USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -0.0758 (180deg=-0.0883) USER MOD Single : A 2 GLN : amide:sc= -0.0902 K(o=-0.09,f=-2.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.463 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 138:sc= -5.69! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 75:sc= -2.13 USER MOD Single : A 35 ASN : amide:sc= -1.55! C(o=-1.5!,f=-3.4!) USER MOD Single : A 37 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.54) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -1.44! (180deg=-2.93!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 120:sc= -0.531 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.701 K(o=-0.7,f=-4.8!) USER MOD Single : A 70 LYS NZ :NH3+ 140:sc= -0.483 (180deg=-1.82!) USER MOD Single : A 71 GLN : amide:sc= 0.454 X(o=0.45,f=-0.018) USER MOD Single : A 73 HIS : no HD1:sc= -23.2! C(o=-23!,f=-24!) USER MOD Single : A 75 MET CE :methyl -175:sc= 0 (180deg=-0.0197) USER MOD Single : A 81 MET CE :methyl -171:sc= -11.4! (180deg=-11.7!) USER MOD Single : A 82 THR OG1 : rot 84:sc= -0.756 USER MOD Single : A 84 HIS : no HE2:sc= -9.13! C(o=-9.1!,f=-11!) USER MOD Single : A 85 SER OG : rot 24:sc= 0.00244 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 42:sc= 0.277 USER MOD Single : A 95 GLN : amide:sc= -1.29 K(o=-1.3,f=-3.7!) USER MOD Single : A 96 GLN : amide:sc= -2.32 K(o=-2.3,f=-7.9!) USER MOD Single : A 101 TYR OH : rot -134:sc= -9.1! USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= 1.49 (180deg=-0.249) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.964 K(o=-0.96,f=-1.7) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.100 -17.848 -0.945 1.00 0.00 N ATOM 2 CA MET A 1 9.719 -18.170 -1.392 1.00 0.00 C ATOM 3 C MET A 1 9.111 -17.032 -2.214 1.00 0.00 C ATOM 4 O MET A 1 8.029 -17.181 -2.782 1.00 0.00 O ATOM 5 CB MET A 1 8.862 -18.446 -0.154 1.00 0.00 C ATOM 6 CG MET A 1 8.540 -19.917 0.049 1.00 0.00 C ATOM 7 SD MET A 1 6.944 -20.382 -0.651 1.00 0.00 S ATOM 8 CE MET A 1 7.209 -22.123 -0.974 1.00 0.00 C ATOM 0 H1 MET A 1 11.498 -18.662 -0.435 1.00 0.00 H new ATOM 0 H2 MET A 1 11.692 -17.635 -1.773 1.00 0.00 H new ATOM 0 H3 MET A 1 11.077 -17.021 -0.314 1.00 0.00 H new ATOM 0 HA MET A 1 9.751 -19.049 -2.036 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.382 -18.072 0.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.930 -17.887 -0.236 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.323 -20.523 -0.407 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.544 -20.142 1.116 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.307 -22.554 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.040 -22.242 -1.669 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.441 -22.635 -0.040 1.00 0.00 H new ATOM 20 N GLN A 2 9.805 -15.898 -2.271 1.00 0.00 N ATOM 21 CA GLN A 2 9.319 -14.747 -3.024 1.00 0.00 C ATOM 22 C GLN A 2 10.479 -13.910 -3.555 1.00 0.00 C ATOM 23 O GLN A 2 11.611 -14.034 -3.091 1.00 0.00 O ATOM 24 CB GLN A 2 8.419 -13.881 -2.141 1.00 0.00 C ATOM 25 CG GLN A 2 6.949 -14.248 -2.228 1.00 0.00 C ATOM 26 CD GLN A 2 6.255 -13.591 -3.406 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.860 -12.810 -4.140 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.979 -13.909 -3.594 1.00 0.00 N ATOM 0 H GLN A 2 10.702 -15.753 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 2 8.744 -15.118 -3.873 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.746 -13.970 -1.105 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.542 -12.836 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.852 -15.331 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.449 -13.953 -1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.517 -14.561 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN A 2 4.461 -13.501 -4.372 1.00 0.00 H new ATOM 37 N ARG A 3 10.184 -13.056 -4.529 1.00 0.00 N ATOM 38 CA ARG A 3 11.194 -12.194 -5.120 1.00 0.00 C ATOM 39 C ARG A 3 11.149 -10.796 -4.506 1.00 0.00 C ATOM 40 O ARG A 3 12.120 -10.043 -4.581 1.00 0.00 O ATOM 41 CB ARG A 3 11.009 -12.112 -6.639 1.00 0.00 C ATOM 42 CG ARG A 3 9.638 -11.606 -7.064 1.00 0.00 C ATOM 43 CD ARG A 3 9.117 -12.355 -8.282 1.00 0.00 C ATOM 44 NE ARG A 3 9.206 -11.548 -9.497 1.00 0.00 N ATOM 45 CZ ARG A 3 8.520 -11.804 -10.609 1.00 0.00 C ATOM 46 NH1 ARG A 3 7.695 -12.842 -10.665 1.00 0.00 N ATOM 47 NH2 ARG A 3 8.658 -11.019 -11.667 1.00 0.00 N ATOM 0 H ARG A 3 9.251 -12.944 -4.925 1.00 0.00 H new ATOM 0 HA ARG A 3 12.171 -12.628 -4.909 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.773 -11.455 -7.054 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.171 -13.100 -7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.936 -11.720 -6.238 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.696 -10.541 -7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.687 -13.274 -8.414 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.080 -12.645 -8.114 1.00 0.00 H new ATOM 0 HE ARG A 3 9.830 -10.741 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.584 -13.449 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.172 -13.033 -11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.290 -10.219 -11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.133 -11.215 -12.519 1.00 0.00 H new ATOM 61 N GLY A 4 10.016 -10.457 -3.896 1.00 0.00 N ATOM 62 CA GLY A 4 9.867 -9.153 -3.274 1.00 0.00 C ATOM 63 C GLY A 4 9.290 -8.120 -4.222 1.00 0.00 C ATOM 64 O GLY A 4 10.005 -7.578 -5.065 1.00 0.00 O ATOM 0 H GLY A 4 9.199 -11.062 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.220 -9.242 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.838 -8.811 -2.917 1.00 0.00 H new ATOM 68 N ILE A 5 7.995 -7.846 -4.087 1.00 0.00 N ATOM 69 CA ILE A 5 7.331 -6.872 -4.944 1.00 0.00 C ATOM 70 C ILE A 5 6.493 -5.890 -4.133 1.00 0.00 C ATOM 71 O ILE A 5 5.483 -6.264 -3.539 1.00 0.00 O ATOM 72 CB ILE A 5 6.418 -7.562 -5.971 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.150 -8.729 -6.638 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.938 -6.561 -7.014 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.648 -10.088 -6.202 1.00 0.00 C ATOM 0 H ILE A 5 7.388 -8.284 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 5 8.121 -6.329 -5.463 1.00 0.00 H new ATOM 0 HB ILE A 5 5.546 -7.958 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.045 -8.642 -7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.214 -8.655 -6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.293 -7.066 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.380 -5.764 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.797 -6.136 -7.533 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.213 -10.866 -6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.778 -10.196 -5.125 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.591 -10.183 -6.451 1.00 0.00 H new ATOM 87 N VAL A 6 6.912 -4.628 -4.123 1.00 0.00 N ATOM 88 CA VAL A 6 6.193 -3.588 -3.398 1.00 0.00 C ATOM 89 C VAL A 6 5.463 -2.658 -4.363 1.00 0.00 C ATOM 90 O VAL A 6 6.057 -2.150 -5.310 1.00 0.00 O ATOM 91 CB VAL A 6 7.149 -2.736 -2.538 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.092 -1.953 -3.425 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.369 -1.786 -1.642 1.00 0.00 C ATOM 0 H VAL A 6 7.747 -4.302 -4.610 1.00 0.00 H new ATOM 0 HA VAL A 6 5.476 -4.094 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 6 7.729 -3.408 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.762 -1.356 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.678 -2.643 -4.032 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.517 -1.295 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.064 -1.196 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.763 -1.121 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.720 -2.360 -0.981 1.00 0.00 H new ATOM 103 N TRP A 7 4.184 -2.418 -4.112 1.00 0.00 N ATOM 104 CA TRP A 7 3.405 -1.522 -4.959 1.00 0.00 C ATOM 105 C TRP A 7 2.896 -0.352 -4.125 1.00 0.00 C ATOM 106 O TRP A 7 2.457 -0.536 -2.990 1.00 0.00 O ATOM 107 CB TRP A 7 2.259 -2.278 -5.633 1.00 0.00 C ATOM 108 CG TRP A 7 2.694 -3.016 -6.867 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.978 -3.282 -7.253 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.853 -3.582 -7.878 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.986 -3.961 -8.444 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.694 -4.163 -8.848 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.471 -3.654 -8.060 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.199 -4.801 -9.980 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.021 -4.291 -9.184 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.842 -4.856 -10.131 1.00 0.00 C ATOM 0 H TRP A 7 3.665 -2.827 -3.335 1.00 0.00 H new ATOM 0 HA TRP A 7 4.039 -1.128 -5.753 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.830 -2.986 -4.924 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.470 -1.573 -5.896 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.860 -2.998 -6.699 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.819 -4.266 -8.947 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.202 -3.220 -7.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.862 -5.237 -10.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.089 -4.354 -9.334 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.426 -5.346 -10.999 1.00 0.00 H new ATOM 127 N VAL A 8 3.012 0.859 -4.666 1.00 0.00 N ATOM 128 CA VAL A 8 2.616 2.055 -3.925 1.00 0.00 C ATOM 129 C VAL A 8 1.677 2.968 -4.713 1.00 0.00 C ATOM 130 O VAL A 8 1.895 3.239 -5.890 1.00 0.00 O ATOM 131 CB VAL A 8 3.859 2.885 -3.516 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.610 3.612 -2.203 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.120 2.016 -3.427 1.00 0.00 C ATOM 0 H VAL A 8 3.372 1.038 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 8 2.084 1.690 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 8 4.030 3.626 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.495 4.189 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.759 4.284 -2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.398 2.885 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.969 2.635 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.971 1.234 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.317 1.560 -4.397 1.00 0.00 H new ATOM 143 N VAL A 9 0.645 3.468 -4.036 1.00 0.00 N ATOM 144 CA VAL A 9 -0.309 4.387 -4.657 1.00 0.00 C ATOM 145 C VAL A 9 -0.370 5.701 -3.881 1.00 0.00 C ATOM 146 O VAL A 9 -0.945 5.759 -2.794 1.00 0.00 O ATOM 147 CB VAL A 9 -1.739 3.799 -4.755 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.272 3.945 -6.172 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.774 2.343 -4.326 1.00 0.00 C ATOM 0 H VAL A 9 0.448 3.253 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 9 0.053 4.559 -5.671 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.378 4.361 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.278 3.528 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.302 5.000 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.619 3.411 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.793 1.964 -4.408 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.117 1.758 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.438 2.260 -3.292 1.00 0.00 H new ATOM 159 N ASP A 10 0.228 6.749 -4.454 1.00 0.00 N ATOM 160 CA ASP A 10 0.251 8.079 -3.838 1.00 0.00 C ATOM 161 C ASP A 10 1.200 9.002 -4.597 1.00 0.00 C ATOM 162 O ASP A 10 2.398 8.736 -4.693 1.00 0.00 O ATOM 163 CB ASP A 10 0.675 8.011 -2.368 1.00 0.00 C ATOM 164 CG ASP A 10 0.457 9.327 -1.639 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.092 10.319 -2.304 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.651 9.367 -0.402 1.00 0.00 O ATOM 0 H ASP A 10 0.707 6.701 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.763 8.477 -3.887 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.112 7.224 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.728 7.737 -2.309 1.00 0.00 H new ATOM 171 N ASP A 11 0.653 10.083 -5.140 1.00 0.00 N ATOM 172 CA ASP A 11 1.435 11.057 -5.898 1.00 0.00 C ATOM 173 C ASP A 11 1.876 10.491 -7.244 1.00 0.00 C ATOM 174 O ASP A 11 1.800 11.174 -8.265 1.00 0.00 O ATOM 175 CB ASP A 11 2.660 11.508 -5.105 1.00 0.00 C ATOM 176 CG ASP A 11 3.032 12.949 -5.391 1.00 0.00 C ATOM 177 OD1 ASP A 11 3.391 13.250 -6.549 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.965 13.776 -4.459 1.00 0.00 O ATOM 0 H ASP A 11 -0.339 10.310 -5.069 1.00 0.00 H new ATOM 0 HA ASP A 11 0.791 11.917 -6.078 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.464 11.391 -4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.504 10.862 -5.347 1.00 0.00 H new ATOM 183 N ASP A 12 2.342 9.242 -7.239 1.00 0.00 N ATOM 184 CA ASP A 12 2.799 8.579 -8.454 1.00 0.00 C ATOM 185 C ASP A 12 4.178 9.102 -8.879 1.00 0.00 C ATOM 186 O ASP A 12 5.181 8.782 -8.243 1.00 0.00 O ATOM 187 CB ASP A 12 1.764 8.739 -9.575 1.00 0.00 C ATOM 188 CG ASP A 12 2.108 7.923 -10.806 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.308 7.651 -11.023 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.177 7.553 -11.551 1.00 0.00 O ATOM 0 H ASP A 12 2.412 8.668 -6.399 1.00 0.00 H new ATOM 0 HA ASP A 12 2.905 7.514 -8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.784 8.437 -9.206 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.691 9.791 -9.850 1.00 0.00 H new ATOM 195 N SER A 13 4.223 9.901 -9.952 1.00 0.00 N ATOM 196 CA SER A 13 5.476 10.464 -10.473 1.00 0.00 C ATOM 197 C SER A 13 6.582 10.551 -9.419 1.00 0.00 C ATOM 198 O SER A 13 7.451 9.681 -9.341 1.00 0.00 O ATOM 199 CB SER A 13 5.213 11.851 -11.063 1.00 0.00 C ATOM 200 OG SER A 13 4.536 12.679 -10.132 1.00 0.00 O ATOM 0 H SER A 13 3.396 10.175 -10.482 1.00 0.00 H new ATOM 0 HA SER A 13 5.831 9.782 -11.246 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.158 12.314 -11.347 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.618 11.757 -11.971 1.00 0.00 H new ATOM 0 HG SER A 13 4.381 13.561 -10.531 1.00 0.00 H new ATOM 206 N SER A 14 6.553 11.616 -8.638 1.00 0.00 N ATOM 207 CA SER A 14 7.559 11.854 -7.604 1.00 0.00 C ATOM 208 C SER A 14 7.721 10.663 -6.663 1.00 0.00 C ATOM 209 O SER A 14 8.842 10.247 -6.373 1.00 0.00 O ATOM 210 CB SER A 14 7.197 13.100 -6.793 1.00 0.00 C ATOM 211 OG SER A 14 7.705 14.274 -7.407 1.00 0.00 O ATOM 0 H SER A 14 5.837 12.340 -8.697 1.00 0.00 H new ATOM 0 HA SER A 14 8.510 12.004 -8.115 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.114 13.175 -6.699 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.599 13.010 -5.784 1.00 0.00 H new ATOM 0 HG SER A 14 7.459 15.056 -6.871 1.00 0.00 H new ATOM 217 N ILE A 15 6.609 10.124 -6.175 1.00 0.00 N ATOM 218 CA ILE A 15 6.659 8.997 -5.252 1.00 0.00 C ATOM 219 C ILE A 15 7.247 7.748 -5.917 1.00 0.00 C ATOM 220 O ILE A 15 7.718 6.836 -5.238 1.00 0.00 O ATOM 221 CB ILE A 15 5.258 8.708 -4.644 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.887 9.821 -3.658 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.224 7.354 -3.944 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.724 9.826 -2.395 1.00 0.00 C ATOM 0 H ILE A 15 5.668 10.447 -6.401 1.00 0.00 H new ATOM 0 HA ILE A 15 7.326 9.272 -4.435 1.00 0.00 H new ATOM 0 HB ILE A 15 4.531 8.680 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.993 10.785 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.837 9.717 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.230 7.183 -3.530 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.458 6.568 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.959 7.342 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.402 10.642 -1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.600 8.878 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.774 9.962 -2.655 1.00 0.00 H new ATOM 236 N ARG A 16 7.226 7.715 -7.244 1.00 0.00 N ATOM 237 CA ARG A 16 7.764 6.579 -7.990 1.00 0.00 C ATOM 238 C ARG A 16 9.290 6.524 -7.908 1.00 0.00 C ATOM 239 O ARG A 16 9.860 5.544 -7.426 1.00 0.00 O ATOM 240 CB ARG A 16 7.334 6.656 -9.457 1.00 0.00 C ATOM 241 CG ARG A 16 7.457 5.332 -10.196 1.00 0.00 C ATOM 242 CD ARG A 16 7.938 5.532 -11.625 1.00 0.00 C ATOM 243 NE ARG A 16 9.395 5.619 -11.704 1.00 0.00 N ATOM 244 CZ ARG A 16 10.080 5.622 -12.845 1.00 0.00 C ATOM 245 NH1 ARG A 16 9.445 5.534 -14.009 1.00 0.00 N ATOM 246 NH2 ARG A 16 11.404 5.706 -12.825 1.00 0.00 N ATOM 0 H ARG A 16 6.843 8.460 -7.827 1.00 0.00 H new ATOM 0 HA ARG A 16 7.364 5.671 -7.538 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.300 6.996 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.941 7.405 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.152 4.681 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.491 4.828 -10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.590 4.705 -12.244 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.498 6.442 -12.032 1.00 0.00 H new ATOM 0 HE ARG A 16 9.919 5.681 -10.831 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.428 5.464 -14.031 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.975 5.537 -14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.898 5.768 -11.935 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.928 5.708 -13.700 1.00 0.00 H new ATOM 260 N TRP A 17 9.941 7.572 -8.401 1.00 0.00 N ATOM 261 CA TRP A 17 11.402 7.652 -8.417 1.00 0.00 C ATOM 262 C TRP A 17 12.028 7.386 -7.046 1.00 0.00 C ATOM 263 O TRP A 17 13.036 6.678 -6.941 1.00 0.00 O ATOM 264 CB TRP A 17 11.841 9.029 -8.915 1.00 0.00 C ATOM 265 CG TRP A 17 13.317 9.130 -9.137 1.00 0.00 C ATOM 266 CD1 TRP A 17 14.041 8.549 -10.139 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.253 9.855 -8.334 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.372 8.862 -10.002 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.527 9.665 -8.902 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.135 10.645 -7.190 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.675 10.235 -8.360 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.274 11.213 -6.653 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.530 11.004 -7.237 1.00 0.00 C ATOM 0 H TRP A 17 9.476 8.388 -8.800 1.00 0.00 H new ATOM 0 HA TRP A 17 11.753 6.871 -9.092 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.323 9.253 -9.848 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.536 9.785 -8.191 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.628 7.933 -10.924 1.00 0.00 H new ATOM 0 HE1 TRP A 17 16.122 8.548 -10.618 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.171 10.809 -6.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.644 10.076 -8.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.195 11.828 -5.769 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.402 11.459 -6.792 1.00 0.00 H new ATOM 284 N VAL A 18 11.457 7.978 -6.003 1.00 0.00 N ATOM 285 CA VAL A 18 11.996 7.827 -4.651 1.00 0.00 C ATOM 286 C VAL A 18 11.931 6.389 -4.149 1.00 0.00 C ATOM 287 O VAL A 18 12.913 5.860 -3.627 1.00 0.00 O ATOM 288 CB VAL A 18 11.292 8.751 -3.621 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.252 9.136 -2.505 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.734 10.004 -4.278 1.00 0.00 C ATOM 0 H VAL A 18 10.625 8.565 -6.064 1.00 0.00 H new ATOM 0 HA VAL A 18 13.042 8.123 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 18 10.457 8.191 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.741 9.784 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.597 8.236 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.107 9.664 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.249 10.625 -3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.546 10.564 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.006 9.722 -5.039 1.00 0.00 H new ATOM 300 N LEU A 19 10.769 5.775 -4.267 1.00 0.00 N ATOM 301 CA LEU A 19 10.577 4.413 -3.777 1.00 0.00 C ATOM 302 C LEU A 19 11.024 3.341 -4.765 1.00 0.00 C ATOM 303 O LEU A 19 11.306 2.214 -4.361 1.00 0.00 O ATOM 304 CB LEU A 19 9.120 4.197 -3.363 1.00 0.00 C ATOM 305 CG LEU A 19 8.711 4.922 -2.082 1.00 0.00 C ATOM 306 CD1 LEU A 19 7.198 5.031 -1.993 1.00 0.00 C ATOM 307 CD2 LEU A 19 9.268 4.200 -0.864 1.00 0.00 C ATOM 0 H LEU A 19 9.943 6.192 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 19 11.222 4.305 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.472 4.527 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.947 3.129 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 19 9.127 5.929 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.924 5.550 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.822 5.589 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.761 4.033 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.968 4.728 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.880 3.182 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.356 4.172 -0.924 1.00 0.00 H new ATOM 319 N GLU A 20 11.096 3.671 -6.046 1.00 0.00 N ATOM 320 CA GLU A 20 11.518 2.693 -7.035 1.00 0.00 C ATOM 321 C GLU A 20 12.982 2.295 -6.841 1.00 0.00 C ATOM 322 O GLU A 20 13.288 1.122 -6.634 1.00 0.00 O ATOM 323 CB GLU A 20 11.268 3.208 -8.450 1.00 0.00 C ATOM 324 CG GLU A 20 11.943 4.525 -8.785 1.00 0.00 C ATOM 325 CD GLU A 20 13.137 4.355 -9.704 1.00 0.00 C ATOM 326 OE1 GLU A 20 13.469 3.200 -10.043 1.00 0.00 O ATOM 327 OE2 GLU A 20 13.743 5.380 -10.086 1.00 0.00 O ATOM 0 H GLU A 20 10.872 4.593 -6.420 1.00 0.00 H new ATOM 0 HA GLU A 20 10.916 1.796 -6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.607 2.453 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.194 3.321 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.219 5.190 -9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.266 5.008 -7.863 1.00 0.00 H new ATOM 334 N ARG A 21 13.885 3.269 -6.909 1.00 0.00 N ATOM 335 CA ARG A 21 15.314 2.998 -6.743 1.00 0.00 C ATOM 336 C ARG A 21 15.636 2.492 -5.338 1.00 0.00 C ATOM 337 O ARG A 21 16.116 1.371 -5.169 1.00 0.00 O ATOM 338 CB ARG A 21 16.141 4.253 -7.041 1.00 0.00 C ATOM 339 CG ARG A 21 16.194 4.605 -8.517 1.00 0.00 C ATOM 340 CD ARG A 21 17.469 4.100 -9.176 1.00 0.00 C ATOM 341 NE ARG A 21 17.190 3.401 -10.429 1.00 0.00 N ATOM 342 CZ ARG A 21 18.023 3.366 -11.469 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.204 3.971 -11.410 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.673 2.714 -12.570 1.00 0.00 N ATOM 0 H ARG A 21 13.657 4.249 -7.077 1.00 0.00 H new ATOM 0 HA ARG A 21 15.576 2.215 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.722 5.095 -6.489 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.157 4.105 -6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.329 4.176 -9.024 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.128 5.687 -8.635 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.136 4.940 -9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.990 3.429 -8.493 1.00 0.00 H new ATOM 0 HE ARG A 21 16.301 2.908 -10.513 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.481 4.468 -10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.834 3.938 -12.211 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.770 2.242 -12.618 1.00 0.00 H new ATOM 0 HH22 ARG A 21 18.307 2.684 -13.368 1.00 0.00 H new ATOM 358 N ALA A 22 15.387 3.329 -4.334 1.00 0.00 N ATOM 359 CA ALA A 22 15.667 2.972 -2.944 1.00 0.00 C ATOM 360 C ALA A 22 15.196 1.566 -2.613 1.00 0.00 C ATOM 361 O ALA A 22 15.966 0.738 -2.125 1.00 0.00 O ATOM 362 CB ALA A 22 15.026 3.981 -2.001 1.00 0.00 C ATOM 0 H ALA A 22 14.991 4.261 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 22 16.749 2.994 -2.811 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.242 3.703 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.429 4.974 -2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.947 3.989 -2.156 1.00 0.00 H new ATOM 368 N LEU A 23 13.932 1.306 -2.880 1.00 0.00 N ATOM 369 CA LEU A 23 13.351 -0.003 -2.610 1.00 0.00 C ATOM 370 C LEU A 23 14.035 -1.079 -3.444 1.00 0.00 C ATOM 371 O LEU A 23 14.132 -2.240 -3.034 1.00 0.00 O ATOM 372 CB LEU A 23 11.848 0.016 -2.888 1.00 0.00 C ATOM 373 CG LEU A 23 11.035 -1.118 -2.254 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.970 -2.320 -3.182 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.604 -1.529 -0.904 1.00 0.00 C ATOM 0 H LEU A 23 13.283 1.981 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 23 13.507 -0.238 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.445 0.966 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.697 -0.015 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 23 10.025 -0.742 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.388 -3.112 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.496 -2.030 -4.120 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.979 -2.681 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.001 -2.335 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.631 -1.872 -1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.588 -0.675 -0.227 1.00 0.00 H new ATOM 387 N ALA A 24 14.528 -0.682 -4.609 1.00 0.00 N ATOM 388 CA ALA A 24 15.226 -1.608 -5.480 1.00 0.00 C ATOM 389 C ALA A 24 16.523 -2.045 -4.821 1.00 0.00 C ATOM 390 O ALA A 24 16.954 -3.187 -4.968 1.00 0.00 O ATOM 391 CB ALA A 24 15.501 -0.973 -6.835 1.00 0.00 C ATOM 0 H ALA A 24 14.457 0.270 -4.968 1.00 0.00 H new ATOM 0 HA ALA A 24 14.596 -2.482 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 24 16.025 -1.686 -7.471 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.558 -0.693 -7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.117 -0.084 -6.702 1.00 0.00 H new ATOM 397 N GLY A 25 17.131 -1.128 -4.071 1.00 0.00 N ATOM 398 CA GLY A 25 18.359 -1.448 -3.378 1.00 0.00 C ATOM 399 C GLY A 25 18.139 -2.518 -2.330 1.00 0.00 C ATOM 400 O GLY A 25 19.061 -3.252 -1.972 1.00 0.00 O ATOM 0 H GLY A 25 16.794 -0.175 -3.934 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.106 -1.788 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.757 -0.550 -2.905 1.00 0.00 H new ATOM 404 N ALA A 26 16.902 -2.613 -1.842 1.00 0.00 N ATOM 405 CA ALA A 26 16.545 -3.602 -0.839 1.00 0.00 C ATOM 406 C ALA A 26 16.385 -4.987 -1.466 1.00 0.00 C ATOM 407 O ALA A 26 16.369 -5.996 -0.763 1.00 0.00 O ATOM 408 CB ALA A 26 15.270 -3.191 -0.117 1.00 0.00 C ATOM 0 H ALA A 26 16.131 -2.011 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 26 17.355 -3.654 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.017 -3.943 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.423 -2.229 0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.456 -3.106 -0.836 1.00 0.00 H new ATOM 414 N GLY A 27 16.279 -5.026 -2.795 1.00 0.00 N ATOM 415 CA GLY A 27 16.140 -6.293 -3.489 1.00 0.00 C ATOM 416 C GLY A 27 14.711 -6.610 -3.898 1.00 0.00 C ATOM 417 O GLY A 27 14.369 -7.778 -4.087 1.00 0.00 O ATOM 0 H GLY A 27 16.287 -4.204 -3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.769 -6.281 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.511 -7.092 -2.847 1.00 0.00 H new ATOM 421 N LEU A 28 13.868 -5.586 -4.037 1.00 0.00 N ATOM 422 CA LEU A 28 12.481 -5.803 -4.428 1.00 0.00 C ATOM 423 C LEU A 28 12.047 -4.839 -5.532 1.00 0.00 C ATOM 424 O LEU A 28 12.803 -3.949 -5.925 1.00 0.00 O ATOM 425 CB LEU A 28 11.562 -5.676 -3.214 1.00 0.00 C ATOM 426 CG LEU A 28 12.248 -5.906 -1.869 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.797 -4.602 -1.323 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.285 -6.537 -0.879 1.00 0.00 C ATOM 0 H LEU A 28 14.121 -4.609 -3.886 1.00 0.00 H new ATOM 0 HA LEU A 28 12.403 -6.814 -4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.117 -4.681 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.745 -6.390 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 28 13.081 -6.593 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.282 -4.785 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.523 -4.191 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.981 -3.892 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.792 -6.693 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.431 -5.876 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.940 -7.495 -1.267 1.00 0.00 H new ATOM 440 N THR A 29 10.830 -5.033 -6.033 1.00 0.00 N ATOM 441 CA THR A 29 10.290 -4.195 -7.101 1.00 0.00 C ATOM 442 C THR A 29 9.289 -3.177 -6.555 1.00 0.00 C ATOM 443 O THR A 29 8.245 -3.548 -6.020 1.00 0.00 O ATOM 444 CB THR A 29 9.619 -5.075 -8.161 1.00 0.00 C ATOM 445 OG1 THR A 29 10.587 -5.799 -8.899 1.00 0.00 O ATOM 446 CG2 THR A 29 8.777 -4.297 -9.152 1.00 0.00 C ATOM 0 H THR A 29 10.196 -5.766 -5.715 1.00 0.00 H new ATOM 0 HA THR A 29 11.115 -3.645 -7.553 1.00 0.00 H new ATOM 0 HB THR A 29 8.964 -5.743 -7.601 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.138 -6.356 -9.569 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.334 -4.985 -9.872 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.986 -3.768 -8.621 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.405 -3.578 -9.677 1.00 0.00 H new ATOM 454 N CYS A 30 9.610 -1.894 -6.702 1.00 0.00 N ATOM 455 CA CYS A 30 8.731 -0.832 -6.227 1.00 0.00 C ATOM 456 C CYS A 30 8.172 -0.017 -7.376 1.00 0.00 C ATOM 457 O CYS A 30 8.894 0.705 -8.064 1.00 0.00 O ATOM 458 CB CYS A 30 9.452 0.086 -5.244 1.00 0.00 C ATOM 459 SG CYS A 30 8.335 1.103 -4.255 1.00 0.00 S ATOM 0 H CYS A 30 10.469 -1.567 -7.144 1.00 0.00 H new ATOM 0 HA CYS A 30 7.901 -1.315 -5.711 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.066 -0.520 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.129 0.737 -5.797 1.00 0.00 H new ATOM 0 HG CYS A 30 8.750 1.132 -3.023 1.00 0.00 H new ATOM 465 N THR A 31 6.868 -0.131 -7.557 1.00 0.00 N ATOM 466 CA THR A 31 6.164 0.596 -8.592 1.00 0.00 C ATOM 467 C THR A 31 5.134 1.502 -7.928 1.00 0.00 C ATOM 468 O THR A 31 4.724 1.243 -6.796 1.00 0.00 O ATOM 469 CB THR A 31 5.494 -0.375 -9.569 1.00 0.00 C ATOM 470 OG1 THR A 31 5.221 0.266 -10.799 1.00 0.00 O ATOM 471 CG2 THR A 31 4.190 -0.941 -9.061 1.00 0.00 C ATOM 0 H THR A 31 6.270 -0.731 -6.989 1.00 0.00 H new ATOM 0 HA THR A 31 6.865 1.202 -9.166 1.00 0.00 H new ATOM 0 HB THR A 31 6.205 -1.193 -9.689 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.795 -0.369 -11.411 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.773 -1.620 -9.805 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.366 -1.484 -8.133 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.487 -0.128 -8.878 1.00 0.00 H new ATOM 479 N THR A 32 4.727 2.565 -8.603 1.00 0.00 N ATOM 480 CA THR A 32 3.758 3.478 -8.016 1.00 0.00 C ATOM 481 C THR A 32 2.664 3.869 -8.997 1.00 0.00 C ATOM 482 O THR A 32 2.864 3.877 -10.212 1.00 0.00 O ATOM 483 CB THR A 32 4.457 4.723 -7.477 1.00 0.00 C ATOM 484 OG1 THR A 32 4.954 5.521 -8.535 1.00 0.00 O ATOM 485 CG2 THR A 32 5.612 4.400 -6.555 1.00 0.00 C ATOM 0 H THR A 32 5.045 2.815 -9.540 1.00 0.00 H new ATOM 0 HA THR A 32 3.279 2.950 -7.192 1.00 0.00 H new ATOM 0 HB THR A 32 3.698 5.261 -6.909 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.211 5.992 -8.966 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.068 5.326 -6.205 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.247 3.830 -5.701 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.354 3.811 -7.094 1.00 0.00 H new ATOM 493 N PHE A 33 1.501 4.184 -8.444 1.00 0.00 N ATOM 494 CA PHE A 33 0.340 4.573 -9.229 1.00 0.00 C ATOM 495 C PHE A 33 -0.269 5.873 -8.702 1.00 0.00 C ATOM 496 O PHE A 33 0.171 6.410 -7.685 1.00 0.00 O ATOM 497 CB PHE A 33 -0.724 3.484 -9.227 1.00 0.00 C ATOM 498 CG PHE A 33 -0.224 2.091 -9.510 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.717 1.479 -8.690 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.728 1.380 -10.586 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.144 0.191 -8.948 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.308 0.091 -10.845 1.00 0.00 C ATOM 503 CZ PHE A 33 0.630 -0.506 -10.026 1.00 0.00 C ATOM 0 H PHE A 33 1.337 4.177 -7.437 1.00 0.00 H new ATOM 0 HA PHE A 33 0.685 4.726 -10.252 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.218 3.484 -8.255 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.481 3.738 -9.969 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.118 2.016 -7.843 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.461 1.841 -11.232 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.880 -0.272 -8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.713 -0.450 -11.687 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.961 -1.514 -10.227 1.00 0.00 H new ATOM 513 N GLU A 34 -1.268 6.386 -9.418 1.00 0.00 N ATOM 514 CA GLU A 34 -1.926 7.633 -9.053 1.00 0.00 C ATOM 515 C GLU A 34 -2.539 7.579 -7.640 1.00 0.00 C ATOM 516 O GLU A 34 -1.812 7.654 -6.649 1.00 0.00 O ATOM 517 CB GLU A 34 -3.004 7.948 -10.099 1.00 0.00 C ATOM 518 CG GLU A 34 -3.913 6.765 -10.417 1.00 0.00 C ATOM 519 CD GLU A 34 -5.390 7.105 -10.362 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.748 8.263 -10.662 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.189 6.206 -10.013 1.00 0.00 O ATOM 0 H GLU A 34 -1.640 5.950 -10.262 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.177 8.425 -9.035 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.614 8.778 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.521 8.281 -11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.672 6.389 -11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.707 5.959 -9.712 1.00 0.00 H new ATOM 528 N ASN A 35 -3.866 7.484 -7.542 1.00 0.00 N ATOM 529 CA ASN A 35 -4.541 7.462 -6.253 1.00 0.00 C ATOM 530 C ASN A 35 -4.623 6.063 -5.668 1.00 0.00 C ATOM 531 O ASN A 35 -3.948 5.747 -4.689 1.00 0.00 O ATOM 532 CB ASN A 35 -5.944 8.057 -6.383 1.00 0.00 C ATOM 533 CG ASN A 35 -6.221 9.111 -5.328 1.00 0.00 C ATOM 534 OD1 ASN A 35 -7.011 8.895 -4.411 1.00 0.00 O ATOM 535 ND2 ASN A 35 -5.569 10.260 -5.453 1.00 0.00 N ATOM 0 H ASN A 35 -4.492 7.421 -8.345 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.947 8.067 -5.568 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.059 8.498 -7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.683 7.260 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.715 11.006 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.922 10.397 -6.230 1.00 0.00 H new ATOM 542 N GLY A 36 -5.464 5.236 -6.261 1.00 0.00 N ATOM 543 CA GLY A 36 -5.632 3.882 -5.774 1.00 0.00 C ATOM 544 C GLY A 36 -6.256 2.950 -6.791 1.00 0.00 C ATOM 545 O GLY A 36 -5.863 1.788 -6.893 1.00 0.00 O ATOM 0 H GLY A 36 -6.035 5.475 -7.072 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.660 3.487 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.254 3.900 -4.879 1.00 0.00 H new ATOM 549 N ASN A 37 -7.233 3.447 -7.542 1.00 0.00 N ATOM 550 CA ASN A 37 -7.906 2.629 -8.542 1.00 0.00 C ATOM 551 C ASN A 37 -6.913 2.116 -9.573 1.00 0.00 C ATOM 552 O ASN A 37 -7.071 1.018 -10.107 1.00 0.00 O ATOM 553 CB ASN A 37 -9.037 3.409 -9.211 1.00 0.00 C ATOM 554 CG ASN A 37 -10.403 2.845 -8.859 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.244 2.636 -9.732 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.626 2.587 -7.572 1.00 0.00 N ATOM 0 H ASN A 37 -7.574 4.406 -7.478 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.345 1.768 -8.039 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.987 4.454 -8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.903 3.386 -10.292 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.523 2.201 -7.277 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.900 2.776 -6.881 1.00 0.00 H new ATOM 563 N GLU A 38 -5.878 2.907 -9.835 1.00 0.00 N ATOM 564 CA GLU A 38 -4.849 2.515 -10.787 1.00 0.00 C ATOM 565 C GLU A 38 -4.314 1.128 -10.458 1.00 0.00 C ATOM 566 O GLU A 38 -4.364 0.224 -11.291 1.00 0.00 O ATOM 567 CB GLU A 38 -3.701 3.514 -10.765 1.00 0.00 C ATOM 568 CG GLU A 38 -3.367 4.099 -12.125 1.00 0.00 C ATOM 569 CD GLU A 38 -2.596 3.132 -13.000 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.237 2.291 -13.663 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.350 3.215 -13.020 1.00 0.00 O ATOM 0 H GLU A 38 -5.731 3.819 -9.403 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.297 2.498 -11.781 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.953 4.326 -10.083 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.814 3.024 -10.364 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.290 4.385 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.782 5.009 -11.992 1.00 0.00 H new ATOM 578 N VAL A 39 -3.803 0.955 -9.237 1.00 0.00 N ATOM 579 CA VAL A 39 -3.270 -0.342 -8.835 1.00 0.00 C ATOM 580 C VAL A 39 -4.321 -1.430 -8.979 1.00 0.00 C ATOM 581 O VAL A 39 -4.053 -2.493 -9.532 1.00 0.00 O ATOM 582 CB VAL A 39 -2.768 -0.356 -7.384 1.00 0.00 C ATOM 583 CG1 VAL A 39 -1.836 -1.528 -7.166 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.063 0.931 -7.038 1.00 0.00 C ATOM 0 H VAL A 39 -3.748 1.683 -8.524 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.427 -0.531 -9.499 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.634 -0.457 -6.730 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.486 -1.528 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.367 -2.458 -7.369 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.982 -1.444 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.719 0.891 -6.004 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.208 1.067 -7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.752 1.767 -7.159 1.00 0.00 H new ATOM 594 N LEU A 40 -5.519 -1.158 -8.468 1.00 0.00 N ATOM 595 CA LEU A 40 -6.616 -2.118 -8.532 1.00 0.00 C ATOM 596 C LEU A 40 -6.733 -2.717 -9.930 1.00 0.00 C ATOM 597 O LEU A 40 -6.924 -3.922 -10.086 1.00 0.00 O ATOM 598 CB LEU A 40 -7.932 -1.444 -8.138 1.00 0.00 C ATOM 599 CG LEU A 40 -7.907 -0.693 -6.803 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.294 -0.177 -6.454 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.379 -1.590 -5.692 1.00 0.00 C ATOM 0 H LEU A 40 -5.754 -0.280 -8.005 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.405 -2.924 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.213 -0.744 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.712 -2.204 -8.094 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.236 0.160 -6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.256 0.354 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.637 0.502 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.985 -1.016 -6.374 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.369 -1.038 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.023 -2.464 -5.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.366 -1.912 -5.934 1.00 0.00 H new ATOM 613 N ALA A 41 -6.606 -1.865 -10.944 1.00 0.00 N ATOM 614 CA ALA A 41 -6.687 -2.311 -12.329 1.00 0.00 C ATOM 615 C ALA A 41 -5.540 -3.253 -12.661 1.00 0.00 C ATOM 616 O ALA A 41 -5.745 -4.341 -13.197 1.00 0.00 O ATOM 617 CB ALA A 41 -6.687 -1.117 -13.272 1.00 0.00 C ATOM 0 H ALA A 41 -6.447 -0.864 -10.831 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.622 -2.856 -12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.748 -1.467 -14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.545 -0.481 -13.054 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.768 -0.546 -13.136 1.00 0.00 H new ATOM 623 N ALA A 42 -4.335 -2.822 -12.330 1.00 0.00 N ATOM 624 CA ALA A 42 -3.137 -3.613 -12.581 1.00 0.00 C ATOM 625 C ALA A 42 -3.103 -4.855 -11.695 1.00 0.00 C ATOM 626 O ALA A 42 -2.526 -5.879 -12.063 1.00 0.00 O ATOM 627 CB ALA A 42 -1.889 -2.766 -12.361 1.00 0.00 C ATOM 0 H ALA A 42 -4.157 -1.922 -11.883 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.159 -3.942 -13.620 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.002 -3.369 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.902 -1.915 -13.042 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.869 -2.407 -11.332 1.00 0.00 H new ATOM 633 N LEU A 43 -3.723 -4.755 -10.524 1.00 0.00 N ATOM 634 CA LEU A 43 -3.764 -5.862 -9.576 1.00 0.00 C ATOM 635 C LEU A 43 -4.668 -6.983 -10.068 1.00 0.00 C ATOM 636 O LEU A 43 -4.544 -8.128 -9.636 1.00 0.00 O ATOM 637 CB LEU A 43 -4.242 -5.369 -8.214 1.00 0.00 C ATOM 638 CG LEU A 43 -3.167 -4.691 -7.377 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.774 -3.638 -6.478 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.421 -5.719 -6.553 1.00 0.00 C ATOM 0 H LEU A 43 -4.206 -3.914 -10.208 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.753 -6.260 -9.483 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.064 -4.669 -8.363 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.641 -6.215 -7.655 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.463 -4.202 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.988 -3.166 -5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.274 -2.884 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.499 -4.104 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.654 -5.222 -5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.119 -6.231 -5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.951 -6.446 -7.216 1.00 0.00 H new ATOM 652 N ALA A 44 -5.573 -6.650 -10.978 1.00 0.00 N ATOM 653 CA ALA A 44 -6.489 -7.634 -11.532 1.00 0.00 C ATOM 654 C ALA A 44 -5.729 -8.785 -12.184 1.00 0.00 C ATOM 655 O ALA A 44 -6.290 -9.857 -12.420 1.00 0.00 O ATOM 656 CB ALA A 44 -7.421 -6.978 -12.538 1.00 0.00 C ATOM 0 H ALA A 44 -5.692 -5.707 -11.347 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.083 -8.042 -10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.101 -7.726 -12.945 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.996 -6.195 -12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.835 -6.542 -13.347 1.00 0.00 H new ATOM 662 N SER A 45 -4.454 -8.557 -12.484 1.00 0.00 N ATOM 663 CA SER A 45 -3.629 -9.568 -13.116 1.00 0.00 C ATOM 664 C SER A 45 -2.338 -9.829 -12.338 1.00 0.00 C ATOM 665 O SER A 45 -1.453 -10.528 -12.828 1.00 0.00 O ATOM 666 CB SER A 45 -3.294 -9.153 -14.548 1.00 0.00 C ATOM 667 OG SER A 45 -4.258 -9.647 -15.461 1.00 0.00 O ATOM 0 H SER A 45 -3.973 -7.677 -12.297 1.00 0.00 H new ATOM 0 HA SER A 45 -4.203 -10.495 -13.125 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.250 -8.066 -14.614 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.307 -9.529 -14.817 1.00 0.00 H new ATOM 0 HG SER A 45 -4.022 -9.366 -16.370 1.00 0.00 H new ATOM 673 N LYS A 46 -2.222 -9.275 -11.131 1.00 0.00 N ATOM 674 CA LYS A 46 -1.021 -9.482 -10.333 1.00 0.00 C ATOM 675 C LYS A 46 -1.270 -9.248 -8.850 1.00 0.00 C ATOM 676 O LYS A 46 -2.255 -8.625 -8.455 1.00 0.00 O ATOM 677 CB LYS A 46 0.116 -8.581 -10.845 1.00 0.00 C ATOM 678 CG LYS A 46 1.034 -8.004 -9.770 1.00 0.00 C ATOM 679 CD LYS A 46 2.487 -8.153 -10.159 1.00 0.00 C ATOM 680 CE LYS A 46 3.414 -7.827 -9.002 1.00 0.00 C ATOM 681 NZ LYS A 46 4.459 -8.871 -8.825 1.00 0.00 N ATOM 0 H LYS A 46 -2.933 -8.690 -10.693 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.726 -10.525 -10.444 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.722 -9.154 -11.546 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.323 -7.755 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.802 -6.950 -9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.854 -8.512 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.671 -9.173 -10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.708 -7.495 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.889 -6.862 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.833 -7.734 -8.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.741 -8.914 -7.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.081 -9.794 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.287 -8.635 -9.408 1.00 0.00 H new ATOM 695 N THR A 47 -0.338 -9.741 -8.041 1.00 0.00 N ATOM 696 CA THR A 47 -0.412 -9.583 -6.600 1.00 0.00 C ATOM 697 C THR A 47 0.963 -9.260 -6.007 1.00 0.00 C ATOM 698 O THR A 47 1.849 -10.113 -5.986 1.00 0.00 O ATOM 699 CB THR A 47 -0.965 -10.857 -5.953 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.272 -11.133 -6.424 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.024 -10.790 -4.440 1.00 0.00 C ATOM 0 H THR A 47 0.481 -10.256 -8.365 1.00 0.00 H new ATOM 0 HA THR A 47 -1.083 -8.750 -6.391 1.00 0.00 H new ATOM 0 HB THR A 47 -0.268 -11.646 -6.235 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.606 -11.951 -6.000 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.425 -11.725 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.021 -10.632 -4.043 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.668 -9.965 -4.137 1.00 0.00 H new ATOM 709 N PRO A 48 1.153 -8.029 -5.494 1.00 0.00 N ATOM 710 CA PRO A 48 2.418 -7.620 -4.882 1.00 0.00 C ATOM 711 C PRO A 48 2.595 -8.248 -3.507 1.00 0.00 C ATOM 712 O PRO A 48 1.644 -8.772 -2.933 1.00 0.00 O ATOM 713 CB PRO A 48 2.281 -6.101 -4.764 1.00 0.00 C ATOM 714 CG PRO A 48 0.815 -5.861 -4.659 1.00 0.00 C ATOM 715 CD PRO A 48 0.152 -6.946 -5.462 1.00 0.00 C ATOM 0 HA PRO A 48 3.285 -7.932 -5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.808 -5.723 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.704 -5.597 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.489 -5.892 -3.619 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.553 -4.876 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.777 -7.275 -4.997 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.098 -6.603 -6.466 1.00 0.00 H new ATOM 723 N ASP A 49 3.809 -8.199 -2.981 1.00 0.00 N ATOM 724 CA ASP A 49 4.083 -8.770 -1.670 1.00 0.00 C ATOM 725 C ASP A 49 3.693 -7.796 -0.562 1.00 0.00 C ATOM 726 O ASP A 49 3.356 -8.205 0.548 1.00 0.00 O ATOM 727 CB ASP A 49 5.561 -9.139 -1.544 1.00 0.00 C ATOM 728 CG ASP A 49 5.991 -10.170 -2.568 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.157 -10.541 -3.423 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.158 -10.608 -2.516 1.00 0.00 O ATOM 0 H ASP A 49 4.616 -7.773 -3.437 1.00 0.00 H new ATOM 0 HA ASP A 49 3.484 -9.674 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.168 -8.241 -1.661 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.752 -9.525 -0.543 1.00 0.00 H new ATOM 735 N VAL A 50 3.743 -6.502 -0.872 1.00 0.00 N ATOM 736 CA VAL A 50 3.398 -5.465 0.093 1.00 0.00 C ATOM 737 C VAL A 50 2.818 -4.244 -0.621 1.00 0.00 C ATOM 738 O VAL A 50 3.555 -3.428 -1.176 1.00 0.00 O ATOM 739 CB VAL A 50 4.636 -5.054 0.919 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.794 -4.706 0.002 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.322 -3.892 1.854 1.00 0.00 C ATOM 0 H VAL A 50 4.020 -6.148 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 50 2.646 -5.869 0.771 1.00 0.00 H new ATOM 0 HB VAL A 50 4.923 -5.905 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.658 -4.419 0.601 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.048 -5.572 -0.609 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.509 -3.877 -0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.216 -3.629 2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.997 -3.032 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.529 -4.183 2.543 1.00 0.00 H new ATOM 751 N LEU A 51 1.494 -4.141 -0.620 1.00 0.00 N ATOM 752 CA LEU A 51 0.804 -3.039 -1.288 1.00 0.00 C ATOM 753 C LEU A 51 0.654 -1.811 -0.387 1.00 0.00 C ATOM 754 O LEU A 51 0.388 -1.926 0.808 1.00 0.00 O ATOM 755 CB LEU A 51 -0.577 -3.503 -1.757 1.00 0.00 C ATOM 756 CG LEU A 51 -1.372 -2.477 -2.568 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.610 -2.101 -3.829 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.759 -3.016 -2.915 1.00 0.00 C ATOM 0 H LEU A 51 0.873 -4.809 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 51 1.414 -2.745 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.454 -4.402 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.164 -3.784 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.502 -1.582 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.185 -1.371 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.354 -1.671 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.452 -2.991 -4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.306 -2.270 -3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.658 -3.927 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.304 -3.236 -1.997 1.00 0.00 H new ATOM 770 N LEU A 52 0.803 -0.634 -0.993 1.00 0.00 N ATOM 771 CA LEU A 52 0.662 0.641 -0.288 1.00 0.00 C ATOM 772 C LEU A 52 -0.391 1.491 -1.000 1.00 0.00 C ATOM 773 O LEU A 52 -0.203 1.860 -2.156 1.00 0.00 O ATOM 774 CB LEU A 52 1.999 1.391 -0.259 1.00 0.00 C ATOM 775 CG LEU A 52 3.022 0.891 0.763 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.442 1.070 0.234 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.850 1.625 2.087 1.00 0.00 C ATOM 0 H LEU A 52 1.024 -0.536 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 52 0.353 0.449 0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.447 1.334 -1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.799 2.444 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 52 2.851 -0.172 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.155 0.709 0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.560 0.503 -0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.627 2.126 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.585 1.259 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.996 2.694 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.846 1.448 2.473 1.00 0.00 H new ATOM 789 N SER A 53 -1.511 1.770 -0.328 1.00 0.00 N ATOM 790 CA SER A 53 -2.596 2.544 -0.944 1.00 0.00 C ATOM 791 C SER A 53 -2.754 3.947 -0.358 1.00 0.00 C ATOM 792 O SER A 53 -2.625 4.154 0.846 1.00 0.00 O ATOM 793 CB SER A 53 -3.919 1.781 -0.812 1.00 0.00 C ATOM 794 OG SER A 53 -4.519 1.554 -2.079 1.00 0.00 O ATOM 0 H SER A 53 -1.691 1.476 0.632 1.00 0.00 H new ATOM 0 HA SER A 53 -2.328 2.670 -1.993 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.742 0.827 -0.316 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.604 2.346 -0.180 1.00 0.00 H new ATOM 0 HG SER A 53 -4.613 0.590 -2.228 1.00 0.00 H new ATOM 800 N ASP A 54 -3.057 4.910 -1.234 1.00 0.00 N ATOM 801 CA ASP A 54 -3.260 6.294 -0.817 1.00 0.00 C ATOM 802 C ASP A 54 -4.569 6.445 -0.047 1.00 0.00 C ATOM 803 O ASP A 54 -5.218 5.458 0.296 1.00 0.00 O ATOM 804 CB ASP A 54 -3.266 7.240 -2.025 1.00 0.00 C ATOM 805 CG ASP A 54 -2.694 8.604 -1.685 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.124 8.748 -0.580 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.817 9.526 -2.519 1.00 0.00 O ATOM 0 H ASP A 54 -3.166 4.753 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.430 6.561 -0.164 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.687 6.796 -2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.287 7.356 -2.389 1.00 0.00 H new ATOM 812 N ILE A 55 -4.939 7.690 0.235 1.00 0.00 N ATOM 813 CA ILE A 55 -6.148 7.984 0.977 1.00 0.00 C ATOM 814 C ILE A 55 -6.463 9.482 0.952 1.00 0.00 C ATOM 815 O ILE A 55 -6.170 10.201 1.907 1.00 0.00 O ATOM 816 CB ILE A 55 -5.986 7.497 2.429 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.099 8.015 3.349 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.629 7.906 2.971 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.374 7.106 4.529 1.00 0.00 C ATOM 0 H ILE A 55 -4.409 8.515 -0.045 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.981 7.462 0.507 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.061 6.410 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.825 9.004 3.717 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.014 8.133 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.527 7.556 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.844 7.464 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.540 8.992 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.171 7.532 5.138 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.678 6.123 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.471 7.008 5.131 1.00 0.00 H new ATOM 831 N ARG A 56 -7.053 9.950 -0.153 1.00 0.00 N ATOM 832 CA ARG A 56 -7.388 11.367 -0.294 1.00 0.00 C ATOM 833 C ARG A 56 -8.704 11.585 -1.049 1.00 0.00 C ATOM 834 O ARG A 56 -8.704 11.934 -2.230 1.00 0.00 O ATOM 835 CB ARG A 56 -6.259 12.105 -1.013 1.00 0.00 C ATOM 836 CG ARG A 56 -6.055 13.529 -0.523 1.00 0.00 C ATOM 837 CD ARG A 56 -5.763 14.479 -1.673 1.00 0.00 C ATOM 838 NE ARG A 56 -4.807 15.518 -1.299 1.00 0.00 N ATOM 839 CZ ARG A 56 -3.487 15.347 -1.292 1.00 0.00 C ATOM 840 NH1 ARG A 56 -2.958 14.176 -1.622 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.693 16.355 -0.951 1.00 0.00 N ATOM 0 H ARG A 56 -7.306 9.373 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.515 11.766 0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.331 11.548 -0.882 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.472 12.124 -2.082 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.946 13.863 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.231 13.555 0.190 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.371 13.914 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.692 14.944 -2.003 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.173 16.430 -1.027 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.564 13.398 -1.884 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.945 14.053 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.095 17.257 -0.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -1.681 16.227 -0.945 1.00 0.00 H new ATOM 855 N MET A 57 -9.821 11.403 -0.347 1.00 0.00 N ATOM 856 CA MET A 57 -11.154 11.603 -0.922 1.00 0.00 C ATOM 857 C MET A 57 -11.298 11.015 -2.333 1.00 0.00 C ATOM 858 O MET A 57 -11.788 11.686 -3.241 1.00 0.00 O ATOM 859 CB MET A 57 -11.485 13.098 -0.951 1.00 0.00 C ATOM 860 CG MET A 57 -10.597 13.897 -1.891 1.00 0.00 C ATOM 861 SD MET A 57 -11.335 15.469 -2.375 1.00 0.00 S ATOM 862 CE MET A 57 -10.054 16.611 -1.867 1.00 0.00 C ATOM 0 H MET A 57 -9.830 11.114 0.631 1.00 0.00 H new ATOM 0 HA MET A 57 -11.856 11.068 -0.283 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.525 13.226 -1.250 1.00 0.00 H new ATOM 0 HB3 MET A 57 -11.391 13.503 0.057 1.00 0.00 H new ATOM 0 HG2 MET A 57 -9.638 14.084 -1.408 1.00 0.00 H new ATOM 0 HG3 MET A 57 -10.394 13.305 -2.784 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.362 17.630 -2.100 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.889 16.518 -0.794 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.130 16.381 -2.398 1.00 0.00 H new ATOM 872 N PRO A 58 -10.906 9.746 -2.537 1.00 0.00 N ATOM 873 CA PRO A 58 -11.031 9.090 -3.835 1.00 0.00 C ATOM 874 C PRO A 58 -12.435 8.523 -4.048 1.00 0.00 C ATOM 875 O PRO A 58 -13.233 9.080 -4.800 1.00 0.00 O ATOM 876 CB PRO A 58 -9.997 7.968 -3.764 1.00 0.00 C ATOM 877 CG PRO A 58 -9.821 7.670 -2.307 1.00 0.00 C ATOM 878 CD PRO A 58 -10.339 8.849 -1.521 1.00 0.00 C ATOM 0 HA PRO A 58 -10.868 9.775 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.339 7.086 -4.305 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.055 8.275 -4.217 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.363 6.764 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.770 7.493 -2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.093 8.543 -0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.540 9.336 -0.963 1.00 0.00 H new ATOM 886 N GLY A 59 -12.732 7.422 -3.365 1.00 0.00 N ATOM 887 CA GLY A 59 -14.038 6.802 -3.467 1.00 0.00 C ATOM 888 C GLY A 59 -14.738 6.740 -2.121 1.00 0.00 C ATOM 889 O GLY A 59 -15.961 6.627 -2.050 1.00 0.00 O ATOM 0 H GLY A 59 -12.084 6.946 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.653 7.363 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -13.932 5.794 -3.869 1.00 0.00 H new ATOM 893 N MET A 60 -13.949 6.822 -1.051 1.00 0.00 N ATOM 894 CA MET A 60 -14.475 6.786 0.305 1.00 0.00 C ATOM 895 C MET A 60 -13.428 7.293 1.290 1.00 0.00 C ATOM 896 O MET A 60 -12.887 6.528 2.096 1.00 0.00 O ATOM 897 CB MET A 60 -14.915 5.368 0.681 1.00 0.00 C ATOM 898 CG MET A 60 -16.098 5.331 1.637 1.00 0.00 C ATOM 899 SD MET A 60 -16.917 3.724 1.666 1.00 0.00 S ATOM 900 CE MET A 60 -18.379 4.070 0.691 1.00 0.00 C ATOM 0 H MET A 60 -12.935 6.915 -1.103 1.00 0.00 H new ATOM 0 HA MET A 60 -15.348 7.438 0.351 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.175 4.824 -0.227 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.074 4.844 1.136 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.756 5.578 2.642 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.818 6.096 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.989 3.170 0.618 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.956 4.862 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.083 4.390 -0.308 1.00 0.00 H new ATOM 910 N ASP A 61 -13.138 8.593 1.201 1.00 0.00 N ATOM 911 CA ASP A 61 -12.158 9.247 2.070 1.00 0.00 C ATOM 912 C ASP A 61 -10.730 8.803 1.764 1.00 0.00 C ATOM 913 O ASP A 61 -9.775 9.526 2.046 1.00 0.00 O ATOM 914 CB ASP A 61 -12.482 8.967 3.537 1.00 0.00 C ATOM 915 CG ASP A 61 -12.658 10.239 4.344 1.00 0.00 C ATOM 916 OD1 ASP A 61 -13.369 11.149 3.870 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.083 10.325 5.450 1.00 0.00 O ATOM 0 H ASP A 61 -13.575 9.220 0.526 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.221 10.318 1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.394 8.373 3.598 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.682 8.370 3.975 1.00 0.00 H new ATOM 922 N GLY A 62 -10.588 7.611 1.202 1.00 0.00 N ATOM 923 CA GLY A 62 -9.276 7.093 0.888 1.00 0.00 C ATOM 924 C GLY A 62 -9.156 5.633 1.245 1.00 0.00 C ATOM 925 O GLY A 62 -8.390 4.893 0.627 1.00 0.00 O ATOM 0 H GLY A 62 -11.362 6.993 0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.077 7.226 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.520 7.664 1.428 1.00 0.00 H new ATOM 929 N LEU A 63 -9.932 5.212 2.235 1.00 0.00 N ATOM 930 CA LEU A 63 -9.923 3.825 2.653 1.00 0.00 C ATOM 931 C LEU A 63 -10.675 2.984 1.635 1.00 0.00 C ATOM 932 O LEU A 63 -10.512 1.765 1.581 1.00 0.00 O ATOM 933 CB LEU A 63 -10.540 3.648 4.040 1.00 0.00 C ATOM 934 CG LEU A 63 -9.921 4.501 5.147 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.656 5.821 5.275 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.932 3.761 6.473 1.00 0.00 C ATOM 0 H LEU A 63 -10.571 5.811 2.758 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.886 3.495 2.711 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.603 3.879 3.978 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.458 2.599 4.324 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.884 4.703 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.202 6.415 6.068 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.593 6.365 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.702 5.633 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.486 4.389 7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.959 3.523 6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.358 2.839 6.380 1.00 0.00 H new ATOM 948 N ALA A 64 -11.488 3.649 0.809 1.00 0.00 N ATOM 949 CA ALA A 64 -12.243 2.954 -0.222 1.00 0.00 C ATOM 950 C ALA A 64 -11.303 2.115 -1.073 1.00 0.00 C ATOM 951 O ALA A 64 -11.704 1.113 -1.662 1.00 0.00 O ATOM 952 CB ALA A 64 -12.993 3.950 -1.092 1.00 0.00 C ATOM 0 H ALA A 64 -11.635 4.658 0.838 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.970 2.298 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.553 3.414 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.683 4.525 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.282 4.625 -1.568 1.00 0.00 H new ATOM 958 N LEU A 65 -10.035 2.517 -1.103 1.00 0.00 N ATOM 959 CA LEU A 65 -9.027 1.788 -1.844 1.00 0.00 C ATOM 960 C LEU A 65 -8.902 0.388 -1.258 1.00 0.00 C ATOM 961 O LEU A 65 -8.820 -0.598 -1.985 1.00 0.00 O ATOM 962 CB LEU A 65 -7.683 2.514 -1.771 1.00 0.00 C ATOM 963 CG LEU A 65 -7.544 3.739 -2.679 1.00 0.00 C ATOM 964 CD1 LEU A 65 -8.690 4.716 -2.461 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.210 4.423 -2.431 1.00 0.00 C ATOM 0 H LEU A 65 -9.688 3.345 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.321 1.723 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.514 2.827 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.893 1.806 -2.022 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.583 3.402 -3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.565 5.576 -3.119 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.636 4.223 -2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.691 5.050 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.121 5.293 -3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -6.152 4.741 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.399 3.726 -2.643 1.00 0.00 H new ATOM 977 N LEU A 66 -8.915 0.320 0.071 1.00 0.00 N ATOM 978 CA LEU A 66 -8.827 -0.948 0.783 1.00 0.00 C ATOM 979 C LEU A 66 -10.043 -1.807 0.482 1.00 0.00 C ATOM 980 O LEU A 66 -9.930 -3.010 0.247 1.00 0.00 O ATOM 981 CB LEU A 66 -8.712 -0.694 2.285 1.00 0.00 C ATOM 982 CG LEU A 66 -7.409 -0.018 2.707 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.483 0.453 4.149 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.236 -0.965 2.507 1.00 0.00 C ATOM 0 H LEU A 66 -8.986 1.136 0.679 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.938 -1.481 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.550 -0.073 2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.802 -1.644 2.811 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.257 0.859 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.543 0.931 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.299 1.168 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.661 -0.401 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.313 -0.471 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.384 -1.860 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.168 -1.243 1.455 1.00 0.00 H new ATOM 996 N LYS A 67 -11.207 -1.174 0.478 1.00 0.00 N ATOM 997 CA LYS A 67 -12.456 -1.867 0.188 1.00 0.00 C ATOM 998 C LYS A 67 -12.321 -2.722 -1.075 1.00 0.00 C ATOM 999 O LYS A 67 -12.551 -3.931 -1.048 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.592 -0.858 0.010 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.965 -1.429 0.321 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.246 -1.418 1.813 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.426 -2.308 2.162 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.725 -1.659 1.832 1.00 0.00 N ATOM 0 H LYS A 67 -11.314 -0.178 0.673 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.686 -2.521 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.409 0.000 0.657 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.584 -0.491 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.728 -0.849 -0.198 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.030 -2.450 -0.055 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.362 -1.755 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.449 -0.398 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.343 -3.251 1.621 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.399 -2.547 3.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.506 -2.297 2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.816 -0.772 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.762 -1.454 0.813 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.940 -2.085 -2.180 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.771 -2.787 -3.450 1.00 0.00 C ATOM 1020 C GLN A 68 -10.722 -3.888 -3.327 1.00 0.00 C ATOM 1021 O GLN A 68 -10.807 -4.916 -3.995 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.351 -1.815 -4.557 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.242 -0.589 -4.679 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.630 -0.928 -5.189 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.027 -2.092 -5.212 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.377 0.091 -5.598 1.00 0.00 N ATOM 0 H GLN A 68 -11.743 -1.085 -2.222 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.731 -3.234 -3.708 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.327 -1.490 -4.371 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.349 -2.345 -5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.324 -0.105 -3.706 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.776 0.129 -5.354 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.008 1.041 -5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.320 -0.076 -5.949 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.724 -3.655 -2.482 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.645 -4.616 -2.283 1.00 0.00 C ATOM 1037 C ILE A 69 -9.161 -5.954 -1.776 1.00 0.00 C ATOM 1038 O ILE A 69 -8.768 -7.010 -2.272 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.582 -4.065 -1.304 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.912 -2.836 -1.920 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.552 -5.137 -0.960 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.011 -2.073 -0.977 1.00 0.00 C ATOM 0 H ILE A 69 -9.640 -2.806 -1.922 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.185 -4.775 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.070 -3.772 -0.375 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.328 -3.152 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.686 -2.162 -2.287 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.815 -4.726 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.052 -5.986 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.052 -5.467 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.579 -1.219 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.591 -1.722 -0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.212 -2.727 -0.628 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.034 -5.903 -0.791 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.595 -7.117 -0.218 1.00 0.00 C ATOM 1056 C LYS A 70 -11.481 -7.834 -1.225 1.00 0.00 C ATOM 1057 O LYS A 70 -11.636 -9.055 -1.176 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.381 -6.803 1.059 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.636 -5.974 0.830 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.656 -6.195 1.939 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.982 -6.692 1.387 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.825 -5.575 0.876 1.00 0.00 N ATOM 0 H LYS A 70 -10.372 -5.038 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.768 -7.778 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.661 -7.740 1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.729 -6.271 1.752 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.372 -4.917 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.078 -6.237 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.265 -6.918 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.813 -5.262 2.481 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.796 -7.404 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.523 -7.227 2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.296 -5.869 -0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.543 -5.328 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.226 -4.746 0.687 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.055 -7.068 -2.142 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.924 -7.621 -3.166 1.00 0.00 C ATOM 1078 C GLN A 71 -12.120 -8.102 -4.369 1.00 0.00 C ATOM 1079 O GLN A 71 -12.453 -9.110 -4.991 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.956 -6.581 -3.606 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.014 -6.293 -2.555 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.674 -4.944 -2.748 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.771 -4.847 -3.295 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.003 -3.893 -2.297 1.00 0.00 N ATOM 0 H GLN A 71 -11.932 -6.057 -2.196 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.443 -8.479 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.441 -5.653 -3.855 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.445 -6.929 -4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.774 -7.073 -2.587 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.558 -6.332 -1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.095 -4.021 -1.849 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.394 -2.956 -2.398 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.071 -7.360 -4.693 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.216 -7.688 -5.831 1.00 0.00 C ATOM 1095 C ARG A 72 -9.068 -8.607 -5.432 1.00 0.00 C ATOM 1096 O ARG A 72 -8.953 -9.726 -5.929 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.660 -6.410 -6.462 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.550 -5.829 -7.550 1.00 0.00 C ATOM 1099 CD ARG A 72 -9.878 -5.887 -8.914 1.00 0.00 C ATOM 1100 NE ARG A 72 -10.850 -6.006 -10.002 1.00 0.00 N ATOM 1101 CZ ARG A 72 -10.944 -5.149 -11.019 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.134 -4.099 -11.098 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.857 -5.342 -11.962 1.00 0.00 N ATOM 0 H ARG A 72 -10.788 -6.523 -4.183 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.831 -8.217 -6.559 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.519 -5.662 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.677 -6.621 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.491 -6.379 -7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.794 -4.795 -7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.278 -4.989 -9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.194 -6.735 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.496 -6.795 -9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.431 -3.942 -10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.215 -3.450 -11.881 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.485 -6.144 -11.908 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.931 -4.688 -12.741 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.217 -8.120 -4.545 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.063 -8.894 -4.088 1.00 0.00 C ATOM 1119 C HIS A 73 -7.446 -9.824 -2.942 1.00 0.00 C ATOM 1120 O HIS A 73 -8.313 -9.498 -2.130 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.909 -7.986 -3.635 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.968 -6.577 -4.147 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.358 -5.527 -3.503 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.562 -6.046 -5.240 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.574 -4.415 -4.178 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.305 -4.703 -5.236 1.00 0.00 N ATOM 0 H HIS A 73 -8.298 -7.194 -4.124 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.728 -9.486 -4.940 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.894 -7.960 -2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.968 -8.433 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.135 -6.584 -5.981 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.213 -3.433 -3.909 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -6.626 -4.034 -5.936 1.00 0.00 H new ATOM 1135 N PRO A 74 -6.798 -10.998 -2.857 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.057 -11.974 -1.819 1.00 0.00 C ATOM 1137 C PRO A 74 -6.095 -11.844 -0.646 1.00 0.00 C ATOM 1138 O PRO A 74 -4.943 -12.268 -0.719 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.827 -13.291 -2.551 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.791 -12.984 -3.595 1.00 0.00 C ATOM 1141 CD PRO A 74 -5.751 -11.478 -3.766 1.00 0.00 C ATOM 0 HA PRO A 74 -8.048 -11.866 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.480 -14.066 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.748 -13.655 -3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.815 -13.362 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -6.040 -13.471 -4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.775 -11.071 -3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.951 -11.186 -4.797 1.00 0.00 H new ATOM 1149 N MET A 75 -6.586 -11.270 0.442 1.00 0.00 N ATOM 1150 CA MET A 75 -5.793 -11.098 1.647 1.00 0.00 C ATOM 1151 C MET A 75 -4.483 -10.366 1.372 1.00 0.00 C ATOM 1152 O MET A 75 -3.516 -10.512 2.119 1.00 0.00 O ATOM 1153 CB MET A 75 -5.513 -12.467 2.249 1.00 0.00 C ATOM 1154 CG MET A 75 -6.683 -13.038 3.031 1.00 0.00 C ATOM 1155 SD MET A 75 -6.162 -14.007 4.461 1.00 0.00 S ATOM 1156 CE MET A 75 -5.272 -15.338 3.658 1.00 0.00 C ATOM 0 H MET A 75 -7.539 -10.913 0.513 1.00 0.00 H new ATOM 0 HA MET A 75 -6.360 -10.484 2.347 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.249 -13.159 1.449 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.647 -12.395 2.907 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.324 -12.222 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.283 -13.665 2.372 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.963 -16.071 4.403 1.00 0.00 H new ATOM 0 HE2 MET A 75 -5.919 -15.818 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 75 -4.391 -14.936 3.157 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.452 -9.575 0.305 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.251 -8.829 -0.042 1.00 0.00 C ATOM 1168 C LEU A 76 -2.981 -7.724 0.975 1.00 0.00 C ATOM 1169 O LEU A 76 -3.758 -6.777 1.087 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.375 -8.215 -1.435 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.147 -7.439 -1.892 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.126 -8.386 -2.488 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.534 -6.368 -2.896 1.00 0.00 C ATOM 0 H LEU A 76 -5.239 -9.435 -0.329 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.417 -9.531 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.575 -9.010 -2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.237 -7.548 -1.449 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.703 -6.947 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.252 -7.821 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.828 -9.118 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.563 -8.901 -3.344 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.643 -5.825 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.000 -6.834 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.238 -5.675 -2.435 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.872 -7.823 1.732 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.516 -6.816 2.735 1.00 0.00 C ATOM 1187 C PRO A 77 -1.360 -5.431 2.122 1.00 0.00 C ATOM 1188 O PRO A 77 -0.537 -5.223 1.230 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.180 -7.313 3.298 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.145 -8.766 2.972 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.880 -8.910 1.670 1.00 0.00 C ATOM 0 HA PRO A 77 -2.289 -6.708 3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.660 -6.786 2.846 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.118 -7.148 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.881 -9.122 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.620 -9.355 3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.213 -8.800 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.356 -9.887 1.580 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.163 -4.491 2.604 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.128 -3.124 2.106 1.00 0.00 C ATOM 1201 C VAL A 78 -1.727 -2.149 3.199 1.00 0.00 C ATOM 1202 O VAL A 78 -1.974 -2.381 4.382 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.490 -2.670 1.542 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.287 -1.571 0.512 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.261 -3.836 0.939 1.00 0.00 C ATOM 0 H VAL A 78 -2.848 -4.652 3.342 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.389 -3.121 1.305 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.084 -2.277 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.254 -1.257 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.792 -0.720 0.980 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.669 -1.946 -0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.215 -3.480 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.681 -4.275 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.440 -4.590 1.706 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.109 -1.053 2.791 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.673 -0.032 3.721 1.00 0.00 C ATOM 1217 C ILE A 79 -1.113 1.346 3.258 1.00 0.00 C ATOM 1218 O ILE A 79 -0.749 1.791 2.171 1.00 0.00 O ATOM 1219 CB ILE A 79 0.849 -0.039 3.862 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.345 -1.455 4.147 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.281 0.926 4.952 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.121 -2.057 2.997 1.00 0.00 C ATOM 0 H ILE A 79 -0.898 -0.849 1.814 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.130 -0.255 4.685 1.00 0.00 H new ATOM 0 HB ILE A 79 1.295 0.292 2.924 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.977 -1.440 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.491 -2.093 4.374 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.367 0.911 5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.952 1.933 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.834 0.627 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.445 -3.063 3.264 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.485 -2.103 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.994 -1.439 2.784 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.895 2.019 4.082 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.375 3.344 3.737 1.00 0.00 C ATOM 1236 C ILE A 80 -1.486 4.432 4.337 1.00 0.00 C ATOM 1237 O ILE A 80 -0.910 4.259 5.411 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.834 3.542 4.184 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.672 2.327 3.786 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.416 4.808 3.576 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.791 2.138 2.289 1.00 0.00 C ATOM 0 H ILE A 80 -2.209 1.673 4.989 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.333 3.429 2.651 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.854 3.646 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.229 1.432 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.670 2.429 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.448 4.929 3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.830 5.669 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.388 4.736 2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.399 1.258 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.262 3.017 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.798 2.004 1.859 1.00 0.00 H new ATOM 1253 N MET A 81 -1.369 5.545 3.617 1.00 0.00 N ATOM 1254 CA MET A 81 -0.532 6.666 4.057 1.00 0.00 C ATOM 1255 C MET A 81 -1.240 7.547 5.082 1.00 0.00 C ATOM 1256 O MET A 81 -0.595 8.316 5.787 1.00 0.00 O ATOM 1257 CB MET A 81 -0.084 7.538 2.871 1.00 0.00 C ATOM 1258 CG MET A 81 -0.787 7.239 1.556 1.00 0.00 C ATOM 1259 SD MET A 81 -0.182 5.729 0.775 1.00 0.00 S ATOM 1260 CE MET A 81 1.485 6.215 0.348 1.00 0.00 C ATOM 0 H MET A 81 -1.842 5.698 2.726 1.00 0.00 H new ATOM 0 HA MET A 81 0.344 6.219 4.527 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.250 8.585 3.125 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.989 7.410 2.730 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.859 7.148 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.647 8.078 0.874 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.937 5.449 -0.282 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.461 7.162 -0.192 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.074 6.331 1.258 1.00 0.00 H new ATOM 1270 N THR A 82 -2.560 7.451 5.162 1.00 0.00 N ATOM 1271 CA THR A 82 -3.311 8.269 6.110 1.00 0.00 C ATOM 1272 C THR A 82 -4.552 7.536 6.617 1.00 0.00 C ATOM 1273 O THR A 82 -5.092 6.672 5.933 1.00 0.00 O ATOM 1274 CB THR A 82 -3.709 9.593 5.455 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.655 10.089 4.644 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.063 10.672 6.458 1.00 0.00 C ATOM 0 H THR A 82 -3.128 6.825 4.592 1.00 0.00 H new ATOM 0 HA THR A 82 -2.669 8.470 6.968 1.00 0.00 H new ATOM 0 HB THR A 82 -4.593 9.368 4.859 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.701 9.673 3.758 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.336 11.585 5.929 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.904 10.341 7.067 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.204 10.868 7.100 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.998 7.893 7.821 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.183 7.274 8.416 1.00 0.00 C ATOM 1286 C ALA A 83 -7.122 8.319 9.030 1.00 0.00 C ATOM 1287 O ALA A 83 -8.179 7.973 9.555 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.781 6.262 9.477 1.00 0.00 C ATOM 0 H ALA A 83 -4.558 8.606 8.403 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.718 6.765 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.675 5.812 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.166 5.484 9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.213 6.763 10.261 1.00 0.00 H new ATOM 1294 N HIS A 84 -6.714 9.593 8.972 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.489 10.711 9.529 1.00 0.00 C ATOM 1296 C HIS A 84 -8.456 10.270 10.634 1.00 0.00 C ATOM 1297 O HIS A 84 -8.067 10.169 11.797 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.235 11.485 8.432 1.00 0.00 C ATOM 1299 CG HIS A 84 -8.504 10.704 7.183 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.036 9.432 7.184 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.317 11.029 5.881 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.163 9.012 5.938 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.735 9.961 5.130 1.00 0.00 N ATOM 0 H HIS A 84 -5.837 9.879 8.537 1.00 0.00 H new ATOM 0 HA HIS A 84 -6.763 11.382 9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.185 11.835 8.836 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.654 12.370 8.172 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -9.291 8.899 8.016 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.913 11.957 5.505 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.552 8.052 5.633 1.00 0.00 H new ATOM 1312 N SER A 85 -9.720 10.024 10.279 1.00 0.00 N ATOM 1313 CA SER A 85 -10.713 9.620 11.271 1.00 0.00 C ATOM 1314 C SER A 85 -11.677 8.552 10.746 1.00 0.00 C ATOM 1315 O SER A 85 -12.416 7.948 11.525 1.00 0.00 O ATOM 1316 CB SER A 85 -11.508 10.841 11.732 1.00 0.00 C ATOM 1317 OG SER A 85 -10.864 11.497 12.812 1.00 0.00 O ATOM 0 H SER A 85 -10.074 10.097 9.325 1.00 0.00 H new ATOM 0 HA SER A 85 -10.168 9.181 12.107 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.627 11.536 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.509 10.533 12.035 1.00 0.00 H new ATOM 0 HG SER A 85 -9.907 11.286 12.799 1.00 0.00 H new ATOM 1323 N ASP A 86 -11.680 8.319 9.436 1.00 0.00 N ATOM 1324 CA ASP A 86 -12.571 7.324 8.841 1.00 0.00 C ATOM 1325 C ASP A 86 -12.031 5.904 9.036 1.00 0.00 C ATOM 1326 O ASP A 86 -12.045 5.089 8.113 1.00 0.00 O ATOM 1327 CB ASP A 86 -12.762 7.618 7.352 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.069 7.069 6.813 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.130 7.648 7.128 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.033 6.061 6.077 1.00 0.00 O ATOM 0 H ASP A 86 -11.079 8.802 8.768 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.535 7.387 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.731 8.696 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -11.932 7.188 6.791 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.567 5.619 10.251 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.019 4.308 10.601 1.00 0.00 C ATOM 1337 C LEU A 87 -11.973 3.171 10.237 1.00 0.00 C ATOM 1338 O LEU A 87 -11.557 2.018 10.114 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.697 4.261 12.098 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.255 3.880 12.448 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.952 2.451 12.018 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.277 4.853 11.804 1.00 0.00 C ATOM 0 H LEU A 87 -11.560 6.289 11.020 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.106 4.168 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.911 5.239 12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.369 3.548 12.575 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.139 3.939 13.530 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.923 2.204 12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.629 1.766 12.528 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.087 2.359 10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.257 4.568 12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.398 4.827 10.721 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.475 5.862 12.167 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.254 3.494 10.088 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.269 2.491 9.765 1.00 0.00 C ATOM 1356 C ASP A 88 -13.827 1.593 8.613 1.00 0.00 C ATOM 1357 O ASP A 88 -13.782 0.371 8.754 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.588 3.174 9.400 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.279 3.780 10.604 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.813 3.012 11.432 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.288 5.024 10.721 1.00 0.00 O ATOM 0 H ASP A 88 -13.616 4.443 10.185 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.407 1.869 10.649 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.398 3.954 8.663 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.252 2.448 8.931 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.503 2.195 7.477 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.069 1.428 6.319 1.00 0.00 C ATOM 1368 C ALA A 89 -11.702 0.793 6.557 1.00 0.00 C ATOM 1369 O ALA A 89 -11.328 -0.166 5.884 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.047 2.299 5.076 1.00 0.00 C ATOM 0 H ALA A 89 -13.532 3.204 7.333 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.788 0.624 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.720 1.706 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.048 2.687 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.358 3.130 5.226 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.963 1.330 7.525 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.642 0.807 7.853 1.00 0.00 C ATOM 1378 C ALA A 90 -9.749 -0.549 8.527 1.00 0.00 C ATOM 1379 O ALA A 90 -8.921 -1.431 8.300 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.889 1.766 8.762 1.00 0.00 C ATOM 0 H ALA A 90 -11.256 2.124 8.093 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.091 0.697 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.907 1.353 8.992 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.771 2.726 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.449 1.907 9.686 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.761 -0.707 9.371 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.948 -1.960 10.085 1.00 0.00 C ATOM 1388 C VAL A 91 -11.239 -3.105 9.125 1.00 0.00 C ATOM 1389 O VAL A 91 -10.698 -4.199 9.274 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.064 -1.881 11.140 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.902 -3.013 12.143 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -12.045 -0.532 11.847 1.00 0.00 C ATOM 0 H VAL A 91 -11.457 0.010 9.575 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.009 -2.152 10.604 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.028 -1.984 10.641 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.694 -2.954 12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.962 -3.970 11.625 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.933 -2.927 12.635 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.843 -0.499 12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.084 -0.394 12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.195 0.263 11.117 1.00 0.00 H new ATOM 1402 N SER A 92 -12.075 -2.846 8.123 1.00 0.00 N ATOM 1403 CA SER A 92 -12.401 -3.865 7.134 1.00 0.00 C ATOM 1404 C SER A 92 -11.138 -4.296 6.393 1.00 0.00 C ATOM 1405 O SER A 92 -11.096 -5.355 5.766 1.00 0.00 O ATOM 1406 CB SER A 92 -13.437 -3.340 6.141 1.00 0.00 C ATOM 1407 OG SER A 92 -14.592 -2.868 6.813 1.00 0.00 O ATOM 0 H SER A 92 -12.535 -1.947 7.976 1.00 0.00 H new ATOM 0 HA SER A 92 -12.824 -4.726 7.651 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.002 -2.535 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.715 -4.133 5.447 1.00 0.00 H new ATOM 0 HG SER A 92 -15.239 -2.536 6.157 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.112 -3.458 6.465 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.845 -3.732 5.815 1.00 0.00 C ATOM 1415 C ALA A 93 -8.029 -4.776 6.567 1.00 0.00 C ATOM 1416 O ALA A 93 -7.577 -5.763 5.993 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.060 -2.452 5.673 1.00 0.00 C ATOM 0 H ALA A 93 -10.138 -2.574 6.974 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.057 -4.142 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.108 -2.661 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.628 -1.742 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.875 -2.027 6.660 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.834 -4.547 7.856 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.061 -5.476 8.680 1.00 0.00 C ATOM 1425 C TYR A 94 -7.682 -6.864 8.644 1.00 0.00 C ATOM 1426 O TYR A 94 -6.984 -7.876 8.707 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.974 -4.999 10.135 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.826 -3.503 10.303 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.708 -2.834 9.818 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.801 -2.761 10.960 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.567 -1.469 9.982 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.667 -1.396 11.125 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.550 -0.756 10.635 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.411 0.603 10.800 1.00 0.00 O ATOM 0 H TYR A 94 -8.195 -3.734 8.355 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.053 -5.514 8.266 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.871 -5.323 10.663 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.127 -5.490 10.614 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.937 -3.390 9.305 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.677 -3.260 11.348 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.692 -0.964 9.601 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.434 -0.833 11.636 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.063 0.999 9.974 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.000 -6.894 8.552 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.734 -8.152 8.522 1.00 0.00 C ATOM 1446 C GLN A 95 -9.633 -8.829 7.158 1.00 0.00 C ATOM 1447 O GLN A 95 -9.517 -10.052 7.077 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.196 -7.922 8.900 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.968 -7.096 7.889 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.603 -7.939 6.802 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.628 -9.166 6.889 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.123 -7.283 5.769 1.00 0.00 N ATOM 0 H GLN A 95 -9.587 -6.062 8.497 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.281 -8.820 9.255 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.687 -8.888 9.017 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.237 -7.424 9.869 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.745 -6.532 8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.296 -6.369 7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.080 -6.264 5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.565 -7.798 5.008 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.674 -8.039 6.087 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.580 -8.593 4.744 1.00 0.00 C ATOM 1463 C GLN A 96 -8.156 -9.055 4.439 1.00 0.00 C ATOM 1464 O GLN A 96 -7.944 -9.847 3.525 1.00 0.00 O ATOM 1465 CB GLN A 96 -10.048 -7.581 3.692 1.00 0.00 C ATOM 1466 CG GLN A 96 -9.305 -6.258 3.730 1.00 0.00 C ATOM 1467 CD GLN A 96 -8.361 -6.079 2.557 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -8.312 -6.912 1.651 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.605 -4.987 2.567 1.00 0.00 N ATOM 0 H GLN A 96 -9.771 -7.024 6.124 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.240 -9.460 4.701 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.932 -8.022 2.702 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -11.112 -7.392 3.834 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.027 -5.441 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.739 -6.191 4.659 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.678 -4.323 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.951 -4.812 1.804 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.186 -8.568 5.216 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.803 -8.966 5.007 1.00 0.00 C ATOM 1480 C GLY A 97 -4.828 -7.798 4.949 1.00 0.00 C ATOM 1481 O GLY A 97 -3.631 -8.002 4.745 1.00 0.00 O ATOM 0 H GLY A 97 -7.333 -7.910 5.981 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.503 -9.638 5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.734 -9.531 4.077 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.328 -6.577 5.121 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.474 -5.392 5.077 1.00 0.00 C ATOM 1487 C ALA A 98 -3.342 -5.478 6.100 1.00 0.00 C ATOM 1488 O ALA A 98 -3.421 -6.239 7.064 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.296 -4.133 5.297 1.00 0.00 C ATOM 0 H ALA A 98 -6.315 -6.382 5.291 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.023 -5.347 4.086 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.643 -3.261 5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.053 -4.052 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.782 -4.182 6.271 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.287 -4.697 5.878 1.00 0.00 N ATOM 1496 CA PHE A 99 -1.137 -4.689 6.772 1.00 0.00 C ATOM 1497 C PHE A 99 -1.352 -3.740 7.949 1.00 0.00 C ATOM 1498 O PHE A 99 -1.224 -4.142 9.106 1.00 0.00 O ATOM 1499 CB PHE A 99 0.124 -4.286 6.007 1.00 0.00 C ATOM 1500 CG PHE A 99 1.379 -4.327 6.835 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.989 -5.536 7.134 1.00 0.00 C ATOM 1502 CD2 PHE A 99 1.952 -3.156 7.309 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.145 -5.575 7.891 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.108 -3.191 8.067 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.705 -4.401 8.358 1.00 0.00 C ATOM 0 H PHE A 99 -2.207 -4.061 5.084 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.016 -5.698 7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.244 -4.949 5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.008 -3.278 5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.556 -6.457 6.772 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.490 -2.206 7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.611 -6.523 8.117 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.543 -2.272 8.431 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.608 -4.430 8.950 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.679 -2.482 7.650 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.909 -1.475 8.691 1.00 0.00 C ATOM 1517 C ASP A 100 -2.100 -0.088 8.082 1.00 0.00 C ATOM 1518 O ASP A 100 -2.320 0.050 6.879 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.737 -1.447 9.683 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.185 -1.150 11.101 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.065 -1.875 11.610 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.657 -0.189 11.700 1.00 0.00 O ATOM 0 H ASP A 100 -1.791 -2.135 6.697 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.820 -1.750 9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.223 -2.408 9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.016 -0.693 9.368 1.00 0.00 H new ATOM 1527 N TYR A 101 -2.018 0.936 8.929 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.180 2.314 8.490 1.00 0.00 C ATOM 1529 C TYR A 101 -1.004 3.165 8.952 1.00 0.00 C ATOM 1530 O TYR A 101 -0.719 3.255 10.146 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.488 2.893 9.038 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.626 2.868 8.049 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.317 1.692 7.779 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.009 4.024 7.386 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.360 1.678 6.874 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.050 4.014 6.482 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.721 2.843 6.231 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.752 2.838 5.327 1.00 0.00 O ATOM 0 H TYR A 101 -1.839 0.833 9.928 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.213 2.326 7.401 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.779 2.332 9.926 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.315 3.922 9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -5.035 0.779 8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.483 4.947 7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.890 0.759 6.671 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.336 4.923 5.974 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.484 3.329 4.522 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.327 3.791 7.999 1.00 0.00 N ATOM 1549 CA LEU A 102 0.817 4.642 8.304 1.00 0.00 C ATOM 1550 C LEU A 102 0.406 6.109 8.227 1.00 0.00 C ATOM 1551 O LEU A 102 -0.366 6.490 7.352 1.00 0.00 O ATOM 1552 CB LEU A 102 1.962 4.350 7.324 1.00 0.00 C ATOM 1553 CG LEU A 102 3.151 5.316 7.380 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.270 4.739 8.233 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.659 5.622 5.974 1.00 0.00 C ATOM 0 H LEU A 102 -0.550 3.726 7.006 1.00 0.00 H new ATOM 0 HA LEU A 102 1.164 4.430 9.315 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.329 3.341 7.513 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.559 4.358 6.311 1.00 0.00 H new ATOM 0 HG LEU A 102 2.814 6.247 7.837 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.105 5.439 8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.905 4.570 9.246 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.603 3.794 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.503 6.309 6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.977 4.697 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.860 6.079 5.390 1.00 0.00 H new ATOM 1567 N PRO A 103 0.911 6.956 9.139 1.00 0.00 N ATOM 1568 CA PRO A 103 0.581 8.384 9.151 1.00 0.00 C ATOM 1569 C PRO A 103 0.893 9.039 7.808 1.00 0.00 C ATOM 1570 O PRO A 103 1.562 8.440 6.964 1.00 0.00 O ATOM 1571 CB PRO A 103 1.458 8.954 10.276 1.00 0.00 C ATOM 1572 CG PRO A 103 2.497 7.912 10.526 1.00 0.00 C ATOM 1573 CD PRO A 103 1.840 6.600 10.220 1.00 0.00 C ATOM 0 HA PRO A 103 -0.480 8.569 9.316 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.912 9.900 9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.871 9.148 11.173 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.370 8.070 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.843 7.945 11.559 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.563 5.848 9.903 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.318 6.195 11.087 1.00 0.00 H new ATOM 1581 N LYS A 104 0.384 10.255 7.595 1.00 0.00 N ATOM 1582 CA LYS A 104 0.589 10.967 6.328 1.00 0.00 C ATOM 1583 C LYS A 104 2.019 10.835 5.803 1.00 0.00 C ATOM 1584 O LYS A 104 2.219 10.552 4.621 1.00 0.00 O ATOM 1585 CB LYS A 104 0.218 12.443 6.452 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.508 12.978 5.225 1.00 0.00 C ATOM 1587 CD LYS A 104 0.268 12.700 3.942 1.00 0.00 C ATOM 1588 CE LYS A 104 -0.244 11.451 3.230 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.147 11.423 1.791 1.00 0.00 N ATOM 0 H LYS A 104 -0.172 10.767 8.280 1.00 0.00 H new ATOM 0 HA LYS A 104 -0.075 10.492 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.413 12.581 7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.124 13.027 6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.495 12.521 5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.660 14.052 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.187 13.558 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.325 12.577 4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.148 10.564 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.330 11.408 3.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.606 10.969 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.289 12.395 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.031 10.885 1.682 1.00 0.00 H new ATOM 1603 N PRO A 105 3.039 11.031 6.660 1.00 0.00 N ATOM 1604 CA PRO A 105 4.436 10.917 6.236 1.00 0.00 C ATOM 1605 C PRO A 105 4.651 9.647 5.426 1.00 0.00 C ATOM 1606 O PRO A 105 3.801 8.757 5.428 1.00 0.00 O ATOM 1607 CB PRO A 105 5.195 10.857 7.559 1.00 0.00 C ATOM 1608 CG PRO A 105 4.345 11.633 8.505 1.00 0.00 C ATOM 1609 CD PRO A 105 2.921 11.381 8.086 1.00 0.00 C ATOM 0 HA PRO A 105 4.761 11.736 5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.328 9.829 7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.190 11.294 7.468 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.512 11.312 9.533 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.582 12.696 8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.470 10.573 8.662 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.297 12.263 8.233 1.00 0.00 H new ATOM 1617 N PHE A 106 5.759 9.570 4.705 1.00 0.00 N ATOM 1618 CA PHE A 106 6.016 8.406 3.878 1.00 0.00 C ATOM 1619 C PHE A 106 7.473 8.360 3.419 1.00 0.00 C ATOM 1620 O PHE A 106 8.329 7.836 4.129 1.00 0.00 O ATOM 1621 CB PHE A 106 5.051 8.417 2.684 1.00 0.00 C ATOM 1622 CG PHE A 106 4.678 7.056 2.177 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.739 6.282 2.843 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.256 6.555 1.022 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.386 5.035 2.363 1.00 0.00 C ATOM 1626 CE2 PHE A 106 4.907 5.309 0.541 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.972 4.550 1.209 1.00 0.00 C ATOM 0 H PHE A 106 6.483 10.288 4.676 1.00 0.00 H new ATOM 0 HA PHE A 106 5.845 7.504 4.466 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.142 8.946 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.505 8.983 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.279 6.658 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.988 7.146 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.653 4.441 2.889 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.367 4.929 -0.359 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.697 3.576 0.831 1.00 0.00 H new ATOM 1637 N ASP A 107 7.763 8.898 2.233 1.00 0.00 N ATOM 1638 CA ASP A 107 9.122 8.891 1.703 1.00 0.00 C ATOM 1639 C ASP A 107 9.772 7.525 1.915 1.00 0.00 C ATOM 1640 O ASP A 107 9.129 6.591 2.386 1.00 0.00 O ATOM 1641 CB ASP A 107 9.961 9.994 2.358 1.00 0.00 C ATOM 1642 CG ASP A 107 10.216 9.746 3.833 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.389 10.183 4.660 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.245 9.119 4.160 1.00 0.00 O ATOM 0 H ASP A 107 7.075 9.342 1.625 1.00 0.00 H new ATOM 0 HA ASP A 107 9.074 9.087 0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.916 10.074 1.838 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.452 10.950 2.238 1.00 0.00 H new ATOM 1649 N ILE A 108 11.033 7.403 1.560 1.00 0.00 N ATOM 1650 CA ILE A 108 11.735 6.140 1.722 1.00 0.00 C ATOM 1651 C ILE A 108 11.936 5.804 3.184 1.00 0.00 C ATOM 1652 O ILE A 108 11.723 4.672 3.616 1.00 0.00 O ATOM 1653 CB ILE A 108 13.071 6.155 0.950 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.844 5.662 -0.477 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.164 5.327 1.628 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.587 6.213 -1.125 1.00 0.00 C ATOM 0 H ILE A 108 11.593 8.155 1.160 1.00 0.00 H new ATOM 0 HA ILE A 108 11.115 5.351 1.296 1.00 0.00 H new ATOM 0 HB ILE A 108 13.425 7.186 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.705 5.935 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.791 4.573 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.078 5.378 1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.354 5.723 2.625 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.839 4.289 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.495 5.817 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.716 5.918 -0.539 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.645 7.301 -1.165 1.00 0.00 H new ATOM 1668 N ASP A 109 12.361 6.792 3.938 1.00 0.00 N ATOM 1669 CA ASP A 109 12.610 6.607 5.356 1.00 0.00 C ATOM 1670 C ASP A 109 11.406 5.985 6.064 1.00 0.00 C ATOM 1671 O ASP A 109 11.530 4.939 6.692 1.00 0.00 O ATOM 1672 CB ASP A 109 12.976 7.939 6.015 1.00 0.00 C ATOM 1673 CG ASP A 109 13.621 7.751 7.374 1.00 0.00 C ATOM 1674 OD1 ASP A 109 13.357 6.714 8.018 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.388 8.643 7.796 1.00 0.00 O ATOM 0 H ASP A 109 12.543 7.735 3.595 1.00 0.00 H new ATOM 0 HA ASP A 109 13.449 5.918 5.453 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.657 8.488 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.078 8.547 6.123 1.00 0.00 H new ATOM 1680 N GLU A 110 10.254 6.649 5.980 1.00 0.00 N ATOM 1681 CA GLU A 110 9.042 6.177 6.637 1.00 0.00 C ATOM 1682 C GLU A 110 8.362 5.032 5.886 1.00 0.00 C ATOM 1683 O GLU A 110 7.712 4.187 6.506 1.00 0.00 O ATOM 1684 CB GLU A 110 8.055 7.338 6.827 1.00 0.00 C ATOM 1685 CG GLU A 110 8.669 8.561 7.488 1.00 0.00 C ATOM 1686 CD GLU A 110 8.384 8.623 8.975 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.468 7.569 9.641 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.076 9.726 9.476 1.00 0.00 O ATOM 0 H GLU A 110 10.137 7.519 5.460 1.00 0.00 H new ATOM 0 HA GLU A 110 9.345 5.784 7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.654 7.625 5.855 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.215 6.994 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.747 8.553 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.282 9.461 7.010 1.00 0.00 H new ATOM 1695 N ALA A 111 8.499 4.997 4.566 1.00 0.00 N ATOM 1696 CA ALA A 111 7.870 3.940 3.784 1.00 0.00 C ATOM 1697 C ALA A 111 8.720 2.683 3.774 1.00 0.00 C ATOM 1698 O ALA A 111 8.241 1.602 4.119 1.00 0.00 O ATOM 1699 CB ALA A 111 7.575 4.404 2.367 1.00 0.00 C ATOM 0 H ALA A 111 9.031 5.676 4.022 1.00 0.00 H new ATOM 0 HA ALA A 111 6.921 3.699 4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.106 3.594 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.902 5.261 2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.505 4.691 1.877 1.00 0.00 H new ATOM 1705 N VAL A 112 9.985 2.817 3.391 1.00 0.00 N ATOM 1706 CA VAL A 112 10.876 1.668 3.366 1.00 0.00 C ATOM 1707 C VAL A 112 10.952 1.036 4.746 1.00 0.00 C ATOM 1708 O VAL A 112 11.091 -0.179 4.889 1.00 0.00 O ATOM 1709 CB VAL A 112 12.294 2.029 2.904 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.148 0.774 2.831 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.251 2.737 1.560 1.00 0.00 C ATOM 0 H VAL A 112 10.410 3.697 3.098 1.00 0.00 H new ATOM 0 HA VAL A 112 10.459 0.964 2.646 1.00 0.00 H new ATOM 0 HB VAL A 112 12.741 2.711 3.627 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.154 1.037 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.198 0.310 3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.706 0.074 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.265 2.986 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.793 2.083 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.664 3.651 1.649 1.00 0.00 H new ATOM 1721 N ALA A 113 10.842 1.876 5.758 1.00 0.00 N ATOM 1722 CA ALA A 113 10.875 1.420 7.134 1.00 0.00 C ATOM 1723 C ALA A 113 9.747 0.435 7.388 1.00 0.00 C ATOM 1724 O ALA A 113 9.956 -0.667 7.894 1.00 0.00 O ATOM 1725 CB ALA A 113 10.734 2.608 8.068 1.00 0.00 C ATOM 0 H ALA A 113 10.728 2.884 5.651 1.00 0.00 H new ATOM 0 HA ALA A 113 11.827 0.922 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.759 2.263 9.102 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.555 3.304 7.898 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.786 3.111 7.876 1.00 0.00 H new ATOM 1731 N LEU A 114 8.546 0.870 7.046 1.00 0.00 N ATOM 1732 CA LEU A 114 7.346 0.078 7.240 1.00 0.00 C ATOM 1733 C LEU A 114 7.207 -1.057 6.224 1.00 0.00 C ATOM 1734 O LEU A 114 6.472 -2.016 6.465 1.00 0.00 O ATOM 1735 CB LEU A 114 6.125 0.991 7.174 1.00 0.00 C ATOM 1736 CG LEU A 114 4.781 0.308 7.423 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.450 0.296 8.908 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.685 1.004 6.635 1.00 0.00 C ATOM 0 H LEU A 114 8.377 1.784 6.626 1.00 0.00 H new ATOM 0 HA LEU A 114 7.420 -0.391 8.221 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.249 1.789 7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.097 1.462 6.191 1.00 0.00 H new ATOM 0 HG LEU A 114 4.850 -0.726 7.084 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.489 -0.195 9.063 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.226 -0.246 9.449 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.398 1.320 9.277 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.732 0.508 6.821 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.618 2.046 6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.917 0.958 5.571 1.00 0.00 H new ATOM 1750 N VAL A 115 7.892 -0.959 5.088 1.00 0.00 N ATOM 1751 CA VAL A 115 7.789 -2.007 4.072 1.00 0.00 C ATOM 1752 C VAL A 115 8.649 -3.217 4.424 1.00 0.00 C ATOM 1753 O VAL A 115 8.213 -4.361 4.285 1.00 0.00 O ATOM 1754 CB VAL A 115 8.156 -1.511 2.655 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.657 -1.339 2.506 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.626 -2.477 1.606 1.00 0.00 C ATOM 0 H VAL A 115 8.511 -0.185 4.849 1.00 0.00 H new ATOM 0 HA VAL A 115 6.739 -2.301 4.062 1.00 0.00 H new ATOM 0 HB VAL A 115 7.690 -0.537 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.885 -0.989 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.014 -0.609 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.152 -2.295 2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.891 -2.116 0.612 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.065 -3.462 1.764 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.541 -2.546 1.690 1.00 0.00 H new ATOM 1766 N GLU A 116 9.873 -2.961 4.876 1.00 0.00 N ATOM 1767 CA GLU A 116 10.787 -4.035 5.244 1.00 0.00 C ATOM 1768 C GLU A 116 10.195 -4.887 6.360 1.00 0.00 C ATOM 1769 O GLU A 116 10.120 -6.109 6.245 1.00 0.00 O ATOM 1770 CB GLU A 116 12.139 -3.463 5.673 1.00 0.00 C ATOM 1771 CG GLU A 116 12.957 -2.921 4.512 1.00 0.00 C ATOM 1772 CD GLU A 116 14.448 -2.939 4.786 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.934 -3.933 5.366 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.131 -1.959 4.420 1.00 0.00 O ATOM 0 H GLU A 116 10.253 -2.022 4.996 1.00 0.00 H new ATOM 0 HA GLU A 116 10.938 -4.669 4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.975 -2.665 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.711 -4.241 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.749 -3.511 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.644 -1.899 4.298 1.00 0.00 H new ATOM 1781 N ARG A 117 9.762 -4.236 7.436 1.00 0.00 N ATOM 1782 CA ARG A 117 9.166 -4.945 8.562 1.00 0.00 C ATOM 1783 C ARG A 117 7.929 -5.720 8.122 1.00 0.00 C ATOM 1784 O ARG A 117 7.537 -6.698 8.758 1.00 0.00 O ATOM 1785 CB ARG A 117 8.808 -3.969 9.686 1.00 0.00 C ATOM 1786 CG ARG A 117 7.784 -2.919 9.286 1.00 0.00 C ATOM 1787 CD ARG A 117 7.556 -1.911 10.404 1.00 0.00 C ATOM 1788 NE ARG A 117 6.156 -1.858 10.821 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.750 -1.391 12.001 1.00 0.00 C ATOM 1790 NH1 ARG A 117 6.631 -0.939 12.887 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.458 -1.373 12.297 1.00 0.00 N ATOM 0 H ARG A 117 9.813 -3.224 7.551 1.00 0.00 H new ATOM 0 HA ARG A 117 9.901 -5.656 8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.423 -4.533 10.535 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.716 -3.468 10.022 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.124 -2.400 8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.841 -3.405 9.035 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.179 -2.172 11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 117 7.872 -0.923 10.070 1.00 0.00 H new ATOM 0 HE ARG A 117 5.448 -2.199 10.170 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.627 -0.948 12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.312 -0.583 13.788 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.775 -1.717 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.147 -1.016 13.200 1.00 0.00 H new ATOM 1805 N ALA A 118 7.320 -5.277 7.028 1.00 0.00 N ATOM 1806 CA ALA A 118 6.131 -5.928 6.500 1.00 0.00 C ATOM 1807 C ALA A 118 6.485 -7.241 5.811 1.00 0.00 C ATOM 1808 O ALA A 118 5.913 -8.288 6.115 1.00 0.00 O ATOM 1809 CB ALA A 118 5.404 -5.003 5.533 1.00 0.00 C ATOM 0 H ALA A 118 7.632 -4.468 6.490 1.00 0.00 H new ATOM 0 HA ALA A 118 5.470 -6.152 7.337 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.517 -5.505 5.147 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.108 -4.092 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 118 6.066 -4.749 4.705 1.00 0.00 H new ATOM 1815 N ILE A 119 7.433 -7.179 4.881 1.00 0.00 N ATOM 1816 CA ILE A 119 7.863 -8.359 4.148 1.00 0.00 C ATOM 1817 C ILE A 119 8.667 -9.297 5.036 1.00 0.00 C ATOM 1818 O ILE A 119 8.627 -10.516 4.874 1.00 0.00 O ATOM 1819 CB ILE A 119 8.719 -7.976 2.928 1.00 0.00 C ATOM 1820 CG1 ILE A 119 8.043 -6.870 2.121 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.984 -9.187 2.051 1.00 0.00 C ATOM 1822 CD1 ILE A 119 9.026 -5.863 1.572 1.00 0.00 C ATOM 0 H ILE A 119 7.918 -6.321 4.619 1.00 0.00 H new ATOM 0 HA ILE A 119 6.960 -8.867 3.810 1.00 0.00 H new ATOM 0 HB ILE A 119 9.676 -7.602 3.292 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.487 -7.316 1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.318 -6.357 2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.591 -8.891 1.195 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.515 -9.945 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 119 8.037 -9.596 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.489 -5.101 1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.564 -5.393 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.736 -6.367 0.916 1.00 0.00 H new ATOM 1834 N SER A 120 9.397 -8.714 5.975 1.00 0.00 N ATOM 1835 CA SER A 120 10.219 -9.485 6.898 1.00 0.00 C ATOM 1836 C SER A 120 9.344 -10.335 7.809 1.00 0.00 C ATOM 1837 O SER A 120 9.721 -11.443 8.195 1.00 0.00 O ATOM 1838 CB SER A 120 11.099 -8.556 7.737 1.00 0.00 C ATOM 1839 OG SER A 120 12.290 -9.207 8.139 1.00 0.00 O ATOM 0 H SER A 120 9.437 -7.705 6.119 1.00 0.00 H new ATOM 0 HA SER A 120 10.861 -10.144 6.314 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.345 -7.664 7.160 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.548 -8.224 8.617 1.00 0.00 H new ATOM 0 HG SER A 120 12.835 -8.591 8.672 1.00 0.00 H new ATOM 1845 N HIS A 121 8.171 -9.811 8.145 1.00 0.00 N ATOM 1846 CA HIS A 121 7.234 -10.519 9.007 1.00 0.00 C ATOM 1847 C HIS A 121 6.650 -11.731 8.290 1.00 0.00 C ATOM 1848 O HIS A 121 6.254 -12.709 8.922 1.00 0.00 O ATOM 1849 CB HIS A 121 6.109 -9.584 9.454 1.00 0.00 C ATOM 1850 CG HIS A 121 6.514 -8.642 10.545 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.826 -8.453 10.927 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.772 -7.832 11.335 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.872 -7.567 11.906 1.00 0.00 C ATOM 1854 NE2 HIS A 121 6.640 -7.175 12.172 1.00 0.00 N ATOM 0 H HIS A 121 7.846 -8.896 7.832 1.00 0.00 H new ATOM 0 HA HIS A 121 7.777 -10.864 9.887 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.764 -9.007 8.596 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.264 -10.182 9.796 1.00 0.00 H new ATOM 0 HD2 HIS A 121 4.698 -7.723 11.312 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.766 -7.222 12.404 1.00 0.00 H new ATOM 0 HE2 HIS A 121 6.376 -6.494 12.884 1.00 0.00 H new ATOM 1863 N TYR A 122 6.607 -11.656 6.967 1.00 0.00 N ATOM 1864 CA TYR A 122 6.079 -12.741 6.155 1.00 0.00 C ATOM 1865 C TYR A 122 7.064 -13.905 6.098 1.00 0.00 C ATOM 1866 O TYR A 122 6.731 -15.032 6.467 1.00 0.00 O ATOM 1867 CB TYR A 122 5.769 -12.243 4.743 1.00 0.00 C ATOM 1868 CG TYR A 122 4.347 -12.516 4.305 1.00 0.00 C ATOM 1869 CD1 TYR A 122 3.797 -13.787 4.419 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.554 -11.502 3.781 1.00 0.00 C ATOM 1871 CE1 TYR A 122 2.497 -14.040 4.022 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.254 -11.747 3.382 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.731 -13.017 3.505 1.00 0.00 C ATOM 1874 OH TYR A 122 0.436 -13.265 3.108 1.00 0.00 O ATOM 0 H TYR A 122 6.933 -10.851 6.432 1.00 0.00 H new ATOM 0 HA TYR A 122 5.157 -13.095 6.616 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.956 -11.170 4.696 1.00 0.00 H new ATOM 0 HB3 TYR A 122 6.454 -12.717 4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 122 4.395 -14.590 4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.961 -10.506 3.684 1.00 0.00 H new ATOM 0 HE1 TYR A 122 2.084 -15.033 4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.651 -10.948 2.976 1.00 0.00 H new ATOM 0 HH TYR A 122 0.034 -12.438 2.768 1.00 0.00 H new ATOM 1884 N GLN A 123 8.279 -13.625 5.635 1.00 0.00 N ATOM 1885 CA GLN A 123 9.315 -14.642 5.528 1.00 0.00 C ATOM 1886 C GLN A 123 9.915 -14.957 6.897 1.00 0.00 C ATOM 1887 O GLN A 123 9.486 -14.411 7.914 1.00 0.00 O ATOM 1888 CB GLN A 123 10.412 -14.186 4.565 1.00 0.00 C ATOM 1889 CG GLN A 123 10.371 -14.889 3.217 1.00 0.00 C ATOM 1890 CD GLN A 123 10.583 -13.935 2.057 1.00 0.00 C ATOM 1891 OE1 GLN A 123 11.562 -14.043 1.320 1.00 0.00 O ATOM 1892 NE2 GLN A 123 9.662 -12.992 1.892 1.00 0.00 N ATOM 0 H GLN A 123 8.569 -12.697 5.327 1.00 0.00 H new ATOM 0 HA GLN A 123 8.857 -15.551 5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 123 10.322 -13.111 4.408 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.384 -14.360 5.026 1.00 0.00 H new ATOM 0 HG2 GLN A 123 11.138 -15.663 3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 123 9.409 -15.389 3.101 1.00 0.00 H new ATOM 0 HE21 GLN A 123 8.866 -12.940 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.751 -12.320 1.130 1.00 0.00 H new ATOM 1901 N GLU A 124 10.907 -15.841 6.913 1.00 0.00 N ATOM 1902 CA GLU A 124 11.566 -16.230 8.153 1.00 0.00 C ATOM 1903 C GLU A 124 13.082 -16.257 7.980 1.00 0.00 C ATOM 1904 O GLU A 124 13.810 -16.690 8.874 1.00 0.00 O ATOM 1905 CB GLU A 124 11.072 -17.604 8.608 1.00 0.00 C ATOM 1906 CG GLU A 124 9.561 -17.691 8.748 1.00 0.00 C ATOM 1907 CD GLU A 124 9.044 -19.109 8.619 1.00 0.00 C ATOM 1908 OE1 GLU A 124 9.761 -20.043 9.040 1.00 0.00 O ATOM 1909 OE2 GLU A 124 7.926 -19.288 8.094 1.00 0.00 O ATOM 0 H GLU A 124 11.272 -16.302 6.080 1.00 0.00 H new ATOM 0 HA GLU A 124 11.317 -15.490 8.913 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.406 -18.356 7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.532 -17.848 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.266 -17.287 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.093 -17.067 7.987 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.393 10.062 0.305 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.815 10.468 0.174 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.522 11.164 -0.174 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.086 9.775 1.733 1.00 0.00 F