00 H new ATOM 0 HA SER A 25 7.668 5.984 1.530 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.785 7.991 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.477 7.919 2.587 1.00 0.00 H new ATOM 0 HG SER A 25 7.539 10.006 2.139 1.00 0.00 H new ATOM 414 N ASN A 26 5.040 6.704 0.033 1.00 0.00 N ATOM 415 CA ASN A 26 3.568 6.474 -0.059 1.00 0.00 C ATOM 416 C ASN A 26 3.230 5.064 0.432 1.00 0.00 C ATOM 417 O ASN A 26 4.065 4.373 0.982 1.00 0.00 O ATOM 418 CB ASN A 26 3.119 6.629 -1.514 1.00 0.00 C ATOM 419 CG ASN A 26 2.105 7.770 -1.616 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.268 8.673 -2.413 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.058 7.768 -0.838 1.00 0.00 N ATOM 0 H ASN A 26 5.502 6.902 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 26 3.051 7.204 0.564 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.979 6.835 -2.151 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.674 5.700 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.376 8.524 -0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.921 7.010 -0.169 1.00 0.00 H new ATOM 428 N LYS A 27 2.008 4.635 0.247 1.00 0.00 N ATOM 429 CA LYS A 27 1.623 3.273 0.717 1.00 0.00 C ATOM 430 C LYS A 27 0.853 2.524 -0.376 1.00 0.00 C ATOM 431 O LYS A 27 0.015 3.079 -1.072 1.00 0.00 O ATOM 432 CB LYS A 27 0.742 3.393 1.964 1.00 0.00 C ATOM 433 CG LYS A 27 1.135 4.644 2.755 1.00 0.00 C ATOM 434 CD LYS A 27 0.344 5.846 2.233 1.00 0.00 C ATOM 435 CE LYS A 27 -0.967 5.972 3.010 1.00 0.00 C ATOM 436 NZ LYS A 27 -0.864 7.099 3.978 1.00 0.00 N ATOM 0 H LYS A 27 1.265 5.166 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 27 2.530 2.717 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.308 3.448 1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.855 2.506 2.588 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.933 4.495 3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.205 4.828 2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.933 6.757 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.138 5.725 1.169 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.795 6.144 2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.180 5.043 3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.755 7.185 4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.084 6.917 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.680 7.984 3.463 1.00 0.00 H new ATOM 450 N LEU A 28 1.120 1.255 -0.521 1.00 0.00 N ATOM 451 CA LEU A 28 0.402 0.460 -1.552 1.00 0.00 C ATOM 452 C LEU A 28 -1.103 0.589 -1.314 1.00 0.00 C ATOM 453 O LEU A 28 -1.874 0.768 -2.236 1.00 0.00 O ATOM 454 CB LEU A 28 0.799 -1.008 -1.433 1.00 0.00 C ATOM 455 CG LEU A 28 1.198 -1.570 -2.796 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.249 -0.706 -3.476 1.00 0.00 C ATOM 457 CD2 LEU A 28 1.751 -2.975 -2.600 1.00 0.00 C ATOM 0 H LEU A 28 1.804 0.736 0.030 1.00 0.00 H new ATOM 0 HA LEU A 28 0.660 0.828 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.629 -1.110 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.033 -1.583 -1.026 1.00 0.00 H new ATOM 0 HG LEU A 28 0.315 -1.585 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.506 -1.139 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.854 0.299 -3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.141 -0.658 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.041 -3.390 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.622 -2.935 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.987 -3.607 -2.148 1.00 0.00 H new ATOM 469 N GLN A 29 -1.530 0.498 -0.078 1.00 0.00 N ATOM 470 CA GLN A 29 -2.986 0.616 0.208 1.00 0.00 C ATOM 471 C GLN A 29 -3.512 1.884 -0.461 1.00 0.00 C ATOM 472 O GLN A 29 -4.589 1.893 -1.023 1.00 0.00 O ATOM 473 CB GLN A 29 -3.213 0.693 1.727 1.00 0.00 C ATOM 474 CG GLN A 29 -4.579 1.321 2.026 1.00 0.00 C ATOM 475 CD GLN A 29 -5.146 0.721 3.314 1.00 0.00 C ATOM 476 OE1 GLN A 29 -5.649 -0.385 3.312 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.086 1.408 4.421 1.00 0.00 N ATOM 0 H GLN A 29 -0.935 0.348 0.737 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.514 -0.255 -0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.161 -0.305 2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.423 1.284 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.480 2.402 2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.263 1.141 1.197 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.664 2.336 4.423 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.461 1.017 5.285 1.00 0.00 H new ATOM 486 N ILE A 30 -2.762 2.952 -0.423 1.00 0.00 N ATOM 487 CA ILE A 30 -3.248 4.190 -1.081 1.00 0.00 C ATOM 488 C ILE A 30 -3.290 3.948 -2.580 1.00 0.00 C ATOM 489 O ILE A 30 -4.235 4.301 -3.250 1.00 0.00 O ATOM 490 CB ILE A 30 -2.315 5.368 -0.758 1.00 0.00 C ATOM 491 CG1 ILE A 30 -3.189 6.609 -0.543 1.00 0.00 C ATOM 492 CG2 ILE A 30 -1.315 5.615 -1.906 1.00 0.00 C ATOM 493 CD1 ILE A 30 -2.373 7.887 -0.766 1.00 0.00 C ATOM 0 H ILE A 30 -1.849 3.018 0.028 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.244 4.440 -0.715 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.734 5.145 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.036 6.587 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.597 6.603 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.668 6.454 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.709 4.722 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.861 5.844 -2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.010 8.757 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.541 7.915 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.987 7.899 -1.785 1.00 0.00 H new ATOM 505 N VAL A 31 -2.273 3.335 -3.110 1.00 0.00 N ATOM 506 CA VAL A 31 -2.280 3.062 -4.573 1.00 0.00 C ATOM 507 C VAL A 31 -3.569 2.327 -4.902 1.00 0.00 C ATOM 508 O VAL A 31 -4.342 2.717 -5.759 1.00 0.00 O ATOM 509 CB VAL A 31 -1.102 2.172 -4.958 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.885 2.261 -6.468 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.150 2.645 -4.227 1.00 0.00 C ATOM 0 H VAL A 31 -1.448 3.014 -2.604 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.204 4.002 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.309 1.139 -4.680 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.045 1.628 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.784 1.925 -6.985 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.671 3.293 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.993 2.010 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.367 3.676 -4.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.013 2.587 -3.151 1.00 0.00 H new ATOM 521 N PHE A 32 -3.796 1.261 -4.208 1.00 0.00 N ATOM 522 CA PHE A 32 -5.028 0.459 -4.440 1.00 0.00 C ATOM 523 C PHE A 32 -6.268 1.349 -4.291 1.00 0.00 C ATOM 524 O PHE A 32 -7.211 1.259 -5.058 1.00 0.00 O ATOM 525 CB PHE A 32 -5.086 -0.663 -3.401 1.00 0.00 C ATOM 526 CG PHE A 32 -3.791 -1.458 -3.419 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.830 -1.230 -4.416 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.552 -2.427 -2.433 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.644 -1.969 -4.424 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.361 -3.165 -2.447 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.414 -2.937 -3.440 1.00 0.00 C ATOM 0 H PHE A 32 -3.178 0.901 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.008 0.042 -5.447 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.250 -0.242 -2.409 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.929 -1.321 -3.612 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.007 -0.484 -5.177 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.287 -2.604 -1.662 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.904 -1.793 -5.191 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.178 -3.910 -1.687 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.498 -3.509 -3.452 1.00 0.00 H new ATOM 541 N ASP A 33 -6.282 2.204 -3.303 1.00 0.00 N ATOM 542 CA ASP A 33 -7.466 3.086 -3.098 1.00 0.00 C ATOM 543 C ASP A 33 -7.581 4.097 -4.244 1.00 0.00 C ATOM 544 O ASP A 33 -8.662 4.392 -4.716 1.00 0.00 O ATOM 545 CB ASP A 33 -7.315 3.836 -1.773 1.00 0.00 C ATOM 546 CG ASP A 33 -8.455 3.446 -0.832 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.597 2.264 -0.564 1.00 0.00 O ATOM 548 OD2 ASP A 33 -9.168 4.335 -0.397 1.00 0.00 O ATOM 0 H ASP A 33 -5.525 2.329 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.366 2.472 -3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.355 3.598 -1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.326 4.912 -1.949 1.00 0.00 H new ATOM 553 N PHE A 34 -6.481 4.638 -4.688 1.00 0.00 N ATOM 554 CA PHE A 34 -6.537 5.636 -5.791 1.00 0.00 C ATOM 555 C PHE A 34 -7.117 4.980 -7.045 1.00 0.00 C ATOM 556 O PHE A 34 -8.019 5.502 -7.670 1.00 0.00 O ATOM 557 CB PHE A 34 -5.112 6.156 -6.065 1.00 0.00 C ATOM 558 CG PHE A 34 -4.605 5.670 -7.406 1.00 0.00 C ATOM 559 CD1 PHE A 34 -5.121 6.206 -8.593 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.630 4.676 -7.455 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.653 5.741 -9.829 1.00 0.00 C ATOM 562 CE2 PHE A 34 -3.164 4.211 -8.683 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.674 4.742 -9.873 1.00 0.00 C ATOM 0 H PHE A 34 -5.546 4.432 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.177 6.472 -5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.109 7.246 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.440 5.820 -5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.878 6.976 -8.555 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.234 4.265 -6.538 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.047 6.153 -10.746 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.408 3.440 -8.716 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.312 4.381 -10.825 1.00 0.00 H new ATOM 573 N VAL A 35 -6.600 3.844 -7.424 1.00 0.00 N ATOM 574 CA VAL A 35 -7.137 3.186 -8.653 1.00 0.00 C ATOM 575 C VAL A 35 -8.611 2.880 -8.436 1.00 0.00 C ATOM 576 O VAL A 35 -9.446 3.199 -9.256 1.00 0.00 O ATOM 577 CB VAL A 35 -6.417 1.865 -8.969 1.00 0.00 C ATOM 578 CG1 VAL A 35 -5.389 2.093 -10.081 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.699 1.327 -7.732 1.00 0.00 C ATOM 0 H VAL A 35 -5.845 3.349 -6.949 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.982 3.868 -9.489 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.163 1.138 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.880 1.155 -10.303 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.896 2.452 -10.977 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.659 2.834 -9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.197 0.392 -7.981 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.962 2.055 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.425 1.149 -6.938 1.00 0.00 H new ATOM 589 N ALA A 36 -8.950 2.265 -7.341 1.00 0.00 N ATOM 590 CA ALA A 36 -10.382 1.953 -7.113 1.00 0.00 C ATOM 591 C ALA A 36 -11.208 3.213 -7.362 1.00 0.00 C ATOM 592 O ALA A 36 -12.188 3.194 -8.077 1.00 0.00 O ATOM 593 CB ALA A 36 -10.586 1.477 -5.677 1.00 0.00 C ATOM 0 H ALA A 36 -8.308 1.969 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.699 1.163 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.640 1.249 -5.515 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.990 0.581 -5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.274 2.260 -4.986 1.00 0.00 H new ATOM 599 N SER A 37 -10.815 4.312 -6.788 1.00 0.00 N ATOM 600 CA SER A 37 -11.578 5.571 -6.999 1.00 0.00 C ATOM 601 C SER A 37 -11.502 5.988 -8.472 1.00 0.00 C ATOM 602 O SER A 37 -12.220 6.863 -8.912 1.00 0.00 O ATOM 603 CB SER A 37 -10.983 6.678 -6.127 1.00 0.00 C ATOM 604 OG SER A 37 -9.567 6.556 -6.116 1.00 0.00 O ATOM 0 H SER A 37 -9.999 4.394 -6.182 1.00 0.00 H new ATOM 0 HA SER A 37 -12.621 5.408 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.272 7.656 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.374 6.607 -5.112 1.00 0.00 H new ATOM 0 HG SER A 37 -9.243 6.424 -7.031 1.00 0.00 H new ATOM 610 N LYS A 38 -10.625 5.390 -9.239 1.00 0.00 N ATOM 611 CA LYS A 38 -10.504 5.782 -10.668 1.00 0.00 C ATOM 612 C LYS A 38 -11.690 5.264 -11.491 1.00 0.00 C ATOM 613 O LYS A 38 -12.545 6.027 -11.891 1.00 0.00 O ATOM 614 CB LYS A 38 -9.204 5.219 -11.238 1.00 0.00 C ATOM 615 CG LYS A 38 -8.324 6.365 -11.744 1.00 0.00 C ATOM 616 CD LYS A 38 -8.245 7.456 -10.674 1.00 0.00 C ATOM 617 CE LYS A 38 -6.951 8.252 -10.852 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.036 9.521 -10.074 1.00 0.00 N ATOM 0 H LYS A 38 -9.992 4.651 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.500 6.870 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.675 4.652 -10.472 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.422 4.528 -12.052 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.325 5.996 -11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.736 6.774 -12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.106 8.120 -10.752 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.276 7.009 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.099 7.662 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.788 8.470 -11.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.156 10.062 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.839 10.085 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.172 9.302 -9.066 1.00 0.00 H new ATOM 632 N GLY A 39 -11.744 3.987 -11.782 1.00 0.00 N ATOM 633 CA GLY A 39 -12.877 3.490 -12.619 1.00 0.00 C ATOM 634 C GLY A 39 -13.139 1.997 -12.408 1.00 0.00 C ATOM 635 O GLY A 39 -13.718 1.346 -13.254 1.00 0.00 O ATOM 0 H GLY A 39 -11.069 3.283 -11.484 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.779 4.053 -12.378 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.658 3.674 -13.671 1.00 0.00 H new ATOM 745 N LYS A 46 -6.712 -5.912 -6.779 1.00 0.00 N ATOM 746 CA LYS A 46 -5.275 -6.304 -6.771 1.00 0.00 C ATOM 747 C LYS A 46 -4.623 -5.905 -8.091 1.00 0.00 C ATOM 748 O LYS A 46 -5.066 -6.278 -9.157 1.00 0.00 O ATOM 749 CB LYS A 46 -5.159 -7.818 -6.582 1.00 0.00 C ATOM 750 CG LYS A 46 -4.007 -8.125 -5.621 1.00 0.00 C ATOM 751 CD LYS A 46 -4.529 -8.130 -4.183 1.00 0.00 C ATOM 752 CE LYS A 46 -5.216 -6.797 -3.884 1.00 0.00 C ATOM 753 NZ LYS A 46 -5.625 -6.758 -2.452 1.00 0.00 N ATOM 0 HA LYS A 46 -4.769 -5.794 -5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.093 -8.219 -6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.985 -8.303 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.566 -9.092 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.219 -7.379 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.231 -8.952 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.706 -8.291 -3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.540 -5.970 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.088 -6.674 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.092 -5.851 -2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.284 -7.538 -2.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.784 -6.857 -1.848 1.00 0.00 H new ATOM 767 N LEU A 47 -3.564 -5.154 -8.018 1.00 0.00 N ATOM 768 CA LEU A 47 -2.858 -4.724 -9.251 1.00 0.00 C ATOM 769 C LEU A 47 -1.713 -5.697 -9.531 1.00 0.00 C ATOM 770 O LEU A 47 -1.180 -6.304 -8.633 1.00 0.00 O ATOM 771 CB LEU A 47 -2.313 -3.317 -9.041 1.00 0.00 C ATOM 772 CG LEU A 47 -3.475 -2.371 -8.743 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.040 -1.347 -7.697 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.883 -1.658 -10.030 1.00 0.00 C ATOM 0 H LEU A 47 -3.154 -4.816 -7.147 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.541 -4.721 -10.101 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.600 -3.309 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.776 -2.985 -9.930 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.324 -2.936 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.868 -0.671 -7.483 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.747 -1.863 -6.783 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.194 -0.775 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.712 -0.981 -9.824 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.037 -1.089 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.192 -2.395 -10.772 1.00 0.00 H new ATOM 786 N LEU A 48 -1.343 -5.872 -10.766 1.00 0.00 N ATOM 787 CA LEU A 48 -0.243 -6.821 -11.085 1.00 0.00 C ATOM 788 C LEU A 48 0.980 -6.035 -11.560 1.00 0.00 C ATOM 789 O LEU A 48 0.910 -5.268 -12.500 1.00 0.00 O ATOM 790 CB LEU A 48 -0.717 -7.783 -12.184 1.00 0.00 C ATOM 791 CG LEU A 48 0.473 -8.490 -12.846 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.097 -7.572 -13.897 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.524 -8.851 -11.792 1.00 0.00 C ATOM 0 H LEU A 48 -1.755 -5.398 -11.570 1.00 0.00 H new ATOM 0 HA LEU A 48 0.028 -7.395 -10.199 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.393 -8.524 -11.757 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.282 -7.232 -12.936 1.00 0.00 H new ATOM 0 HG LEU A 48 0.120 -9.404 -13.324 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.942 -8.077 -14.365 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.353 -7.329 -14.656 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.442 -6.654 -13.420 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.364 -9.352 -12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.875 -7.943 -11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.082 -9.515 -11.050 1.00 0.00 H new ATOM 805 N SER A 49 2.105 -6.217 -10.919 1.00 0.00 N ATOM 806 CA SER A 49 3.325 -5.476 -11.342 1.00 0.00 C ATOM 807 C SER A 49 3.872 -6.118 -12.615 1.00 0.00 C ATOM 808 O SER A 49 4.167 -7.300 -12.649 1.00 0.00 O ATOM 809 CB SER A 49 4.383 -5.552 -10.245 1.00 0.00 C ATOM 810 OG SER A 49 3.947 -6.447 -9.231 1.00 0.00 O ATOM 0 H SER A 49 2.229 -6.844 -10.124 1.00 0.00 H new ATOM 0 HA SER A 49 3.074 -4.431 -11.525 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.331 -5.891 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.556 -4.562 -9.822 1.00 0.00 H new ATOM 0 HG SER A 49 3.779 -7.329 -9.623 1.00 0.00 H new ATOM 816 N THR A 50 3.989 -5.348 -13.665 1.00 0.00 N ATOM 817 CA THR A 50 4.488 -5.898 -14.957 1.00 0.00 C ATOM 818 C THR A 50 6.005 -6.095 -14.918 1.00 0.00 C ATOM 819 O THR A 50 6.502 -7.164 -15.214 1.00 0.00 O ATOM 820 CB THR A 50 4.135 -4.926 -16.087 1.00 0.00 C ATOM 821 OG1 THR A 50 5.006 -3.805 -16.031 1.00 0.00 O ATOM 822 CG2 THR A 50 2.686 -4.455 -15.936 1.00 0.00 C ATOM 0 H THR A 50 3.758 -4.355 -13.681 1.00 0.00 H new ATOM 0 HA THR A 50 4.017 -6.866 -15.128 1.00 0.00 H new ATOM 0 HB THR A 50 4.248 -5.432 -17.046 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.659 -3.153 -15.386 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.442 -3.764 -16.743 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.017 -5.315 -15.980 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.565 -3.950 -14.977 1.00 0.00 H new ATOM 830 N PHE A 51 6.752 -5.076 -14.583 1.00 0.00 N ATOM 831 CA PHE A 51 8.236 -5.226 -14.562 1.00 0.00 C ATOM 832 C PHE A 51 8.617 -6.559 -13.900 1.00 0.00 C ATOM 833 O PHE A 51 9.100 -7.447 -14.576 1.00 0.00 O ATOM 834 CB PHE A 51 8.877 -4.050 -13.823 1.00 0.00 C ATOM 835 CG PHE A 51 9.506 -3.109 -14.822 1.00 0.00 C ATOM 836 CD1 PHE A 51 10.682 -3.478 -15.486 1.00 0.00 C ATOM 837 CD2 PHE A 51 8.913 -1.868 -15.085 1.00 0.00 C ATOM 838 CE1 PHE A 51 11.266 -2.606 -16.413 1.00 0.00 C ATOM 839 CE2 PHE A 51 9.497 -0.997 -16.012 1.00 0.00 C ATOM 840 CZ PHE A 51 10.673 -1.366 -16.676 1.00 0.00 C ATOM 0 H PHE A 51 6.402 -4.153 -14.325 1.00 0.00 H new ATOM 0 HA PHE A 51 8.609 -5.228 -15.586 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.125 -3.523 -13.235 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.631 -4.413 -13.125 1.00 0.00 H new ATOM 0 HD1 PHE A 51 11.139 -4.435 -15.283 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.006 -1.583 -14.573 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.174 -2.890 -16.925 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.040 -0.040 -16.215 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.123 -0.693 -17.391 1.00 0.00 H new ATOM 850 N PRO A 52 8.388 -6.688 -12.611 1.00 0.00 N ATOM 851 CA PRO A 52 8.704 -7.935 -11.894 1.00 0.00 C ATOM 852 C PRO A 52 7.601 -8.972 -12.130 1.00 0.00 C ATOM 853 O PRO A 52 7.598 -10.027 -11.532 1.00 0.00 O ATOM 854 CB PRO A 52 8.733 -7.513 -10.425 1.00 0.00 C ATOM 855 CG PRO A 52 7.880 -6.229 -10.326 1.00 0.00 C ATOM 856 CD PRO A 52 7.809 -5.632 -11.747 1.00 0.00 C ATOM 0 HA PRO A 52 9.639 -8.390 -12.221 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.329 -8.299 -9.787 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.755 -7.328 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.882 -6.456 -9.951 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.328 -5.520 -9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.782 -5.402 -12.032 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.375 -4.703 -11.818 1.00 0.00 H new ATOM 864 N ARG A 53 6.659 -8.666 -12.994 1.00 0.00 N ATOM 865 CA ARG A 53 5.539 -9.617 -13.274 1.00 0.00 C ATOM 866 C ARG A 53 5.119 -10.317 -11.980 1.00 0.00 C ATOM 867 O ARG A 53 5.098 -11.528 -11.892 1.00 0.00 O ATOM 868 CB ARG A 53 5.981 -10.656 -14.315 1.00 0.00 C ATOM 869 CG ARG A 53 7.115 -11.522 -13.758 1.00 0.00 C ATOM 870 CD ARG A 53 8.462 -10.869 -14.074 1.00 0.00 C ATOM 871 NE ARG A 53 9.326 -11.843 -14.798 1.00 0.00 N ATOM 872 CZ ARG A 53 10.152 -11.425 -15.718 1.00 0.00 C ATOM 873 NH1 ARG A 53 9.969 -11.767 -16.965 1.00 0.00 N ATOM 874 NH2 ARG A 53 11.161 -10.665 -15.392 1.00 0.00 N ATOM 0 H ARG A 53 6.620 -7.792 -13.519 1.00 0.00 H new ATOM 0 HA ARG A 53 4.689 -9.061 -13.670 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.135 -11.286 -14.591 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.312 -10.152 -15.223 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.000 -11.640 -12.680 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.072 -12.520 -14.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.312 -9.977 -14.682 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.949 -10.549 -13.153 1.00 0.00 H new ATOM 0 HE ARG A 53 9.272 -12.837 -14.575 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.180 -12.361 -17.220 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.615 -11.440 -17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.304 -10.398 -14.418 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.807 -10.338 -16.111 1.00 0.00 H new ATOM 888 N ARG A 54 4.791 -9.559 -10.969 1.00 0.00 N ATOM 889 CA ARG A 54 4.383 -10.185 -9.676 1.00 0.00 C ATOM 890 C ARG A 54 3.143 -9.484 -9.118 1.00 0.00 C ATOM 891 O ARG A 54 2.755 -8.430 -9.577 1.00 0.00 O ATOM 892 CB ARG A 54 5.532 -10.064 -8.674 1.00 0.00 C ATOM 893 CG ARG A 54 5.637 -8.620 -8.182 1.00 0.00 C ATOM 894 CD ARG A 54 6.991 -8.410 -7.502 1.00 0.00 C ATOM 895 NE ARG A 54 6.901 -8.823 -6.073 1.00 0.00 N ATOM 896 CZ ARG A 54 6.209 -9.879 -5.738 1.00 0.00 C ATOM 897 NH1 ARG A 54 4.961 -9.754 -5.376 1.00 0.00 N ATOM 898 NH2 ARG A 54 6.764 -11.059 -5.766 1.00 0.00 N ATOM 0 H ARG A 54 4.787 -8.539 -10.980 1.00 0.00 H new ATOM 0 HA ARG A 54 4.148 -11.236 -9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.364 -10.734 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.469 -10.368 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.528 -7.931 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.829 -8.403 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.759 -8.991 -8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.286 -7.363 -7.571 1.00 0.00 H new ATOM 0 HE ARG A 54 7.381 -8.280 -5.355 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.526 -8.832 -5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.421 -10.579 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.739 -11.157 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.223 -11.883 -5.504 1.00 0.00 H new ATOM 912 N ASP A 55 2.524 -10.058 -8.121 1.00 0.00 N ATOM 913 CA ASP A 55 1.314 -9.420 -7.530 1.00 0.00 C ATOM 914 C ASP A 55 1.666 -8.013 -7.044 1.00 0.00 C ATOM 915 O ASP A 55 2.411 -7.844 -6.103 1.00 0.00 O ATOM 916 CB ASP A 55 0.816 -10.258 -6.353 1.00 0.00 C ATOM 917 CG ASP A 55 -0.489 -9.661 -5.823 1.00 0.00 C ATOM 918 OD1 ASP A 55 -0.585 -8.446 -5.775 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.369 -10.429 -5.472 1.00 0.00 O ATOM 0 H ASP A 55 2.804 -10.940 -7.691 1.00 0.00 H new ATOM 0 HA ASP A 55 0.531 -9.358 -8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.656 -11.289 -6.668 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.567 -10.279 -5.563 1.00 0.00 H new ATOM 924 N VAL A 56 1.122 -7.016 -7.699 1.00 0.00 N ATOM 925 CA VAL A 56 1.379 -5.585 -7.341 1.00 0.00 C ATOM 926 C VAL A 56 2.711 -5.410 -6.626 1.00 0.00 C ATOM 927 O VAL A 56 2.847 -5.690 -5.461 1.00 0.00 O ATOM 928 CB VAL A 56 0.240 -5.031 -6.482 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.341 -5.565 -5.056 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.331 -3.504 -6.475 1.00 0.00 C ATOM 0 H VAL A 56 0.491 -7.139 -8.491 1.00 0.00 H new ATOM 0 HA VAL A 56 1.427 -5.022 -8.273 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.717 -5.346 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.476 -5.162 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.278 -6.653 -5.070 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.293 -5.262 -4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.475 -3.094 -5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.291 -3.199 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.242 -3.130 -7.495 1.00 0.00 H new ATOM 940 N THR A 57 3.676 -4.920 -7.349 1.00 0.00 N ATOM 941 CA THR A 57 5.048 -4.666 -6.808 1.00 0.00 C ATOM 942 C THR A 57 5.223 -5.140 -5.350 1.00 0.00 C ATOM 943 O THR A 57 5.124 -4.373 -4.413 1.00 0.00 O ATOM 944 CB THR A 57 5.364 -3.164 -6.915 1.00 0.00 C ATOM 945 OG1 THR A 57 5.971 -2.723 -5.719 1.00 0.00 O ATOM 946 CG2 THR A 57 4.079 -2.360 -7.155 1.00 0.00 C ATOM 0 H THR A 57 3.569 -4.674 -8.333 1.00 0.00 H new ATOM 0 HA THR A 57 5.746 -5.249 -7.408 1.00 0.00 H new ATOM 0 HB THR A 57 6.041 -3.009 -7.755 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.925 -2.565 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.321 -1.300 -7.228 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.611 -2.690 -8.083 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.390 -2.518 -6.325 1.00 0.00 H new ATOM 954 N GLN A 58 5.525 -6.400 -5.170 1.00 0.00 N ATOM 955 CA GLN A 58 5.779 -6.952 -3.793 1.00 0.00 C ATOM 956 C GLN A 58 4.489 -7.242 -3.012 1.00 0.00 C ATOM 957 O GLN A 58 4.521 -7.923 -2.007 1.00 0.00 O ATOM 958 CB GLN A 58 6.635 -5.962 -2.997 1.00 0.00 C ATOM 959 CG GLN A 58 7.936 -6.642 -2.568 1.00 0.00 C ATOM 960 CD GLN A 58 7.708 -7.402 -1.260 1.00 0.00 C ATOM 961 OE1 GLN A 58 6.584 -7.698 -0.906 1.00 0.00 O ATOM 962 NE2 GLN A 58 8.732 -7.732 -0.524 1.00 0.00 N ATOM 0 H GLN A 58 5.609 -7.082 -5.923 1.00 0.00 H new ATOM 0 HA GLN A 58 6.298 -7.902 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.854 -5.084 -3.605 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.088 -5.614 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.274 -7.328 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.721 -5.898 -2.436 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.675 -7.483 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.590 -8.239 0.350 1.00 0.00 H new ATOM 971 N LEU A 59 3.366 -6.746 -3.441 1.00 0.00 N ATOM 972 CA LEU A 59 2.104 -7.023 -2.694 1.00 0.00 C ATOM 973 C LEU A 59 2.133 -6.325 -1.335 1.00 0.00 C ATOM 974 O LEU A 59 2.989 -5.508 -1.061 1.00 0.00 O ATOM 975 CB LEU A 59 1.953 -8.531 -2.484 1.00 0.00 C ATOM 976 CG LEU A 59 0.926 -9.077 -3.469 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.892 -10.604 -3.372 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.456 -8.514 -3.128 1.00 0.00 C ATOM 0 H LEU A 59 3.263 -6.163 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 59 1.261 -6.645 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.912 -9.028 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.638 -8.738 -1.461 1.00 0.00 H new ATOM 0 HG LEU A 59 1.199 -8.782 -4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.158 -10.997 -4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.876 -11.006 -3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.617 -10.898 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.191 -8.904 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.730 -8.811 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.432 -7.426 -3.194 1.00 0.00 H new ATOM 990 N ASP A 60 1.195 -6.644 -0.483 1.00 0.00 N ATOM 991 CA ASP A 60 1.154 -6.005 0.861 1.00 0.00 C ATOM 992 C ASP A 60 0.588 -4.588 0.735 1.00 0.00 C ATOM 993 O ASP A 60 1.324 -3.642 0.524 1.00 0.00 O ATOM 994 CB ASP A 60 2.569 -5.944 1.442 1.00 0.00 C ATOM 995 CG ASP A 60 3.300 -7.253 1.141 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.656 -8.289 1.169 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.492 -7.197 0.886 1.00 0.00 O ATOM 0 H ASP A 60 0.454 -7.322 -0.662 1.00 0.00 H new ATOM 0 HA ASP A 60 0.517 -6.591 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.114 -5.103 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.525 -5.779 2.519 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.710 -4.482 0.879 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.409 -3.190 0.787 1.00 0.00 C ATOM 1004 C PRO A 61 -1.078 -2.332 2.000 1.00 0.00 C ATOM 1005 O PRO A 61 -1.316 -1.141 2.027 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.893 -3.578 0.753 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.981 -4.997 1.361 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.591 -5.631 1.175 1.00 0.00 C ATOM 0 HA PRO A 61 -1.123 -2.600 -0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.494 -2.871 1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.275 -3.567 -0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.250 -4.952 2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.748 -5.588 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.270 -6.159 2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.589 -6.356 0.361 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.507 -2.934 2.996 1.00 0.00 N ATOM 1017 CA ASN A 62 -0.132 -2.173 4.218 1.00 0.00 C ATOM 1018 C ASN A 62 1.352 -1.818 4.148 1.00 0.00 C ATOM 1019 O ASN A 62 1.898 -1.217 5.051 1.00 0.00 O ATOM 1020 CB ASN A 62 -0.395 -3.033 5.456 1.00 0.00 C ATOM 1021 CG ASN A 62 -0.112 -2.215 6.717 1.00 0.00 C ATOM 1022 OD1 ASN A 62 1.024 -2.084 7.127 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -1.103 -1.653 7.352 1.00 0.00 N ATOM 0 H ASN A 62 -0.281 -3.928 3.020 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.726 -1.261 4.281 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.429 -3.378 5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.238 -3.920 5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.924 -1.104 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.057 -1.763 7.008 1.00 0.00 H new ATOM 1030 N LYS A 63 2.009 -2.182 3.080 1.00 0.00 N ATOM 1031 CA LYS A 63 3.454 -1.862 2.957 1.00 0.00 C ATOM 1032 C LYS A 63 3.616 -0.473 2.344 1.00 0.00 C ATOM 1033 O LYS A 63 2.735 0.034 1.677 1.00 0.00 O ATOM 1034 CB LYS A 63 4.133 -2.898 2.060 1.00 0.00 C ATOM 1035 CG LYS A 63 4.733 -4.007 2.927 1.00 0.00 C ATOM 1036 CD LYS A 63 6.149 -4.325 2.440 1.00 0.00 C ATOM 1037 CE LYS A 63 6.409 -5.826 2.575 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.182 -6.303 1.394 1.00 0.00 N ATOM 0 H LYS A 63 1.606 -2.686 2.290 1.00 0.00 H new ATOM 0 HA LYS A 63 3.915 -1.880 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.411 -3.319 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.914 -2.424 1.465 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.758 -3.694 3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.110 -4.900 2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.266 -4.017 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.880 -3.765 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.962 -6.029 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.464 -6.365 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.574 -6.902 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.510 -5.486 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.002 -6.855 1.716 1.00 0.00 H new ATOM 1052 N SER A 64 4.746 0.138 2.553 1.00 0.00 N ATOM 1053 CA SER A 64 4.983 1.485 1.976 1.00 0.00 C ATOM 1054 C SER A 64 5.622 1.288 0.607 1.00 0.00 C ATOM 1055 O SER A 64 5.939 0.179 0.227 1.00 0.00 O ATOM 1056 CB SER A 64 5.923 2.280 2.883 1.00 0.00 C ATOM 1057 OG SER A 64 7.265 1.889 2.626 1.00 0.00 O ATOM 0 H SER A 64 5.518 -0.240 3.101 1.00 0.00 H new ATOM 0 HA SER A 64 4.048 2.038 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.803 3.348 2.704 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.674 2.102 3.929 1.00 0.00 H new ATOM 0 HG SER A 64 7.871 2.398 3.205 1.00 0.00 H new ATOM 1063 N LEU A 65 5.789 2.326 -0.159 1.00 0.00 N ATOM 1064 CA LEU A 65 6.373 2.130 -1.507 1.00 0.00 C ATOM 1065 C LEU A 65 7.860 1.812 -1.396 1.00 0.00 C ATOM 1066 O LEU A 65 8.347 0.928 -2.059 1.00 0.00 O ATOM 1067 CB LEU A 65 6.165 3.387 -2.341 1.00 0.00 C ATOM 1068 CG LEU A 65 4.708 3.434 -2.798 1.00 0.00 C ATOM 1069 CD1 LEU A 65 4.483 4.672 -3.648 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.384 2.197 -3.634 1.00 0.00 C ATOM 0 H LEU A 65 5.550 3.287 0.086 1.00 0.00 H new ATOM 0 HA LEU A 65 5.875 1.291 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.406 4.274 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.832 3.383 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 65 4.063 3.461 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.443 4.705 -3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.708 5.562 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.136 4.638 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.343 2.238 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.034 2.169 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.543 1.301 -3.034 1.00 0.00 H new ATOM 1082 N LEU A 66 8.590 2.496 -0.565 1.00 0.00 N ATOM 1083 CA LEU A 66 10.043 2.176 -0.452 1.00 0.00 C ATOM 1084 C LEU A 66 10.214 0.665 -0.275 1.00 0.00 C ATOM 1085 O LEU A 66 11.018 0.042 -0.939 1.00 0.00 O ATOM 1086 CB LEU A 66 10.646 2.889 0.770 1.00 0.00 C ATOM 1087 CG LEU A 66 11.236 4.271 0.411 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.524 4.401 -1.088 1.00 0.00 C ATOM 1089 CD2 LEU A 66 10.253 5.363 0.834 1.00 0.00 C ATOM 0 H LEU A 66 8.255 3.251 0.033 1.00 0.00 H new ATOM 0 HA LEU A 66 10.552 2.511 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.877 3.012 1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.427 2.264 1.203 1.00 0.00 H new ATOM 0 HG LEU A 66 12.182 4.379 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.938 5.388 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 66 12.241 3.637 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.599 4.271 -1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.665 6.340 0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.307 5.223 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.086 5.305 1.910 1.00 0.00 H new ATOM 1101 N GLU A 67 9.463 0.069 0.607 1.00 0.00 N ATOM 1102 CA GLU A 67 9.603 -1.405 0.818 1.00 0.00 C ATOM 1103 C GLU A 67 9.286 -2.134 -0.485 1.00 0.00 C ATOM 1104 O GLU A 67 9.877 -3.148 -0.796 1.00 0.00 O ATOM 1105 CB GLU A 67 8.647 -1.915 1.912 1.00 0.00 C ATOM 1106 CG GLU A 67 7.988 -0.752 2.652 1.00 0.00 C ATOM 1107 CD GLU A 67 7.369 -1.261 3.956 1.00 0.00 C ATOM 1108 OE1 GLU A 67 8.086 -1.333 4.941 1.00 0.00 O ATOM 1109 OE2 GLU A 67 6.189 -1.570 3.947 1.00 0.00 O ATOM 0 H GLU A 67 8.763 0.530 1.188 1.00 0.00 H new ATOM 0 HA GLU A 67 10.628 -1.601 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.880 -2.546 1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.197 -2.536 2.620 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.725 0.022 2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.220 -0.297 2.026 1.00 0.00 H new ATOM 1116 N VAL A 68 8.362 -1.631 -1.255 1.00 0.00 N ATOM 1117 CA VAL A 68 8.033 -2.320 -2.536 1.00 0.00 C ATOM 1118 C VAL A 68 8.734 -1.605 -3.706 1.00 0.00 C ATOM 1119 O VAL A 68 8.598 -1.981 -4.853 1.00 0.00 O ATOM 1120 CB VAL A 68 6.516 -2.360 -2.736 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.881 -3.222 -1.642 1.00 0.00 C ATOM 1122 CG2 VAL A 68 5.924 -0.954 -2.662 1.00 0.00 C ATOM 0 H VAL A 68 7.827 -0.785 -1.058 1.00 0.00 H new ATOM 0 HA VAL A 68 8.393 -3.348 -2.500 1.00 0.00 H new ATOM 0 HB VAL A 68 6.308 -2.782 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.801 -3.251 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.282 -4.234 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.108 -2.795 -0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.845 -1.006 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.139 -0.520 -1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.365 -0.332 -3.441 1.00 0.00 H new ATOM 1132 N LYS A 69 9.512 -0.597 -3.401 1.00 0.00 N ATOM 1133 CA LYS A 69 10.285 0.154 -4.440 1.00 0.00 C ATOM 1134 C LYS A 69 9.606 0.163 -5.821 1.00 0.00 C ATOM 1135 O LYS A 69 10.026 -0.526 -6.727 1.00 0.00 O ATOM 1136 CB LYS A 69 11.673 -0.486 -4.570 1.00 0.00 C ATOM 1137 CG LYS A 69 11.541 -1.957 -4.996 1.00 0.00 C ATOM 1138 CD LYS A 69 11.321 -2.843 -3.769 1.00 0.00 C ATOM 1139 CE LYS A 69 10.398 -4.007 -4.147 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.221 -5.180 -4.560 1.00 0.00 N ATOM 0 H LYS A 69 9.647 -0.254 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 69 10.345 1.192 -4.113 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.266 0.061 -5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.202 -0.421 -3.619 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.707 -2.069 -5.689 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.440 -2.272 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.275 -3.223 -3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.880 -2.261 -2.960 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.765 -4.273 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.735 -3.710 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.595 -5.970 -4.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.807 -4.922 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.836 -5.467 -3.772 1.00 0.00 H new ATOM 1207 N GLN A 73 9.603 4.823 -12.408 1.00 0.00 N ATOM 1208 CA GLN A 73 8.661 4.532 -13.528 1.00 0.00 C ATOM 1209 C GLN A 73 8.257 3.056 -13.481 1.00 0.00 C ATOM 1210 O GLN A 73 9.054 2.177 -13.742 1.00 0.00 O ATOM 1211 CB GLN A 73 9.348 4.830 -14.863 1.00 0.00 C ATOM 1212 CG GLN A 73 10.154 6.125 -14.746 1.00 0.00 C ATOM 1213 CD GLN A 73 10.951 6.348 -16.033 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.899 7.411 -16.617 1.00 0.00 O ATOM 1215 NE2 GLN A 73 11.692 5.381 -16.502 1.00 0.00 N ATOM 0 HA GLN A 73 7.773 5.157 -13.429 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.004 4.005 -15.138 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.604 4.923 -15.654 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.485 6.967 -14.569 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.829 6.070 -13.892 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.736 4.488 -16.011 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.227 5.519 -17.359 1.00 0.00 H new ATOM 1224 N GLU A 74 7.026 2.778 -13.150 1.00 0.00 N ATOM 1225 CA GLU A 74 6.576 1.357 -13.089 1.00 0.00 C ATOM 1226 C GLU A 74 5.167 1.233 -13.681 1.00 0.00 C ATOM 1227 O GLU A 74 4.364 2.140 -13.594 1.00 0.00 O ATOM 1228 CB GLU A 74 6.571 0.886 -11.631 1.00 0.00 C ATOM 1229 CG GLU A 74 7.948 0.342 -11.261 1.00 0.00 C ATOM 1230 CD GLU A 74 8.201 -0.971 -12.003 1.00 0.00 C ATOM 1231 OE1 GLU A 74 7.362 -1.853 -11.908 1.00 0.00 O ATOM 1232 OE2 GLU A 74 9.227 -1.073 -12.653 1.00 0.00 O ATOM 0 H GLU A 74 6.313 3.471 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 74 7.260 0.735 -13.667 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.307 1.714 -10.972 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.815 0.114 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.718 1.070 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.008 0.180 -10.185 1.00 0.00 H new ATOM 1239 N THR A 75 4.856 0.118 -14.287 1.00 0.00 N ATOM 1240 CA THR A 75 3.496 -0.057 -14.876 1.00 0.00 C ATOM 1241 C THR A 75 2.783 -1.210 -14.164 1.00 0.00 C ATOM 1242 O THR A 75 3.340 -2.272 -13.971 1.00 0.00 O ATOM 1243 CB THR A 75 3.615 -0.371 -16.370 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.531 0.535 -16.970 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.243 -0.230 -17.034 1.00 0.00 C ATOM 0 H THR A 75 5.484 -0.678 -14.400 1.00 0.00 H new ATOM 0 HA THR A 75 2.924 0.862 -14.749 1.00 0.00 H new ATOM 0 HB THR A 75 3.975 -1.392 -16.501 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.610 0.335 -17.926 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.329 -0.454 -18.097 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.542 -0.925 -16.572 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.880 0.790 -16.906 1.00 0.00 H new ATOM 1253 N LEU A 76 1.556 -1.007 -13.761 1.00 0.00 N ATOM 1254 CA LEU A 76 0.813 -2.088 -13.049 1.00 0.00 C ATOM 1255 C LEU A 76 -0.431 -2.484 -13.849 1.00 0.00 C ATOM 1256 O LEU A 76 -0.861 -1.775 -14.730 1.00 0.00 O ATOM 1257 CB LEU A 76 0.385 -1.588 -11.672 1.00 0.00 C ATOM 1258 CG LEU A 76 1.219 -2.279 -10.598 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.465 -1.311 -9.443 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.454 -3.496 -10.082 1.00 0.00 C ATOM 0 H LEU A 76 1.036 -0.139 -13.894 1.00 0.00 H new ATOM 0 HA LEU A 76 1.464 -2.956 -12.943 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.515 -0.508 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.674 -1.792 -11.512 1.00 0.00 H new ATOM 0 HG LEU A 76 2.175 -2.592 -11.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.061 -1.805 -8.675 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.000 -0.435 -9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.510 -1.002 -9.018 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.043 -3.997 -9.313 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.498 -3.175 -9.659 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.270 -4.186 -10.905 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.016 -3.612 -13.542 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.241 -4.055 -14.276 1.00 0.00 C ATOM 1274 C PHE A 77 -3.389 -4.229 -13.269 1.00 0.00 C ATOM 1275 O PHE A 77 -3.169 -4.574 -12.132 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.961 -5.387 -14.975 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.477 -5.125 -16.382 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -2.298 -4.444 -17.288 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.209 -5.564 -16.779 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -1.852 -4.202 -18.593 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.238 -5.322 -18.084 1.00 0.00 C ATOM 1282 CZ PHE A 77 -0.583 -4.640 -18.990 1.00 0.00 C ATOM 0 H PHE A 77 -0.698 -4.249 -12.812 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.518 -3.310 -15.023 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.211 -5.951 -14.420 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.865 -5.995 -14.997 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.276 -4.105 -16.980 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.425 -6.089 -16.079 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.486 -3.678 -19.293 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.216 -5.662 -18.391 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.237 -4.452 -19.996 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.611 -3.982 -13.657 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.730 -4.137 -12.676 1.00 0.00 C ATOM 1294 C LEU A 78 -6.214 -5.587 -12.642 1.00 0.00 C ATOM 1295 O LEU A 78 -6.444 -6.205 -13.661 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.891 -3.224 -13.055 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.392 -2.504 -11.804 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.292 -1.000 -12.021 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.855 -2.877 -11.528 1.00 0.00 C ATOM 0 H LEU A 78 -4.883 -3.684 -14.594 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.360 -3.862 -11.688 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.570 -2.499 -13.803 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.697 -3.807 -13.501 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.782 -2.802 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.648 -0.480 -11.132 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.253 -0.728 -12.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.903 -0.715 -12.877 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.200 -2.358 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.471 -2.585 -12.378 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.933 -3.953 -11.375 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.377 -6.123 -11.464 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.855 -7.526 -11.328 1.00 0.00 C ATOM 1313 C GLU A 79 -7.705 -7.630 -10.062 1.00 0.00 C ATOM 1314 O GLU A 79 -7.556 -6.848 -9.144 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.656 -8.470 -11.220 1.00 0.00 C ATOM 1316 CG GLU A 79 -6.130 -9.919 -11.354 1.00 0.00 C ATOM 1317 CD GLU A 79 -5.267 -10.646 -12.387 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -4.202 -10.141 -12.701 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -5.687 -11.695 -12.847 1.00 0.00 O ATOM 0 H GLU A 79 -6.197 -5.643 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.447 -7.804 -12.200 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.929 -8.241 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.154 -8.328 -10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.065 -10.424 -10.390 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.177 -9.944 -11.657 1.00 0.00 H new