USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 541 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 Single : A 1 MET CE :methyl 158:sc= -6.38! (180deg=-8.37!) USER MOD Single : A 1 MET N :NH3+ -158:sc= 1.28 (180deg=-0.499) USER MOD Single : A 8 ASN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 19 SER OG : rot 171:sc= -5.61! USER MOD Single : A 21 THR OG1 : rot 180:sc= -3.32 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -1.51 K(o=-1.5,f=-7.3!) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -2.26 (180deg=-6.37!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.34) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -99:sc= 0.992 (180deg=-1.76) USER MOD Single : A 52 ASN : amide:sc= -0.664 K(o=-0.66,f=-2.6!) USER MOD Single : A 55 THR OG1 : rot 153:sc= -2.9! USER MOD Single : A 57 GLN :FLIP amide:sc= 0.243 F(o=-1.3,f=0.24) USER MOD Single : A 58 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.8) USER MOD Single : A 59 CYS SG : rot 96:sc= -4.35! USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 65 SER OG : rot -67:sc= 0.225 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.774 F(o=-1.9,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.071 -16.325 1.671 1.00 0.00 N ATOM 2 CA MET A 1 -0.242 -15.186 0.764 1.00 0.00 C ATOM 3 C MET A 1 0.982 -14.304 0.562 1.00 0.00 C ATOM 4 O MET A 1 1.566 -13.817 1.522 1.00 0.00 O ATOM 5 CB MET A 1 -1.391 -14.341 1.348 1.00 0.00 C ATOM 6 CG MET A 1 -2.233 -15.031 2.420 1.00 0.00 C ATOM 7 SD MET A 1 -1.436 -15.095 4.044 1.00 0.00 S ATOM 8 CE MET A 1 -0.521 -13.555 4.064 1.00 0.00 C ATOM 0 H1 MET A 1 -0.612 -17.093 1.512 1.00 0.00 H new ATOM 0 H2 MET A 1 1.032 -16.670 1.476 1.00 0.00 H new ATOM 0 H3 MET A 1 0.011 -16.008 2.660 1.00 0.00 H new ATOM 0 HA MET A 1 -0.545 -15.595 -0.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.970 -13.429 1.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.048 -14.039 0.532 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.185 -14.509 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.457 -16.047 2.095 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.312 -13.269 5.095 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.418 -13.683 3.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.112 -12.775 3.584 1.00 0.00 H new ATOM 18 N ILE A 2 1.370 -14.108 -0.690 1.00 0.00 N ATOM 19 CA ILE A 2 2.527 -13.281 -1.016 1.00 0.00 C ATOM 20 C ILE A 2 2.165 -12.316 -2.134 1.00 0.00 C ATOM 21 O ILE A 2 1.881 -12.756 -3.248 1.00 0.00 O ATOM 22 CB ILE A 2 3.730 -14.147 -1.465 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.755 -15.472 -0.698 1.00 0.00 C ATOM 24 CG2 ILE A 2 5.040 -13.396 -1.273 1.00 0.00 C ATOM 25 CD1 ILE A 2 3.121 -16.620 -1.452 1.00 0.00 C ATOM 0 H ILE A 2 0.900 -14.511 -1.500 1.00 0.00 H new ATOM 0 HA ILE A 2 2.812 -12.731 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 2 3.614 -14.364 -2.527 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.789 -15.728 -0.465 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.237 -15.342 0.252 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.870 -14.024 -1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.026 -12.482 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 2 5.164 -13.143 -0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 2 3.175 -17.526 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.077 -16.385 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 2 3.653 -16.777 -2.390 1.00 0.00 H new ATOM 37 N VAL A 3 2.152 -11.004 -1.867 1.00 0.00 N ATOM 38 CA VAL A 3 1.791 -10.072 -2.923 1.00 0.00 C ATOM 39 C VAL A 3 2.753 -8.901 -3.014 1.00 0.00 C ATOM 40 O VAL A 3 3.266 -8.428 -2.006 1.00 0.00 O ATOM 41 CB VAL A 3 0.360 -9.543 -2.730 1.00 0.00 C ATOM 42 CG1 VAL A 3 -0.087 -8.741 -3.944 1.00 0.00 C ATOM 43 CG2 VAL A 3 -0.598 -10.693 -2.461 1.00 0.00 C ATOM 0 H VAL A 3 2.378 -10.584 -0.966 1.00 0.00 H new ATOM 0 HA VAL A 3 1.848 -10.631 -3.857 1.00 0.00 H new ATOM 0 HB VAL A 3 0.352 -8.879 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.102 -8.377 -3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.584 -7.894 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.064 -9.377 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.607 -10.302 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.585 -11.382 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.290 -11.220 -1.558 1.00 0.00 H new ATOM 53 N PHE A 4 2.986 -8.426 -4.233 1.00 0.00 N ATOM 54 CA PHE A 4 3.871 -7.297 -4.439 1.00 0.00 C ATOM 55 C PHE A 4 3.086 -6.008 -4.273 1.00 0.00 C ATOM 56 O PHE A 4 2.015 -5.850 -4.861 1.00 0.00 O ATOM 57 CB PHE A 4 4.498 -7.356 -5.834 1.00 0.00 C ATOM 58 CG PHE A 4 5.467 -8.492 -6.018 1.00 0.00 C ATOM 59 CD1 PHE A 4 5.065 -9.805 -5.821 1.00 0.00 C ATOM 60 CD2 PHE A 4 6.778 -8.247 -6.391 1.00 0.00 C ATOM 61 CE1 PHE A 4 5.954 -10.849 -5.992 1.00 0.00 C ATOM 62 CE2 PHE A 4 7.671 -9.287 -6.564 1.00 0.00 C ATOM 63 CZ PHE A 4 7.260 -10.589 -6.364 1.00 0.00 C ATOM 0 H PHE A 4 2.575 -8.806 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 4 4.673 -7.332 -3.702 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.704 -7.445 -6.575 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.014 -6.416 -6.030 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.046 -10.014 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.106 -7.230 -6.549 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.629 -11.867 -5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.690 -9.081 -6.856 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.957 -11.403 -6.498 1.00 0.00 H new ATOM 73 N VAL A 5 3.607 -5.086 -3.476 1.00 0.00 N ATOM 74 CA VAL A 5 2.924 -3.822 -3.257 1.00 0.00 C ATOM 75 C VAL A 5 3.586 -2.695 -4.036 1.00 0.00 C ATOM 76 O VAL A 5 4.763 -2.386 -3.847 1.00 0.00 O ATOM 77 CB VAL A 5 2.850 -3.440 -1.758 1.00 0.00 C ATOM 78 CG1 VAL A 5 3.935 -4.134 -0.959 1.00 0.00 C ATOM 79 CG2 VAL A 5 2.932 -1.930 -1.560 1.00 0.00 C ATOM 0 H VAL A 5 4.490 -5.188 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 5 1.906 -3.962 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 5 1.882 -3.778 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.856 -3.845 0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.818 -5.214 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.913 -3.842 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.877 -1.699 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.875 -1.561 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.103 -1.449 -2.079 1.00 0.00 H new ATOM 89 N ARG A 6 2.800 -2.088 -4.905 1.00 0.00 N ATOM 90 CA ARG A 6 3.256 -0.981 -5.733 1.00 0.00 C ATOM 91 C ARG A 6 2.791 0.354 -5.161 1.00 0.00 C ATOM 92 O ARG A 6 1.608 0.538 -4.882 1.00 0.00 O ATOM 93 CB ARG A 6 2.729 -1.145 -7.163 1.00 0.00 C ATOM 94 CG ARG A 6 3.735 -1.760 -8.124 1.00 0.00 C ATOM 95 CD ARG A 6 4.492 -2.912 -7.484 1.00 0.00 C ATOM 96 NE ARG A 6 5.111 -3.784 -8.478 1.00 0.00 N ATOM 97 CZ ARG A 6 6.144 -3.429 -9.239 1.00 0.00 C ATOM 98 NH1 ARG A 6 6.684 -2.223 -9.119 1.00 0.00 N ATOM 99 NH2 ARG A 6 6.641 -4.285 -10.123 1.00 0.00 N ATOM 0 H ARG A 6 1.825 -2.347 -5.059 1.00 0.00 H new ATOM 0 HA ARG A 6 4.346 -0.990 -5.745 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.835 -1.768 -7.141 1.00 0.00 H new ATOM 0 HB3 ARG A 6 2.428 -0.169 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.217 -2.115 -9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 6 4.441 -0.996 -8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.261 -2.516 -6.821 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.809 -3.495 -6.866 1.00 0.00 H new ATOM 0 HE ARG A 6 4.729 -4.722 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.308 -1.561 -8.440 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.475 -1.958 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.232 -5.214 -10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.432 -4.014 -10.706 1.00 0.00 H new ATOM 113 N PHE A 7 3.721 1.288 -5.017 1.00 0.00 N ATOM 114 CA PHE A 7 3.412 2.622 -4.510 1.00 0.00 C ATOM 115 C PHE A 7 3.324 3.586 -5.687 1.00 0.00 C ATOM 116 O PHE A 7 3.908 3.315 -6.735 1.00 0.00 O ATOM 117 CB PHE A 7 4.493 3.076 -3.521 1.00 0.00 C ATOM 118 CG PHE A 7 4.411 4.530 -3.150 1.00 0.00 C ATOM 119 CD1 PHE A 7 4.884 5.506 -4.011 1.00 0.00 C ATOM 120 CD2 PHE A 7 3.864 4.918 -1.937 1.00 0.00 C ATOM 121 CE1 PHE A 7 4.814 6.844 -3.671 1.00 0.00 C ATOM 122 CE2 PHE A 7 3.790 6.255 -1.592 1.00 0.00 C ATOM 123 CZ PHE A 7 4.265 7.218 -2.459 1.00 0.00 C ATOM 0 H PHE A 7 4.705 1.146 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 7 2.458 2.605 -3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.417 2.476 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.473 2.877 -3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.313 5.218 -4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 7 3.492 4.168 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.187 7.595 -4.351 1.00 0.00 H new ATOM 0 HE2 PHE A 7 3.361 6.546 -0.645 1.00 0.00 H new ATOM 0 HZ PHE A 7 4.208 8.263 -2.191 1.00 0.00 H new ATOM 133 N ASN A 8 2.588 4.692 -5.543 1.00 0.00 N ATOM 134 CA ASN A 8 2.462 5.637 -6.651 1.00 0.00 C ATOM 135 C ASN A 8 3.823 6.244 -6.987 1.00 0.00 C ATOM 136 O ASN A 8 4.071 7.432 -6.777 1.00 0.00 O ATOM 137 CB ASN A 8 1.465 6.743 -6.297 1.00 0.00 C ATOM 138 CG ASN A 8 0.831 7.365 -7.525 1.00 0.00 C ATOM 139 OD1 ASN A 8 0.979 8.562 -7.776 1.00 0.00 O ATOM 140 ND2 ASN A 8 0.118 6.555 -8.299 1.00 0.00 N ATOM 0 H ASN A 8 2.084 4.949 -4.694 1.00 0.00 H new ATOM 0 HA ASN A 8 2.092 5.100 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.684 6.333 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.974 7.517 -5.723 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.333 6.918 -9.139 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.021 5.570 -8.054 1.00 0.00 H new ATOM 187 N GLY A 12 8.397 -1.060 -6.690 1.00 0.00 N ATOM 188 CA GLY A 12 7.555 -2.128 -6.185 1.00 0.00 C ATOM 189 C GLY A 12 8.204 -2.857 -5.024 1.00 0.00 C ATOM 190 O GLY A 12 9.412 -3.090 -5.034 1.00 0.00 O ATOM 0 HA2 GLY A 12 6.598 -1.716 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 12 7.346 -2.836 -6.987 1.00 0.00 H new ATOM 194 N PHE A 13 7.409 -3.219 -4.020 1.00 0.00 N ATOM 195 CA PHE A 13 7.935 -3.924 -2.857 1.00 0.00 C ATOM 196 C PHE A 13 7.223 -5.262 -2.660 1.00 0.00 C ATOM 197 O PHE A 13 6.070 -5.300 -2.231 1.00 0.00 O ATOM 198 CB PHE A 13 7.784 -3.064 -1.602 1.00 0.00 C ATOM 199 CG PHE A 13 8.666 -3.499 -0.467 1.00 0.00 C ATOM 200 CD1 PHE A 13 10.042 -3.370 -0.553 1.00 0.00 C ATOM 201 CD2 PHE A 13 8.118 -4.039 0.686 1.00 0.00 C ATOM 202 CE1 PHE A 13 10.857 -3.771 0.490 1.00 0.00 C ATOM 203 CE2 PHE A 13 8.926 -4.441 1.732 1.00 0.00 C ATOM 204 CZ PHE A 13 10.298 -4.307 1.633 1.00 0.00 C ATOM 0 H PHE A 13 6.406 -3.037 -3.989 1.00 0.00 H new ATOM 0 HA PHE A 13 8.993 -4.119 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.012 -2.028 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 13 6.745 -3.092 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.484 -2.951 -1.445 1.00 0.00 H new ATOM 0 HD2 PHE A 13 7.046 -4.147 0.768 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.929 -3.665 0.410 1.00 0.00 H new ATOM 0 HE2 PHE A 13 8.486 -4.859 2.625 1.00 0.00 H new ATOM 0 HZ PHE A 13 10.932 -4.621 2.449 1.00 0.00 H new ATOM 214 N PRO A 14 7.900 -6.383 -2.968 1.00 0.00 N ATOM 215 CA PRO A 14 7.318 -7.720 -2.819 1.00 0.00 C ATOM 216 C PRO A 14 7.089 -8.082 -1.355 1.00 0.00 C ATOM 217 O PRO A 14 8.031 -8.114 -0.564 1.00 0.00 O ATOM 218 CB PRO A 14 8.370 -8.655 -3.436 1.00 0.00 C ATOM 219 CG PRO A 14 9.301 -7.766 -4.192 1.00 0.00 C ATOM 220 CD PRO A 14 9.273 -6.443 -3.486 1.00 0.00 C ATOM 0 HA PRO A 14 6.341 -7.790 -3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.900 -9.212 -2.664 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.905 -9.388 -4.096 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.310 -8.179 -4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.984 -7.661 -5.230 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.011 -6.396 -2.685 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.486 -5.617 -4.165 1.00 0.00 H new ATOM 228 N VAL A 15 5.838 -8.360 -0.997 1.00 0.00 N ATOM 229 CA VAL A 15 5.513 -8.723 0.378 1.00 0.00 C ATOM 230 C VAL A 15 4.864 -10.091 0.441 1.00 0.00 C ATOM 231 O VAL A 15 4.151 -10.485 -0.479 1.00 0.00 O ATOM 232 CB VAL A 15 4.578 -7.684 1.036 1.00 0.00 C ATOM 233 CG1 VAL A 15 5.096 -6.292 0.775 1.00 0.00 C ATOM 234 CG2 VAL A 15 3.142 -7.797 0.535 1.00 0.00 C ATOM 0 H VAL A 15 5.041 -8.341 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 15 6.453 -8.745 0.929 1.00 0.00 H new ATOM 0 HB VAL A 15 4.570 -7.888 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.433 -5.564 1.241 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.097 -6.192 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.133 -6.113 -0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.525 -7.046 1.027 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.119 -7.636 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.755 -8.790 0.762 1.00 0.00 H new ATOM 244 N GLU A 16 5.096 -10.812 1.528 1.00 0.00 N ATOM 245 CA GLU A 16 4.494 -12.122 1.670 1.00 0.00 C ATOM 246 C GLU A 16 3.180 -12.005 2.422 1.00 0.00 C ATOM 247 O GLU A 16 3.079 -12.360 3.596 1.00 0.00 O ATOM 248 CB GLU A 16 5.447 -13.075 2.390 1.00 0.00 C ATOM 249 CG GLU A 16 4.860 -14.456 2.636 1.00 0.00 C ATOM 250 CD GLU A 16 5.896 -15.451 3.123 1.00 0.00 C ATOM 251 OE1 GLU A 16 6.648 -15.984 2.280 1.00 0.00 O ATOM 252 OE2 GLU A 16 5.954 -15.698 4.346 1.00 0.00 O ATOM 0 H GLU A 16 5.684 -10.518 2.307 1.00 0.00 H new ATOM 0 HA GLU A 16 4.296 -12.530 0.679 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.358 -13.177 1.801 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.733 -12.636 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.060 -14.381 3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.412 -14.826 1.714 1.00 0.00 H new ATOM 259 N VAL A 17 2.168 -11.505 1.715 1.00 0.00 N ATOM 260 CA VAL A 17 0.840 -11.331 2.272 1.00 0.00 C ATOM 261 C VAL A 17 -0.104 -10.715 1.245 1.00 0.00 C ATOM 262 O VAL A 17 0.323 -9.967 0.365 1.00 0.00 O ATOM 263 CB VAL A 17 0.863 -10.462 3.555 1.00 0.00 C ATOM 264 CG1 VAL A 17 2.103 -9.595 3.603 1.00 0.00 C ATOM 265 CG2 VAL A 17 -0.371 -9.584 3.664 1.00 0.00 C ATOM 0 H VAL A 17 2.252 -11.211 0.742 1.00 0.00 H new ATOM 0 HA VAL A 17 0.475 -12.322 2.541 1.00 0.00 H new ATOM 0 HB VAL A 17 0.873 -11.151 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.093 -8.996 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.990 -10.228 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.120 -8.936 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.316 -8.991 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.422 -8.919 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.262 -10.211 3.692 1.00 0.00 H new ATOM 275 N ASP A 18 -1.392 -11.011 1.382 1.00 0.00 N ATOM 276 CA ASP A 18 -2.386 -10.454 0.481 1.00 0.00 C ATOM 277 C ASP A 18 -2.438 -8.946 0.685 1.00 0.00 C ATOM 278 O ASP A 18 -2.684 -8.463 1.790 1.00 0.00 O ATOM 279 CB ASP A 18 -3.760 -11.073 0.744 1.00 0.00 C ATOM 280 CG ASP A 18 -3.963 -12.371 -0.012 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.700 -12.395 -1.234 1.00 0.00 O ATOM 282 OD2 ASP A 18 -4.388 -13.364 0.615 1.00 0.00 O ATOM 0 H ASP A 18 -1.767 -11.628 2.102 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.110 -10.679 -0.549 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.875 -11.256 1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.536 -10.363 0.457 1.00 0.00 H new ATOM 287 N SER A 19 -2.148 -8.212 -0.379 1.00 0.00 N ATOM 288 CA SER A 19 -2.109 -6.755 -0.302 1.00 0.00 C ATOM 289 C SER A 19 -3.481 -6.100 -0.505 1.00 0.00 C ATOM 290 O SER A 19 -3.724 -5.019 0.025 1.00 0.00 O ATOM 291 CB SER A 19 -1.086 -6.186 -1.293 1.00 0.00 C ATOM 292 OG SER A 19 -1.455 -4.885 -1.721 1.00 0.00 O ATOM 0 H SER A 19 -1.937 -8.595 -1.300 1.00 0.00 H new ATOM 0 HA SER A 19 -1.798 -6.510 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.102 -6.152 -0.825 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.006 -6.847 -2.156 1.00 0.00 H new ATOM 0 HG SER A 19 -0.720 -4.489 -2.234 1.00 0.00 H new ATOM 298 N ASP A 20 -4.365 -6.715 -1.292 1.00 0.00 N ATOM 299 CA ASP A 20 -5.681 -6.110 -1.549 1.00 0.00 C ATOM 300 C ASP A 20 -6.723 -6.464 -0.505 1.00 0.00 C ATOM 301 O ASP A 20 -7.700 -5.736 -0.353 1.00 0.00 O ATOM 302 CB ASP A 20 -6.214 -6.449 -2.944 1.00 0.00 C ATOM 303 CG ASP A 20 -5.701 -7.765 -3.499 1.00 0.00 C ATOM 304 OD1 ASP A 20 -4.639 -8.237 -3.047 1.00 0.00 O ATOM 305 OD2 ASP A 20 -6.367 -8.322 -4.392 1.00 0.00 O ATOM 0 H ASP A 20 -4.204 -7.610 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.507 -5.036 -1.489 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.303 -6.482 -2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.942 -5.647 -3.630 1.00 0.00 H new ATOM 310 N THR A 21 -6.510 -7.557 0.218 1.00 0.00 N ATOM 311 CA THR A 21 -7.433 -7.997 1.265 1.00 0.00 C ATOM 312 C THR A 21 -8.082 -6.809 1.957 1.00 0.00 C ATOM 313 O THR A 21 -7.533 -5.711 1.953 1.00 0.00 O ATOM 314 CB THR A 21 -6.686 -8.858 2.258 1.00 0.00 C ATOM 315 OG1 THR A 21 -7.403 -8.977 3.474 1.00 0.00 O ATOM 316 CG2 THR A 21 -5.302 -8.334 2.570 1.00 0.00 C ATOM 0 H THR A 21 -5.698 -8.163 0.098 1.00 0.00 H new ATOM 0 HA THR A 21 -8.232 -8.584 0.811 1.00 0.00 H new ATOM 0 HB THR A 21 -6.586 -9.833 1.780 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.898 -9.540 4.097 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.816 -8.994 3.288 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.712 -8.297 1.654 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.379 -7.332 2.993 1.00 0.00 H new ATOM 324 N SER A 22 -9.305 -7.023 2.446 1.00 0.00 N ATOM 325 CA SER A 22 -10.141 -5.969 3.030 1.00 0.00 C ATOM 326 C SER A 22 -9.366 -4.714 3.414 1.00 0.00 C ATOM 327 O SER A 22 -8.219 -4.766 3.852 1.00 0.00 O ATOM 328 CB SER A 22 -10.898 -6.514 4.243 1.00 0.00 C ATOM 329 OG SER A 22 -11.246 -5.478 5.145 1.00 0.00 O ATOM 0 H SER A 22 -9.748 -7.942 2.448 1.00 0.00 H new ATOM 0 HA SER A 22 -10.843 -5.667 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.800 -7.027 3.910 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.282 -7.253 4.756 1.00 0.00 H new ATOM 0 HG SER A 22 -11.730 -5.858 5.908 1.00 0.00 H new ATOM 335 N ILE A 23 -10.034 -3.580 3.196 1.00 0.00 N ATOM 336 CA ILE A 23 -9.470 -2.261 3.446 1.00 0.00 C ATOM 337 C ILE A 23 -8.641 -2.231 4.722 1.00 0.00 C ATOM 338 O ILE A 23 -7.566 -1.632 4.757 1.00 0.00 O ATOM 339 CB ILE A 23 -10.599 -1.210 3.517 1.00 0.00 C ATOM 340 CG1 ILE A 23 -10.030 0.206 3.441 1.00 0.00 C ATOM 341 CG2 ILE A 23 -11.424 -1.391 4.784 1.00 0.00 C ATOM 342 CD1 ILE A 23 -11.083 1.267 3.205 1.00 0.00 C ATOM 0 H ILE A 23 -10.989 -3.556 2.838 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.803 -2.022 2.618 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.254 -1.358 2.658 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.503 0.428 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.294 0.251 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.214 -0.640 4.814 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.869 -2.386 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.781 -1.276 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.608 2.247 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.594 1.070 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.806 1.249 4.020 1.00 0.00 H new ATOM 354 N PHE A 24 -9.116 -2.907 5.756 1.00 0.00 N ATOM 355 CA PHE A 24 -8.380 -2.968 7.006 1.00 0.00 C ATOM 356 C PHE A 24 -7.098 -3.767 6.803 1.00 0.00 C ATOM 357 O PHE A 24 -6.009 -3.337 7.189 1.00 0.00 O ATOM 358 CB PHE A 24 -9.236 -3.612 8.098 1.00 0.00 C ATOM 359 CG PHE A 24 -8.852 -3.192 9.489 1.00 0.00 C ATOM 360 CD1 PHE A 24 -8.963 -1.867 9.882 1.00 0.00 C ATOM 361 CD2 PHE A 24 -8.384 -4.122 10.402 1.00 0.00 C ATOM 362 CE1 PHE A 24 -8.612 -1.479 11.162 1.00 0.00 C ATOM 363 CE2 PHE A 24 -8.030 -3.740 11.682 1.00 0.00 C ATOM 364 CZ PHE A 24 -8.145 -2.417 12.062 1.00 0.00 C ATOM 0 H PHE A 24 -10.000 -3.416 5.754 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.127 -1.955 7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.282 -3.357 7.926 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.155 -4.696 8.019 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.327 -1.130 9.181 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.295 -5.158 10.110 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.703 -0.444 11.458 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.664 -4.475 12.384 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.870 -2.116 13.062 1.00 0.00 H new ATOM 374 N GLN A 25 -7.245 -4.940 6.196 1.00 0.00 N ATOM 375 CA GLN A 25 -6.122 -5.832 5.934 1.00 0.00 C ATOM 376 C GLN A 25 -5.093 -5.217 4.989 1.00 0.00 C ATOM 377 O GLN A 25 -3.908 -5.145 5.314 1.00 0.00 O ATOM 378 CB GLN A 25 -6.621 -7.140 5.329 1.00 0.00 C ATOM 379 CG GLN A 25 -7.877 -7.692 5.983 1.00 0.00 C ATOM 380 CD GLN A 25 -7.742 -7.828 7.487 1.00 0.00 C ATOM 381 OE1 GLN A 25 -7.337 -6.890 8.172 1.00 0.00 O ATOM 382 NE2 GLN A 25 -8.080 -9.002 8.007 1.00 0.00 N ATOM 0 H GLN A 25 -8.144 -5.298 5.873 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.636 -6.012 6.893 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.816 -6.985 4.268 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.830 -7.886 5.402 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.718 -7.037 5.756 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.107 -8.667 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.411 -9.752 7.400 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.009 -9.154 9.013 1.00 0.00 H new ATOM 391 N LEU A 26 -5.543 -4.797 3.809 1.00 0.00 N ATOM 392 CA LEU A 26 -4.645 -4.217 2.815 1.00 0.00 C ATOM 393 C LEU A 26 -3.869 -3.043 3.392 1.00 0.00 C ATOM 394 O LEU A 26 -2.636 -3.039 3.394 1.00 0.00 O ATOM 395 CB LEU A 26 -5.431 -3.772 1.569 1.00 0.00 C ATOM 396 CG LEU A 26 -6.717 -2.972 1.832 1.00 0.00 C ATOM 397 CD1 LEU A 26 -6.431 -1.480 1.860 1.00 0.00 C ATOM 398 CD2 LEU A 26 -7.764 -3.277 0.771 1.00 0.00 C ATOM 0 H LEU A 26 -6.520 -4.847 3.519 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.931 -4.987 2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.772 -3.168 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.691 -4.659 0.992 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.103 -3.271 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.356 -0.936 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.715 -1.262 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.016 -1.171 0.900 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.667 -2.701 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.376 -3.008 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.001 -4.341 0.789 1.00 0.00 H new ATOM 410 N LYS A 27 -4.599 -2.058 3.883 1.00 0.00 N ATOM 411 CA LYS A 27 -3.998 -0.874 4.468 1.00 0.00 C ATOM 412 C LYS A 27 -3.056 -1.241 5.603 1.00 0.00 C ATOM 413 O LYS A 27 -2.032 -0.586 5.809 1.00 0.00 O ATOM 414 CB LYS A 27 -5.089 0.053 4.986 1.00 0.00 C ATOM 415 CG LYS A 27 -5.662 0.964 3.920 1.00 0.00 C ATOM 416 CD LYS A 27 -7.150 1.171 4.121 1.00 0.00 C ATOM 417 CE LYS A 27 -7.638 2.438 3.438 1.00 0.00 C ATOM 418 NZ LYS A 27 -8.731 3.096 4.205 1.00 0.00 N ATOM 0 H LYS A 27 -5.619 -2.056 3.888 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.420 -0.367 3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.894 -0.547 5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.684 0.662 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.151 1.926 3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.481 0.534 2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.694 0.312 3.727 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.369 1.225 5.187 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.806 3.132 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.992 2.197 2.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.408 3.528 3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.221 2.388 4.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.329 3.833 4.820 1.00 0.00 H new ATOM 432 N GLU A 28 -3.412 -2.278 6.349 1.00 0.00 N ATOM 433 CA GLU A 28 -2.592 -2.707 7.476 1.00 0.00 C ATOM 434 C GLU A 28 -1.210 -3.170 7.022 1.00 0.00 C ATOM 435 O GLU A 28 -0.196 -2.616 7.444 1.00 0.00 O ATOM 436 CB GLU A 28 -3.293 -3.822 8.253 1.00 0.00 C ATOM 437 CG GLU A 28 -4.040 -3.329 9.482 1.00 0.00 C ATOM 438 CD GLU A 28 -4.154 -4.391 10.559 1.00 0.00 C ATOM 439 OE1 GLU A 28 -3.155 -4.624 11.272 1.00 0.00 O ATOM 440 OE2 GLU A 28 -5.243 -4.989 10.691 1.00 0.00 O ATOM 0 H GLU A 28 -4.254 -2.833 6.198 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.457 -1.846 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.994 -4.330 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.553 -4.561 8.560 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.527 -2.457 9.889 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.039 -3.004 9.190 1.00 0.00 H new ATOM 447 N VAL A 29 -1.167 -4.192 6.172 1.00 0.00 N ATOM 448 CA VAL A 29 0.108 -4.719 5.688 1.00 0.00 C ATOM 449 C VAL A 29 0.967 -3.612 5.075 1.00 0.00 C ATOM 450 O VAL A 29 2.126 -3.429 5.455 1.00 0.00 O ATOM 451 CB VAL A 29 -0.108 -5.870 4.670 1.00 0.00 C ATOM 452 CG1 VAL A 29 1.100 -6.066 3.763 1.00 0.00 C ATOM 453 CG2 VAL A 29 -0.419 -7.165 5.402 1.00 0.00 C ATOM 0 H VAL A 29 -1.991 -4.669 5.806 1.00 0.00 H new ATOM 0 HA VAL A 29 0.641 -5.125 6.548 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.953 -5.592 4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.904 -6.882 3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.288 -5.149 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.974 -6.308 4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.569 -7.966 4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 29 0.413 -7.421 6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.324 -7.039 5.996 1.00 0.00 H new ATOM 463 N VAL A 30 0.396 -2.878 4.127 1.00 0.00 N ATOM 464 CA VAL A 30 1.127 -1.796 3.469 1.00 0.00 C ATOM 465 C VAL A 30 1.606 -0.746 4.453 1.00 0.00 C ATOM 466 O VAL A 30 2.793 -0.621 4.727 1.00 0.00 O ATOM 467 CB VAL A 30 0.265 -1.039 2.434 1.00 0.00 C ATOM 468 CG1 VAL A 30 -1.156 -0.853 2.942 1.00 0.00 C ATOM 469 CG2 VAL A 30 0.880 0.325 2.145 1.00 0.00 C ATOM 0 H VAL A 30 -0.561 -3.008 3.798 1.00 0.00 H new ATOM 0 HA VAL A 30 1.966 -2.296 2.984 1.00 0.00 H new ATOM 0 HB VAL A 30 0.235 -1.631 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.742 -0.318 2.195 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.607 -1.828 3.127 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.139 -0.280 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.267 0.853 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.927 0.905 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.886 0.194 1.747 1.00 0.00 H new ATOM 479 N ALA A 31 0.654 0.038 4.928 1.00 0.00 N ATOM 480 CA ALA A 31 0.922 1.131 5.822 1.00 0.00 C ATOM 481 C ALA A 31 1.790 0.729 7.008 1.00 0.00 C ATOM 482 O ALA A 31 2.529 1.554 7.544 1.00 0.00 O ATOM 483 CB ALA A 31 -0.386 1.734 6.272 1.00 0.00 C ATOM 0 H ALA A 31 -0.333 -0.074 4.697 1.00 0.00 H new ATOM 0 HA ALA A 31 1.500 1.878 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.190 2.564 6.951 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.937 2.097 5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.978 0.977 6.786 1.00 0.00 H new ATOM 489 N LYS A 32 1.726 -0.535 7.408 1.00 0.00 N ATOM 490 CA LYS A 32 2.541 -1.006 8.519 1.00 0.00 C ATOM 491 C LYS A 32 4.003 -1.039 8.097 1.00 0.00 C ATOM 492 O LYS A 32 4.870 -0.470 8.760 1.00 0.00 O ATOM 493 CB LYS A 32 2.086 -2.393 8.972 1.00 0.00 C ATOM 494 CG LYS A 32 2.854 -2.915 10.174 1.00 0.00 C ATOM 495 CD LYS A 32 2.693 -4.419 10.330 1.00 0.00 C ATOM 496 CE LYS A 32 3.405 -5.176 9.219 1.00 0.00 C ATOM 497 NZ LYS A 32 4.724 -5.704 9.663 1.00 0.00 N ATOM 0 H LYS A 32 1.126 -1.244 6.986 1.00 0.00 H new ATOM 0 HA LYS A 32 2.424 -0.322 9.359 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.024 -2.358 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.200 -3.093 8.145 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.911 -2.671 10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.502 -2.415 11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.091 -4.730 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.633 -4.675 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.778 -6.002 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.548 -4.516 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.177 -6.213 8.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.332 -4.914 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.586 -6.354 10.463 1.00 0.00 H new ATOM 511 N ARG A 33 4.260 -1.702 6.976 1.00 0.00 N ATOM 512 CA ARG A 33 5.609 -1.808 6.438 1.00 0.00 C ATOM 513 C ARG A 33 5.931 -0.640 5.506 1.00 0.00 C ATOM 514 O ARG A 33 7.058 -0.512 5.028 1.00 0.00 O ATOM 515 CB ARG A 33 5.771 -3.126 5.683 1.00 0.00 C ATOM 516 CG ARG A 33 5.445 -4.351 6.523 1.00 0.00 C ATOM 517 CD ARG A 33 6.585 -5.357 6.510 1.00 0.00 C ATOM 518 NE ARG A 33 6.101 -6.736 6.521 1.00 0.00 N ATOM 519 CZ ARG A 33 6.890 -7.797 6.672 1.00 0.00 C ATOM 520 NH1 ARG A 33 8.200 -7.642 6.824 1.00 0.00 N ATOM 521 NH2 ARG A 33 6.370 -9.016 6.669 1.00 0.00 N ATOM 0 H ARG A 33 3.548 -2.176 6.420 1.00 0.00 H new ATOM 0 HA ARG A 33 6.305 -1.778 7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.124 -3.115 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.797 -3.205 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.240 -4.045 7.549 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.538 -4.822 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.200 -5.196 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.225 -5.191 7.377 1.00 0.00 H new ATOM 0 HE ARG A 33 5.100 -6.894 6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.606 -6.706 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.800 -8.459 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.365 -9.141 6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.975 -9.829 6.785 1.00 0.00 H new ATOM 535 N GLN A 34 4.935 0.204 5.234 1.00 0.00 N ATOM 536 CA GLN A 34 5.120 1.343 4.343 1.00 0.00 C ATOM 537 C GLN A 34 5.808 2.510 5.056 1.00 0.00 C ATOM 538 O GLN A 34 6.123 3.525 4.435 1.00 0.00 O ATOM 539 CB GLN A 34 3.758 1.790 3.787 1.00 0.00 C ATOM 540 CG GLN A 34 3.852 2.877 2.728 1.00 0.00 C ATOM 541 CD GLN A 34 3.365 2.412 1.369 1.00 0.00 C ATOM 542 OE1 GLN A 34 2.394 2.943 0.830 1.00 0.00 O ATOM 543 NE2 GLN A 34 4.038 1.414 0.809 1.00 0.00 N ATOM 0 H GLN A 34 3.994 0.118 5.619 1.00 0.00 H new ATOM 0 HA GLN A 34 5.766 1.031 3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.249 0.925 3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.141 2.151 4.610 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.265 3.739 3.045 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.887 3.209 2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.837 1.004 1.292 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.756 1.058 -0.104 1.00 0.00 H new ATOM 552 N GLY A 35 6.009 2.376 6.365 1.00 0.00 N ATOM 553 CA GLY A 35 6.620 3.453 7.129 1.00 0.00 C ATOM 554 C GLY A 35 5.643 4.595 7.228 1.00 0.00 C ATOM 555 O GLY A 35 6.000 5.769 7.128 1.00 0.00 O ATOM 0 H GLY A 35 5.762 1.548 6.907 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.892 3.102 8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.539 3.784 6.646 1.00 0.00 H new ATOM 559 N VAL A 36 4.389 4.203 7.367 1.00 0.00 N ATOM 560 CA VAL A 36 3.268 5.112 7.421 1.00 0.00 C ATOM 561 C VAL A 36 2.222 4.564 8.396 1.00 0.00 C ATOM 562 O VAL A 36 2.459 3.537 9.032 1.00 0.00 O ATOM 563 CB VAL A 36 2.675 5.267 6.000 1.00 0.00 C ATOM 564 CG1 VAL A 36 3.778 5.214 4.955 1.00 0.00 C ATOM 565 CG2 VAL A 36 1.651 4.181 5.723 1.00 0.00 C ATOM 0 H VAL A 36 4.121 3.222 7.447 1.00 0.00 H new ATOM 0 HA VAL A 36 3.589 6.092 7.773 1.00 0.00 H new ATOM 0 HB VAL A 36 2.180 6.237 5.945 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.344 5.325 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.487 6.023 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.295 4.257 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.247 4.309 4.719 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.127 3.204 5.800 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.842 4.249 6.451 1.00 0.00 H new ATOM 575 N PRO A 37 1.034 5.186 8.506 1.00 0.00 N ATOM 576 CA PRO A 37 -0.031 4.685 9.374 1.00 0.00 C ATOM 577 C PRO A 37 -0.528 3.374 8.857 1.00 0.00 C ATOM 578 O PRO A 37 0.234 2.600 8.294 1.00 0.00 O ATOM 579 CB PRO A 37 -1.134 5.706 9.217 1.00 0.00 C ATOM 580 CG PRO A 37 -0.929 6.142 7.838 1.00 0.00 C ATOM 581 CD PRO A 37 0.556 6.362 7.755 1.00 0.00 C ATOM 0 HA PRO A 37 0.299 4.546 10.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.122 5.270 9.367 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.037 6.528 9.926 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.263 5.388 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.483 7.055 7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.918 6.375 6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.864 7.302 8.213 1.00 0.00 H new ATOM 589 N ALA A 38 -1.801 3.125 9.089 1.00 0.00 N ATOM 590 CA ALA A 38 -2.436 1.918 8.673 1.00 0.00 C ATOM 591 C ALA A 38 -3.356 2.104 7.460 1.00 0.00 C ATOM 592 O ALA A 38 -3.100 1.567 6.386 1.00 0.00 O ATOM 593 CB ALA A 38 -3.230 1.456 9.838 1.00 0.00 C ATOM 0 H ALA A 38 -2.420 3.771 9.579 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.680 1.198 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.744 0.529 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.566 1.282 10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.964 2.217 10.103 1.00 0.00 H new ATOM 599 N ASP A 39 -4.459 2.828 7.671 1.00 0.00 N ATOM 600 CA ASP A 39 -5.475 3.046 6.636 1.00 0.00 C ATOM 601 C ASP A 39 -5.573 4.494 6.153 1.00 0.00 C ATOM 602 O ASP A 39 -6.656 4.939 5.773 1.00 0.00 O ATOM 603 CB ASP A 39 -6.840 2.593 7.155 1.00 0.00 C ATOM 604 CG ASP A 39 -7.124 3.095 8.557 1.00 0.00 C ATOM 605 OD1 ASP A 39 -6.681 4.215 8.887 1.00 0.00 O ATOM 606 OD2 ASP A 39 -7.789 2.368 9.325 1.00 0.00 O ATOM 0 H ASP A 39 -4.673 3.278 8.561 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.163 2.454 5.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.618 2.950 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.885 1.504 7.146 1.00 0.00 H new ATOM 611 N GLN A 40 -4.481 5.241 6.191 1.00 0.00 N ATOM 612 CA GLN A 40 -4.523 6.642 5.776 1.00 0.00 C ATOM 613 C GLN A 40 -5.120 6.825 4.375 1.00 0.00 C ATOM 614 O GLN A 40 -6.253 7.283 4.234 1.00 0.00 O ATOM 615 CB GLN A 40 -3.119 7.249 5.812 1.00 0.00 C ATOM 616 CG GLN A 40 -3.009 8.603 5.124 1.00 0.00 C ATOM 617 CD GLN A 40 -3.821 9.678 5.818 1.00 0.00 C ATOM 618 OE1 GLN A 40 -4.763 10.227 5.245 1.00 0.00 O ATOM 619 NE2 GLN A 40 -3.461 9.983 7.059 1.00 0.00 N ATOM 0 H GLN A 40 -3.566 4.911 6.499 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.173 7.158 6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.807 7.355 6.851 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.423 6.556 5.340 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.963 8.907 5.093 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.344 8.510 4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.674 9.502 7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.972 10.698 7.577 1.00 0.00 H new ATOM 628 N LEU A 41 -4.337 6.513 3.348 1.00 0.00 N ATOM 629 CA LEU A 41 -4.769 6.692 1.969 1.00 0.00 C ATOM 630 C LEU A 41 -5.589 5.500 1.441 1.00 0.00 C ATOM 631 O LEU A 41 -6.452 4.984 2.151 1.00 0.00 O ATOM 632 CB LEU A 41 -3.526 6.951 1.121 1.00 0.00 C ATOM 633 CG LEU A 41 -3.634 8.079 0.094 1.00 0.00 C ATOM 634 CD1 LEU A 41 -4.402 9.267 0.659 1.00 0.00 C ATOM 635 CD2 LEU A 41 -2.244 8.508 -0.338 1.00 0.00 C ATOM 0 H LEU A 41 -3.396 6.133 3.447 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.447 7.544 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.695 7.175 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.272 6.031 0.594 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.184 7.708 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.462 10.053 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.408 8.952 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.886 9.648 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.322 9.312 -1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.686 8.860 0.529 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.724 7.660 -0.784 1.00 0.00 H new ATOM 647 N ARG A 42 -5.346 5.078 0.190 1.00 0.00 N ATOM 648 CA ARG A 42 -6.102 3.970 -0.401 1.00 0.00 C ATOM 649 C ARG A 42 -5.197 2.929 -1.056 1.00 0.00 C ATOM 650 O ARG A 42 -4.227 3.260 -1.731 1.00 0.00 O ATOM 651 CB ARG A 42 -7.083 4.504 -1.442 1.00 0.00 C ATOM 652 CG ARG A 42 -8.312 5.168 -0.842 1.00 0.00 C ATOM 653 CD ARG A 42 -8.235 6.683 -0.944 1.00 0.00 C ATOM 654 NE ARG A 42 -8.500 7.155 -2.303 1.00 0.00 N ATOM 655 CZ ARG A 42 -7.601 7.764 -3.075 1.00 0.00 C ATOM 656 NH1 ARG A 42 -6.365 7.976 -2.640 1.00 0.00 N ATOM 657 NH2 ARG A 42 -7.941 8.161 -4.295 1.00 0.00 N ATOM 0 H ARG A 42 -4.639 5.484 -0.423 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.638 3.482 0.413 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.567 5.223 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.402 3.682 -2.083 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.205 4.813 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.409 4.878 0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.955 7.130 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.246 7.018 -0.630 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.434 7.008 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.094 7.672 -1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.686 8.443 -3.241 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.888 8.000 -4.639 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.256 8.628 -4.889 1.00 0.00 H new ATOM 671 N VAL A 43 -5.539 1.665 -0.868 1.00 0.00 N ATOM 672 CA VAL A 43 -4.772 0.569 -1.444 1.00 0.00 C ATOM 673 C VAL A 43 -5.564 -0.109 -2.568 1.00 0.00 C ATOM 674 O VAL A 43 -6.791 -0.182 -2.512 1.00 0.00 O ATOM 675 CB VAL A 43 -4.374 -0.432 -0.346 1.00 0.00 C ATOM 676 CG1 VAL A 43 -3.299 -1.373 -0.832 1.00 0.00 C ATOM 677 CG2 VAL A 43 -3.895 0.320 0.888 1.00 0.00 C ATOM 0 H VAL A 43 -6.346 1.370 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.857 0.966 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.251 -1.027 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.037 -2.069 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.665 -1.930 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.416 -0.801 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.614 -0.394 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.031 0.932 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.696 0.960 1.258 1.00 0.00 H new ATOM 687 N ILE A 44 -4.866 -0.555 -3.616 1.00 0.00 N ATOM 688 CA ILE A 44 -5.530 -1.163 -4.773 1.00 0.00 C ATOM 689 C ILE A 44 -4.791 -2.399 -5.294 1.00 0.00 C ATOM 690 O ILE A 44 -3.601 -2.556 -5.072 1.00 0.00 O ATOM 691 CB ILE A 44 -5.646 -0.124 -5.913 1.00 0.00 C ATOM 692 CG1 ILE A 44 -6.497 1.064 -5.460 1.00 0.00 C ATOM 693 CG2 ILE A 44 -6.226 -0.745 -7.173 1.00 0.00 C ATOM 694 CD1 ILE A 44 -5.681 2.240 -4.968 1.00 0.00 C ATOM 0 H ILE A 44 -3.850 -0.507 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.518 -1.484 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.643 0.229 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.124 1.389 -6.290 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.166 0.738 -4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.294 0.012 -7.954 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.580 -1.556 -7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.221 -1.137 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.350 3.045 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.074 1.931 -4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.031 2.592 -5.769 1.00 0.00 H new ATOM 706 N PHE A 45 -5.510 -3.248 -6.028 1.00 0.00 N ATOM 707 CA PHE A 45 -4.927 -4.452 -6.631 1.00 0.00 C ATOM 708 C PHE A 45 -5.377 -4.563 -8.079 1.00 0.00 C ATOM 709 O PHE A 45 -6.454 -4.092 -8.424 1.00 0.00 O ATOM 710 CB PHE A 45 -5.308 -5.719 -5.851 1.00 0.00 C ATOM 711 CG PHE A 45 -5.127 -6.991 -6.633 1.00 0.00 C ATOM 712 CD1 PHE A 45 -3.884 -7.449 -6.995 1.00 0.00 C ATOM 713 CD2 PHE A 45 -6.216 -7.694 -7.029 1.00 0.00 C ATOM 714 CE1 PHE A 45 -3.735 -8.599 -7.738 1.00 0.00 C ATOM 715 CE2 PHE A 45 -6.097 -8.843 -7.783 1.00 0.00 C ATOM 716 CZ PHE A 45 -4.848 -9.300 -8.139 1.00 0.00 C ATOM 0 H PHE A 45 -6.504 -3.125 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.841 -4.363 -6.592 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.705 -5.772 -4.945 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.349 -5.642 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.007 -6.897 -6.691 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.199 -7.347 -6.748 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.749 -8.949 -8.004 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.980 -9.382 -8.093 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.743 -10.200 -8.727 1.00 0.00 H new ATOM 726 N ALA A 46 -4.574 -5.238 -8.901 1.00 0.00 N ATOM 727 CA ALA A 46 -4.892 -5.477 -10.314 1.00 0.00 C ATOM 728 C ALA A 46 -5.828 -4.421 -10.922 1.00 0.00 C ATOM 729 O ALA A 46 -6.657 -4.739 -11.773 1.00 0.00 O ATOM 730 CB ALA A 46 -5.485 -6.867 -10.468 1.00 0.00 C ATOM 0 H ALA A 46 -3.682 -5.637 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.957 -5.399 -10.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.722 -7.047 -11.516 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.764 -7.610 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.395 -6.943 -9.872 1.00 0.00 H new ATOM 736 N GLY A 47 -5.687 -3.171 -10.491 1.00 0.00 N ATOM 737 CA GLY A 47 -6.529 -2.101 -11.015 1.00 0.00 C ATOM 738 C GLY A 47 -7.859 -1.959 -10.294 1.00 0.00 C ATOM 739 O GLY A 47 -8.531 -0.937 -10.431 1.00 0.00 O ATOM 0 H GLY A 47 -5.007 -2.877 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.987 -1.158 -10.947 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.717 -2.284 -12.073 1.00 0.00 H new ATOM 743 N LYS A 48 -8.236 -2.963 -9.512 1.00 0.00 N ATOM 744 CA LYS A 48 -9.482 -2.908 -8.765 1.00 0.00 C ATOM 745 C LYS A 48 -9.219 -2.306 -7.390 1.00 0.00 C ATOM 746 O LYS A 48 -8.441 -2.841 -6.602 1.00 0.00 O ATOM 747 CB LYS A 48 -10.100 -4.301 -8.639 1.00 0.00 C ATOM 748 CG LYS A 48 -10.401 -4.956 -9.976 1.00 0.00 C ATOM 749 CD LYS A 48 -9.892 -6.387 -10.024 1.00 0.00 C ATOM 750 CE LYS A 48 -8.453 -6.442 -10.504 1.00 0.00 C ATOM 751 NZ LYS A 48 -8.365 -6.681 -11.972 1.00 0.00 N ATOM 0 H LYS A 48 -7.699 -3.820 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.193 -2.279 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.421 -4.941 -8.075 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.023 -4.229 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.476 -4.945 -10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.940 -4.378 -10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.965 -6.835 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.523 -6.978 -10.688 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.952 -5.505 -10.258 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.924 -7.235 -9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.176 -7.688 -12.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.264 -6.413 -12.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.594 -6.109 -12.371 1.00 0.00 H new ATOM 765 N GLU A 49 -9.841 -1.162 -7.138 1.00 0.00 N ATOM 766 CA GLU A 49 -9.646 -0.428 -5.887 1.00 0.00 C ATOM 767 C GLU A 49 -10.162 -1.180 -4.656 1.00 0.00 C ATOM 768 O GLU A 49 -11.256 -1.747 -4.659 1.00 0.00 O ATOM 769 CB GLU A 49 -10.324 0.941 -5.978 1.00 0.00 C ATOM 770 CG GLU A 49 -10.182 1.781 -4.719 1.00 0.00 C ATOM 771 CD GLU A 49 -9.952 3.249 -5.020 1.00 0.00 C ATOM 772 OE1 GLU A 49 -10.517 3.746 -6.017 1.00 0.00 O ATOM 773 OE2 GLU A 49 -9.207 3.902 -4.258 1.00 0.00 O ATOM 0 H GLU A 49 -10.490 -0.717 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.570 -0.313 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.901 1.490 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.383 0.798 -6.191 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.082 1.675 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.351 1.401 -4.125 1.00 0.00 H new ATOM 780 N LEU A 50 -9.325 -1.165 -3.612 1.00 0.00 N ATOM 781 CA LEU A 50 -9.580 -1.816 -2.318 1.00 0.00 C ATOM 782 C LEU A 50 -11.032 -2.244 -2.088 1.00 0.00 C ATOM 783 O LEU A 50 -11.821 -1.510 -1.494 1.00 0.00 O ATOM 784 CB LEU A 50 -9.146 -0.885 -1.184 1.00 0.00 C ATOM 785 CG LEU A 50 -9.306 0.613 -1.463 1.00 0.00 C ATOM 786 CD1 LEU A 50 -10.756 0.949 -1.777 1.00 0.00 C ATOM 787 CD2 LEU A 50 -8.816 1.431 -0.278 1.00 0.00 C ATOM 0 H LEU A 50 -8.425 -0.686 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.995 -2.735 -2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.721 -1.134 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.099 -1.084 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.699 0.865 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.848 2.017 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.077 0.391 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.384 0.680 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.937 2.493 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.396 1.172 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.763 1.215 -0.098 1.00 0.00 H new ATOM 799 N ARG A 51 -11.354 -3.466 -2.497 1.00 0.00 N ATOM 800 CA ARG A 51 -12.681 -4.032 -2.272 1.00 0.00 C ATOM 801 C ARG A 51 -12.557 -5.311 -1.438 1.00 0.00 C ATOM 802 O ARG A 51 -11.897 -6.265 -1.841 1.00 0.00 O ATOM 803 CB ARG A 51 -13.412 -4.306 -3.590 1.00 0.00 C ATOM 804 CG ARG A 51 -14.798 -3.680 -3.643 1.00 0.00 C ATOM 805 CD ARG A 51 -15.116 -3.129 -5.023 1.00 0.00 C ATOM 806 NE ARG A 51 -14.379 -1.902 -5.309 1.00 0.00 N ATOM 807 CZ ARG A 51 -14.610 -0.740 -4.699 1.00 0.00 C ATOM 808 NH1 ARG A 51 -15.546 -0.647 -3.763 1.00 0.00 N ATOM 809 NH2 ARG A 51 -13.902 0.332 -5.027 1.00 0.00 N ATOM 0 H ARG A 51 -10.711 -4.087 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.278 -3.303 -1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.814 -3.922 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.500 -5.383 -3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.544 -4.426 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -14.863 -2.878 -2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.876 -3.879 -5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.186 -2.934 -5.097 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.645 -1.936 -6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.094 -1.468 -3.506 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.717 0.246 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.181 0.267 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.078 1.222 -4.561 1.00 0.00 H new ATOM 823 N ASN A 52 -13.178 -5.294 -0.271 1.00 0.00 N ATOM 824 CA ASN A 52 -13.143 -6.406 0.677 1.00 0.00 C ATOM 825 C ASN A 52 -13.359 -7.768 0.024 1.00 0.00 C ATOM 826 O ASN A 52 -12.641 -8.715 0.329 1.00 0.00 O ATOM 827 CB ASN A 52 -14.192 -6.189 1.768 1.00 0.00 C ATOM 828 CG ASN A 52 -15.606 -6.197 1.222 1.00 0.00 C ATOM 829 OD1 ASN A 52 -15.945 -5.415 0.335 1.00 0.00 O ATOM 830 ND2 ASN A 52 -16.440 -7.083 1.754 1.00 0.00 N ATOM 0 H ASN A 52 -13.729 -4.499 0.053 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.140 -6.418 1.104 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.093 -6.969 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.003 -5.238 2.265 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.405 -7.134 1.429 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.115 -7.712 2.488 1.00 0.00 H new ATOM 837 N ASP A 53 -14.363 -7.893 -0.831 1.00 0.00 N ATOM 838 CA ASP A 53 -14.649 -9.179 -1.465 1.00 0.00 C ATOM 839 C ASP A 53 -14.540 -9.118 -2.985 1.00 0.00 C ATOM 840 O ASP A 53 -14.537 -10.150 -3.655 1.00 0.00 O ATOM 841 CB ASP A 53 -16.049 -9.652 -1.069 1.00 0.00 C ATOM 842 CG ASP A 53 -16.018 -10.870 -0.168 1.00 0.00 C ATOM 843 OD1 ASP A 53 -15.395 -10.794 0.912 1.00 0.00 O ATOM 844 OD2 ASP A 53 -16.615 -11.901 -0.542 1.00 0.00 O ATOM 0 H ASP A 53 -14.988 -7.133 -1.102 1.00 0.00 H new ATOM 0 HA ASP A 53 -13.898 -9.886 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.572 -8.842 -0.561 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.618 -9.884 -1.969 1.00 0.00 H new ATOM 849 N TRP A 54 -14.502 -7.914 -3.532 1.00 0.00 N ATOM 850 CA TRP A 54 -14.454 -7.739 -4.978 1.00 0.00 C ATOM 851 C TRP A 54 -13.059 -7.494 -5.529 1.00 0.00 C ATOM 852 O TRP A 54 -12.813 -7.771 -6.701 1.00 0.00 O ATOM 853 CB TRP A 54 -15.333 -6.571 -5.363 1.00 0.00 C ATOM 854 CG TRP A 54 -15.747 -6.572 -6.802 1.00 0.00 C ATOM 855 CD1 TRP A 54 -16.743 -7.314 -7.371 1.00 0.00 C ATOM 856 CD2 TRP A 54 -15.172 -5.793 -7.857 1.00 0.00 C ATOM 857 NE1 TRP A 54 -16.822 -7.043 -8.715 1.00 0.00 N ATOM 858 CE2 TRP A 54 -15.869 -6.112 -9.038 1.00 0.00 C ATOM 859 CE3 TRP A 54 -14.136 -4.854 -7.916 1.00 0.00 C ATOM 860 CZ2 TRP A 54 -15.563 -5.526 -10.263 1.00 0.00 C ATOM 861 CZ3 TRP A 54 -13.835 -4.274 -9.135 1.00 0.00 C ATOM 862 CH2 TRP A 54 -14.546 -4.612 -10.294 1.00 0.00 C ATOM 0 H TRP A 54 -14.503 -7.044 -3.000 1.00 0.00 H new ATOM 0 HA TRP A 54 -14.804 -8.677 -5.410 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -16.226 -6.579 -4.738 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -14.803 -5.643 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -17.375 -8.011 -6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -17.483 -7.466 -9.367 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -13.583 -4.588 -7.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.110 -5.784 -11.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -13.038 -3.548 -9.195 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -14.286 -4.141 -11.231 1.00 0.00 H new ATOM 873 N THR A 55 -12.162 -6.931 -4.724 1.00 0.00 N ATOM 874 CA THR A 55 -10.814 -6.630 -5.208 1.00 0.00 C ATOM 875 C THR A 55 -9.721 -7.525 -4.612 1.00 0.00 C ATOM 876 O THR A 55 -8.651 -7.667 -5.199 1.00 0.00 O ATOM 877 CB THR A 55 -10.485 -5.171 -4.928 1.00 0.00 C ATOM 878 OG1 THR A 55 -10.826 -4.357 -6.032 1.00 0.00 O ATOM 879 CG2 THR A 55 -9.027 -4.930 -4.610 1.00 0.00 C ATOM 0 H THR A 55 -12.337 -6.677 -3.752 1.00 0.00 H new ATOM 0 HA THR A 55 -10.824 -6.831 -6.279 1.00 0.00 H new ATOM 0 HB THR A 55 -11.075 -4.911 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.017 -3.447 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.866 -3.869 -4.422 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.748 -5.502 -3.725 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.414 -5.246 -5.454 1.00 0.00 H new ATOM 887 N VAL A 56 -9.949 -8.061 -3.422 1.00 0.00 N ATOM 888 CA VAL A 56 -8.917 -8.853 -2.751 1.00 0.00 C ATOM 889 C VAL A 56 -8.837 -10.322 -3.216 1.00 0.00 C ATOM 890 O VAL A 56 -8.872 -10.600 -4.408 1.00 0.00 O ATOM 891 CB VAL A 56 -9.234 -8.790 -1.253 1.00 0.00 C ATOM 892 CG1 VAL A 56 -9.552 -7.366 -0.874 1.00 0.00 C ATOM 893 CG2 VAL A 56 -10.431 -9.643 -0.906 1.00 0.00 C ATOM 0 H VAL A 56 -10.823 -7.967 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.942 -8.434 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.364 -9.160 -0.711 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.778 -7.315 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.694 -6.731 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.414 -7.021 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.628 -9.575 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.302 -9.290 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.228 -10.680 -1.173 1.00 0.00 H new ATOM 903 N GLN A 57 -8.758 -11.262 -2.266 1.00 0.00 N ATOM 904 CA GLN A 57 -8.709 -12.683 -2.583 1.00 0.00 C ATOM 905 C GLN A 57 -10.084 -13.124 -3.038 1.00 0.00 C ATOM 906 O GLN A 57 -10.227 -13.934 -3.953 1.00 0.00 O ATOM 907 CB GLN A 57 -8.265 -13.495 -1.365 1.00 0.00 C ATOM 908 CG GLN A 57 -6.756 -13.620 -1.236 1.00 0.00 C ATOM 909 CD GLN A 57 -6.249 -14.994 -1.628 1.00 0.00 C ATOM 910 OE1 GLN A 57 -6.800 -15.542 -2.705 1.00 0.00 O flip ATOM 911 NE2 GLN A 57 -5.372 -15.556 -0.972 1.00 0.00 N flip ATOM 0 H GLN A 57 -8.727 -11.056 -1.268 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.983 -12.854 -3.378 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.661 -13.028 -0.463 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.700 -14.493 -1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.278 -12.868 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -6.464 -13.409 -0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.977 -15.098 -0.151 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.041 -16.480 -1.249 1.00 0.00 H new ATOM 920 N ASN A 58 -11.098 -12.532 -2.415 1.00 0.00 N ATOM 921 CA ASN A 58 -12.475 -12.808 -2.781 1.00 0.00 C ATOM 922 C ASN A 58 -12.761 -12.178 -4.142 1.00 0.00 C ATOM 923 O ASN A 58 -13.858 -12.301 -4.688 1.00 0.00 O ATOM 924 CB ASN A 58 -13.438 -12.271 -1.721 1.00 0.00 C ATOM 925 CG ASN A 58 -13.987 -13.368 -0.830 1.00 0.00 C ATOM 926 OD1 ASN A 58 -14.255 -14.479 -1.289 1.00 0.00 O ATOM 927 ND2 ASN A 58 -14.159 -13.062 0.450 1.00 0.00 N ATOM 0 H ASN A 58 -10.988 -11.860 -1.656 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.624 -13.886 -2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.923 -11.532 -1.107 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.265 -11.758 -2.212 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -14.527 -13.760 1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -13.924 -12.129 0.787 1.00 0.00 H new ATOM 934 N CYS A 59 -11.735 -11.529 -4.690 1.00 0.00 N ATOM 935 CA CYS A 59 -11.821 -10.904 -5.990 1.00 0.00 C ATOM 936 C CYS A 59 -11.245 -11.863 -7.039 1.00 0.00 C ATOM 937 O CYS A 59 -11.978 -12.563 -7.738 1.00 0.00 O ATOM 938 CB CYS A 59 -10.992 -9.617 -5.947 1.00 0.00 C ATOM 939 SG CYS A 59 -10.507 -8.973 -7.572 1.00 0.00 S ATOM 0 H CYS A 59 -10.826 -11.427 -4.239 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.855 -10.674 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.563 -8.850 -5.423 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.092 -9.800 -5.360 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.358 -8.067 -7.951 1.00 0.00 H new ATOM 945 N ASP A 60 -9.916 -11.927 -7.074 1.00 0.00 N ATOM 946 CA ASP A 60 -9.191 -12.840 -7.952 1.00 0.00 C ATOM 947 C ASP A 60 -7.707 -12.854 -7.584 1.00 0.00 C ATOM 948 O ASP A 60 -6.899 -12.224 -8.269 1.00 0.00 O ATOM 949 CB ASP A 60 -9.367 -12.429 -9.416 1.00 0.00 C ATOM 950 CG ASP A 60 -9.315 -13.612 -10.360 1.00 0.00 C ATOM 951 OD1 ASP A 60 -10.325 -14.341 -10.458 1.00 0.00 O ATOM 952 OD2 ASP A 60 -8.262 -13.813 -11.003 1.00 0.00 O ATOM 0 H ASP A 60 -9.311 -11.346 -6.493 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.598 -13.843 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.321 -11.916 -9.534 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.587 -11.718 -9.687 1.00 0.00 H new ATOM 957 N LEU A 61 -7.339 -13.536 -6.503 1.00 0.00 N ATOM 958 CA LEU A 61 -5.944 -13.566 -6.077 1.00 0.00 C ATOM 959 C LEU A 61 -5.340 -14.961 -6.112 1.00 0.00 C ATOM 960 O LEU A 61 -6.028 -15.967 -5.939 1.00 0.00 O ATOM 961 CB LEU A 61 -5.799 -12.986 -4.667 1.00 0.00 C ATOM 962 CG LEU A 61 -6.123 -11.490 -4.509 1.00 0.00 C ATOM 963 CD1 LEU A 61 -4.910 -10.718 -4.051 1.00 0.00 C ATOM 964 CD2 LEU A 61 -6.638 -10.882 -5.797 1.00 0.00 C ATOM 0 H LEU A 61 -7.978 -14.069 -5.913 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.395 -12.954 -6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.448 -13.549 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.775 -13.152 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.906 -11.421 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.167 -9.664 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.574 -11.106 -3.089 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.111 -10.826 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.854 -9.825 -5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.883 -10.986 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.549 -11.397 -6.104 1.00 0.00 H new ATOM 976 N ASP A 62 -4.030 -14.989 -6.307 1.00 0.00 N ATOM 977 CA ASP A 62 -3.268 -16.232 -6.337 1.00 0.00 C ATOM 978 C ASP A 62 -2.248 -16.221 -5.204 1.00 0.00 C ATOM 979 O ASP A 62 -2.145 -15.232 -4.477 1.00 0.00 O ATOM 980 CB ASP A 62 -2.562 -16.397 -7.686 1.00 0.00 C ATOM 981 CG ASP A 62 -3.239 -17.428 -8.569 1.00 0.00 C ATOM 982 OD1 ASP A 62 -4.346 -17.142 -9.073 1.00 0.00 O ATOM 983 OD2 ASP A 62 -2.661 -18.518 -8.758 1.00 0.00 O ATOM 0 H ASP A 62 -3.464 -14.152 -6.449 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.948 -17.074 -6.206 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.541 -15.437 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.526 -16.691 -7.518 1.00 0.00 H new ATOM 988 N GLN A 63 -1.494 -17.305 -5.037 1.00 0.00 N ATOM 989 CA GLN A 63 -0.503 -17.358 -3.967 1.00 0.00 C ATOM 990 C GLN A 63 0.502 -16.225 -4.131 1.00 0.00 C ATOM 991 O GLN A 63 0.903 -15.591 -3.156 1.00 0.00 O ATOM 992 CB GLN A 63 0.229 -18.703 -3.959 1.00 0.00 C ATOM 993 CG GLN A 63 -0.650 -19.886 -4.336 1.00 0.00 C ATOM 994 CD GLN A 63 -0.048 -21.214 -3.923 1.00 0.00 C ATOM 995 OE1 GLN A 63 0.164 -21.472 -2.738 1.00 0.00 O ATOM 996 NE2 GLN A 63 0.232 -22.067 -4.902 1.00 0.00 N ATOM 0 H GLN A 63 -1.548 -18.143 -5.616 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.025 -17.246 -3.017 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.069 -18.652 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.644 -18.874 -2.966 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.627 -19.772 -3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.812 -19.884 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.040 -21.812 -5.871 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.639 -22.977 -4.685 1.00 0.00 H new ATOM 1005 N GLN A 64 0.868 -15.946 -5.378 1.00 0.00 N ATOM 1006 CA GLN A 64 1.783 -14.853 -5.673 1.00 0.00 C ATOM 1007 C GLN A 64 1.068 -13.804 -6.514 1.00 0.00 C ATOM 1008 O GLN A 64 1.124 -13.838 -7.744 1.00 0.00 O ATOM 1009 CB GLN A 64 3.019 -15.373 -6.411 1.00 0.00 C ATOM 1010 CG GLN A 64 4.235 -15.545 -5.514 1.00 0.00 C ATOM 1011 CD GLN A 64 5.256 -16.503 -6.095 1.00 0.00 C ATOM 1012 OE1 GLN A 64 5.313 -16.709 -7.307 1.00 0.00 O ATOM 1013 NE2 GLN A 64 6.070 -17.096 -5.230 1.00 0.00 N ATOM 0 H GLN A 64 0.545 -16.461 -6.197 1.00 0.00 H new ATOM 0 HA GLN A 64 2.110 -14.401 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.780 -16.331 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.267 -14.683 -7.218 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.703 -14.574 -5.353 1.00 0.00 H new ATOM 0 HG3 GLN A 64 3.914 -15.910 -4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.988 -16.896 -4.233 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.777 -17.751 -5.562 1.00 0.00 H new ATOM 1022 N SER A 65 0.388 -12.879 -5.849 1.00 0.00 N ATOM 1023 CA SER A 65 -0.346 -11.828 -6.545 1.00 0.00 C ATOM 1024 C SER A 65 0.419 -10.513 -6.528 1.00 0.00 C ATOM 1025 O SER A 65 1.380 -10.354 -5.779 1.00 0.00 O ATOM 1026 CB SER A 65 -1.729 -11.638 -5.910 1.00 0.00 C ATOM 1027 OG SER A 65 -1.920 -12.527 -4.824 1.00 0.00 O ATOM 0 H SER A 65 0.329 -12.834 -4.832 1.00 0.00 H new ATOM 0 HA SER A 65 -0.466 -12.136 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.835 -10.610 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.502 -11.804 -6.660 1.00 0.00 H new ATOM 0 HG SER A 65 -1.960 -13.448 -5.158 1.00 0.00 H new ATOM 1033 N ILE A 66 -0.033 -9.558 -7.331 1.00 0.00 N ATOM 1034 CA ILE A 66 0.585 -8.242 -7.366 1.00 0.00 C ATOM 1035 C ILE A 66 -0.505 -7.199 -7.175 1.00 0.00 C ATOM 1036 O ILE A 66 -1.452 -7.137 -7.953 1.00 0.00 O ATOM 1037 CB ILE A 66 1.356 -7.990 -8.677 1.00 0.00 C ATOM 1038 CG1 ILE A 66 0.394 -7.789 -9.853 1.00 0.00 C ATOM 1039 CG2 ILE A 66 2.308 -9.143 -8.959 1.00 0.00 C ATOM 1040 CD1 ILE A 66 0.088 -6.335 -10.144 1.00 0.00 C ATOM 0 H ILE A 66 -0.824 -9.671 -7.965 1.00 0.00 H new ATOM 0 HA ILE A 66 1.320 -8.178 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 66 1.937 -7.076 -8.559 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.823 -8.247 -10.744 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.538 -8.313 -9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.846 -8.952 -9.888 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.021 -9.235 -8.139 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.740 -10.069 -9.052 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.599 -6.270 -10.988 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.370 -5.877 -9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.012 -5.810 -10.386 1.00 0.00 H new ATOM 1052 N VAL A 67 -0.382 -6.406 -6.120 1.00 0.00 N ATOM 1053 CA VAL A 67 -1.375 -5.403 -5.792 1.00 0.00 C ATOM 1054 C VAL A 67 -0.795 -3.994 -5.840 1.00 0.00 C ATOM 1055 O VAL A 67 0.313 -3.747 -5.362 1.00 0.00 O ATOM 1056 CB VAL A 67 -1.949 -5.715 -4.393 1.00 0.00 C ATOM 1057 CG1 VAL A 67 -2.983 -4.700 -3.967 1.00 0.00 C ATOM 1058 CG2 VAL A 67 -2.554 -7.110 -4.376 1.00 0.00 C ATOM 0 H VAL A 67 0.406 -6.442 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.171 -5.437 -6.536 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.124 -5.665 -3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.360 -4.958 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.529 -3.710 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.807 -4.699 -4.680 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.956 -7.320 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.355 -7.168 -5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.785 -7.843 -4.619 1.00 0.00 H new ATOM 1068 N HIS A 68 -1.561 -3.074 -6.415 1.00 0.00 N ATOM 1069 CA HIS A 68 -1.132 -1.672 -6.522 1.00 0.00 C ATOM 1070 C HIS A 68 -1.611 -0.883 -5.308 1.00 0.00 C ATOM 1071 O HIS A 68 -2.801 -0.620 -5.158 1.00 0.00 O ATOM 1072 CB HIS A 68 -1.678 -1.045 -7.808 1.00 0.00 C ATOM 1073 CG HIS A 68 -0.670 -0.973 -8.913 1.00 0.00 C ATOM 1074 ND1 HIS A 68 0.402 -1.754 -9.186 1.00 0.00 N flip ATOM 1075 CD2 HIS A 68 -0.699 -0.008 -9.897 1.00 0.00 C flip ATOM 1076 CE1 HIS A 68 0.993 -1.251 -10.318 1.00 0.00 C flip ATOM 1077 NE2 HIS A 68 0.309 -0.199 -10.728 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.480 -3.266 -6.815 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.043 -1.642 -6.555 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.537 -1.623 -8.148 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.037 -0.039 -7.588 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.432 0.781 -9.976 1.00 0.00 H new ATOM 0 HE1 HIS A 68 1.875 -1.651 -10.796 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.523 0.370 -11.547 1.00 0.00 H new ATOM 1086 N ILE A 69 -0.688 -0.518 -4.429 1.00 0.00 N ATOM 1087 CA ILE A 69 -1.054 0.203 -3.217 1.00 0.00 C ATOM 1088 C ILE A 69 -0.760 1.688 -3.260 1.00 0.00 C ATOM 1089 O ILE A 69 0.302 2.124 -3.700 1.00 0.00 O ATOM 1090 CB ILE A 69 -0.321 -0.359 -1.992 1.00 0.00 C ATOM 1091 CG1 ILE A 69 -0.478 -1.888 -1.940 1.00 0.00 C ATOM 1092 CG2 ILE A 69 -0.836 0.334 -0.724 1.00 0.00 C ATOM 1093 CD1 ILE A 69 -0.083 -2.514 -0.620 1.00 0.00 C ATOM 0 H ILE A 69 0.309 -0.706 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.133 0.064 -3.145 1.00 0.00 H new ATOM 0 HB ILE A 69 0.747 -0.154 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.517 -2.141 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.126 -2.330 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.315 -0.066 0.146 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.653 1.406 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.906 0.154 -0.620 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.225 -3.593 -0.672 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.965 -2.296 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.703 -2.104 0.177 1.00 0.00 H new ATOM 1105 N VAL A 70 -1.684 2.448 -2.694 1.00 0.00 N ATOM 1106 CA VAL A 70 -1.507 3.866 -2.553 1.00 0.00 C ATOM 1107 C VAL A 70 -1.900 4.227 -1.131 1.00 0.00 C ATOM 1108 O VAL A 70 -2.912 4.879 -0.893 1.00 0.00 O ATOM 1109 CB VAL A 70 -2.362 4.659 -3.558 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -1.973 6.129 -3.544 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -2.219 4.079 -4.956 1.00 0.00 C ATOM 0 H VAL A 70 -2.567 2.094 -2.326 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.469 4.126 -2.758 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.408 4.578 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.587 6.675 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.130 6.537 -2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.922 6.230 -3.816 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.831 4.653 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.175 4.128 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.549 3.040 -4.954 1.00 0.00 H new