USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 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 Set 1.1: A 84 HIS :FLIP no HD1:sc= -0.845 F(o=-2.6,f=-1.6) USER MOD Set 1.2: A 85 SER OG : rot 120:sc= -0.734 USER MOD Set 2.1: A 47 THR OG1 : rot -113:sc= 0.0535 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -7.55! C(o=-7.5!,f=-8.9!) USER MOD Set 3.1: A 70 LYS NZ :NH3+ -106:sc= -0.4 (180deg=-2.26!) USER MOD Set 3.2: A 95 GLN :FLIP amide:sc= -1.53! C(o=-4.1!,f=-1.9!) USER MOD Set 4.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 71 GLN :FLIP amide:sc= -0.477 F(o=-2.1,f=-0.48) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 1.24 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.196 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 13:sc= -7.61! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 71:sc= -1.57! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 37 ASN :FLIP amide:sc= -1.4! C(o=-5.5!,f=-1.4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 149:sc= -2.57 (180deg=-3.4!) USER MOD Single : A 53 SER OG : rot 150:sc= 0 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 68 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.63) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= -13.9! (180deg=-13.9!) USER MOD Single : A 82 THR OG1 : rot 158:sc= 0.0123 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -4.47! C(o=-5.1!,f=-4.5!) USER MOD Single : A 101 TYR OH : rot 11:sc= -3.73! USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= 0.719 (180deg=0.586) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= 0.134 K(o=0.13,f=-4.1!) USER MOD Single : A 122 TYR OH : rot -105:sc= 1.13 USER MOD Single : A 123 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.509 -15.278 -1.610 1.00 0.00 N ATOM 2 CA MET A 1 6.856 -16.379 -2.554 1.00 0.00 C ATOM 3 C MET A 1 7.062 -15.849 -3.971 1.00 0.00 C ATOM 4 O MET A 1 6.535 -16.403 -4.936 1.00 0.00 O ATOM 5 CB MET A 1 5.732 -17.419 -2.536 1.00 0.00 C ATOM 6 CG MET A 1 6.217 -18.842 -2.752 1.00 0.00 C ATOM 7 SD MET A 1 5.830 -19.463 -4.401 1.00 0.00 S ATOM 8 CE MET A 1 6.513 -21.116 -4.309 1.00 0.00 C ATOM 0 H1 MET A 1 6.392 -15.666 -0.652 1.00 0.00 H new ATOM 0 H2 MET A 1 7.272 -14.571 -1.606 1.00 0.00 H new ATOM 0 H3 MET A 1 5.621 -14.828 -1.912 1.00 0.00 H new ATOM 0 HA MET A 1 7.793 -16.837 -2.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.211 -17.363 -1.580 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.006 -17.170 -3.310 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.295 -18.882 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.763 -19.494 -2.006 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.352 -21.630 -5.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.582 -21.057 -4.105 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.021 -21.669 -3.509 1.00 0.00 H new ATOM 20 N GLN A 2 7.831 -14.772 -4.084 1.00 0.00 N ATOM 21 CA GLN A 2 8.109 -14.163 -5.378 1.00 0.00 C ATOM 22 C GLN A 2 9.360 -13.292 -5.304 1.00 0.00 C ATOM 23 O GLN A 2 10.033 -13.237 -4.275 1.00 0.00 O ATOM 24 CB GLN A 2 6.912 -13.324 -5.836 1.00 0.00 C ATOM 25 CG GLN A 2 6.318 -13.777 -7.161 1.00 0.00 C ATOM 26 CD GLN A 2 4.955 -14.425 -7.001 1.00 0.00 C ATOM 27 OE1 GLN A 2 4.455 -14.581 -5.887 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.345 -14.804 -8.119 1.00 0.00 N ATOM 0 H GLN A 2 8.273 -14.303 -3.294 1.00 0.00 H new ATOM 0 HA GLN A 2 8.282 -14.959 -6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.138 -13.362 -5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.222 -12.283 -5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.232 -12.919 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.998 -14.484 -7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.796 -14.655 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.426 -15.243 -8.075 1.00 0.00 H new ATOM 37 N ARG A 3 9.662 -12.609 -6.404 1.00 0.00 N ATOM 38 CA ARG A 3 10.826 -11.734 -6.468 1.00 0.00 C ATOM 39 C ARG A 3 10.674 -10.536 -5.533 1.00 0.00 C ATOM 40 O ARG A 3 11.623 -9.782 -5.318 1.00 0.00 O ATOM 41 CB ARG A 3 11.038 -11.242 -7.901 1.00 0.00 C ATOM 42 CG ARG A 3 9.803 -10.594 -8.509 1.00 0.00 C ATOM 43 CD ARG A 3 9.364 -11.295 -9.786 1.00 0.00 C ATOM 44 NE ARG A 3 7.979 -11.757 -9.705 1.00 0.00 N ATOM 45 CZ ARG A 3 7.149 -11.816 -10.745 1.00 0.00 C ATOM 46 NH1 ARG A 3 7.557 -11.452 -11.956 1.00 0.00 N ATOM 47 NH2 ARG A 3 5.906 -12.243 -10.575 1.00 0.00 N ATOM 0 H ARG A 3 9.115 -12.645 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 3 11.693 -12.311 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.858 -10.524 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.341 -12.083 -8.524 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.988 -10.615 -7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 3 10.012 -9.546 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.471 -10.613 -10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.020 -12.144 -9.978 1.00 0.00 H new ATOM 0 HE ARG A 3 7.626 -12.053 -8.795 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.513 -11.124 -12.095 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.914 -11.501 -12.747 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.586 -12.526 -9.649 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.269 -12.289 -11.370 1.00 0.00 H new ATOM 61 N GLY A 4 9.474 -10.358 -4.984 1.00 0.00 N ATOM 62 CA GLY A 4 9.230 -9.245 -4.091 1.00 0.00 C ATOM 63 C GLY A 4 8.784 -8.008 -4.838 1.00 0.00 C ATOM 64 O GLY A 4 9.598 -7.149 -5.176 1.00 0.00 O ATOM 0 H GLY A 4 8.670 -10.965 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.468 -9.524 -3.364 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.139 -9.023 -3.531 1.00 0.00 H new ATOM 68 N ILE A 5 7.487 -7.922 -5.106 1.00 0.00 N ATOM 69 CA ILE A 5 6.931 -6.786 -5.827 1.00 0.00 C ATOM 70 C ILE A 5 6.201 -5.842 -4.885 1.00 0.00 C ATOM 71 O ILE A 5 5.167 -6.193 -4.321 1.00 0.00 O ATOM 72 CB ILE A 5 5.948 -7.238 -6.922 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.535 -8.398 -7.728 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.595 -6.072 -7.834 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.059 -9.758 -7.263 1.00 0.00 C ATOM 0 H ILE A 5 6.801 -8.626 -4.834 1.00 0.00 H new ATOM 0 HA ILE A 5 7.772 -6.269 -6.288 1.00 0.00 H new ATOM 0 HB ILE A 5 5.034 -7.587 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.273 -8.270 -8.778 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.622 -8.361 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.899 -6.409 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.132 -5.279 -7.247 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.501 -5.692 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.515 -10.533 -7.879 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.345 -9.907 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.974 -9.814 -7.353 1.00 0.00 H new ATOM 87 N VAL A 6 6.741 -4.642 -4.723 1.00 0.00 N ATOM 88 CA VAL A 6 6.128 -3.646 -3.857 1.00 0.00 C ATOM 89 C VAL A 6 5.459 -2.550 -4.685 1.00 0.00 C ATOM 90 O VAL A 6 6.068 -1.989 -5.591 1.00 0.00 O ATOM 91 CB VAL A 6 7.158 -3.006 -2.906 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.377 -2.519 -3.676 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.510 -1.876 -2.129 1.00 0.00 C ATOM 0 H VAL A 6 7.600 -4.336 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 6 5.378 -4.162 -3.258 1.00 0.00 H new ATOM 0 HB VAL A 6 7.500 -3.760 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.090 -2.071 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.846 -3.361 -4.185 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.070 -1.776 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.243 -1.428 -1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.144 -1.120 -2.824 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.676 -2.267 -1.546 1.00 0.00 H new ATOM 103 N TRP A 7 4.203 -2.252 -4.373 1.00 0.00 N ATOM 104 CA TRP A 7 3.461 -1.223 -5.099 1.00 0.00 C ATOM 105 C TRP A 7 3.065 -0.078 -4.160 1.00 0.00 C ATOM 106 O TRP A 7 2.747 -0.307 -2.993 1.00 0.00 O ATOM 107 CB TRP A 7 2.229 -1.847 -5.766 1.00 0.00 C ATOM 108 CG TRP A 7 2.561 -2.663 -6.985 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.804 -3.020 -7.422 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.635 -3.230 -7.919 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.711 -3.757 -8.574 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.389 -3.905 -8.899 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.243 -3.231 -8.025 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.797 -4.571 -9.967 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.344 -3.893 -9.086 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.432 -4.556 -10.045 1.00 0.00 C ATOM 0 H TRP A 7 3.677 -2.705 -3.626 1.00 0.00 H new ATOM 0 HA TRP A 7 4.100 -0.804 -5.876 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.715 -2.480 -5.043 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.535 -1.054 -6.046 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.729 -2.759 -6.930 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.498 -4.134 -9.103 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.364 -2.723 -7.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.394 -5.082 -10.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.420 -3.899 -9.178 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.057 -5.065 -10.862 1.00 0.00 H new ATOM 127 N VAL A 8 3.122 1.157 -4.665 1.00 0.00 N ATOM 128 CA VAL A 8 2.803 2.340 -3.855 1.00 0.00 C ATOM 129 C VAL A 8 1.891 3.314 -4.597 1.00 0.00 C ATOM 130 O VAL A 8 2.144 3.651 -5.750 1.00 0.00 O ATOM 131 CB VAL A 8 4.083 3.122 -3.469 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.938 3.788 -2.109 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.314 2.226 -3.510 1.00 0.00 C ATOM 0 H VAL A 8 3.385 1.366 -5.628 1.00 0.00 H new ATOM 0 HA VAL A 8 2.300 1.960 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 8 4.219 3.909 -4.211 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.854 4.328 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.101 4.486 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.755 3.028 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.195 2.805 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.187 1.402 -2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.442 1.829 -4.517 1.00 0.00 H new ATOM 143 N VAL A 9 0.849 3.793 -3.928 1.00 0.00 N ATOM 144 CA VAL A 9 -0.056 4.758 -4.548 1.00 0.00 C ATOM 145 C VAL A 9 -0.042 6.084 -3.793 1.00 0.00 C ATOM 146 O VAL A 9 -0.555 6.176 -2.680 1.00 0.00 O ATOM 147 CB VAL A 9 -1.517 4.252 -4.650 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.025 4.419 -6.072 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.645 2.803 -4.211 1.00 0.00 C ATOM 0 H VAL A 9 0.610 3.535 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 9 0.318 4.898 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.126 4.853 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.053 4.061 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.990 5.472 -6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.398 3.843 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.685 2.487 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.021 2.174 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.322 2.707 -3.174 1.00 0.00 H new ATOM 159 N ASP A 10 0.552 7.105 -4.418 1.00 0.00 N ATOM 160 CA ASP A 10 0.647 8.448 -3.835 1.00 0.00 C ATOM 161 C ASP A 10 1.643 9.294 -4.619 1.00 0.00 C ATOM 162 O ASP A 10 2.817 8.943 -4.724 1.00 0.00 O ATOM 163 CB ASP A 10 1.075 8.392 -2.365 1.00 0.00 C ATOM 164 CG ASP A 10 1.027 9.752 -1.689 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.325 10.761 -2.361 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.695 9.807 -0.483 1.00 0.00 O ATOM 0 H ASP A 10 0.980 7.025 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.343 8.901 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.426 7.701 -1.828 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.088 7.994 -2.300 1.00 0.00 H new ATOM 171 N ASP A 11 1.168 10.405 -5.175 1.00 0.00 N ATOM 172 CA ASP A 11 2.012 11.306 -5.960 1.00 0.00 C ATOM 173 C ASP A 11 2.415 10.667 -7.285 1.00 0.00 C ATOM 174 O ASP A 11 2.362 11.309 -8.334 1.00 0.00 O ATOM 175 CB ASP A 11 3.262 11.706 -5.173 1.00 0.00 C ATOM 176 CG ASP A 11 3.623 13.167 -5.364 1.00 0.00 C ATOM 177 OD1 ASP A 11 3.848 13.576 -6.523 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.678 13.902 -4.356 1.00 0.00 O ATOM 0 H ASP A 11 0.197 10.706 -5.096 1.00 0.00 H new ATOM 0 HA ASP A 11 1.428 12.202 -6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.099 11.511 -4.113 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.100 11.084 -5.487 1.00 0.00 H new ATOM 183 N ASP A 12 2.826 9.404 -7.230 1.00 0.00 N ATOM 184 CA ASP A 12 3.245 8.679 -8.417 1.00 0.00 C ATOM 185 C ASP A 12 4.634 9.143 -8.862 1.00 0.00 C ATOM 186 O ASP A 12 5.640 8.706 -8.304 1.00 0.00 O ATOM 187 CB ASP A 12 2.207 8.838 -9.540 1.00 0.00 C ATOM 188 CG ASP A 12 2.406 7.836 -10.661 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.082 6.813 -10.429 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.884 8.077 -11.770 1.00 0.00 O ATOM 0 H ASP A 12 2.877 8.861 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 12 3.311 7.618 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.206 8.720 -9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.267 9.848 -9.945 1.00 0.00 H new ATOM 195 N SER A 13 4.685 10.034 -9.853 1.00 0.00 N ATOM 196 CA SER A 13 5.938 10.570 -10.378 1.00 0.00 C ATOM 197 C SER A 13 7.077 10.561 -9.356 1.00 0.00 C ATOM 198 O SER A 13 7.867 9.620 -9.300 1.00 0.00 O ATOM 199 CB SER A 13 5.695 11.989 -10.883 1.00 0.00 C ATOM 200 OG SER A 13 4.900 12.723 -9.966 1.00 0.00 O ATOM 0 H SER A 13 3.854 10.405 -10.315 1.00 0.00 H new ATOM 0 HA SER A 13 6.257 9.919 -11.192 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.649 12.495 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.200 11.954 -11.853 1.00 0.00 H new ATOM 0 HG SER A 13 4.758 13.630 -10.309 1.00 0.00 H new ATOM 206 N SER A 14 7.168 11.625 -8.575 1.00 0.00 N ATOM 207 CA SER A 14 8.222 11.763 -7.578 1.00 0.00 C ATOM 208 C SER A 14 8.275 10.583 -6.610 1.00 0.00 C ATOM 209 O SER A 14 9.358 10.149 -6.226 1.00 0.00 O ATOM 210 CB SER A 14 8.044 13.066 -6.799 1.00 0.00 C ATOM 211 OG SER A 14 8.384 14.188 -7.597 1.00 0.00 O ATOM 0 H SER A 14 6.520 12.412 -8.612 1.00 0.00 H new ATOM 0 HA SER A 14 9.169 11.781 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.011 13.154 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.669 13.048 -5.906 1.00 0.00 H new ATOM 0 HG SER A 14 8.260 15.009 -7.077 1.00 0.00 H new ATOM 217 N ILE A 15 7.116 10.071 -6.204 1.00 0.00 N ATOM 218 CA ILE A 15 7.080 8.956 -5.264 1.00 0.00 C ATOM 219 C ILE A 15 7.611 7.667 -5.897 1.00 0.00 C ATOM 220 O ILE A 15 8.015 6.743 -5.192 1.00 0.00 O ATOM 221 CB ILE A 15 5.661 8.745 -4.673 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.330 9.885 -3.705 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.559 7.403 -3.953 1.00 0.00 C ATOM 224 CD1 ILE A 15 6.175 9.881 -2.447 1.00 0.00 C ATOM 0 H ILE A 15 6.201 10.405 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 15 7.742 9.216 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 15 4.944 8.744 -5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.464 10.837 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.278 9.819 -3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.554 7.282 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.767 6.596 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.283 7.371 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.884 10.716 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.023 8.945 -1.910 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.227 9.979 -2.715 1.00 0.00 H new ATOM 236 N ARG A 16 7.616 7.614 -7.223 1.00 0.00 N ATOM 237 CA ARG A 16 8.107 6.440 -7.940 1.00 0.00 C ATOM 238 C ARG A 16 9.631 6.367 -7.903 1.00 0.00 C ATOM 239 O ARG A 16 10.204 5.383 -7.439 1.00 0.00 O ATOM 240 CB ARG A 16 7.634 6.470 -9.395 1.00 0.00 C ATOM 241 CG ARG A 16 7.670 5.107 -10.072 1.00 0.00 C ATOM 242 CD ARG A 16 7.572 5.229 -11.585 1.00 0.00 C ATOM 243 NE ARG A 16 8.842 4.917 -12.242 1.00 0.00 N ATOM 244 CZ ARG A 16 8.978 4.026 -13.227 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.930 3.348 -13.679 1.00 0.00 N ATOM 246 NH2 ARG A 16 10.173 3.813 -13.763 1.00 0.00 N ATOM 0 H ARG A 16 7.286 8.369 -7.825 1.00 0.00 H new ATOM 0 HA ARG A 16 7.705 5.557 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.616 6.858 -9.430 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.259 7.163 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.594 4.593 -9.807 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.848 4.495 -9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.798 4.556 -11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.266 6.242 -11.848 1.00 0.00 H new ATOM 0 HE ARG A 16 9.677 5.412 -11.927 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.007 3.505 -13.273 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.047 2.670 -14.432 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.984 4.329 -13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.280 3.133 -14.516 1.00 0.00 H new ATOM 260 N TRP A 17 10.279 7.409 -8.414 1.00 0.00 N ATOM 261 CA TRP A 17 11.739 7.462 -8.463 1.00 0.00 C ATOM 262 C TRP A 17 12.374 7.133 -7.116 1.00 0.00 C ATOM 263 O TRP A 17 13.380 6.425 -7.055 1.00 0.00 O ATOM 264 CB TRP A 17 12.210 8.841 -8.925 1.00 0.00 C ATOM 265 CG TRP A 17 13.684 8.898 -9.188 1.00 0.00 C ATOM 266 CD1 TRP A 17 14.342 8.385 -10.269 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.684 9.496 -8.355 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.690 8.628 -10.159 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.924 9.308 -8.994 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.651 10.172 -7.132 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.120 9.772 -8.450 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.839 10.631 -6.593 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.058 10.429 -7.253 1.00 0.00 C ATOM 0 H TRP A 17 9.816 8.231 -8.801 1.00 0.00 H new ATOM 0 HA TRP A 17 12.059 6.705 -9.179 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.674 9.117 -9.833 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.953 9.580 -8.166 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.872 7.864 -11.090 1.00 0.00 H new ATOM 0 HE1 TRP A 17 16.400 8.348 -10.835 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.715 10.333 -6.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.062 9.618 -8.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.827 11.154 -5.648 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.968 10.800 -6.806 1.00 0.00 H new ATOM 284 N VAL A 18 11.803 7.657 -6.039 1.00 0.00 N ATOM 285 CA VAL A 18 12.353 7.410 -4.714 1.00 0.00 C ATOM 286 C VAL A 18 12.139 5.970 -4.275 1.00 0.00 C ATOM 287 O VAL A 18 13.094 5.233 -4.029 1.00 0.00 O ATOM 288 CB VAL A 18 11.759 8.349 -3.636 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.748 8.540 -2.501 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.368 9.696 -4.222 1.00 0.00 C ATOM 0 H VAL A 18 10.971 8.247 -6.056 1.00 0.00 H new ATOM 0 HA VAL A 18 13.420 7.612 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 18 10.856 7.878 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.317 9.202 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.972 7.575 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.667 8.980 -2.889 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.955 10.329 -3.436 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.248 10.176 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.620 9.550 -5.001 1.00 0.00 H new ATOM 300 N LEU A 19 10.882 5.586 -4.155 1.00 0.00 N ATOM 301 CA LEU A 19 10.522 4.239 -3.711 1.00 0.00 C ATOM 302 C LEU A 19 10.991 3.157 -4.683 1.00 0.00 C ATOM 303 O LEU A 19 11.221 2.016 -4.279 1.00 0.00 O ATOM 304 CB LEU A 19 9.007 4.135 -3.498 1.00 0.00 C ATOM 305 CG LEU A 19 8.505 4.569 -2.120 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.242 3.823 -1.016 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.650 6.073 -1.951 1.00 0.00 C ATOM 0 H LEU A 19 10.084 6.187 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 19 11.036 4.068 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.509 4.741 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.704 3.102 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 19 7.447 4.318 -2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.868 4.148 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.077 2.751 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.309 4.035 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.288 6.365 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.699 6.351 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.066 6.583 -2.717 1.00 0.00 H new ATOM 319 N GLU A 20 11.120 3.501 -5.958 1.00 0.00 N ATOM 320 CA GLU A 20 11.544 2.524 -6.962 1.00 0.00 C ATOM 321 C GLU A 20 12.987 2.073 -6.760 1.00 0.00 C ATOM 322 O GLU A 20 13.244 0.888 -6.556 1.00 0.00 O ATOM 323 CB GLU A 20 11.336 3.054 -8.390 1.00 0.00 C ATOM 324 CG GLU A 20 12.324 4.112 -8.853 1.00 0.00 C ATOM 325 CD GLU A 20 12.012 4.616 -10.249 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.819 4.830 -10.549 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.961 4.797 -11.041 1.00 0.00 O ATOM 0 H GLU A 20 10.940 4.437 -6.322 1.00 0.00 H new ATOM 0 HA GLU A 20 10.908 1.649 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.384 2.212 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.330 3.467 -8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.311 4.949 -8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.332 3.698 -8.835 1.00 0.00 H new ATOM 334 N ARG A 21 13.920 3.008 -6.836 1.00 0.00 N ATOM 335 CA ARG A 21 15.339 2.691 -6.682 1.00 0.00 C ATOM 336 C ARG A 21 15.678 2.244 -5.261 1.00 0.00 C ATOM 337 O ARG A 21 16.224 1.159 -5.060 1.00 0.00 O ATOM 338 CB ARG A 21 16.200 3.897 -7.067 1.00 0.00 C ATOM 339 CG ARG A 21 16.048 4.321 -8.522 1.00 0.00 C ATOM 340 CD ARG A 21 17.322 4.081 -9.317 1.00 0.00 C ATOM 341 NE ARG A 21 18.361 5.062 -9.002 1.00 0.00 N ATOM 342 CZ ARG A 21 19.240 5.531 -9.888 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.221 5.109 -11.148 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.146 6.423 -9.512 1.00 0.00 N ATOM 0 H ARG A 21 13.725 3.995 -7.003 1.00 0.00 H new ATOM 0 HA ARG A 21 15.557 1.859 -7.352 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.939 4.738 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.247 3.661 -6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.226 3.769 -8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.785 5.378 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.695 3.078 -9.108 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.097 4.122 -10.383 1.00 0.00 H new ATOM 0 HE ARG A 21 18.416 5.409 -8.044 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.530 4.420 -11.445 1.00 0.00 H new ATOM 0 HH12 ARG A 21 19.898 5.474 -11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.170 6.750 -8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 21 20.819 6.783 -10.189 1.00 0.00 H new ATOM 358 N ALA A 22 15.375 3.084 -4.275 1.00 0.00 N ATOM 359 CA ALA A 22 15.673 2.756 -2.882 1.00 0.00 C ATOM 360 C ALA A 22 15.187 1.365 -2.516 1.00 0.00 C ATOM 361 O ALA A 22 15.974 0.501 -2.131 1.00 0.00 O ATOM 362 CB ALA A 22 15.076 3.797 -1.947 1.00 0.00 C ATOM 0 H ALA A 22 14.927 3.990 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 22 16.757 2.765 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.309 3.535 -0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.496 4.776 -2.177 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.994 3.827 -2.079 1.00 0.00 H new ATOM 368 N LEU A 23 13.891 1.150 -2.650 1.00 0.00 N ATOM 369 CA LEU A 23 13.309 -0.149 -2.342 1.00 0.00 C ATOM 370 C LEU A 23 13.905 -1.220 -3.254 1.00 0.00 C ATOM 371 O LEU A 23 13.893 -2.410 -2.926 1.00 0.00 O ATOM 372 CB LEU A 23 11.779 -0.109 -2.469 1.00 0.00 C ATOM 373 CG LEU A 23 11.023 -1.227 -1.733 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.706 -1.591 -0.423 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.584 -0.823 -1.467 1.00 0.00 C ATOM 0 H LEU A 23 13.223 1.852 -2.968 1.00 0.00 H new ATOM 0 HA LEU A 23 13.548 -0.401 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.426 0.852 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.519 -0.154 -3.526 1.00 0.00 H new ATOM 0 HG LEU A 23 11.031 -2.104 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.145 -2.384 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.720 -1.935 -0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.742 -0.715 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.070 -1.630 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.566 0.076 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.081 -0.624 -2.413 1.00 0.00 H new ATOM 387 N ALA A 24 14.458 -0.785 -4.386 1.00 0.00 N ATOM 388 CA ALA A 24 15.092 -1.704 -5.315 1.00 0.00 C ATOM 389 C ALA A 24 16.332 -2.294 -4.665 1.00 0.00 C ATOM 390 O ALA A 24 16.627 -3.479 -4.817 1.00 0.00 O ATOM 391 CB ALA A 24 15.451 -1.000 -6.617 1.00 0.00 C ATOM 0 H ALA A 24 14.477 0.193 -4.676 1.00 0.00 H new ATOM 0 HA ALA A 24 14.394 -2.506 -5.556 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.924 -1.709 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.546 -0.605 -7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.140 -0.181 -6.410 1.00 0.00 H new ATOM 397 N GLY A 25 17.047 -1.455 -3.916 1.00 0.00 N ATOM 398 CA GLY A 25 18.237 -1.911 -3.229 1.00 0.00 C ATOM 399 C GLY A 25 17.917 -2.994 -2.219 1.00 0.00 C ATOM 400 O GLY A 25 18.776 -3.808 -1.878 1.00 0.00 O ATOM 0 H GLY A 25 16.821 -0.470 -3.775 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.954 -2.291 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.711 -1.070 -2.723 1.00 0.00 H new ATOM 404 N ALA A 26 16.673 -3.008 -1.744 1.00 0.00 N ATOM 405 CA ALA A 26 16.238 -4.001 -0.777 1.00 0.00 C ATOM 406 C ALA A 26 15.961 -5.341 -1.455 1.00 0.00 C ATOM 407 O ALA A 26 15.879 -6.375 -0.792 1.00 0.00 O ATOM 408 CB ALA A 26 15.000 -3.512 -0.039 1.00 0.00 C ATOM 0 H ALA A 26 15.952 -2.340 -2.016 1.00 0.00 H new ATOM 0 HA ALA A 26 17.041 -4.148 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.685 -4.266 0.682 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.231 -2.584 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.196 -3.336 -0.754 1.00 0.00 H new ATOM 414 N GLY A 27 15.837 -5.321 -2.781 1.00 0.00 N ATOM 415 CA GLY A 27 15.594 -6.544 -3.524 1.00 0.00 C ATOM 416 C GLY A 27 14.150 -6.718 -3.961 1.00 0.00 C ATOM 417 O GLY A 27 13.697 -7.845 -4.160 1.00 0.00 O ATOM 0 H GLY A 27 15.901 -4.479 -3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.235 -6.556 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.883 -7.396 -2.908 1.00 0.00 H new ATOM 421 N LEU A 28 13.417 -5.616 -4.116 1.00 0.00 N ATOM 422 CA LEU A 28 12.025 -5.694 -4.537 1.00 0.00 C ATOM 423 C LEU A 28 11.739 -4.759 -5.709 1.00 0.00 C ATOM 424 O LEU A 28 12.566 -3.922 -6.070 1.00 0.00 O ATOM 425 CB LEU A 28 11.084 -5.360 -3.378 1.00 0.00 C ATOM 426 CG LEU A 28 11.675 -5.531 -1.982 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.332 -4.255 -1.535 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.597 -5.962 -1.001 1.00 0.00 C ATOM 0 H LEU A 28 13.762 -4.669 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 28 11.847 -6.720 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.751 -4.328 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.199 -5.991 -3.458 1.00 0.00 H new ATOM 0 HG LEU A 28 12.435 -6.312 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.750 -4.391 -0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.130 -3.994 -2.230 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.593 -3.454 -1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.034 -6.080 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.814 -5.205 -0.965 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.169 -6.911 -1.324 1.00 0.00 H new ATOM 440 N THR A 29 10.549 -4.903 -6.285 1.00 0.00 N ATOM 441 CA THR A 29 10.130 -4.068 -7.405 1.00 0.00 C ATOM 442 C THR A 29 9.074 -3.067 -6.946 1.00 0.00 C ATOM 443 O THR A 29 7.924 -3.437 -6.712 1.00 0.00 O ATOM 444 CB THR A 29 9.567 -4.934 -8.537 1.00 0.00 C ATOM 445 OG1 THR A 29 10.568 -5.785 -9.070 1.00 0.00 O ATOM 446 CG2 THR A 29 8.993 -4.127 -9.681 1.00 0.00 C ATOM 0 H THR A 29 9.856 -5.592 -5.993 1.00 0.00 H new ATOM 0 HA THR A 29 10.999 -3.526 -7.777 1.00 0.00 H new ATOM 0 HB THR A 29 8.763 -5.511 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.185 -6.329 -9.790 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.612 -4.802 -10.447 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.180 -3.501 -9.313 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.772 -3.496 -10.108 1.00 0.00 H new ATOM 454 N CYS A 30 9.469 -1.803 -6.807 1.00 0.00 N ATOM 455 CA CYS A 30 8.545 -0.767 -6.359 1.00 0.00 C ATOM 456 C CYS A 30 7.988 0.045 -7.519 1.00 0.00 C ATOM 457 O CYS A 30 8.724 0.731 -8.228 1.00 0.00 O ATOM 458 CB CYS A 30 9.216 0.166 -5.361 1.00 0.00 C ATOM 459 SG CYS A 30 8.055 0.900 -4.190 1.00 0.00 S ATOM 0 H CYS A 30 10.416 -1.475 -6.997 1.00 0.00 H new ATOM 0 HA CYS A 30 7.714 -1.279 -5.874 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.978 -0.387 -4.811 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.728 0.961 -5.903 1.00 0.00 H new ATOM 0 HG CYS A 30 6.916 0.277 -4.260 1.00 0.00 H new ATOM 465 N THR A 31 6.673 -0.018 -7.683 1.00 0.00 N ATOM 466 CA THR A 31 5.992 0.730 -8.727 1.00 0.00 C ATOM 467 C THR A 31 4.995 1.675 -8.070 1.00 0.00 C ATOM 468 O THR A 31 4.582 1.441 -6.934 1.00 0.00 O ATOM 469 CB THR A 31 5.281 -0.212 -9.706 1.00 0.00 C ATOM 470 OG1 THR A 31 5.050 0.444 -10.943 1.00 0.00 O ATOM 471 CG2 THR A 31 3.942 -0.702 -9.201 1.00 0.00 C ATOM 0 H THR A 31 6.055 -0.584 -7.101 1.00 0.00 H new ATOM 0 HA THR A 31 6.722 1.301 -9.301 1.00 0.00 H new ATOM 0 HB THR A 31 5.946 -1.068 -9.820 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.597 -0.169 -11.559 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.494 -1.364 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.082 -1.246 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.284 0.150 -9.030 1.00 0.00 H new ATOM 479 N THR A 32 4.621 2.750 -8.749 1.00 0.00 N ATOM 480 CA THR A 32 3.690 3.700 -8.154 1.00 0.00 C ATOM 481 C THR A 32 2.557 4.097 -9.097 1.00 0.00 C ATOM 482 O THR A 32 2.699 4.072 -10.320 1.00 0.00 O ATOM 483 CB THR A 32 4.450 4.931 -7.673 1.00 0.00 C ATOM 484 OG1 THR A 32 5.020 5.622 -8.769 1.00 0.00 O ATOM 485 CG2 THR A 32 5.570 4.593 -6.708 1.00 0.00 C ATOM 0 H THR A 32 4.938 2.984 -9.690 1.00 0.00 H new ATOM 0 HA THR A 32 3.218 3.204 -7.306 1.00 0.00 H new ATOM 0 HB THR A 32 3.717 5.550 -7.156 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.310 6.055 -9.288 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.074 5.509 -6.401 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.157 4.095 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.285 3.932 -7.198 1.00 0.00 H new ATOM 493 N PHE A 33 1.425 4.457 -8.494 1.00 0.00 N ATOM 494 CA PHE A 33 0.231 4.862 -9.226 1.00 0.00 C ATOM 495 C PHE A 33 -0.299 6.191 -8.700 1.00 0.00 C ATOM 496 O PHE A 33 0.217 6.743 -7.725 1.00 0.00 O ATOM 497 CB PHE A 33 -0.876 3.808 -9.148 1.00 0.00 C ATOM 498 CG PHE A 33 -0.426 2.399 -9.422 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.579 1.810 -8.670 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.022 1.661 -10.430 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.977 0.511 -8.923 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.629 0.364 -10.686 1.00 0.00 C ATOM 503 CZ PHE A 33 0.372 -0.213 -9.933 1.00 0.00 C ATOM 0 H PHE A 33 1.312 4.475 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 33 0.524 4.972 -10.270 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.324 3.845 -8.155 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.658 4.070 -9.860 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.055 2.371 -7.880 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.806 2.107 -11.024 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.761 0.062 -8.331 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.105 -0.199 -11.475 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.682 -1.228 -10.132 1.00 0.00 H new ATOM 513 N GLU A 34 -1.316 6.708 -9.376 1.00 0.00 N ATOM 514 CA GLU A 34 -1.922 7.984 -9.027 1.00 0.00 C ATOM 515 C GLU A 34 -2.455 8.008 -7.581 1.00 0.00 C ATOM 516 O GLU A 34 -1.671 8.061 -6.633 1.00 0.00 O ATOM 517 CB GLU A 34 -3.050 8.265 -10.026 1.00 0.00 C ATOM 518 CG GLU A 34 -3.958 7.060 -10.260 1.00 0.00 C ATOM 519 CD GLU A 34 -5.434 7.381 -10.122 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.833 8.515 -10.460 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.191 6.491 -9.669 1.00 0.00 O ATOM 0 H GLU A 34 -1.744 6.253 -10.183 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.160 8.761 -9.080 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.650 9.099 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.616 8.575 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.772 6.663 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.697 6.275 -9.551 1.00 0.00 H new ATOM 528 N ASN A 35 -3.778 7.997 -7.412 1.00 0.00 N ATOM 529 CA ASN A 35 -4.386 8.050 -6.087 1.00 0.00 C ATOM 530 C ASN A 35 -4.354 6.700 -5.394 1.00 0.00 C ATOM 531 O ASN A 35 -3.651 6.511 -4.402 1.00 0.00 O ATOM 532 CB ASN A 35 -5.830 8.552 -6.189 1.00 0.00 C ATOM 533 CG ASN A 35 -5.940 9.827 -7.002 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.078 10.703 -6.925 1.00 0.00 O ATOM 535 ND2 ASN A 35 -7.005 9.940 -7.789 1.00 0.00 N ATOM 0 H ASN A 35 -4.448 7.952 -8.180 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.800 8.745 -5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.450 7.779 -6.644 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.223 8.727 -5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.132 10.776 -8.359 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.696 9.190 -7.823 1.00 0.00 H new ATOM 542 N GLY A 36 -5.124 5.769 -5.921 1.00 0.00 N ATOM 543 CA GLY A 36 -5.181 4.443 -5.339 1.00 0.00 C ATOM 544 C GLY A 36 -5.960 3.458 -6.184 1.00 0.00 C ATOM 545 O GLY A 36 -5.640 2.271 -6.214 1.00 0.00 O ATOM 0 H GLY A 36 -5.713 5.903 -6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.166 4.070 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.637 4.505 -4.351 1.00 0.00 H new ATOM 549 N ASN A 37 -6.993 3.943 -6.864 1.00 0.00 N ATOM 550 CA ASN A 37 -7.816 3.081 -7.696 1.00 0.00 C ATOM 551 C ASN A 37 -6.991 2.468 -8.818 1.00 0.00 C ATOM 552 O ASN A 37 -7.260 1.350 -9.257 1.00 0.00 O ATOM 553 CB ASN A 37 -9.011 3.851 -8.259 1.00 0.00 C ATOM 554 CG ASN A 37 -10.186 3.857 -7.296 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.603 2.671 -6.863 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.710 4.914 -6.945 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.277 4.923 -6.854 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.197 2.271 -7.074 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.713 4.877 -8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.319 3.403 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.357 5.802 -7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.497 4.902 -6.296 1.00 0.00 H new ATOM 563 N GLU A 38 -5.974 3.194 -9.274 1.00 0.00 N ATOM 564 CA GLU A 38 -5.111 2.696 -10.336 1.00 0.00 C ATOM 565 C GLU A 38 -4.538 1.325 -9.974 1.00 0.00 C ATOM 566 O GLU A 38 -4.657 0.376 -10.748 1.00 0.00 O ATOM 567 CB GLU A 38 -3.979 3.679 -10.613 1.00 0.00 C ATOM 568 CG GLU A 38 -3.771 3.970 -12.091 1.00 0.00 C ATOM 569 CD GLU A 38 -2.326 4.283 -12.426 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.923 5.456 -12.278 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.596 3.357 -12.838 1.00 0.00 O ATOM 0 H GLU A 38 -5.730 4.122 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.714 2.592 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.186 4.614 -10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.054 3.281 -10.196 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.098 3.110 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.398 4.812 -12.384 1.00 0.00 H new ATOM 578 N VAL A 39 -3.921 1.216 -8.793 1.00 0.00 N ATOM 579 CA VAL A 39 -3.353 -0.059 -8.356 1.00 0.00 C ATOM 580 C VAL A 39 -4.408 -1.157 -8.393 1.00 0.00 C ATOM 581 O VAL A 39 -4.168 -2.250 -8.902 1.00 0.00 O ATOM 582 CB VAL A 39 -2.787 0.025 -6.926 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.204 -1.313 -6.496 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.733 1.104 -6.838 1.00 0.00 C ATOM 0 H VAL A 39 -3.804 1.984 -8.132 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.541 -0.293 -9.045 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.605 0.277 -6.252 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.810 -1.230 -5.483 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.984 -2.074 -6.521 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.400 -1.595 -7.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.343 1.150 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.920 0.876 -7.528 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.174 2.065 -7.102 1.00 0.00 H new ATOM 594 N LEU A 40 -5.577 -0.848 -7.846 1.00 0.00 N ATOM 595 CA LEU A 40 -6.686 -1.792 -7.803 1.00 0.00 C ATOM 596 C LEU A 40 -6.957 -2.385 -9.183 1.00 0.00 C ATOM 597 O LEU A 40 -7.176 -3.588 -9.321 1.00 0.00 O ATOM 598 CB LEU A 40 -7.941 -1.095 -7.273 1.00 0.00 C ATOM 599 CG LEU A 40 -7.726 -0.234 -6.022 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.037 0.388 -5.559 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.107 -1.062 -4.906 1.00 0.00 C ATOM 0 H LEU A 40 -5.782 0.057 -7.423 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.416 -2.608 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.349 -0.465 -8.063 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.692 -1.853 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.039 0.572 -6.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.859 0.994 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.441 1.017 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.751 -0.401 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.961 -0.435 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.771 -1.890 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.145 -1.455 -5.235 1.00 0.00 H new ATOM 613 N ALA A 41 -6.933 -1.533 -10.201 1.00 0.00 N ATOM 614 CA ALA A 41 -7.169 -1.976 -11.569 1.00 0.00 C ATOM 615 C ALA A 41 -6.031 -2.857 -12.052 1.00 0.00 C ATOM 616 O ALA A 41 -6.248 -3.933 -12.609 1.00 0.00 O ATOM 617 CB ALA A 41 -7.339 -0.780 -12.492 1.00 0.00 C ATOM 0 H ALA A 41 -6.753 -0.534 -10.105 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.088 -2.562 -11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.514 -1.128 -13.510 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.189 -0.183 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.436 -0.170 -12.468 1.00 0.00 H new ATOM 623 N ALA A 42 -4.816 -2.385 -11.825 1.00 0.00 N ATOM 624 CA ALA A 42 -3.617 -3.114 -12.221 1.00 0.00 C ATOM 625 C ALA A 42 -3.526 -4.435 -11.474 1.00 0.00 C ATOM 626 O ALA A 42 -3.008 -5.424 -11.991 1.00 0.00 O ATOM 627 CB ALA A 42 -2.374 -2.273 -11.960 1.00 0.00 C ATOM 0 H ALA A 42 -4.631 -1.494 -11.365 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.678 -3.323 -13.289 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.487 -2.831 -12.261 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.433 -1.348 -12.534 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.311 -2.037 -10.898 1.00 0.00 H new ATOM 633 N LEU A 43 -4.037 -4.438 -10.250 1.00 0.00 N ATOM 634 CA LEU A 43 -4.021 -5.627 -9.415 1.00 0.00 C ATOM 635 C LEU A 43 -4.811 -6.761 -10.059 1.00 0.00 C ATOM 636 O LEU A 43 -4.547 -7.937 -9.805 1.00 0.00 O ATOM 637 CB LEU A 43 -4.598 -5.304 -8.037 1.00 0.00 C ATOM 638 CG LEU A 43 -3.579 -4.855 -6.995 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.284 -4.276 -5.778 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.701 -6.027 -6.596 1.00 0.00 C ATOM 0 H LEU A 43 -4.470 -3.624 -9.813 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.987 -5.953 -9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.348 -4.521 -8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.114 -6.188 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.951 -4.076 -7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.543 -3.960 -5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.884 -3.418 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.931 -5.034 -5.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.975 -5.701 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.321 -6.819 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.176 -6.404 -7.474 1.00 0.00 H new ATOM 652 N ALA A 44 -5.776 -6.402 -10.892 1.00 0.00 N ATOM 653 CA ALA A 44 -6.603 -7.388 -11.574 1.00 0.00 C ATOM 654 C ALA A 44 -5.767 -8.267 -12.502 1.00 0.00 C ATOM 655 O ALA A 44 -6.206 -9.340 -12.914 1.00 0.00 O ATOM 656 CB ALA A 44 -7.710 -6.695 -12.354 1.00 0.00 C ATOM 0 H ALA A 44 -6.007 -5.433 -11.113 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.052 -8.033 -10.819 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.322 -7.442 -12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.333 -6.120 -11.669 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.270 -6.026 -13.093 1.00 0.00 H new ATOM 662 N SER A 45 -4.562 -7.805 -12.827 1.00 0.00 N ATOM 663 CA SER A 45 -3.672 -8.546 -13.703 1.00 0.00 C ATOM 664 C SER A 45 -2.391 -8.971 -12.981 1.00 0.00 C ATOM 665 O SER A 45 -1.576 -9.706 -13.539 1.00 0.00 O ATOM 666 CB SER A 45 -3.325 -7.709 -14.936 1.00 0.00 C ATOM 667 OG SER A 45 -3.350 -8.498 -16.112 1.00 0.00 O ATOM 0 H SER A 45 -4.183 -6.919 -12.494 1.00 0.00 H new ATOM 0 HA SER A 45 -4.195 -9.450 -14.015 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.033 -6.886 -15.032 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.337 -7.266 -14.812 1.00 0.00 H new ATOM 0 HG SER A 45 -3.126 -7.939 -16.886 1.00 0.00 H new ATOM 673 N LYS A 46 -2.212 -8.512 -11.742 1.00 0.00 N ATOM 674 CA LYS A 46 -1.027 -8.861 -10.973 1.00 0.00 C ATOM 675 C LYS A 46 -1.244 -8.607 -9.487 1.00 0.00 C ATOM 676 O LYS A 46 -2.153 -7.876 -9.099 1.00 0.00 O ATOM 677 CB LYS A 46 0.181 -8.062 -11.462 1.00 0.00 C ATOM 678 CG LYS A 46 1.487 -8.843 -11.425 1.00 0.00 C ATOM 679 CD LYS A 46 2.586 -8.064 -10.720 1.00 0.00 C ATOM 680 CE LYS A 46 3.850 -7.990 -11.563 1.00 0.00 C ATOM 681 NZ LYS A 46 5.008 -7.469 -10.786 1.00 0.00 N ATOM 0 H LYS A 46 -2.870 -7.902 -11.256 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.836 -9.924 -11.119 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.004 -7.729 -12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.286 -7.167 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.329 -9.793 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.801 -9.076 -12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.235 -7.056 -10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.813 -8.537 -9.765 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.088 -8.982 -11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.674 -7.348 -12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.887 -7.893 -11.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.056 -6.435 -10.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.891 -7.715 -9.782 1.00 0.00 H new ATOM 695 N THR A 47 -0.402 -9.212 -8.658 1.00 0.00 N ATOM 696 CA THR A 47 -0.501 -9.042 -7.220 1.00 0.00 C ATOM 697 C THR A 47 0.881 -8.893 -6.586 1.00 0.00 C ATOM 698 O THR A 47 1.663 -9.843 -6.567 1.00 0.00 O ATOM 699 CB THR A 47 -1.238 -10.228 -6.592 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.573 -10.304 -7.067 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.293 -10.169 -5.078 1.00 0.00 C ATOM 0 H THR A 47 0.356 -9.824 -8.960 1.00 0.00 H new ATOM 0 HA THR A 47 -1.066 -8.129 -7.030 1.00 0.00 H new ATOM 0 HB THR A 47 -0.665 -11.107 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.193 -10.112 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.829 -11.039 -4.699 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.279 -10.164 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.810 -9.261 -4.768 1.00 0.00 H new ATOM 709 N PRO A 48 1.201 -7.704 -6.044 1.00 0.00 N ATOM 710 CA PRO A 48 2.490 -7.471 -5.404 1.00 0.00 C ATOM 711 C PRO A 48 2.548 -8.100 -4.018 1.00 0.00 C ATOM 712 O PRO A 48 1.517 -8.460 -3.451 1.00 0.00 O ATOM 713 CB PRO A 48 2.560 -5.947 -5.303 1.00 0.00 C ATOM 714 CG PRO A 48 1.141 -5.513 -5.204 1.00 0.00 C ATOM 715 CD PRO A 48 0.339 -6.505 -6.004 1.00 0.00 C ATOM 0 HA PRO A 48 3.318 -7.910 -5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.132 -5.633 -4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.047 -5.514 -6.176 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.812 -5.494 -4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.015 -4.504 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.620 -6.717 -5.532 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.126 -6.132 -7.006 1.00 0.00 H new ATOM 723 N ASP A 49 3.750 -8.236 -3.474 1.00 0.00 N ATOM 724 CA ASP A 49 3.912 -8.822 -2.150 1.00 0.00 C ATOM 725 C ASP A 49 3.479 -7.838 -1.066 1.00 0.00 C ATOM 726 O ASP A 49 3.133 -8.237 0.046 1.00 0.00 O ATOM 727 CB ASP A 49 5.366 -9.243 -1.923 1.00 0.00 C ATOM 728 CG ASP A 49 5.810 -10.333 -2.876 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.881 -10.065 -4.093 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.089 -11.457 -2.405 1.00 0.00 O ATOM 0 H ASP A 49 4.620 -7.951 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 49 3.276 -9.706 -2.092 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.015 -8.375 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.484 -9.592 -0.897 1.00 0.00 H new ATOM 735 N VAL A 50 3.509 -6.547 -1.397 1.00 0.00 N ATOM 736 CA VAL A 50 3.128 -5.503 -0.461 1.00 0.00 C ATOM 737 C VAL A 50 2.440 -4.363 -1.213 1.00 0.00 C ATOM 738 O VAL A 50 2.561 -4.265 -2.434 1.00 0.00 O ATOM 739 CB VAL A 50 4.371 -4.998 0.299 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.437 -4.540 -0.675 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.025 -3.889 1.277 1.00 0.00 C ATOM 0 H VAL A 50 3.796 -6.203 -2.314 1.00 0.00 H new ATOM 0 HA VAL A 50 2.426 -5.905 0.269 1.00 0.00 H new ATOM 0 HB VAL A 50 4.762 -5.833 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.307 -4.187 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.727 -5.373 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.044 -3.730 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.929 -3.562 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.592 -3.048 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.306 -4.259 2.008 1.00 0.00 H new ATOM 751 N LEU A 51 1.701 -3.514 -0.501 1.00 0.00 N ATOM 752 CA LEU A 51 0.992 -2.418 -1.150 1.00 0.00 C ATOM 753 C LEU A 51 0.810 -1.224 -0.221 1.00 0.00 C ATOM 754 O LEU A 51 0.685 -1.368 0.996 1.00 0.00 O ATOM 755 CB LEU A 51 -0.378 -2.898 -1.634 1.00 0.00 C ATOM 756 CG LEU A 51 -1.104 -1.947 -2.590 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.293 -1.744 -3.859 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.491 -2.479 -2.923 1.00 0.00 C ATOM 0 H LEU A 51 1.580 -3.564 0.511 1.00 0.00 H new ATOM 0 HA LEU A 51 1.598 -2.095 -1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.253 -3.860 -2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.013 -3.068 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.215 -0.982 -2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.825 -1.065 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.678 -1.318 -3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.149 -2.703 -4.356 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.991 -1.790 -3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.402 -3.456 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.074 -2.572 -2.007 1.00 0.00 H new ATOM 770 N LEU A 52 0.804 -0.041 -0.827 1.00 0.00 N ATOM 771 CA LEU A 52 0.646 1.212 -0.103 1.00 0.00 C ATOM 772 C LEU A 52 -0.341 2.117 -0.843 1.00 0.00 C ATOM 773 O LEU A 52 -0.170 2.364 -2.033 1.00 0.00 O ATOM 774 CB LEU A 52 1.999 1.908 0.007 1.00 0.00 C ATOM 775 CG LEU A 52 3.046 1.203 0.867 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.426 1.258 0.206 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.082 1.835 2.249 1.00 0.00 C ATOM 0 H LEU A 52 0.909 0.074 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 52 0.261 1.006 0.896 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.405 2.031 -0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.839 2.908 0.411 1.00 0.00 H new ATOM 0 HG LEU A 52 2.771 0.153 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.153 0.749 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.384 0.766 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.725 2.298 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.830 1.330 2.861 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.339 2.891 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.103 1.738 2.719 1.00 0.00 H new ATOM 789 N SER A 53 -1.383 2.592 -0.153 1.00 0.00 N ATOM 790 CA SER A 53 -2.393 3.443 -0.795 1.00 0.00 C ATOM 791 C SER A 53 -2.365 4.894 -0.303 1.00 0.00 C ATOM 792 O SER A 53 -2.091 5.165 0.866 1.00 0.00 O ATOM 793 CB SER A 53 -3.785 2.847 -0.585 1.00 0.00 C ATOM 794 OG SER A 53 -4.291 2.302 -1.792 1.00 0.00 O ATOM 0 H SER A 53 -1.549 2.406 0.836 1.00 0.00 H new ATOM 0 HA SER A 53 -2.150 3.470 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.741 2.070 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.463 3.617 -0.217 1.00 0.00 H new ATOM 0 HG SER A 53 -4.887 1.551 -1.587 1.00 0.00 H new ATOM 800 N ASP A 54 -2.657 5.819 -1.229 1.00 0.00 N ATOM 801 CA ASP A 54 -2.673 7.257 -0.935 1.00 0.00 C ATOM 802 C ASP A 54 -3.896 7.667 -0.122 1.00 0.00 C ATOM 803 O ASP A 54 -3.896 8.728 0.502 1.00 0.00 O ATOM 804 CB ASP A 54 -2.645 8.075 -2.230 1.00 0.00 C ATOM 805 CG ASP A 54 -2.402 9.550 -1.973 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.061 9.903 -0.824 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.552 10.350 -2.920 1.00 0.00 O ATOM 0 H ASP A 54 -2.887 5.592 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.781 7.461 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.864 7.689 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.592 7.951 -2.756 1.00 0.00 H new ATOM 812 N ILE A 55 -4.934 6.833 -0.132 1.00 0.00 N ATOM 813 CA ILE A 55 -6.164 7.119 0.615 1.00 0.00 C ATOM 814 C ILE A 55 -6.615 8.572 0.429 1.00 0.00 C ATOM 815 O ILE A 55 -6.278 9.439 1.235 1.00 0.00 O ATOM 816 CB ILE A 55 -5.971 6.812 2.125 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.185 7.245 2.951 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.715 7.479 2.662 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.060 6.940 4.426 1.00 0.00 C ATOM 0 H ILE A 55 -4.951 5.953 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.944 6.471 0.216 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.864 5.731 2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.336 8.317 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.074 6.749 2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.605 7.247 3.721 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.846 7.110 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.793 8.559 2.533 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.958 7.276 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.940 5.866 4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.191 7.458 4.832 1.00 0.00 H new ATOM 831 N ARG A 56 -7.379 8.840 -0.637 1.00 0.00 N ATOM 832 CA ARG A 56 -7.852 10.201 -0.894 1.00 0.00 C ATOM 833 C ARG A 56 -8.893 10.277 -2.020 1.00 0.00 C ATOM 834 O ARG A 56 -8.545 10.310 -3.200 1.00 0.00 O ATOM 835 CB ARG A 56 -6.667 11.106 -1.233 1.00 0.00 C ATOM 836 CG ARG A 56 -5.846 10.617 -2.416 1.00 0.00 C ATOM 837 CD ARG A 56 -5.630 11.718 -3.443 1.00 0.00 C ATOM 838 NE ARG A 56 -6.875 12.095 -4.111 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.581 13.187 -3.819 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.177 14.019 -2.866 1.00 0.00 N ATOM 841 NH2 ARG A 56 -8.699 13.447 -4.482 1.00 0.00 N ATOM 0 H ARG A 56 -7.677 8.146 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.344 10.539 0.018 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.036 12.109 -1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.019 11.185 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.881 10.253 -2.064 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.352 9.774 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.202 12.593 -2.953 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.906 11.384 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.226 11.483 -4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.319 13.825 -2.350 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.725 14.852 -2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.017 12.812 -5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.241 14.282 -4.260 1.00 0.00 H new ATOM 855 N MET A 57 -10.170 10.349 -1.633 1.00 0.00 N ATOM 856 CA MET A 57 -11.283 10.473 -2.586 1.00 0.00 C ATOM 857 C MET A 57 -11.312 9.363 -3.648 1.00 0.00 C ATOM 858 O MET A 57 -11.522 9.639 -4.830 1.00 0.00 O ATOM 859 CB MET A 57 -11.222 11.841 -3.271 1.00 0.00 C ATOM 860 CG MET A 57 -12.526 12.618 -3.194 1.00 0.00 C ATOM 861 SD MET A 57 -12.630 13.660 -1.726 1.00 0.00 S ATOM 862 CE MET A 57 -14.400 13.681 -1.450 1.00 0.00 C ATOM 0 H MET A 57 -10.463 10.323 -0.656 1.00 0.00 H new ATOM 0 HA MET A 57 -12.201 10.371 -2.007 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.429 12.432 -2.813 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.953 11.702 -4.318 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.627 13.240 -4.084 1.00 0.00 H new ATOM 0 HG3 MET A 57 -13.362 11.918 -3.198 1.00 0.00 H new ATOM 0 HE1 MET A 57 -14.624 14.288 -0.573 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.899 14.105 -2.321 1.00 0.00 H new ATOM 0 HE3 MET A 57 -14.755 12.663 -1.288 1.00 0.00 H new ATOM 872 N PRO A 58 -11.118 8.096 -3.252 1.00 0.00 N ATOM 873 CA PRO A 58 -11.138 6.961 -4.176 1.00 0.00 C ATOM 874 C PRO A 58 -12.526 6.333 -4.298 1.00 0.00 C ATOM 875 O PRO A 58 -12.927 5.872 -5.367 1.00 0.00 O ATOM 876 CB PRO A 58 -10.194 5.995 -3.481 1.00 0.00 C ATOM 877 CG PRO A 58 -10.506 6.189 -2.036 1.00 0.00 C ATOM 878 CD PRO A 58 -10.860 7.651 -1.872 1.00 0.00 C ATOM 0 HA PRO A 58 -10.862 7.235 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.368 4.966 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.151 6.223 -3.701 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.334 5.551 -1.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.651 5.924 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.736 7.784 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.046 8.213 -1.414 1.00 0.00 H new ATOM 886 N GLY A 59 -13.242 6.315 -3.180 1.00 0.00 N ATOM 887 CA GLY A 59 -14.576 5.747 -3.125 1.00 0.00 C ATOM 888 C GLY A 59 -15.203 5.943 -1.756 1.00 0.00 C ATOM 889 O GLY A 59 -16.425 5.980 -1.617 1.00 0.00 O ATOM 0 H GLY A 59 -12.913 6.693 -2.292 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.204 6.213 -3.885 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.530 4.683 -3.358 1.00 0.00 H new ATOM 893 N MET A 60 -14.347 6.088 -0.748 1.00 0.00 N ATOM 894 CA MET A 60 -14.776 6.306 0.624 1.00 0.00 C ATOM 895 C MET A 60 -13.700 7.082 1.376 1.00 0.00 C ATOM 896 O MET A 60 -12.989 6.528 2.225 1.00 0.00 O ATOM 897 CB MET A 60 -15.064 4.986 1.343 1.00 0.00 C ATOM 898 CG MET A 60 -15.704 5.186 2.706 1.00 0.00 C ATOM 899 SD MET A 60 -16.241 3.644 3.468 1.00 0.00 S ATOM 900 CE MET A 60 -17.210 4.278 4.834 1.00 0.00 C ATOM 0 H MET A 60 -13.334 6.057 -0.864 1.00 0.00 H new ATOM 0 HA MET A 60 -15.702 6.880 0.602 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.722 4.376 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.133 4.431 1.462 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.992 5.682 3.366 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.561 5.852 2.604 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.616 3.446 5.409 1.00 0.00 H new ATOM 0 HE2 MET A 60 -16.576 4.889 5.477 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.028 4.886 4.448 1.00 0.00 H new ATOM 910 N ASP A 61 -13.577 8.363 1.027 1.00 0.00 N ATOM 911 CA ASP A 61 -12.595 9.264 1.631 1.00 0.00 C ATOM 912 C ASP A 61 -11.162 8.869 1.282 1.00 0.00 C ATOM 913 O ASP A 61 -10.295 9.728 1.120 1.00 0.00 O ATOM 914 CB ASP A 61 -12.764 9.308 3.149 1.00 0.00 C ATOM 915 CG ASP A 61 -12.978 10.719 3.663 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.062 11.554 3.503 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.059 10.991 4.226 1.00 0.00 O ATOM 0 H ASP A 61 -14.158 8.806 0.315 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.779 10.256 1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.612 8.686 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.881 8.881 3.623 1.00 0.00 H new ATOM 922 N GLY A 62 -10.915 7.572 1.185 1.00 0.00 N ATOM 923 CA GLY A 62 -9.590 7.088 0.880 1.00 0.00 C ATOM 924 C GLY A 62 -9.406 5.660 1.336 1.00 0.00 C ATOM 925 O GLY A 62 -8.704 4.877 0.696 1.00 0.00 O ATOM 0 H GLY A 62 -11.616 6.843 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.415 7.154 -0.194 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.848 7.724 1.363 1.00 0.00 H new ATOM 929 N LEU A 63 -10.040 5.320 2.454 1.00 0.00 N ATOM 930 CA LEU A 63 -9.939 3.978 2.996 1.00 0.00 C ATOM 931 C LEU A 63 -10.611 2.977 2.068 1.00 0.00 C ATOM 932 O LEU A 63 -10.262 1.797 2.056 1.00 0.00 O ATOM 933 CB LEU A 63 -10.546 3.893 4.399 1.00 0.00 C ATOM 934 CG LEU A 63 -9.784 4.656 5.487 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.320 6.071 5.628 1.00 0.00 C ATOM 936 CD2 LEU A 63 -9.852 3.911 6.812 1.00 0.00 C ATOM 0 H LEU A 63 -10.625 5.955 2.997 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.880 3.731 3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.567 4.272 4.359 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.607 2.844 4.688 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.737 4.722 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.765 6.595 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.205 6.600 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.376 6.035 5.898 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.305 4.469 7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.893 3.807 7.118 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.407 2.923 6.697 1.00 0.00 H new ATOM 948 N ALA A 64 -11.568 3.453 1.274 1.00 0.00 N ATOM 949 CA ALA A 64 -12.265 2.581 0.334 1.00 0.00 C ATOM 950 C ALA A 64 -11.268 1.848 -0.562 1.00 0.00 C ATOM 951 O ALA A 64 -11.550 0.756 -1.056 1.00 0.00 O ATOM 952 CB ALA A 64 -13.240 3.387 -0.505 1.00 0.00 C ATOM 0 H ALA A 64 -11.875 4.426 1.263 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.824 1.837 0.902 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.754 2.725 -1.202 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.971 3.866 0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.696 4.150 -1.062 1.00 0.00 H new ATOM 958 N LEU A 65 -10.094 2.449 -0.753 1.00 0.00 N ATOM 959 CA LEU A 65 -9.048 1.846 -1.575 1.00 0.00 C ATOM 960 C LEU A 65 -8.713 0.455 -1.056 1.00 0.00 C ATOM 961 O LEU A 65 -8.510 -0.480 -1.828 1.00 0.00 O ATOM 962 CB LEU A 65 -7.785 2.714 -1.564 1.00 0.00 C ATOM 963 CG LEU A 65 -7.885 4.021 -2.345 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.700 4.924 -2.035 1.00 0.00 C ATOM 965 CD2 LEU A 65 -7.971 3.742 -3.835 1.00 0.00 C ATOM 0 H LEU A 65 -9.845 3.352 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.417 1.773 -2.598 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.533 2.947 -0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.959 2.130 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.795 4.537 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.790 5.851 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.685 5.151 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.775 4.418 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.042 4.684 -4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.079 3.204 -4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.854 3.137 -4.042 1.00 0.00 H new ATOM 977 N LEU A 66 -8.671 0.335 0.263 1.00 0.00 N ATOM 978 CA LEU A 66 -8.372 -0.929 0.914 1.00 0.00 C ATOM 979 C LEU A 66 -9.531 -1.896 0.732 1.00 0.00 C ATOM 980 O LEU A 66 -9.336 -3.089 0.507 1.00 0.00 O ATOM 981 CB LEU A 66 -8.101 -0.698 2.399 1.00 0.00 C ATOM 982 CG LEU A 66 -6.972 0.293 2.690 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.506 1.717 2.721 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.279 -0.049 4.000 1.00 0.00 C ATOM 0 H LEU A 66 -8.842 1.107 0.907 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.482 -1.363 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.015 -0.337 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.858 -1.653 2.864 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.238 0.219 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.689 2.408 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.950 1.960 1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.263 1.805 3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.480 0.668 4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.001 -0.008 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.858 -1.053 3.938 1.00 0.00 H new ATOM 996 N LYS A 67 -10.738 -1.355 0.826 1.00 0.00 N ATOM 997 CA LYS A 67 -11.954 -2.145 0.668 1.00 0.00 C ATOM 998 C LYS A 67 -11.960 -2.895 -0.665 1.00 0.00 C ATOM 999 O LYS A 67 -12.329 -4.067 -0.730 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.185 -1.244 0.758 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.503 -2.004 0.697 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.294 -1.647 -0.550 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.792 -1.747 -0.308 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.563 -1.722 -1.583 1.00 0.00 N ATOM 0 H LYS A 67 -10.903 -0.366 1.012 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.982 -2.878 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.144 -0.679 1.689 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.155 -0.520 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.307 -3.076 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.096 -1.777 1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.042 -0.634 -0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.011 -2.313 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.012 -2.668 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.113 -0.921 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.580 -1.792 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.373 -0.832 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.275 -2.524 -2.179 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.549 -2.210 -1.727 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.505 -2.813 -3.054 1.00 0.00 C ATOM 1020 C GLN A 68 -10.413 -3.878 -3.128 1.00 0.00 C ATOM 1021 O GLN A 68 -10.588 -4.914 -3.769 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.263 -1.743 -4.121 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.159 -0.521 -3.993 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.581 -0.797 -4.443 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.509 -0.810 -3.635 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -13.757 -1.020 -5.740 1.00 0.00 N ATOM 0 H GLN A 68 -11.242 -1.238 -1.695 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.468 -3.288 -3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.222 -1.423 -4.069 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.412 -2.187 -5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.167 -0.187 -2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.745 0.294 -4.587 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.958 -0.999 -6.374 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.691 -1.212 -6.102 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.286 -3.620 -2.467 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.176 -4.567 -2.461 1.00 0.00 C ATOM 1037 C ILE A 69 -8.586 -5.880 -1.801 1.00 0.00 C ATOM 1038 O ILE A 69 -8.004 -6.928 -2.070 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.932 -3.992 -1.750 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.565 -2.639 -2.361 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.757 -4.958 -1.853 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.887 -1.696 -1.396 1.00 0.00 C ATOM 0 H ILE A 69 -9.119 -2.768 -1.932 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.914 -4.755 -3.502 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.165 -3.854 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.908 -2.803 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.470 -2.165 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.891 -4.533 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.023 -5.906 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.516 -5.127 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.658 -0.759 -1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.549 -1.500 -0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.963 -2.148 -1.034 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.610 -5.818 -0.956 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.121 -6.990 -0.280 1.00 0.00 C ATOM 1056 C LYS A 70 -10.921 -7.821 -1.257 1.00 0.00 C ATOM 1057 O LYS A 70 -10.735 -9.031 -1.393 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.051 -6.568 0.851 1.00 0.00 C ATOM 1059 CG LYS A 70 -10.702 -5.246 1.502 1.00 0.00 C ATOM 1060 CD LYS A 70 -11.388 -5.090 2.852 1.00 0.00 C ATOM 1061 CE LYS A 70 -12.874 -4.773 2.704 1.00 0.00 C ATOM 1062 NZ LYS A 70 -13.684 -5.981 2.384 1.00 0.00 N ATOM 0 H LYS A 70 -10.102 -4.955 -0.726 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.283 -7.563 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.068 -6.508 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.047 -7.345 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.622 -5.177 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.997 -4.427 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.268 -6.008 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.902 -4.294 3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.241 -4.327 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.008 -4.031 1.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.971 -5.952 1.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.116 -6.835 2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.531 -6.001 2.987 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.831 -7.130 -1.919 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.722 -7.742 -2.892 1.00 0.00 C ATOM 1078 C GLN A 71 -11.945 -8.335 -4.058 1.00 0.00 C ATOM 1079 O GLN A 71 -12.337 -9.354 -4.625 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.729 -6.705 -3.392 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.953 -6.582 -2.498 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.755 -5.326 -2.770 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.081 -4.181 -2.778 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -16.969 -5.383 -2.969 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.975 -6.127 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.257 -8.557 -2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.238 -5.734 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.048 -6.973 -4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.592 -7.454 -2.642 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.637 -6.587 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -17.447 -6.284 -2.954 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -17.497 -4.529 -3.149 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.840 -7.698 -4.404 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.001 -8.169 -5.499 1.00 0.00 C ATOM 1095 C ARG A 72 -8.884 -9.059 -4.975 1.00 0.00 C ATOM 1096 O ARG A 72 -8.401 -9.949 -5.675 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.410 -6.991 -6.271 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.288 -6.511 -7.416 1.00 0.00 C ATOM 1099 CD ARG A 72 -11.616 -5.969 -6.917 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.880 -4.627 -7.429 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.183 -3.552 -7.074 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.195 -3.657 -6.194 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.478 -2.368 -7.592 1.00 0.00 N ATOM 0 H ARG A 72 -10.500 -6.853 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.626 -8.752 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.242 -6.164 -5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.436 -7.279 -6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.765 -5.735 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.468 -7.335 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.420 -6.639 -7.222 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.614 -5.949 -5.827 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.642 -4.508 -8.096 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.968 -4.565 -5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.662 -2.830 -5.924 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.241 -2.281 -8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.942 -1.544 -7.319 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.476 -8.808 -3.739 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.409 -9.580 -3.110 1.00 0.00 C ATOM 1119 C HIS A 73 -7.562 -9.572 -1.592 1.00 0.00 C ATOM 1120 O HIS A 73 -6.920 -8.784 -0.898 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.046 -9.015 -3.514 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.944 -8.748 -4.981 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.544 -9.699 -5.893 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.237 -7.641 -5.699 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.599 -9.189 -7.109 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.020 -7.941 -7.020 1.00 0.00 N ATOM 0 H HIS A 73 -8.868 -8.074 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.477 -10.612 -3.453 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.864 -8.090 -2.967 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.265 -9.717 -3.221 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.251 -10.649 -5.665 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.579 -6.695 -5.306 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.343 -9.705 -8.022 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.423 -10.455 -1.053 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.666 -10.546 0.391 1.00 0.00 C ATOM 1137 C PRO A 74 -7.488 -11.141 1.163 1.00 0.00 C ATOM 1138 O PRO A 74 -7.683 -11.807 2.180 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.882 -11.468 0.490 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.836 -12.297 -0.745 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.234 -11.426 -1.814 1.00 0.00 C ATOM 0 HA PRO A 74 -8.815 -9.560 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.835 -12.089 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.808 -10.896 0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.236 -13.193 -0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.835 -12.628 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.622 -12.005 -2.506 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.002 -10.930 -2.407 1.00 0.00 H new ATOM 1149 N MET A 75 -6.269 -10.902 0.679 1.00 0.00 N ATOM 1150 CA MET A 75 -5.067 -11.422 1.329 1.00 0.00 C ATOM 1151 C MET A 75 -3.915 -10.428 1.236 1.00 0.00 C ATOM 1152 O MET A 75 -3.114 -10.294 2.162 1.00 0.00 O ATOM 1153 CB MET A 75 -4.647 -12.746 0.688 1.00 0.00 C ATOM 1154 CG MET A 75 -5.746 -13.795 0.669 1.00 0.00 C ATOM 1155 SD MET A 75 -5.351 -15.234 1.681 1.00 0.00 S ATOM 1156 CE MET A 75 -6.986 -15.899 1.972 1.00 0.00 C ATOM 0 H MET A 75 -6.088 -10.352 -0.161 1.00 0.00 H new ATOM 0 HA MET A 75 -5.304 -11.584 2.381 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.321 -12.556 -0.335 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.788 -13.144 1.228 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.675 -13.349 1.025 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.920 -14.115 -0.358 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.910 -16.796 2.586 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.594 -15.156 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.451 -16.150 1.019 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.836 -9.752 0.102 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.781 -8.777 -0.156 1.00 0.00 C ATOM 1168 C LEU A 76 -2.636 -7.756 0.977 1.00 0.00 C ATOM 1169 O LEU A 76 -3.615 -7.142 1.400 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.062 -8.042 -1.466 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.045 -6.962 -1.832 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -0.901 -7.560 -2.633 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.711 -5.840 -2.611 1.00 0.00 C ATOM 0 H LEU A 76 -4.498 -9.861 -0.666 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.844 -9.330 -0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.100 -8.773 -2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.049 -7.584 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.641 -6.545 -0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.186 -6.777 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.404 -8.328 -2.040 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.291 -8.004 -3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.970 -5.081 -2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.145 -6.241 -3.527 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.497 -5.392 -2.003 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.397 -7.551 1.469 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.118 -6.587 2.538 1.00 0.00 C ATOM 1187 C PRO A 77 -1.196 -5.143 2.047 1.00 0.00 C ATOM 1188 O PRO A 77 -0.494 -4.758 1.112 1.00 0.00 O ATOM 1189 CB PRO A 77 0.314 -6.921 2.959 1.00 0.00 C ATOM 1190 CG PRO A 77 0.935 -7.558 1.765 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.174 -8.237 1.008 1.00 0.00 C ATOM 0 HA PRO A 77 -1.844 -6.660 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.857 -6.023 3.253 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.325 -7.595 3.815 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.428 -6.812 1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.697 -8.278 2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.042 -8.135 -0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.210 -9.305 1.225 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.051 -4.349 2.683 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.219 -2.950 2.313 1.00 0.00 C ATOM 1201 C VAL A 78 -1.663 -2.025 3.386 1.00 0.00 C ATOM 1202 O VAL A 78 -1.789 -2.290 4.584 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.696 -2.576 2.085 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.793 -1.251 1.348 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.437 -3.671 1.326 1.00 0.00 C ATOM 0 H VAL A 78 -2.639 -4.652 3.459 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.669 -2.824 1.380 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.173 -2.472 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.842 -0.997 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.314 -0.470 1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.293 -1.334 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.476 -3.375 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.966 -3.824 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.400 -4.599 1.897 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.061 -0.929 2.945 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.496 0.054 3.857 1.00 0.00 C ATOM 1217 C ILE A 79 -0.897 1.457 3.437 1.00 0.00 C ATOM 1218 O ILE A 79 -0.505 1.937 2.376 1.00 0.00 O ATOM 1219 CB ILE A 79 1.036 -0.019 3.903 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.515 -1.462 4.000 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.572 0.794 5.070 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.733 -1.731 3.153 1.00 0.00 C ATOM 0 H ILE A 79 -0.952 -0.698 1.957 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.889 -0.174 4.848 1.00 0.00 H new ATOM 0 HB ILE A 79 1.420 0.403 2.974 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.743 -1.695 5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.710 -2.129 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.660 0.731 5.088 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.270 1.835 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.171 0.399 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.029 -2.774 3.262 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.502 -1.527 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.551 -1.087 3.476 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.694 2.107 4.259 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.161 3.447 3.945 1.00 0.00 C ATOM 1236 C ILE A 80 -1.267 4.523 4.550 1.00 0.00 C ATOM 1237 O ILE A 80 -0.832 4.417 5.692 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.609 3.632 4.425 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.445 2.417 4.044 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.214 4.887 3.840 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.440 2.135 2.559 1.00 0.00 C ATOM 0 H ILE A 80 -2.032 1.734 5.146 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.121 3.559 2.862 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.601 3.732 5.510 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.068 1.543 4.575 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.472 2.572 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.239 4.996 4.194 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.629 5.752 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.211 4.819 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.053 1.258 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.845 2.994 2.024 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.418 1.949 2.227 1.00 0.00 H new ATOM 1253 N MET A 81 -0.988 5.556 3.758 1.00 0.00 N ATOM 1254 CA MET A 81 -0.128 6.658 4.193 1.00 0.00 C ATOM 1255 C MET A 81 -0.902 7.734 4.952 1.00 0.00 C ATOM 1256 O MET A 81 -0.309 8.690 5.447 1.00 0.00 O ATOM 1257 CB MET A 81 0.597 7.294 3.003 1.00 0.00 C ATOM 1258 CG MET A 81 -0.219 7.351 1.719 1.00 0.00 C ATOM 1259 SD MET A 81 0.477 6.323 0.411 1.00 0.00 S ATOM 1260 CE MET A 81 2.108 7.042 0.248 1.00 0.00 C ATOM 0 H MET A 81 -1.346 5.654 2.808 1.00 0.00 H new ATOM 0 HA MET A 81 0.605 6.225 4.874 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.893 8.307 3.275 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.513 6.735 2.811 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.239 7.028 1.926 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.275 8.383 1.374 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.663 6.512 -0.526 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.017 8.093 -0.026 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.639 6.959 1.196 1.00 0.00 H new ATOM 1270 N THR A 82 -2.217 7.587 5.046 1.00 0.00 N ATOM 1271 CA THR A 82 -3.034 8.566 5.757 1.00 0.00 C ATOM 1272 C THR A 82 -4.244 7.887 6.408 1.00 0.00 C ATOM 1273 O THR A 82 -4.808 6.955 5.848 1.00 0.00 O ATOM 1274 CB THR A 82 -3.490 9.659 4.789 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.456 9.986 3.878 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.886 10.941 5.480 1.00 0.00 C ATOM 0 H THR A 82 -2.738 6.808 4.644 1.00 0.00 H new ATOM 0 HA THR A 82 -2.434 9.019 6.546 1.00 0.00 H new ATOM 0 HB THR A 82 -4.360 9.243 4.281 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.844 10.396 3.077 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.199 11.674 4.736 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.710 10.745 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.035 11.331 6.038 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.648 8.351 7.587 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.803 7.759 8.267 1.00 0.00 C ATOM 1286 C ALA A 83 -6.619 8.821 9.004 1.00 0.00 C ATOM 1287 O ALA A 83 -6.754 8.775 10.227 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.368 6.660 9.226 1.00 0.00 C ATOM 0 H ALA A 83 -4.204 9.121 8.087 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.440 7.315 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.245 6.238 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.850 5.877 8.672 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.697 7.077 9.977 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.153 9.784 8.255 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.944 10.859 8.847 1.00 0.00 C ATOM 1296 C HIS A 84 -9.448 10.608 8.725 1.00 0.00 C ATOM 1297 O HIS A 84 -10.236 11.167 9.487 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.585 12.198 8.199 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.859 12.249 6.728 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -7.023 12.157 5.667 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.121 12.419 6.202 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -7.786 12.272 4.534 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -9.048 12.428 4.884 1.00 0.00 N flip ATOM 0 H HIS A 84 -7.053 9.841 7.242 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.702 10.889 9.909 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.147 12.992 8.692 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.528 12.402 8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.028 12.528 6.778 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -7.414 12.240 3.520 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.835 12.537 4.244 1.00 0.00 H new ATOM 1312 N SER A 85 -9.848 9.784 7.758 1.00 0.00 N ATOM 1313 CA SER A 85 -11.267 9.495 7.549 1.00 0.00 C ATOM 1314 C SER A 85 -11.764 8.378 8.464 1.00 0.00 C ATOM 1315 O SER A 85 -11.099 8.002 9.430 1.00 0.00 O ATOM 1316 CB SER A 85 -11.530 9.127 6.089 1.00 0.00 C ATOM 1317 OG SER A 85 -10.485 9.586 5.252 1.00 0.00 O ATOM 0 H SER A 85 -9.217 9.309 7.112 1.00 0.00 H new ATOM 0 HA SER A 85 -11.819 10.401 7.798 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.627 8.045 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.476 9.561 5.766 1.00 0.00 H new ATOM 0 HG SER A 85 -10.072 8.823 4.796 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.951 7.863 8.152 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.567 6.800 8.936 1.00 0.00 C ATOM 1325 C ASP A 86 -12.644 5.594 9.078 1.00 0.00 C ATOM 1326 O ASP A 86 -12.578 4.743 8.193 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.885 6.372 8.289 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.964 7.427 8.430 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.617 8.626 8.496 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.155 7.056 8.474 1.00 0.00 O ATOM 0 H ASP A 86 -13.508 8.169 7.354 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.758 7.193 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.718 6.165 7.232 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.226 5.443 8.745 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.948 5.523 10.210 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.035 4.415 10.494 1.00 0.00 C ATOM 1337 C LEU A 87 -11.722 3.062 10.290 1.00 0.00 C ATOM 1338 O LEU A 87 -11.063 2.042 10.100 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.522 4.527 11.936 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.013 4.341 12.117 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.599 2.921 11.761 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.245 5.353 11.279 1.00 0.00 C ATOM 0 H LEU A 87 -11.998 6.223 10.950 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.197 4.476 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.799 5.506 12.326 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.037 3.784 12.545 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.770 4.512 13.166 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.523 2.811 11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.120 2.217 12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.856 2.717 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.174 5.205 11.421 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.494 5.217 10.226 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.516 6.362 11.589 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.050 3.065 10.345 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.838 1.846 10.183 1.00 0.00 C ATOM 1356 C ASP A 88 -13.406 1.034 8.959 1.00 0.00 C ATOM 1357 O ASP A 88 -13.263 -0.186 9.041 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.324 2.194 10.082 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.218 1.025 10.448 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.151 -0.013 9.759 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.986 1.150 11.425 1.00 0.00 O ATOM 0 H ASP A 88 -13.608 3.905 10.502 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.663 1.226 11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.543 3.035 10.740 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.550 2.517 9.066 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.201 1.704 7.827 1.00 0.00 N ATOM 1367 CA ALA A 89 -12.790 1.011 6.610 1.00 0.00 C ATOM 1368 C ALA A 89 -11.399 0.411 6.770 1.00 0.00 C ATOM 1369 O ALA A 89 -11.023 -0.512 6.046 1.00 0.00 O ATOM 1370 CB ALA A 89 -12.826 1.950 5.414 1.00 0.00 C ATOM 0 H ALA A 89 -13.311 2.713 7.728 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.496 0.200 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.516 1.411 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -13.840 2.327 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.148 2.786 5.587 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.642 0.935 7.727 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.297 0.445 7.987 1.00 0.00 C ATOM 1378 C ALA A 90 -9.342 -0.917 8.666 1.00 0.00 C ATOM 1379 O ALA A 90 -8.460 -1.751 8.464 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.530 1.439 8.845 1.00 0.00 C ATOM 0 H ALA A 90 -10.938 1.699 8.335 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.781 0.335 7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.525 1.059 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.466 2.395 8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.048 1.576 9.794 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.376 -1.137 9.475 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.528 -2.402 10.180 1.00 0.00 C ATOM 1388 C VAL A 91 -10.770 -3.548 9.206 1.00 0.00 C ATOM 1389 O VAL A 91 -10.185 -4.623 9.348 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.670 -2.359 11.210 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.610 -3.588 12.104 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.601 -1.082 12.038 1.00 0.00 C ATOM 0 H VAL A 91 -11.116 -0.458 9.656 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.593 -2.572 10.713 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.622 -2.362 10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.422 -3.550 12.830 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.710 -4.486 11.495 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.655 -3.610 12.629 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.418 -1.072 12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.649 -1.042 12.567 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.687 -0.217 11.381 1.00 0.00 H new ATOM 1402 N SER A 92 -11.616 -3.315 8.206 1.00 0.00 N ATOM 1403 CA SER A 92 -11.895 -4.342 7.209 1.00 0.00 C ATOM 1404 C SER A 92 -10.626 -4.674 6.433 1.00 0.00 C ATOM 1405 O SER A 92 -10.518 -5.738 5.823 1.00 0.00 O ATOM 1406 CB SER A 92 -12.999 -3.898 6.246 1.00 0.00 C ATOM 1407 OG SER A 92 -14.165 -3.499 6.947 1.00 0.00 O ATOM 0 H SER A 92 -12.114 -2.436 8.066 1.00 0.00 H new ATOM 0 HA SER A 92 -12.243 -5.234 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.639 -3.071 5.634 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.242 -4.715 5.567 1.00 0.00 H new ATOM 0 HG SER A 92 -14.852 -3.219 6.307 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.657 -3.761 6.470 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.392 -3.971 5.788 1.00 0.00 C ATOM 1415 C ALA A 93 -7.639 -5.117 6.440 1.00 0.00 C ATOM 1416 O ALA A 93 -7.111 -6.000 5.770 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.560 -2.700 5.806 1.00 0.00 C ATOM 0 H ALA A 93 -9.728 -2.872 6.965 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.589 -4.230 4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.616 -2.876 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.105 -1.901 5.303 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.362 -2.410 6.838 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.615 -5.102 7.757 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.950 -6.153 8.514 1.00 0.00 C ATOM 1425 C TYR A 94 -7.678 -7.478 8.311 1.00 0.00 C ATOM 1426 O TYR A 94 -7.098 -8.552 8.464 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.907 -5.800 10.003 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.648 -4.335 10.280 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.545 -3.690 9.734 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.506 -3.597 11.087 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.305 -2.352 9.984 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.272 -2.258 11.340 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.171 -1.641 10.787 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.935 -0.307 11.036 1.00 0.00 O ATOM 0 H TYR A 94 -8.047 -4.376 8.329 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.926 -6.248 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.855 -6.084 10.461 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.130 -6.393 10.484 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.864 -4.243 9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.369 -4.077 11.523 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.443 -1.866 9.552 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.949 -1.698 11.968 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.639 0.047 11.619 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.957 -7.382 7.958 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.781 -8.559 7.720 1.00 0.00 C ATOM 1446 C GLN A 95 -9.325 -9.278 6.450 1.00 0.00 C ATOM 1447 O GLN A 95 -9.330 -10.508 6.388 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.261 -8.150 7.636 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.143 -9.109 6.854 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.080 -8.861 5.361 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.304 -7.616 4.956 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -11.835 -9.779 4.579 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.445 -6.496 7.830 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.668 -9.255 8.551 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.656 -8.058 8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.325 -7.163 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.836 -10.134 7.063 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.174 -9.010 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.669 -10.721 4.934 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.798 -9.598 3.576 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.911 -8.506 5.446 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.435 -9.080 4.196 1.00 0.00 C ATOM 1463 C GLN A 96 -6.945 -9.403 4.283 1.00 0.00 C ATOM 1464 O GLN A 96 -6.426 -10.189 3.494 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.691 -8.136 3.019 1.00 0.00 C ATOM 1466 CG GLN A 96 -7.936 -6.822 3.107 1.00 0.00 C ATOM 1467 CD GLN A 96 -6.640 -6.841 2.320 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -5.663 -6.064 2.774 1.00 0.00 O flip ATOM 1469 NE2 GLN A 96 -6.519 -7.541 1.316 1.00 0.00 N flip ATOM 0 H GLN A 96 -8.897 -7.487 5.477 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.990 -10.003 4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.414 -8.641 2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.759 -7.927 2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.570 -6.017 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.719 -6.601 4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.296 -8.123 1.003 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.641 -7.540 0.796 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.261 -8.801 5.253 1.00 0.00 N ATOM 1479 CA GLY A 97 -4.843 -9.055 5.423 1.00 0.00 C ATOM 1480 C GLY A 97 -3.991 -7.802 5.316 1.00 0.00 C ATOM 1481 O GLY A 97 -2.791 -7.890 5.058 1.00 0.00 O ATOM 0 H GLY A 97 -6.663 -8.144 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.678 -9.516 6.397 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.517 -9.773 4.671 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.597 -6.634 5.522 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.852 -5.383 5.451 1.00 0.00 C ATOM 1487 C ALA A 98 -2.814 -5.325 6.566 1.00 0.00 C ATOM 1488 O ALA A 98 -2.987 -5.957 7.608 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.788 -4.184 5.524 1.00 0.00 C ATOM 0 H ALA A 98 -5.589 -6.530 5.737 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.336 -5.345 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.206 -3.264 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.490 -4.219 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.339 -4.209 6.464 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.727 -4.588 6.346 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.677 -4.495 7.350 1.00 0.00 C ATOM 1497 C PHE A 99 -1.001 -3.469 8.431 1.00 0.00 C ATOM 1498 O PHE A 99 -0.975 -3.789 9.619 1.00 0.00 O ATOM 1499 CB PHE A 99 0.670 -4.153 6.714 1.00 0.00 C ATOM 1500 CG PHE A 99 1.811 -4.274 7.683 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.109 -5.496 8.263 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.575 -3.168 8.026 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.145 -5.616 9.167 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.617 -3.287 8.931 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.901 -4.512 9.500 1.00 0.00 C ATOM 0 H PHE A 99 -1.554 -4.055 5.494 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.615 -5.477 7.818 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.846 -4.815 5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.636 -3.136 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.523 -6.366 8.005 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.356 -2.207 7.584 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.364 -6.575 9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.207 -2.421 9.191 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.714 -4.606 10.205 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.300 -2.234 8.025 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.613 -1.176 8.987 1.00 0.00 C ATOM 1517 C ASP A 100 -1.796 0.175 8.300 1.00 0.00 C ATOM 1518 O ASP A 100 -1.843 0.261 7.072 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.503 -1.073 10.038 1.00 0.00 C ATOM 1520 CG ASP A 100 0.872 -0.933 9.415 1.00 0.00 C ATOM 1521 OD1 ASP A 100 0.979 -0.291 8.349 1.00 0.00 O ATOM 1522 OD2 ASP A 100 1.841 -1.467 9.994 1.00 0.00 O ATOM 0 H ASP A 100 -1.332 -1.944 7.048 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.553 -1.440 9.471 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.696 -0.216 10.683 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.523 -1.960 10.672 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.894 1.232 9.108 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.065 2.586 8.592 1.00 0.00 C ATOM 1529 C TYR A 101 -0.907 3.481 9.026 1.00 0.00 C ATOM 1530 O TYR A 101 -0.604 3.595 10.213 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.393 3.187 9.072 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.534 3.011 8.096 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.102 1.763 7.870 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.048 4.099 7.406 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.150 1.609 6.983 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.093 3.952 6.519 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.643 2.707 6.312 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.689 2.558 5.427 1.00 0.00 O ATOM 0 H TYR A 101 -1.857 1.173 10.126 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.077 2.529 7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.666 2.727 10.022 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.251 4.251 9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.719 0.901 8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.622 5.078 7.566 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.581 0.633 6.816 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.479 4.810 5.989 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.073 1.661 5.522 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.269 4.111 8.050 1.00 0.00 N ATOM 1549 CA LEU A 102 0.857 5.005 8.301 1.00 0.00 C ATOM 1550 C LEU A 102 0.415 6.460 8.199 1.00 0.00 C ATOM 1551 O LEU A 102 -0.358 6.812 7.312 1.00 0.00 O ATOM 1552 CB LEU A 102 1.966 4.729 7.281 1.00 0.00 C ATOM 1553 CG LEU A 102 3.175 5.670 7.334 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.159 5.219 8.401 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.860 5.731 5.973 1.00 0.00 C ATOM 0 H LEU A 102 -0.515 4.019 7.064 1.00 0.00 H new ATOM 0 HA LEU A 102 1.233 4.825 9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.319 3.708 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.534 4.780 6.281 1.00 0.00 H new ATOM 0 HG LEU A 102 2.822 6.668 7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.010 5.900 8.422 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.667 5.222 9.374 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.506 4.211 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.716 6.403 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.198 4.734 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.156 6.100 5.227 1.00 0.00 H new ATOM 1567 N PRO A 103 0.899 7.334 9.097 1.00 0.00 N ATOM 1568 CA PRO A 103 0.542 8.755 9.071 1.00 0.00 C ATOM 1569 C PRO A 103 0.932 9.395 7.742 1.00 0.00 C ATOM 1570 O PRO A 103 1.592 8.762 6.917 1.00 0.00 O ATOM 1571 CB PRO A 103 1.342 9.355 10.236 1.00 0.00 C ATOM 1572 CG PRO A 103 2.423 8.364 10.508 1.00 0.00 C ATOM 1573 CD PRO A 103 1.832 7.022 10.189 1.00 0.00 C ATOM 0 HA PRO A 103 -0.530 8.923 9.170 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.755 10.328 9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.712 9.504 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.300 8.562 9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.746 8.412 11.548 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.594 6.307 9.879 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.320 6.590 11.049 1.00 0.00 H new ATOM 1581 N LYS A 104 0.512 10.641 7.525 1.00 0.00 N ATOM 1582 CA LYS A 104 0.806 11.344 6.273 1.00 0.00 C ATOM 1583 C LYS A 104 2.251 11.142 5.810 1.00 0.00 C ATOM 1584 O LYS A 104 2.487 10.860 4.636 1.00 0.00 O ATOM 1585 CB LYS A 104 0.503 12.835 6.392 1.00 0.00 C ATOM 1586 CG LYS A 104 0.657 13.584 5.075 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.188 12.964 3.968 1.00 0.00 C ATOM 1588 CE LYS A 104 0.668 12.488 2.800 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.064 11.527 1.927 1.00 0.00 N ATOM 0 H LYS A 104 -0.031 11.184 8.196 1.00 0.00 H new ATOM 0 HA LYS A 104 0.153 10.906 5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.515 12.964 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.168 13.277 7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.367 14.626 5.213 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.705 13.582 4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.753 12.123 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.914 13.695 3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.984 13.347 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.572 12.014 3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.423 11.449 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.091 10.594 2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.035 11.867 1.775 1.00 0.00 H new ATOM 1603 N PRO A 105 3.247 11.268 6.708 1.00 0.00 N ATOM 1604 CA PRO A 105 4.651 11.083 6.331 1.00 0.00 C ATOM 1605 C PRO A 105 4.829 9.811 5.509 1.00 0.00 C ATOM 1606 O PRO A 105 3.934 8.967 5.473 1.00 0.00 O ATOM 1607 CB PRO A 105 5.362 10.975 7.679 1.00 0.00 C ATOM 1608 CG PRO A 105 4.518 11.779 8.605 1.00 0.00 C ATOM 1609 CD PRO A 105 3.098 11.596 8.135 1.00 0.00 C ATOM 0 HA PRO A 105 5.040 11.889 5.709 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.437 9.938 8.007 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.378 11.366 7.625 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.635 11.440 9.634 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.805 12.830 8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.595 10.797 8.680 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.508 12.501 8.279 1.00 0.00 H new ATOM 1617 N PHE A 106 5.958 9.682 4.821 1.00 0.00 N ATOM 1618 CA PHE A 106 6.180 8.514 3.984 1.00 0.00 C ATOM 1619 C PHE A 106 7.638 8.405 3.526 1.00 0.00 C ATOM 1620 O PHE A 106 8.458 7.804 4.219 1.00 0.00 O ATOM 1621 CB PHE A 106 5.223 8.569 2.787 1.00 0.00 C ATOM 1622 CG PHE A 106 4.784 7.225 2.293 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.859 6.478 3.004 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.288 6.713 1.110 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.444 5.245 2.539 1.00 0.00 C ATOM 1626 CE2 PHE A 106 4.879 5.484 0.644 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.955 4.749 1.356 1.00 0.00 C ATOM 0 H PHE A 106 6.720 10.360 4.826 1.00 0.00 H new ATOM 0 HA PHE A 106 5.976 7.619 4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.342 9.147 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.709 9.103 1.971 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.459 6.863 3.930 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.010 7.284 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.722 4.670 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.282 5.095 -0.280 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.631 3.786 0.989 1.00 0.00 H new ATOM 1637 N ASP A 107 7.963 8.966 2.358 1.00 0.00 N ATOM 1638 CA ASP A 107 9.326 8.899 1.828 1.00 0.00 C ATOM 1639 C ASP A 107 9.897 7.489 1.989 1.00 0.00 C ATOM 1640 O ASP A 107 9.193 6.572 2.402 1.00 0.00 O ATOM 1641 CB ASP A 107 10.226 9.923 2.524 1.00 0.00 C ATOM 1642 CG ASP A 107 10.477 9.586 3.981 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.621 9.925 4.825 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.529 8.980 4.278 1.00 0.00 O ATOM 0 H ASP A 107 7.304 9.469 1.764 1.00 0.00 H new ATOM 0 HA ASP A 107 9.291 9.138 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.179 9.979 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.767 10.909 2.457 1.00 0.00 H new ATOM 1649 N ILE A 108 11.168 7.313 1.668 1.00 0.00 N ATOM 1650 CA ILE A 108 11.791 6.004 1.802 1.00 0.00 C ATOM 1651 C ILE A 108 11.908 5.608 3.264 1.00 0.00 C ATOM 1652 O ILE A 108 11.581 4.489 3.652 1.00 0.00 O ATOM 1653 CB ILE A 108 13.180 5.957 1.117 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.072 5.423 -0.309 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.168 5.105 1.899 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.866 5.926 -1.052 1.00 0.00 C ATOM 0 H ILE A 108 11.783 8.048 1.317 1.00 0.00 H new ATOM 0 HA ILE A 108 11.146 5.285 1.296 1.00 0.00 H new ATOM 0 HB ILE A 108 13.550 6.982 1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.970 5.701 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.041 4.334 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.129 5.098 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.294 5.520 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.790 4.086 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.856 5.505 -2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.961 5.625 -0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.905 7.013 -1.115 1.00 0.00 H new ATOM 1668 N ASP A 109 12.389 6.536 4.061 1.00 0.00 N ATOM 1669 CA ASP A 109 12.574 6.299 5.483 1.00 0.00 C ATOM 1670 C ASP A 109 11.315 5.740 6.144 1.00 0.00 C ATOM 1671 O ASP A 109 11.358 4.677 6.754 1.00 0.00 O ATOM 1672 CB ASP A 109 12.996 7.589 6.183 1.00 0.00 C ATOM 1673 CG ASP A 109 14.039 7.345 7.254 1.00 0.00 C ATOM 1674 OD1 ASP A 109 13.707 6.694 8.267 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.188 7.802 7.081 1.00 0.00 O ATOM 0 H ASP A 109 12.662 7.468 3.750 1.00 0.00 H new ATOM 0 HA ASP A 109 13.360 5.551 5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.392 8.288 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.121 8.060 6.631 1.00 0.00 H new ATOM 1680 N GLU A 110 10.208 6.474 6.050 1.00 0.00 N ATOM 1681 CA GLU A 110 8.958 6.059 6.671 1.00 0.00 C ATOM 1682 C GLU A 110 8.216 4.996 5.863 1.00 0.00 C ATOM 1683 O GLU A 110 7.458 4.205 6.428 1.00 0.00 O ATOM 1684 CB GLU A 110 8.051 7.274 6.898 1.00 0.00 C ATOM 1685 CG GLU A 110 8.743 8.431 7.601 1.00 0.00 C ATOM 1686 CD GLU A 110 8.543 8.406 9.103 1.00 0.00 C ATOM 1687 OE1 GLU A 110 7.410 8.119 9.547 1.00 0.00 O ATOM 1688 OE2 GLU A 110 9.518 8.675 9.837 1.00 0.00 O ATOM 0 H GLU A 110 10.154 7.360 5.548 1.00 0.00 H new ATOM 0 HA GLU A 110 9.218 5.607 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.673 7.619 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.187 6.966 7.488 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.810 8.399 7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.363 9.372 7.203 1.00 0.00 H new ATOM 1695 N ALA A 111 8.424 4.965 4.550 1.00 0.00 N ATOM 1696 CA ALA A 111 7.745 3.982 3.720 1.00 0.00 C ATOM 1697 C ALA A 111 8.493 2.658 3.715 1.00 0.00 C ATOM 1698 O ALA A 111 7.917 1.613 4.013 1.00 0.00 O ATOM 1699 CB ALA A 111 7.543 4.501 2.306 1.00 0.00 C ATOM 0 H ALA A 111 9.046 5.598 4.047 1.00 0.00 H new ATOM 0 HA ALA A 111 6.760 3.807 4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.033 3.744 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.939 5.408 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.512 4.724 1.858 1.00 0.00 H new ATOM 1705 N VAL A 112 9.781 2.704 3.395 1.00 0.00 N ATOM 1706 CA VAL A 112 10.590 1.494 3.381 1.00 0.00 C ATOM 1707 C VAL A 112 10.599 0.856 4.761 1.00 0.00 C ATOM 1708 O VAL A 112 10.670 -0.364 4.905 1.00 0.00 O ATOM 1709 CB VAL A 112 12.036 1.771 2.946 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.812 0.467 2.853 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.056 2.515 1.621 1.00 0.00 C ATOM 0 H VAL A 112 10.282 3.556 3.145 1.00 0.00 H new ATOM 0 HA VAL A 112 10.141 0.816 2.655 1.00 0.00 H new ATOM 0 HB VAL A 112 12.517 2.402 3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.836 0.674 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.819 -0.022 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.338 -0.187 2.122 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.088 2.704 1.326 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.565 1.912 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.530 3.463 1.728 1.00 0.00 H new ATOM 1721 N ALA A 113 10.505 1.697 5.774 1.00 0.00 N ATOM 1722 CA ALA A 113 10.474 1.236 7.150 1.00 0.00 C ATOM 1723 C ALA A 113 9.261 0.347 7.363 1.00 0.00 C ATOM 1724 O ALA A 113 9.355 -0.759 7.893 1.00 0.00 O ATOM 1725 CB ALA A 113 10.405 2.426 8.089 1.00 0.00 C ATOM 0 H ALA A 113 10.448 2.710 5.669 1.00 0.00 H new ATOM 0 HA ALA A 113 11.380 0.667 7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.382 2.075 9.121 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.281 3.058 7.940 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.503 3.001 7.881 1.00 0.00 H new ATOM 1731 N LEU A 114 8.117 0.874 6.953 1.00 0.00 N ATOM 1732 CA LEU A 114 6.843 0.192 7.086 1.00 0.00 C ATOM 1733 C LEU A 114 6.670 -0.929 6.063 1.00 0.00 C ATOM 1734 O LEU A 114 5.836 -1.815 6.250 1.00 0.00 O ATOM 1735 CB LEU A 114 5.713 1.208 6.943 1.00 0.00 C ATOM 1736 CG LEU A 114 4.309 0.677 7.221 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.248 -0.016 8.568 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.312 1.810 7.168 1.00 0.00 C ATOM 0 H LEU A 114 8.049 1.793 6.516 1.00 0.00 H new ATOM 0 HA LEU A 114 6.815 -0.271 8.072 1.00 0.00 H new ATOM 0 HB2 LEU A 114 5.908 2.039 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.736 1.610 5.930 1.00 0.00 H new ATOM 0 HG LEU A 114 4.058 -0.056 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.237 -0.385 8.742 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.947 -0.853 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.516 0.691 9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.312 1.424 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.569 2.557 7.919 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.334 2.268 6.179 1.00 0.00 H new ATOM 1750 N VAL A 115 7.430 -0.884 4.972 1.00 0.00 N ATOM 1751 CA VAL A 115 7.307 -1.908 3.938 1.00 0.00 C ATOM 1752 C VAL A 115 8.038 -3.194 4.315 1.00 0.00 C ATOM 1753 O VAL A 115 7.485 -4.286 4.196 1.00 0.00 O ATOM 1754 CB VAL A 115 7.799 -1.416 2.558 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.315 -1.418 2.466 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.204 -2.275 1.460 1.00 0.00 C ATOM 0 H VAL A 115 8.126 -0.163 4.782 1.00 0.00 H new ATOM 0 HA VAL A 115 6.241 -2.122 3.863 1.00 0.00 H new ATOM 0 HB VAL A 115 7.465 -0.386 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.620 -1.066 1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.727 -0.759 3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.688 -2.431 2.621 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.556 -1.922 0.491 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.511 -3.311 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.117 -2.211 1.497 1.00 0.00 H new ATOM 1766 N GLU A 116 9.281 -3.062 4.760 1.00 0.00 N ATOM 1767 CA GLU A 116 10.074 -4.223 5.142 1.00 0.00 C ATOM 1768 C GLU A 116 9.415 -4.975 6.291 1.00 0.00 C ATOM 1769 O GLU A 116 9.306 -6.201 6.260 1.00 0.00 O ATOM 1770 CB GLU A 116 11.488 -3.794 5.527 1.00 0.00 C ATOM 1771 CG GLU A 116 12.267 -3.188 4.372 1.00 0.00 C ATOM 1772 CD GLU A 116 13.707 -3.657 4.331 1.00 0.00 C ATOM 1773 OE1 GLU A 116 13.931 -4.868 4.123 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.610 -2.814 4.511 1.00 0.00 O ATOM 0 H GLU A 116 9.760 -2.167 4.865 1.00 0.00 H new ATOM 0 HA GLU A 116 10.133 -4.895 4.286 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.432 -3.069 6.339 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.031 -4.658 5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 116 11.778 -3.447 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.245 -2.101 4.454 1.00 0.00 H new ATOM 1781 N ARG A 117 8.967 -4.237 7.302 1.00 0.00 N ATOM 1782 CA ARG A 117 8.311 -4.845 8.451 1.00 0.00 C ATOM 1783 C ARG A 117 7.007 -5.516 8.034 1.00 0.00 C ATOM 1784 O ARG A 117 6.526 -6.432 8.701 1.00 0.00 O ATOM 1785 CB ARG A 117 8.049 -3.801 9.540 1.00 0.00 C ATOM 1786 CG ARG A 117 7.091 -2.700 9.122 1.00 0.00 C ATOM 1787 CD ARG A 117 6.560 -1.942 10.329 1.00 0.00 C ATOM 1788 NE ARG A 117 7.616 -1.214 11.028 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.418 -0.080 11.700 1.00 0.00 C ATOM 1790 NH1 ARG A 117 6.209 0.467 11.760 1.00 0.00 N ATOM 1791 NH2 ARG A 117 8.434 0.509 12.314 1.00 0.00 N ATOM 0 H ARG A 117 9.046 -3.221 7.348 1.00 0.00 H new ATOM 0 HA ARG A 117 8.976 -5.607 8.857 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.648 -4.302 10.421 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.997 -3.351 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.599 -2.008 8.450 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.259 -3.131 8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.790 -1.242 10.007 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.086 -2.642 11.017 1.00 0.00 H new ATOM 0 HE ARG A 117 8.561 -1.596 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 117 5.423 0.019 11.289 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.067 1.335 12.277 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.365 0.095 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 117 8.285 1.377 12.829 1.00 0.00 H new ATOM 1805 N ALA A 118 6.444 -5.056 6.920 1.00 0.00 N ATOM 1806 CA ALA A 118 5.202 -5.612 6.405 1.00 0.00 C ATOM 1807 C ALA A 118 5.429 -7.000 5.817 1.00 0.00 C ATOM 1808 O ALA A 118 4.707 -7.946 6.134 1.00 0.00 O ATOM 1809 CB ALA A 118 4.598 -4.685 5.361 1.00 0.00 C ATOM 0 H ALA A 118 6.831 -4.298 6.358 1.00 0.00 H new ATOM 0 HA ALA A 118 4.502 -5.706 7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.670 -5.115 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.392 -3.714 5.812 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.299 -4.560 4.536 1.00 0.00 H new ATOM 1815 N ILE A 119 6.439 -7.114 4.961 1.00 0.00 N ATOM 1816 CA ILE A 119 6.769 -8.384 4.328 1.00 0.00 C ATOM 1817 C ILE A 119 7.262 -9.392 5.357 1.00 0.00 C ATOM 1818 O ILE A 119 7.068 -10.599 5.209 1.00 0.00 O ATOM 1819 CB ILE A 119 7.848 -8.201 3.245 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.469 -7.063 2.298 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.057 -9.491 2.467 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.652 -6.237 1.854 1.00 0.00 C ATOM 0 H ILE A 119 7.044 -6.339 4.690 1.00 0.00 H new ATOM 0 HA ILE A 119 5.857 -8.759 3.863 1.00 0.00 H new ATOM 0 HB ILE A 119 8.785 -7.944 3.739 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.975 -7.479 1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.746 -6.414 2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.824 -9.338 1.707 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.374 -10.280 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.123 -9.781 1.986 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.313 -5.447 1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.133 -5.792 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.365 -6.875 1.332 1.00 0.00 H new ATOM 1834 N SER A 120 7.901 -8.880 6.398 1.00 0.00 N ATOM 1835 CA SER A 120 8.434 -9.717 7.467 1.00 0.00 C ATOM 1836 C SER A 120 7.309 -10.356 8.276 1.00 0.00 C ATOM 1837 O SER A 120 7.363 -11.541 8.604 1.00 0.00 O ATOM 1838 CB SER A 120 9.327 -8.888 8.391 1.00 0.00 C ATOM 1839 OG SER A 120 10.642 -8.785 7.874 1.00 0.00 O ATOM 0 H SER A 120 8.065 -7.882 6.527 1.00 0.00 H new ATOM 0 HA SER A 120 9.025 -10.511 7.010 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.902 -7.892 8.514 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.357 -9.346 9.380 1.00 0.00 H new ATOM 0 HG SER A 120 11.192 -8.249 8.483 1.00 0.00 H new ATOM 1845 N HIS A 121 6.295 -9.561 8.600 1.00 0.00 N ATOM 1846 CA HIS A 121 5.160 -10.049 9.376 1.00 0.00 C ATOM 1847 C HIS A 121 4.417 -11.147 8.630 1.00 0.00 C ATOM 1848 O HIS A 121 3.843 -12.049 9.239 1.00 0.00 O ATOM 1849 CB HIS A 121 4.206 -8.900 9.701 1.00 0.00 C ATOM 1850 CG HIS A 121 4.565 -8.156 10.950 1.00 0.00 C ATOM 1851 ND1 HIS A 121 5.706 -7.391 11.071 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.918 -8.052 12.136 1.00 0.00 C ATOM 1853 CE1 HIS A 121 5.745 -6.849 12.275 1.00 0.00 C ATOM 1854 NE2 HIS A 121 4.672 -7.235 12.940 1.00 0.00 N ATOM 0 H HIS A 121 6.235 -8.577 8.338 1.00 0.00 H new ATOM 0 HA HIS A 121 5.544 -10.468 10.306 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.193 -8.202 8.864 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.195 -9.296 9.802 1.00 0.00 H new ATOM 0 HD1 HIS A 121 6.410 -7.264 10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.983 -8.524 12.399 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.522 -6.201 12.651 1.00 0.00 H new ATOM 1863 N TYR A 122 4.430 -11.061 7.308 1.00 0.00 N ATOM 1864 CA TYR A 122 3.759 -12.043 6.474 1.00 0.00 C ATOM 1865 C TYR A 122 4.659 -13.249 6.222 1.00 0.00 C ATOM 1866 O TYR A 122 4.253 -14.392 6.431 1.00 0.00 O ATOM 1867 CB TYR A 122 3.323 -11.412 5.151 1.00 0.00 C ATOM 1868 CG TYR A 122 1.824 -11.244 5.036 1.00 0.00 C ATOM 1869 CD1 TYR A 122 0.979 -12.344 5.108 1.00 0.00 C ATOM 1870 CD2 TYR A 122 1.251 -9.989 4.862 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.391 -12.200 5.011 1.00 0.00 C ATOM 1872 CE2 TYR A 122 -0.120 -9.839 4.762 1.00 0.00 C ATOM 1873 CZ TYR A 122 -0.936 -10.946 4.838 1.00 0.00 C ATOM 1874 OH TYR A 122 -2.301 -10.799 4.741 1.00 0.00 O ATOM 0 H TYR A 122 4.900 -10.318 6.790 1.00 0.00 H new ATOM 0 HA TYR A 122 2.871 -12.389 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.800 -10.438 5.046 1.00 0.00 H new ATOM 0 HB3 TYR A 122 3.677 -12.031 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.401 -13.329 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 122 1.887 -9.118 4.804 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.033 -13.067 5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.549 -8.858 4.625 1.00 0.00 H new ATOM 0 HH TYR A 122 -2.545 -10.620 3.809 1.00 0.00 H new ATOM 1884 N GLN A 123 5.884 -12.988 5.779 1.00 0.00 N ATOM 1885 CA GLN A 123 6.839 -14.057 5.508 1.00 0.00 C ATOM 1886 C GLN A 123 6.300 -15.016 4.453 1.00 0.00 C ATOM 1887 O GLN A 123 5.158 -14.890 4.010 1.00 0.00 O ATOM 1888 CB GLN A 123 7.155 -14.818 6.797 1.00 0.00 C ATOM 1889 CG GLN A 123 8.643 -14.987 7.056 1.00 0.00 C ATOM 1890 CD GLN A 123 9.136 -16.385 6.744 1.00 0.00 C ATOM 1891 OE1 GLN A 123 8.407 -17.364 6.903 1.00 0.00 O ATOM 1892 NE2 GLN A 123 10.382 -16.487 6.297 1.00 0.00 N ATOM 0 H GLN A 123 6.239 -12.048 5.600 1.00 0.00 H new ATOM 0 HA GLN A 123 7.755 -13.607 5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.706 -14.291 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.689 -15.802 6.751 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.197 -14.268 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.854 -14.756 8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 123 10.952 -15.649 6.180 1.00 0.00 H new ATOM 0 HE22 GLN A 123 10.769 -17.403 6.071 1.00 0.00 H new ATOM 1901 N GLU A 124 7.127 -15.977 4.055 1.00 0.00 N ATOM 1902 CA GLU A 124 6.732 -16.958 3.052 1.00 0.00 C ATOM 1903 C GLU A 124 6.369 -16.277 1.737 1.00 0.00 C ATOM 1904 O GLU A 124 6.858 -16.657 0.673 1.00 0.00 O ATOM 1905 CB GLU A 124 5.546 -17.783 3.558 1.00 0.00 C ATOM 1906 CG GLU A 124 5.953 -18.970 4.416 1.00 0.00 C ATOM 1907 CD GLU A 124 4.921 -19.302 5.476 1.00 0.00 C ATOM 1908 OE1 GLU A 124 3.826 -19.778 5.112 1.00 0.00 O ATOM 1909 OE2 GLU A 124 5.209 -19.087 6.673 1.00 0.00 O ATOM 0 H GLU A 124 8.075 -16.097 4.412 1.00 0.00 H new ATOM 0 HA GLU A 124 7.579 -17.621 2.874 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.885 -17.137 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 124 4.973 -18.143 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.106 -19.840 3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.907 -18.756 4.897 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.495 11.345 -0.261 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.695 11.259 1.208 1.00 0.00 F HETATM 1919 F2 BEF A 125 -3.760 11.774 -0.909 1.00 0.00 F HETATM 1920 F3 BEF A 125 -1.428 12.334 -0.563 1.00 0.00 F