USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 GLN : amide:sc= -0.0853 K(o=-0.63,f=-4.7!) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.547 X(o=-0.63,f=-0.51) USER MOD Set 2.1: A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 95 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.94) USER MOD Set 3.1: A 47 THR OG1 : rot -133:sc= -0.0854 USER MOD Set 3.2: A 73 HIS : no HE2:sc= -3.57! C(o=-3.7!,f=-7.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0824 (180deg=-0.00211) USER MOD Single : A 2 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.0022) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 179:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= 0 USER MOD Single : A 30 CYS SG : rot -90:sc= -4.88! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -30:sc= -1.75! USER MOD Single : A 35 ASN : amide:sc= -2.56 X(o=-2.6,f=-2.7!) USER MOD Single : A 37 ASN : amide:sc= -1.31 K(o=-1.3,f=-0.15) USER MOD Single : A 45 SER OG : rot -7:sc= 0.809! USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= -1.38 (180deg=-2.83!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 170:sc= 0 (180deg=-0.0899) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -153:sc= -4.62 (180deg=-8.82!) USER MOD Single : A 82 THR OG1 : rot 143:sc= 0.171 USER MOD Single : A 84 HIS : no HE2:sc= -8.64! C(o=-8.6!,f=-12!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 53:sc= 0.309 USER MOD Single : A 96 GLN : amide:sc= -2.76 K(o=-2.8,f=-0.72) USER MOD Single : A 101 TYR OH : rot -171:sc= -0.936 USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 0.503 (180deg=0.33) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.561 K(o=-0.56,f=-1.7) USER MOD Single : A 122 TYR OH : rot 159:sc= -0.628 USER MOD Single : A 123 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.988 -18.860 -2.590 1.00 0.00 N ATOM 2 CA MET A 1 10.000 -17.395 -2.336 1.00 0.00 C ATOM 3 C MET A 1 9.537 -16.616 -3.563 1.00 0.00 C ATOM 4 O MET A 1 9.192 -17.202 -4.589 1.00 0.00 O ATOM 5 CB MET A 1 11.421 -16.975 -1.950 1.00 0.00 C ATOM 6 CG MET A 1 11.768 -17.273 -0.499 1.00 0.00 C ATOM 7 SD MET A 1 13.547 -17.296 -0.199 1.00 0.00 S ATOM 8 CE MET A 1 13.789 -15.692 0.560 1.00 0.00 C ATOM 0 H1 MET A 1 9.371 -19.328 -1.896 1.00 0.00 H new ATOM 0 H2 MET A 1 9.631 -19.043 -3.549 1.00 0.00 H new ATOM 0 H3 MET A 1 10.954 -19.235 -2.503 1.00 0.00 H new ATOM 0 HA MET A 1 9.308 -17.170 -1.524 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.132 -17.488 -2.598 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.538 -15.907 -2.131 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.305 -16.523 0.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.344 -18.237 -0.219 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.843 -15.560 0.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.475 -14.911 -0.132 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.196 -15.628 1.472 1.00 0.00 H new ATOM 20 N GLN A 2 9.531 -15.292 -3.450 1.00 0.00 N ATOM 21 CA GLN A 2 9.111 -14.429 -4.548 1.00 0.00 C ATOM 22 C GLN A 2 10.153 -13.347 -4.811 1.00 0.00 C ATOM 23 O GLN A 2 10.927 -12.992 -3.924 1.00 0.00 O ATOM 24 CB GLN A 2 7.758 -13.787 -4.233 1.00 0.00 C ATOM 25 CG GLN A 2 6.588 -14.465 -4.928 1.00 0.00 C ATOM 26 CD GLN A 2 5.456 -14.796 -3.976 1.00 0.00 C ATOM 27 OE1 GLN A 2 5.345 -15.921 -3.491 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.607 -13.811 -3.702 1.00 0.00 N ATOM 0 H GLN A 2 9.813 -14.792 -2.607 1.00 0.00 H new ATOM 0 HA GLN A 2 9.012 -15.041 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.595 -13.813 -3.156 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.786 -12.738 -4.526 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.214 -13.815 -5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.935 -15.381 -5.406 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.737 -12.893 -4.127 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.826 -13.973 -3.067 1.00 0.00 H new ATOM 37 N ARG A 3 10.167 -12.823 -6.033 1.00 0.00 N ATOM 38 CA ARG A 3 11.116 -11.778 -6.400 1.00 0.00 C ATOM 39 C ARG A 3 10.918 -10.530 -5.544 1.00 0.00 C ATOM 40 O ARG A 3 11.792 -9.665 -5.486 1.00 0.00 O ATOM 41 CB ARG A 3 10.976 -11.418 -7.881 1.00 0.00 C ATOM 42 CG ARG A 3 9.580 -10.957 -8.269 1.00 0.00 C ATOM 43 CD ARG A 3 9.398 -10.938 -9.780 1.00 0.00 C ATOM 44 NE ARG A 3 9.132 -9.592 -10.288 1.00 0.00 N ATOM 45 CZ ARG A 3 9.828 -9.008 -11.265 1.00 0.00 C ATOM 46 NH1 ARG A 3 10.865 -9.625 -11.823 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.492 -7.795 -11.684 1.00 0.00 N ATOM 0 H ARG A 3 9.535 -13.104 -6.783 1.00 0.00 H new ATOM 0 HA ARG A 3 12.119 -12.165 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.689 -10.630 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.243 -12.286 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.839 -11.619 -7.821 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.400 -9.960 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.294 -11.334 -10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.574 -11.597 -10.053 1.00 0.00 H new ATOM 0 HE ARG A 3 8.365 -9.066 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.136 -10.555 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.389 -9.168 -12.569 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.702 -7.309 -11.259 1.00 0.00 H new ATOM 0 HH22 ARG A 3 10.024 -7.348 -12.431 1.00 0.00 H new ATOM 61 N GLY A 4 9.767 -10.437 -4.885 1.00 0.00 N ATOM 62 CA GLY A 4 9.487 -9.286 -4.051 1.00 0.00 C ATOM 63 C GLY A 4 8.947 -8.123 -4.853 1.00 0.00 C ATOM 64 O GLY A 4 9.710 -7.316 -5.382 1.00 0.00 O ATOM 0 H GLY A 4 9.026 -11.137 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.765 -9.562 -3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.398 -8.980 -3.537 1.00 0.00 H new ATOM 68 N ILE A 5 7.628 -8.041 -4.950 1.00 0.00 N ATOM 69 CA ILE A 5 6.985 -6.974 -5.700 1.00 0.00 C ATOM 70 C ILE A 5 6.251 -6.017 -4.772 1.00 0.00 C ATOM 71 O ILE A 5 5.256 -6.381 -4.145 1.00 0.00 O ATOM 72 CB ILE A 5 5.984 -7.532 -6.728 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.613 -8.691 -7.501 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.526 -6.433 -7.677 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.229 -10.051 -6.963 1.00 0.00 C ATOM 0 H ILE A 5 6.982 -8.702 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 5 7.776 -6.438 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 5 5.109 -7.907 -6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.314 -8.625 -8.547 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.698 -8.590 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.819 -6.845 -8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.043 -5.639 -7.108 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.388 -6.027 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.710 -10.827 -7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.552 -10.136 -5.926 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.147 -10.171 -7.017 1.00 0.00 H new ATOM 87 N VAL A 6 6.744 -4.789 -4.695 1.00 0.00 N ATOM 88 CA VAL A 6 6.128 -3.775 -3.854 1.00 0.00 C ATOM 89 C VAL A 6 5.422 -2.726 -4.704 1.00 0.00 C ATOM 90 O VAL A 6 6.005 -2.177 -5.634 1.00 0.00 O ATOM 91 CB VAL A 6 7.162 -3.077 -2.949 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.302 -2.504 -3.775 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.487 -1.997 -2.120 1.00 0.00 C ATOM 0 H VAL A 6 7.569 -4.472 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 6 5.402 -4.286 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 6 7.587 -3.815 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.020 -2.016 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.797 -3.308 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.908 -1.776 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.227 -1.511 -1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.036 -1.258 -2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.713 -2.446 -1.498 1.00 0.00 H new ATOM 103 N TRP A 7 4.164 -2.454 -4.385 1.00 0.00 N ATOM 104 CA TRP A 7 3.386 -1.471 -5.131 1.00 0.00 C ATOM 105 C TRP A 7 3.010 -0.290 -4.234 1.00 0.00 C ATOM 106 O TRP A 7 2.781 -0.460 -3.037 1.00 0.00 O ATOM 107 CB TRP A 7 2.147 -2.143 -5.732 1.00 0.00 C ATOM 108 CG TRP A 7 2.467 -2.953 -6.961 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.711 -3.256 -7.433 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.540 -3.563 -7.870 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.620 -3.979 -8.593 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.298 -4.194 -8.877 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.147 -3.635 -7.936 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.709 -4.882 -9.934 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.437 -4.321 -8.986 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.343 -4.936 -9.972 1.00 0.00 C ATOM 0 H TRP A 7 3.660 -2.898 -3.617 1.00 0.00 H new ATOM 0 HA TRP A 7 3.990 -1.077 -5.948 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.690 -2.790 -4.983 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.411 -1.380 -5.986 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.637 -2.967 -6.959 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.408 -4.304 -9.153 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.464 -3.163 -7.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.309 -5.356 -10.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.514 -4.383 -9.046 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.144 -5.464 -10.779 1.00 0.00 H new ATOM 127 N VAL A 8 2.986 0.913 -4.808 1.00 0.00 N ATOM 128 CA VAL A 8 2.680 2.121 -4.039 1.00 0.00 C ATOM 129 C VAL A 8 1.694 3.033 -4.761 1.00 0.00 C ATOM 130 O VAL A 8 1.701 3.129 -5.985 1.00 0.00 O ATOM 131 CB VAL A 8 3.958 2.951 -3.769 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.837 3.748 -2.479 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.200 2.067 -3.752 1.00 0.00 C ATOM 0 H VAL A 8 3.174 1.078 -5.797 1.00 0.00 H new ATOM 0 HA VAL A 8 2.240 1.770 -3.105 1.00 0.00 H new ATOM 0 HB VAL A 8 4.067 3.660 -4.589 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.751 4.320 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.990 4.430 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.684 3.066 -1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.080 2.680 -3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.102 1.317 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.307 1.571 -4.717 1.00 0.00 H new ATOM 143 N VAL A 9 0.870 3.736 -3.995 1.00 0.00 N ATOM 144 CA VAL A 9 -0.079 4.677 -4.580 1.00 0.00 C ATOM 145 C VAL A 9 -0.069 5.997 -3.813 1.00 0.00 C ATOM 146 O VAL A 9 -0.611 6.079 -2.715 1.00 0.00 O ATOM 147 CB VAL A 9 -1.534 4.138 -4.624 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.097 4.286 -6.028 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.616 2.691 -4.164 1.00 0.00 C ATOM 0 H VAL A 9 0.838 3.675 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 9 0.250 4.827 -5.608 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.133 4.730 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.118 3.906 -6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.095 5.338 -6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.482 3.720 -6.728 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.651 2.353 -4.210 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.001 2.067 -4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.254 2.614 -3.139 1.00 0.00 H new ATOM 159 N ASP A 10 0.546 7.027 -4.406 1.00 0.00 N ATOM 160 CA ASP A 10 0.615 8.359 -3.790 1.00 0.00 C ATOM 161 C ASP A 10 1.632 9.251 -4.505 1.00 0.00 C ATOM 162 O ASP A 10 2.805 8.906 -4.612 1.00 0.00 O ATOM 163 CB ASP A 10 0.968 8.282 -2.297 1.00 0.00 C ATOM 164 CG ASP A 10 0.836 9.631 -1.606 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.808 10.658 -2.317 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.757 9.664 -0.356 1.00 0.00 O ATOM 0 H ASP A 10 1.005 6.964 -5.315 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.378 8.797 -3.890 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.315 7.559 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.989 7.916 -2.185 1.00 0.00 H new ATOM 171 N ASP A 11 1.173 10.409 -4.972 1.00 0.00 N ATOM 172 CA ASP A 11 2.028 11.385 -5.659 1.00 0.00 C ATOM 173 C ASP A 11 2.489 10.904 -7.038 1.00 0.00 C ATOM 174 O ASP A 11 2.856 11.716 -7.888 1.00 0.00 O ATOM 175 CB ASP A 11 3.240 11.735 -4.793 1.00 0.00 C ATOM 176 CG ASP A 11 3.353 13.225 -4.531 1.00 0.00 C ATOM 177 OD1 ASP A 11 3.983 13.926 -5.352 1.00 0.00 O ATOM 178 OD2 ASP A 11 2.812 13.691 -3.508 1.00 0.00 O ATOM 0 H ASP A 11 0.199 10.701 -4.887 1.00 0.00 H new ATOM 0 HA ASP A 11 1.421 12.276 -5.818 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.169 11.206 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.148 11.386 -5.285 1.00 0.00 H new ATOM 183 N ASP A 12 2.473 9.594 -7.264 1.00 0.00 N ATOM 184 CA ASP A 12 2.892 9.034 -8.545 1.00 0.00 C ATOM 185 C ASP A 12 4.413 9.166 -8.739 1.00 0.00 C ATOM 186 O ASP A 12 5.182 8.791 -7.853 1.00 0.00 O ATOM 187 CB ASP A 12 2.117 9.706 -9.689 1.00 0.00 C ATOM 188 CG ASP A 12 2.096 8.860 -10.949 1.00 0.00 C ATOM 189 OD1 ASP A 12 1.654 7.694 -10.873 1.00 0.00 O ATOM 190 OD2 ASP A 12 2.522 9.364 -12.009 1.00 0.00 O ATOM 0 H ASP A 12 2.175 8.901 -6.578 1.00 0.00 H new ATOM 0 HA ASP A 12 2.661 7.969 -8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.094 9.899 -9.367 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.569 10.673 -9.911 1.00 0.00 H new ATOM 195 N SER A 13 4.841 9.683 -9.898 1.00 0.00 N ATOM 196 CA SER A 13 6.263 9.842 -10.213 1.00 0.00 C ATOM 197 C SER A 13 7.093 10.250 -9.001 1.00 0.00 C ATOM 198 O SER A 13 8.169 9.701 -8.760 1.00 0.00 O ATOM 199 CB SER A 13 6.440 10.869 -11.333 1.00 0.00 C ATOM 200 OG SER A 13 7.660 10.668 -12.023 1.00 0.00 O ATOM 0 H SER A 13 4.215 10.000 -10.638 1.00 0.00 H new ATOM 0 HA SER A 13 6.627 8.868 -10.539 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.607 10.796 -12.032 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.417 11.875 -10.914 1.00 0.00 H new ATOM 0 HG SER A 13 7.747 11.336 -12.734 1.00 0.00 H new ATOM 206 N SER A 14 6.593 11.214 -8.249 1.00 0.00 N ATOM 207 CA SER A 14 7.294 11.701 -7.065 1.00 0.00 C ATOM 208 C SER A 14 7.635 10.556 -6.117 1.00 0.00 C ATOM 209 O SER A 14 8.807 10.259 -5.880 1.00 0.00 O ATOM 210 CB SER A 14 6.450 12.747 -6.334 1.00 0.00 C ATOM 211 OG SER A 14 7.255 13.807 -5.849 1.00 0.00 O ATOM 0 H SER A 14 5.704 11.678 -8.434 1.00 0.00 H new ATOM 0 HA SER A 14 8.224 12.162 -7.397 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.691 13.143 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.923 12.277 -5.503 1.00 0.00 H new ATOM 0 HG SER A 14 6.688 14.472 -5.406 1.00 0.00 H new ATOM 217 N ILE A 15 6.607 9.915 -5.579 1.00 0.00 N ATOM 218 CA ILE A 15 6.800 8.806 -4.660 1.00 0.00 C ATOM 219 C ILE A 15 7.389 7.592 -5.376 1.00 0.00 C ATOM 220 O ILE A 15 7.975 6.714 -4.746 1.00 0.00 O ATOM 221 CB ILE A 15 5.478 8.436 -3.956 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.016 9.611 -3.094 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.642 7.181 -3.107 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.917 9.891 -1.909 1.00 0.00 C ATOM 0 H ILE A 15 5.631 10.145 -5.764 1.00 0.00 H new ATOM 0 HA ILE A 15 7.512 9.126 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 15 4.723 8.225 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.960 10.505 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.008 9.410 -2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.695 6.943 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.943 6.348 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.405 7.352 -2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.525 10.738 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.954 9.013 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.921 10.125 -2.263 1.00 0.00 H new ATOM 236 N ARG A 16 7.238 7.553 -6.694 1.00 0.00 N ATOM 237 CA ARG A 16 7.768 6.451 -7.489 1.00 0.00 C ATOM 238 C ARG A 16 9.290 6.474 -7.512 1.00 0.00 C ATOM 239 O ARG A 16 9.937 5.490 -7.159 1.00 0.00 O ATOM 240 CB ARG A 16 7.216 6.509 -8.918 1.00 0.00 C ATOM 241 CG ARG A 16 7.502 5.258 -9.741 1.00 0.00 C ATOM 242 CD ARG A 16 7.635 5.578 -11.225 1.00 0.00 C ATOM 243 NE ARG A 16 6.691 4.809 -12.040 1.00 0.00 N ATOM 244 CZ ARG A 16 5.725 5.351 -12.785 1.00 0.00 C ATOM 245 NH1 ARG A 16 5.574 6.669 -12.849 1.00 0.00 N ATOM 246 NH2 ARG A 16 4.909 4.567 -13.479 1.00 0.00 N ATOM 0 H ARG A 16 6.754 8.270 -7.235 1.00 0.00 H new ATOM 0 HA ARG A 16 7.449 5.518 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.138 6.665 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.643 7.373 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.420 4.791 -9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.699 4.535 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.466 6.643 -11.383 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.653 5.365 -11.552 1.00 0.00 H new ATOM 0 HE ARG A 16 6.778 3.793 -12.038 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.200 7.280 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.832 7.070 -13.422 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.021 3.554 -13.442 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.170 4.978 -14.049 1.00 0.00 H new ATOM 260 N TRP A 17 9.859 7.597 -7.929 1.00 0.00 N ATOM 261 CA TRP A 17 11.309 7.736 -7.999 1.00 0.00 C ATOM 262 C TRP A 17 11.971 7.417 -6.660 1.00 0.00 C ATOM 263 O TRP A 17 12.998 6.739 -6.610 1.00 0.00 O ATOM 264 CB TRP A 17 11.683 9.153 -8.438 1.00 0.00 C ATOM 265 CG TRP A 17 13.158 9.349 -8.621 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.927 8.882 -9.649 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.042 10.066 -7.752 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.234 9.266 -9.473 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.331 9.993 -8.315 1.00 0.00 C ATOM 270 CE3 TRP A 17 13.868 10.762 -6.553 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.438 10.591 -7.720 1.00 0.00 C ATOM 272 CZ3 TRP A 17 14.970 11.356 -5.963 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.239 11.267 -6.547 1.00 0.00 C ATOM 0 H TRP A 17 9.340 8.424 -8.224 1.00 0.00 H new ATOM 0 HA TRP A 17 11.674 7.019 -8.734 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.175 9.381 -9.375 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.319 9.864 -7.696 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.561 8.296 -10.479 1.00 0.00 H new ATOM 0 HE1 TRP A 17 16.007 9.046 -10.102 1.00 0.00 H new ATOM 0 HE3 TRP A 17 12.892 10.835 -6.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.418 10.524 -8.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 14.849 11.897 -5.036 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.079 11.742 -6.062 1.00 0.00 H new ATOM 284 N VAL A 18 11.393 7.928 -5.577 1.00 0.00 N ATOM 285 CA VAL A 18 11.951 7.713 -4.245 1.00 0.00 C ATOM 286 C VAL A 18 11.837 6.263 -3.789 1.00 0.00 C ATOM 287 O VAL A 18 12.794 5.691 -3.265 1.00 0.00 O ATOM 288 CB VAL A 18 11.298 8.622 -3.179 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.282 8.918 -2.059 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.791 9.922 -3.789 1.00 0.00 C ATOM 0 H VAL A 18 10.543 8.491 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 18 13.006 7.972 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 18 10.442 8.087 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.806 9.559 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.589 7.984 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.157 9.423 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.338 10.537 -3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.624 10.462 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.047 9.699 -4.554 1.00 0.00 H new ATOM 300 N LEU A 19 10.661 5.684 -3.962 1.00 0.00 N ATOM 301 CA LEU A 19 10.418 4.309 -3.537 1.00 0.00 C ATOM 302 C LEU A 19 10.922 3.287 -4.548 1.00 0.00 C ATOM 303 O LEU A 19 11.186 2.139 -4.192 1.00 0.00 O ATOM 304 CB LEU A 19 8.928 4.076 -3.268 1.00 0.00 C ATOM 305 CG LEU A 19 8.427 4.474 -1.876 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.251 3.801 -0.782 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.441 5.985 -1.718 1.00 0.00 C ATOM 0 H LEU A 19 9.858 6.141 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 19 10.981 4.168 -2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.354 4.630 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.712 3.019 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 19 7.398 4.129 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.873 4.102 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.175 2.718 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.295 4.102 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.082 6.250 -0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.458 6.355 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.793 6.435 -2.470 1.00 0.00 H new ATOM 319 N GLU A 20 11.041 3.689 -5.806 1.00 0.00 N ATOM 320 CA GLU A 20 11.499 2.766 -6.837 1.00 0.00 C ATOM 321 C GLU A 20 12.955 2.375 -6.639 1.00 0.00 C ATOM 322 O GLU A 20 13.266 1.200 -6.471 1.00 0.00 O ATOM 323 CB GLU A 20 11.276 3.331 -8.248 1.00 0.00 C ATOM 324 CG GLU A 20 12.187 4.482 -8.643 1.00 0.00 C ATOM 325 CD GLU A 20 11.862 5.024 -10.022 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.666 5.250 -10.307 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.804 5.226 -10.819 1.00 0.00 O ATOM 0 H GLU A 20 10.831 4.632 -6.134 1.00 0.00 H new ATOM 0 HA GLU A 20 10.895 1.864 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.406 2.524 -8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.242 3.665 -8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.096 5.283 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.224 4.146 -8.622 1.00 0.00 H new ATOM 334 N ARG A 21 13.839 3.358 -6.668 1.00 0.00 N ATOM 335 CA ARG A 21 15.269 3.109 -6.509 1.00 0.00 C ATOM 336 C ARG A 21 15.606 2.543 -5.132 1.00 0.00 C ATOM 337 O ARG A 21 16.169 1.455 -5.024 1.00 0.00 O ATOM 338 CB ARG A 21 16.063 4.395 -6.752 1.00 0.00 C ATOM 339 CG ARG A 21 15.950 4.925 -8.176 1.00 0.00 C ATOM 340 CD ARG A 21 17.254 4.760 -8.945 1.00 0.00 C ATOM 341 NE ARG A 21 17.035 4.740 -10.393 1.00 0.00 N ATOM 342 CZ ARG A 21 17.467 3.775 -11.207 1.00 0.00 C ATOM 343 NH1 ARG A 21 18.158 2.745 -10.733 1.00 0.00 N ATOM 344 NH2 ARG A 21 17.208 3.843 -12.506 1.00 0.00 N ATOM 0 H ARG A 21 13.595 4.339 -6.800 1.00 0.00 H new ATOM 0 HA ARG A 21 15.549 2.361 -7.251 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.716 5.162 -6.060 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.113 4.212 -6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.151 4.398 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.674 5.979 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.931 5.576 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.742 3.835 -8.639 1.00 0.00 H new ATOM 0 HE ARG A 21 16.518 5.516 -10.807 1.00 0.00 H new ATOM 0 HH11 ARG A 21 18.364 2.685 -9.736 1.00 0.00 H new ATOM 0 HH12 ARG A 21 18.482 2.014 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.680 4.631 -12.880 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.537 3.107 -13.131 1.00 0.00 H new ATOM 358 N ALA A 22 15.277 3.290 -4.082 1.00 0.00 N ATOM 359 CA ALA A 22 15.568 2.857 -2.718 1.00 0.00 C ATOM 360 C ALA A 22 15.093 1.440 -2.460 1.00 0.00 C ATOM 361 O ALA A 22 15.867 0.582 -2.034 1.00 0.00 O ATOM 362 CB ALA A 22 14.950 3.816 -1.711 1.00 0.00 C ATOM 0 H ALA A 22 14.811 4.195 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 22 16.651 2.866 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.177 3.478 -0.700 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.360 4.815 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.869 3.843 -1.850 1.00 0.00 H new ATOM 368 N LEU A 23 13.826 1.197 -2.721 1.00 0.00 N ATOM 369 CA LEU A 23 13.258 -0.126 -2.515 1.00 0.00 C ATOM 370 C LEU A 23 13.898 -1.132 -3.471 1.00 0.00 C ATOM 371 O LEU A 23 13.916 -2.335 -3.199 1.00 0.00 O ATOM 372 CB LEU A 23 11.733 -0.099 -2.681 1.00 0.00 C ATOM 373 CG LEU A 23 10.967 -1.227 -1.973 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.664 -1.655 -0.685 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.537 -0.800 -1.680 1.00 0.00 C ATOM 0 H LEU A 23 13.169 1.892 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 23 13.473 -0.440 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.362 0.856 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.501 -0.139 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 23 10.949 -2.085 -2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.094 -2.454 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.668 -2.012 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.729 -0.804 -0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.010 -1.612 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.545 0.080 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.030 -0.561 -2.615 1.00 0.00 H new ATOM 387 N ALA A 24 14.450 -0.633 -4.576 1.00 0.00 N ATOM 388 CA ALA A 24 15.118 -1.500 -5.532 1.00 0.00 C ATOM 389 C ALA A 24 16.386 -2.051 -4.905 1.00 0.00 C ATOM 390 O ALA A 24 16.745 -3.210 -5.115 1.00 0.00 O ATOM 391 CB ALA A 24 15.448 -0.759 -6.819 1.00 0.00 C ATOM 0 H ALA A 24 14.446 0.356 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 24 14.445 -2.319 -5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.947 -1.437 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.528 -0.389 -7.272 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.106 0.081 -6.597 1.00 0.00 H new ATOM 397 N GLY A 25 17.050 -1.213 -4.111 1.00 0.00 N ATOM 398 CA GLY A 25 18.258 -1.642 -3.442 1.00 0.00 C ATOM 399 C GLY A 25 17.992 -2.818 -2.524 1.00 0.00 C ATOM 400 O GLY A 25 18.885 -3.623 -2.256 1.00 0.00 O ATOM 0 H GLY A 25 16.771 -0.250 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.008 -1.919 -4.183 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.670 -0.814 -2.865 1.00 0.00 H new ATOM 404 N ALA A 26 16.752 -2.920 -2.050 1.00 0.00 N ATOM 405 CA ALA A 26 16.358 -4.003 -1.170 1.00 0.00 C ATOM 406 C ALA A 26 16.131 -5.294 -1.954 1.00 0.00 C ATOM 407 O ALA A 26 16.090 -6.381 -1.377 1.00 0.00 O ATOM 408 CB ALA A 26 15.104 -3.623 -0.396 1.00 0.00 C ATOM 0 H ALA A 26 16.005 -2.260 -2.265 1.00 0.00 H new ATOM 0 HA ALA A 26 17.169 -4.178 -0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.819 -4.445 0.261 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.301 -2.733 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.293 -3.419 -1.095 1.00 0.00 H new ATOM 414 N GLY A 27 16.006 -5.171 -3.275 1.00 0.00 N ATOM 415 CA GLY A 27 15.810 -6.339 -4.113 1.00 0.00 C ATOM 416 C GLY A 27 14.359 -6.589 -4.480 1.00 0.00 C ATOM 417 O GLY A 27 13.979 -7.727 -4.757 1.00 0.00 O ATOM 0 H GLY A 27 16.037 -4.284 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.392 -6.221 -5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.201 -7.216 -3.597 1.00 0.00 H new ATOM 421 N LEU A 28 13.540 -5.538 -4.497 1.00 0.00 N ATOM 422 CA LEU A 28 12.137 -5.689 -4.848 1.00 0.00 C ATOM 423 C LEU A 28 11.755 -4.770 -6.003 1.00 0.00 C ATOM 424 O LEU A 28 12.519 -3.885 -6.390 1.00 0.00 O ATOM 425 CB LEU A 28 11.228 -5.410 -3.647 1.00 0.00 C ATOM 426 CG LEU A 28 11.880 -5.575 -2.277 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.499 -4.276 -1.839 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.865 -6.071 -1.258 1.00 0.00 C ATOM 0 H LEU A 28 13.824 -4.584 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 28 11.996 -6.724 -5.160 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.849 -4.391 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.367 -6.076 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 28 12.670 -6.322 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.961 -4.405 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.257 -3.972 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.728 -3.508 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.348 -6.183 -0.287 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.050 -5.352 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.468 -7.034 -1.579 1.00 0.00 H new ATOM 440 N THR A 29 10.561 -4.986 -6.541 1.00 0.00 N ATOM 441 CA THR A 29 10.059 -4.178 -7.649 1.00 0.00 C ATOM 442 C THR A 29 9.016 -3.189 -7.147 1.00 0.00 C ATOM 443 O THR A 29 7.893 -3.571 -6.818 1.00 0.00 O ATOM 444 CB THR A 29 9.454 -5.077 -8.730 1.00 0.00 C ATOM 445 OG1 THR A 29 10.468 -5.816 -9.386 1.00 0.00 O ATOM 446 CG2 THR A 29 8.684 -4.314 -9.788 1.00 0.00 C ATOM 0 H THR A 29 9.920 -5.715 -6.228 1.00 0.00 H new ATOM 0 HA THR A 29 10.892 -3.623 -8.081 1.00 0.00 H new ATOM 0 HB THR A 29 8.759 -5.733 -8.205 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.364 -5.724 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.283 -5.013 -10.522 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.864 -3.770 -9.320 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.350 -3.609 -10.285 1.00 0.00 H new ATOM 454 N CYS A 30 9.395 -1.919 -7.077 1.00 0.00 N ATOM 455 CA CYS A 30 8.490 -0.889 -6.593 1.00 0.00 C ATOM 456 C CYS A 30 7.878 -0.072 -7.724 1.00 0.00 C ATOM 457 O CYS A 30 8.571 0.670 -8.421 1.00 0.00 O ATOM 458 CB CYS A 30 9.214 0.039 -5.630 1.00 0.00 C ATOM 459 SG CYS A 30 8.100 1.067 -4.653 1.00 0.00 S ATOM 0 H CYS A 30 10.318 -1.581 -7.348 1.00 0.00 H new ATOM 0 HA CYS A 30 7.677 -1.400 -6.077 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.831 -0.557 -4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.889 0.682 -6.195 1.00 0.00 H new ATOM 0 HG CYS A 30 7.874 2.182 -5.282 1.00 0.00 H new ATOM 465 N THR A 31 6.565 -0.189 -7.867 1.00 0.00 N ATOM 466 CA THR A 31 5.825 0.560 -8.871 1.00 0.00 C ATOM 467 C THR A 31 4.816 1.443 -8.147 1.00 0.00 C ATOM 468 O THR A 31 4.442 1.147 -7.012 1.00 0.00 O ATOM 469 CB THR A 31 5.110 -0.382 -9.852 1.00 0.00 C ATOM 470 OG1 THR A 31 4.816 0.291 -11.062 1.00 0.00 O ATOM 471 CG2 THR A 31 3.806 -0.922 -9.319 1.00 0.00 C ATOM 0 H THR A 31 5.986 -0.802 -7.293 1.00 0.00 H new ATOM 0 HA THR A 31 6.513 1.170 -9.457 1.00 0.00 H new ATOM 0 HB THR A 31 5.799 -1.212 -10.007 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.362 -0.323 -11.676 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.354 -1.580 -10.061 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.992 -1.483 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.129 -0.094 -9.107 1.00 0.00 H new ATOM 479 N THR A 32 4.377 2.522 -8.775 1.00 0.00 N ATOM 480 CA THR A 32 3.425 3.409 -8.125 1.00 0.00 C ATOM 481 C THR A 32 2.224 3.725 -9.000 1.00 0.00 C ATOM 482 O THR A 32 2.236 3.517 -10.214 1.00 0.00 O ATOM 483 CB THR A 32 4.103 4.697 -7.693 1.00 0.00 C ATOM 484 OG1 THR A 32 4.359 5.524 -8.814 1.00 0.00 O ATOM 485 CG2 THR A 32 5.409 4.458 -6.974 1.00 0.00 C ATOM 0 H THR A 32 4.657 2.802 -9.715 1.00 0.00 H new ATOM 0 HA THR A 32 3.056 2.878 -7.247 1.00 0.00 H new ATOM 0 HB THR A 32 3.414 5.183 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.506 4.966 -9.606 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.848 5.414 -6.689 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.228 3.861 -6.080 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.095 3.926 -7.633 1.00 0.00 H new ATOM 493 N PHE A 33 1.182 4.218 -8.346 1.00 0.00 N ATOM 494 CA PHE A 33 -0.060 4.561 -9.009 1.00 0.00 C ATOM 495 C PHE A 33 -0.591 5.915 -8.515 1.00 0.00 C ATOM 496 O PHE A 33 -0.015 6.523 -7.609 1.00 0.00 O ATOM 497 CB PHE A 33 -1.074 3.444 -8.797 1.00 0.00 C ATOM 498 CG PHE A 33 -0.583 2.098 -9.242 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.371 1.428 -8.496 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.076 1.497 -10.389 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.827 0.186 -8.886 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.624 0.253 -10.783 1.00 0.00 C ATOM 503 CZ PHE A 33 0.330 -0.404 -10.030 1.00 0.00 C ATOM 0 H PHE A 33 1.178 4.390 -7.341 1.00 0.00 H new ATOM 0 HA PHE A 33 0.120 4.664 -10.079 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.334 3.396 -7.740 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.988 3.686 -9.339 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.763 1.883 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.822 2.007 -10.981 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.573 -0.325 -8.296 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.016 -0.206 -11.679 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.686 -1.377 -10.336 1.00 0.00 H new ATOM 513 N GLU A 34 -1.659 6.401 -9.148 1.00 0.00 N ATOM 514 CA GLU A 34 -2.237 7.708 -8.821 1.00 0.00 C ATOM 515 C GLU A 34 -2.664 7.845 -7.353 1.00 0.00 C ATOM 516 O GLU A 34 -2.173 8.735 -6.655 1.00 0.00 O ATOM 517 CB GLU A 34 -3.437 7.976 -9.737 1.00 0.00 C ATOM 518 CG GLU A 34 -4.468 6.857 -9.743 1.00 0.00 C ATOM 519 CD GLU A 34 -5.703 7.180 -8.926 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.048 8.375 -8.816 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.325 6.233 -8.398 1.00 0.00 O ATOM 0 H GLU A 34 -2.145 5.906 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.452 8.447 -8.981 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.921 8.901 -9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.078 8.132 -10.754 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.764 6.650 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.010 5.948 -9.354 1.00 0.00 H new ATOM 528 N ASN A 35 -3.575 6.999 -6.877 1.00 0.00 N ATOM 529 CA ASN A 35 -4.029 7.095 -5.491 1.00 0.00 C ATOM 530 C ASN A 35 -4.501 5.756 -4.939 1.00 0.00 C ATOM 531 O ASN A 35 -4.391 5.497 -3.741 1.00 0.00 O ATOM 532 CB ASN A 35 -5.150 8.126 -5.370 1.00 0.00 C ATOM 533 CG ASN A 35 -4.653 9.545 -5.552 1.00 0.00 C ATOM 534 OD1 ASN A 35 -3.797 10.016 -4.803 1.00 0.00 O ATOM 535 ND2 ASN A 35 -5.187 10.234 -6.552 1.00 0.00 N ATOM 0 H ASN A 35 -4.007 6.251 -7.419 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.171 7.411 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.916 7.914 -6.116 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.622 8.032 -4.392 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.891 11.195 -6.725 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.894 9.803 -7.148 1.00 0.00 H new ATOM 542 N GLY A 36 -5.016 4.906 -5.813 1.00 0.00 N ATOM 543 CA GLY A 36 -5.485 3.605 -5.381 1.00 0.00 C ATOM 544 C GLY A 36 -6.208 2.846 -6.475 1.00 0.00 C ATOM 545 O GLY A 36 -5.798 1.746 -6.844 1.00 0.00 O ATOM 0 H GLY A 36 -5.118 5.092 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.636 3.015 -5.036 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.154 3.730 -4.529 1.00 0.00 H new ATOM 549 N ASN A 37 -7.288 3.429 -6.995 1.00 0.00 N ATOM 550 CA ASN A 37 -8.066 2.786 -8.050 1.00 0.00 C ATOM 551 C ASN A 37 -7.154 2.276 -9.154 1.00 0.00 C ATOM 552 O ASN A 37 -7.436 1.257 -9.786 1.00 0.00 O ATOM 553 CB ASN A 37 -9.112 3.749 -8.615 1.00 0.00 C ATOM 554 CG ASN A 37 -10.531 3.265 -8.372 1.00 0.00 C ATOM 555 OD1 ASN A 37 -11.356 3.244 -9.285 1.00 0.00 O ATOM 556 ND2 ASN A 37 -10.821 2.874 -7.134 1.00 0.00 N ATOM 0 H ASN A 37 -7.641 4.340 -6.704 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.588 1.933 -7.617 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.982 4.731 -8.160 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.950 3.870 -9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.759 2.540 -6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.106 2.908 -6.408 1.00 0.00 H new ATOM 563 N GLU A 38 -6.047 2.973 -9.364 1.00 0.00 N ATOM 564 CA GLU A 38 -5.082 2.566 -10.369 1.00 0.00 C ATOM 565 C GLU A 38 -4.545 1.179 -10.028 1.00 0.00 C ATOM 566 O GLU A 38 -4.644 0.254 -10.835 1.00 0.00 O ATOM 567 CB GLU A 38 -3.935 3.567 -10.438 1.00 0.00 C ATOM 568 CG GLU A 38 -3.802 4.271 -11.779 1.00 0.00 C ATOM 569 CD GLU A 38 -2.841 3.563 -12.713 1.00 0.00 C ATOM 570 OE1 GLU A 38 -1.616 3.655 -12.486 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.312 2.915 -13.672 1.00 0.00 O ATOM 0 H GLU A 38 -5.797 3.820 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.573 2.534 -11.342 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.074 4.317 -9.659 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.002 3.049 -10.218 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.782 4.334 -12.251 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.460 5.293 -11.617 1.00 0.00 H new ATOM 578 N VAL A 39 -3.986 1.030 -8.821 1.00 0.00 N ATOM 579 CA VAL A 39 -3.458 -0.267 -8.396 1.00 0.00 C ATOM 580 C VAL A 39 -4.518 -1.353 -8.534 1.00 0.00 C ATOM 581 O VAL A 39 -4.233 -2.455 -8.991 1.00 0.00 O ATOM 582 CB VAL A 39 -2.973 -0.252 -6.937 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.118 -1.473 -6.651 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.209 1.019 -6.629 1.00 0.00 C ATOM 0 H VAL A 39 -3.889 1.778 -8.134 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.609 -0.477 -9.047 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.849 -0.281 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.783 -1.448 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.705 -2.376 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.252 -1.474 -7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.878 1.002 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.341 1.090 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.857 1.881 -6.789 1.00 0.00 H new ATOM 594 N LEU A 40 -5.745 -1.030 -8.134 1.00 0.00 N ATOM 595 CA LEU A 40 -6.850 -1.980 -8.214 1.00 0.00 C ATOM 596 C LEU A 40 -6.987 -2.529 -9.628 1.00 0.00 C ATOM 597 O LEU A 40 -7.178 -3.729 -9.824 1.00 0.00 O ATOM 598 CB LEU A 40 -8.164 -1.315 -7.796 1.00 0.00 C ATOM 599 CG LEU A 40 -8.094 -0.439 -6.545 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.486 0.023 -6.150 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.439 -1.192 -5.399 1.00 0.00 C ATOM 0 H LEU A 40 -5.999 -0.119 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.633 -2.803 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.521 -0.704 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.908 -2.094 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.485 0.437 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.423 0.646 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.923 0.600 -6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.112 -0.845 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.399 -0.551 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.020 -2.086 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.427 -1.480 -5.684 1.00 0.00 H new ATOM 613 N ALA A 41 -6.886 -1.641 -10.611 1.00 0.00 N ATOM 614 CA ALA A 41 -6.998 -2.034 -12.008 1.00 0.00 C ATOM 615 C ALA A 41 -5.870 -2.971 -12.400 1.00 0.00 C ATOM 616 O ALA A 41 -6.099 -4.043 -12.961 1.00 0.00 O ATOM 617 CB ALA A 41 -7.005 -0.808 -12.906 1.00 0.00 C ATOM 0 H ALA A 41 -6.727 -0.644 -10.465 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.941 -2.565 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.089 -1.120 -13.947 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.852 -0.173 -12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.078 -0.251 -12.768 1.00 0.00 H new ATOM 623 N ALA A 42 -4.653 -2.560 -12.091 1.00 0.00 N ATOM 624 CA ALA A 42 -3.475 -3.357 -12.396 1.00 0.00 C ATOM 625 C ALA A 42 -3.456 -4.624 -11.554 1.00 0.00 C ATOM 626 O ALA A 42 -2.923 -5.654 -11.966 1.00 0.00 O ATOM 627 CB ALA A 42 -2.209 -2.546 -12.160 1.00 0.00 C ATOM 0 H ALA A 42 -4.453 -1.674 -11.627 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.515 -3.641 -13.448 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.337 -3.157 -12.393 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.217 -1.665 -12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.166 -2.235 -11.116 1.00 0.00 H new ATOM 633 N LEU A 43 -4.043 -4.532 -10.368 1.00 0.00 N ATOM 634 CA LEU A 43 -4.105 -5.656 -9.451 1.00 0.00 C ATOM 635 C LEU A 43 -4.967 -6.779 -10.018 1.00 0.00 C ATOM 636 O LEU A 43 -4.800 -7.944 -9.660 1.00 0.00 O ATOM 637 CB LEU A 43 -4.659 -5.200 -8.099 1.00 0.00 C ATOM 638 CG LEU A 43 -3.611 -4.792 -7.072 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.269 -4.082 -5.899 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.855 -6.017 -6.594 1.00 0.00 C ATOM 0 H LEU A 43 -4.486 -3.682 -10.019 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.094 -6.040 -9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.329 -4.357 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.260 -6.007 -7.680 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.907 -4.103 -7.538 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.508 -3.796 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.783 -3.190 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.988 -4.751 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.107 -5.719 -5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.552 -6.720 -6.137 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.362 -6.494 -7.441 1.00 0.00 H new ATOM 652 N ALA A 44 -5.890 -6.419 -10.898 1.00 0.00 N ATOM 653 CA ALA A 44 -6.780 -7.395 -11.513 1.00 0.00 C ATOM 654 C ALA A 44 -5.998 -8.428 -12.322 1.00 0.00 C ATOM 655 O ALA A 44 -6.507 -9.509 -12.620 1.00 0.00 O ATOM 656 CB ALA A 44 -7.805 -6.694 -12.392 1.00 0.00 C ATOM 0 H ALA A 44 -6.043 -5.458 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.302 -7.924 -10.716 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.463 -7.435 -12.845 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.395 -6.007 -11.786 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.292 -6.137 -13.176 1.00 0.00 H new ATOM 662 N SER A 45 -4.762 -8.089 -12.678 1.00 0.00 N ATOM 663 CA SER A 45 -3.918 -8.982 -13.454 1.00 0.00 C ATOM 664 C SER A 45 -2.640 -9.356 -12.702 1.00 0.00 C ATOM 665 O SER A 45 -1.826 -10.131 -13.204 1.00 0.00 O ATOM 666 CB SER A 45 -3.558 -8.341 -14.795 1.00 0.00 C ATOM 667 OG SER A 45 -2.545 -9.078 -15.459 1.00 0.00 O ATOM 0 H SER A 45 -4.325 -7.199 -12.439 1.00 0.00 H new ATOM 0 HA SER A 45 -4.486 -9.896 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.445 -8.288 -15.426 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.220 -7.317 -14.633 1.00 0.00 H new ATOM 0 HG SER A 45 -2.207 -9.779 -14.863 1.00 0.00 H new ATOM 673 N LYS A 46 -2.460 -8.806 -11.501 1.00 0.00 N ATOM 674 CA LYS A 46 -1.274 -9.097 -10.709 1.00 0.00 C ATOM 675 C LYS A 46 -1.478 -8.704 -9.251 1.00 0.00 C ATOM 676 O LYS A 46 -2.327 -7.876 -8.932 1.00 0.00 O ATOM 677 CB LYS A 46 -0.063 -8.358 -11.276 1.00 0.00 C ATOM 678 CG LYS A 46 1.206 -9.192 -11.298 1.00 0.00 C ATOM 679 CD LYS A 46 2.330 -8.521 -10.522 1.00 0.00 C ATOM 680 CE LYS A 46 3.621 -8.490 -11.321 1.00 0.00 C ATOM 681 NZ LYS A 46 4.800 -8.219 -10.456 1.00 0.00 N ATOM 0 H LYS A 46 -3.117 -8.162 -11.061 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.096 -10.171 -10.756 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.290 -8.031 -12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.113 -7.460 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.004 -10.174 -10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.520 -9.351 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.037 -7.503 -10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.494 -9.053 -9.585 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.756 -9.444 -11.831 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.552 -7.723 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.621 -8.749 -10.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.013 -7.201 -10.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.592 -8.517 -9.482 1.00 0.00 H new ATOM 695 N THR A 47 -0.683 -9.297 -8.368 1.00 0.00 N ATOM 696 CA THR A 47 -0.768 -9.000 -6.950 1.00 0.00 C ATOM 697 C THR A 47 0.626 -8.905 -6.329 1.00 0.00 C ATOM 698 O THR A 47 1.327 -9.908 -6.220 1.00 0.00 O ATOM 699 CB THR A 47 -1.588 -10.071 -6.226 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.926 -10.077 -6.690 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.625 -9.891 -4.721 1.00 0.00 C ATOM 0 H THR A 47 0.027 -9.987 -8.613 1.00 0.00 H new ATOM 0 HA THR A 47 -1.265 -8.037 -6.838 1.00 0.00 H new ATOM 0 HB THR A 47 -1.086 -11.013 -6.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.538 -10.104 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.223 -10.685 -4.274 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.611 -9.934 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.068 -8.924 -4.481 1.00 0.00 H new ATOM 709 N PRO A 48 1.047 -7.702 -5.894 1.00 0.00 N ATOM 710 CA PRO A 48 2.359 -7.520 -5.271 1.00 0.00 C ATOM 711 C PRO A 48 2.402 -8.142 -3.880 1.00 0.00 C ATOM 712 O PRO A 48 1.363 -8.444 -3.297 1.00 0.00 O ATOM 713 CB PRO A 48 2.510 -6.002 -5.189 1.00 0.00 C ATOM 714 CG PRO A 48 1.113 -5.489 -5.137 1.00 0.00 C ATOM 715 CD PRO A 48 0.288 -6.437 -5.964 1.00 0.00 C ATOM 0 HA PRO A 48 3.160 -8.000 -5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.074 -5.707 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.045 -5.609 -6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.750 -5.451 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.055 -4.475 -5.533 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.719 -6.550 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.183 -6.088 -6.991 1.00 0.00 H new ATOM 723 N ASP A 49 3.604 -8.329 -3.345 1.00 0.00 N ATOM 724 CA ASP A 49 3.753 -8.910 -2.016 1.00 0.00 C ATOM 725 C ASP A 49 3.380 -7.893 -0.941 1.00 0.00 C ATOM 726 O ASP A 49 3.009 -8.259 0.174 1.00 0.00 O ATOM 727 CB ASP A 49 5.186 -9.404 -1.802 1.00 0.00 C ATOM 728 CG ASP A 49 5.480 -10.674 -2.575 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.792 -10.579 -3.780 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.397 -11.767 -1.975 1.00 0.00 O ATOM 0 H ASP A 49 4.482 -8.089 -3.806 1.00 0.00 H new ATOM 0 HA ASP A 49 3.077 -9.761 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.885 -8.626 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.351 -9.582 -0.739 1.00 0.00 H new ATOM 735 N VAL A 50 3.481 -6.612 -1.288 1.00 0.00 N ATOM 736 CA VAL A 50 3.156 -5.540 -0.366 1.00 0.00 C ATOM 737 C VAL A 50 2.533 -4.373 -1.134 1.00 0.00 C ATOM 738 O VAL A 50 2.654 -4.306 -2.358 1.00 0.00 O ATOM 739 CB VAL A 50 4.416 -5.080 0.390 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.484 -4.629 -0.586 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.086 -3.984 1.383 1.00 0.00 C ATOM 0 H VAL A 50 3.788 -6.296 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 50 2.436 -5.906 0.367 1.00 0.00 H new ATOM 0 HB VAL A 50 4.805 -5.928 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.368 -4.307 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.748 -5.457 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.105 -3.798 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.994 -3.678 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.665 -3.129 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.361 -4.355 2.107 1.00 0.00 H new ATOM 751 N LEU A 51 1.845 -3.473 -0.436 1.00 0.00 N ATOM 752 CA LEU A 51 1.197 -2.348 -1.110 1.00 0.00 C ATOM 753 C LEU A 51 1.050 -1.133 -0.196 1.00 0.00 C ATOM 754 O LEU A 51 1.028 -1.255 1.029 1.00 0.00 O ATOM 755 CB LEU A 51 -0.178 -2.780 -1.631 1.00 0.00 C ATOM 756 CG LEU A 51 -0.880 -1.781 -2.556 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.061 -1.542 -3.815 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.274 -2.281 -2.914 1.00 0.00 C ATOM 0 H LEU A 51 1.722 -3.497 0.576 1.00 0.00 H new ATOM 0 HA LEU A 51 1.835 -2.052 -1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.064 -3.724 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.826 -2.973 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.974 -0.833 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.579 -0.829 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.916 -1.142 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.068 -2.483 -4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.761 -1.561 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.196 -3.242 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.863 -2.398 -2.005 1.00 0.00 H new ATOM 770 N LEU A 52 0.952 0.039 -0.819 1.00 0.00 N ATOM 771 CA LEU A 52 0.810 1.305 -0.103 1.00 0.00 C ATOM 772 C LEU A 52 -0.227 2.187 -0.807 1.00 0.00 C ATOM 773 O LEU A 52 -0.060 2.498 -1.981 1.00 0.00 O ATOM 774 CB LEU A 52 2.156 2.029 -0.080 1.00 0.00 C ATOM 775 CG LEU A 52 3.022 1.810 1.156 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.497 1.857 0.780 1.00 0.00 C ATOM 777 CD2 LEU A 52 2.710 2.857 2.211 1.00 0.00 C ATOM 0 H LEU A 52 0.969 0.138 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 52 0.481 1.105 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.726 1.719 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.971 3.098 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 52 2.800 0.826 1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.105 1.699 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.712 1.075 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.732 2.830 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.336 2.688 3.087 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.910 3.850 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.660 2.785 2.495 1.00 0.00 H new ATOM 789 N SER A 53 -1.296 2.578 -0.106 1.00 0.00 N ATOM 790 CA SER A 53 -2.348 3.405 -0.717 1.00 0.00 C ATOM 791 C SER A 53 -2.301 4.863 -0.249 1.00 0.00 C ATOM 792 O SER A 53 -2.096 5.142 0.933 1.00 0.00 O ATOM 793 CB SER A 53 -3.727 2.811 -0.412 1.00 0.00 C ATOM 794 OG SER A 53 -4.426 2.490 -1.605 1.00 0.00 O ATOM 0 H SER A 53 -1.457 2.340 0.873 1.00 0.00 H new ATOM 0 HA SER A 53 -2.168 3.403 -1.792 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.612 1.914 0.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.310 3.522 0.174 1.00 0.00 H new ATOM 0 HG SER A 53 -5.301 2.111 -1.379 1.00 0.00 H new ATOM 800 N ASP A 54 -2.513 5.789 -1.194 1.00 0.00 N ATOM 801 CA ASP A 54 -2.512 7.222 -0.889 1.00 0.00 C ATOM 802 C ASP A 54 -3.727 7.603 -0.061 1.00 0.00 C ATOM 803 O ASP A 54 -3.743 8.653 0.580 1.00 0.00 O ATOM 804 CB ASP A 54 -2.499 8.070 -2.165 1.00 0.00 C ATOM 805 CG ASP A 54 -2.299 9.542 -1.855 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.952 9.860 -0.696 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.486 10.374 -2.766 1.00 0.00 O ATOM 0 H ASP A 54 -2.687 5.569 -2.175 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.604 7.421 -0.320 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.702 7.725 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.438 7.935 -2.702 1.00 0.00 H new ATOM 812 N ILE A 55 -4.743 6.749 -0.089 1.00 0.00 N ATOM 813 CA ILE A 55 -5.972 6.984 0.655 1.00 0.00 C ATOM 814 C ILE A 55 -6.473 8.417 0.476 1.00 0.00 C ATOM 815 O ILE A 55 -6.373 9.245 1.380 1.00 0.00 O ATOM 816 CB ILE A 55 -5.784 6.659 2.150 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.068 6.926 2.942 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.618 7.442 2.740 1.00 0.00 C ATOM 819 CD1 ILE A 55 -6.895 6.746 4.434 1.00 0.00 C ATOM 0 H ILE A 55 -4.738 5.881 -0.624 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.730 6.313 0.250 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.554 5.596 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.406 7.943 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.851 6.255 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.509 7.193 3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.701 7.184 2.210 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.808 8.510 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.840 6.950 4.937 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.586 5.722 4.644 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.134 7.436 4.798 1.00 0.00 H new ATOM 831 N ARG A 56 -7.019 8.692 -0.704 1.00 0.00 N ATOM 832 CA ARG A 56 -7.548 10.013 -1.025 1.00 0.00 C ATOM 833 C ARG A 56 -7.955 10.083 -2.495 1.00 0.00 C ATOM 834 O ARG A 56 -7.251 10.672 -3.316 1.00 0.00 O ATOM 835 CB ARG A 56 -6.505 11.091 -0.709 1.00 0.00 C ATOM 836 CG ARG A 56 -6.981 12.124 0.302 1.00 0.00 C ATOM 837 CD ARG A 56 -6.406 13.501 0.010 1.00 0.00 C ATOM 838 NE ARG A 56 -7.455 14.493 -0.222 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.767 15.469 0.632 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.125 15.593 1.788 1.00 0.00 N ATOM 841 NH2 ARG A 56 -8.732 16.325 0.326 1.00 0.00 N ATOM 0 H ARG A 56 -7.107 8.012 -1.459 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.433 10.191 -0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.603 10.611 -0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.230 11.600 -1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.070 12.173 0.287 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.690 11.813 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.784 13.819 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.759 13.446 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.982 14.435 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.383 14.937 2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.374 16.344 2.432 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.232 16.235 -0.559 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.975 17.073 0.975 1.00 0.00 H new ATOM 855 N MET A 57 -9.090 9.469 -2.828 1.00 0.00 N ATOM 856 CA MET A 57 -9.570 9.466 -4.209 1.00 0.00 C ATOM 857 C MET A 57 -11.052 9.084 -4.319 1.00 0.00 C ATOM 858 O MET A 57 -11.859 9.866 -4.816 1.00 0.00 O ATOM 859 CB MET A 57 -8.720 8.517 -5.059 1.00 0.00 C ATOM 860 CG MET A 57 -8.238 9.138 -6.360 1.00 0.00 C ATOM 861 SD MET A 57 -9.583 9.466 -7.514 1.00 0.00 S ATOM 862 CE MET A 57 -9.347 11.214 -7.817 1.00 0.00 C ATOM 0 H MET A 57 -9.689 8.972 -2.168 1.00 0.00 H new ATOM 0 HA MET A 57 -9.473 10.485 -4.583 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.856 8.195 -4.477 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.302 7.624 -5.285 1.00 0.00 H new ATOM 0 HG2 MET A 57 -7.717 10.070 -6.142 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.515 8.471 -6.830 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.106 11.568 -8.515 1.00 0.00 H new ATOM 0 HE2 MET A 57 -9.434 11.761 -6.878 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.357 11.379 -8.242 1.00 0.00 H new ATOM 872 N PRO A 58 -11.432 7.863 -3.885 1.00 0.00 N ATOM 873 CA PRO A 58 -12.824 7.388 -3.975 1.00 0.00 C ATOM 874 C PRO A 58 -13.776 8.098 -3.018 1.00 0.00 C ATOM 875 O PRO A 58 -13.429 9.103 -2.401 1.00 0.00 O ATOM 876 CB PRO A 58 -12.718 5.914 -3.598 1.00 0.00 C ATOM 877 CG PRO A 58 -11.520 5.845 -2.725 1.00 0.00 C ATOM 878 CD PRO A 58 -10.547 6.837 -3.298 1.00 0.00 C ATOM 0 HA PRO A 58 -13.237 7.577 -4.966 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.611 5.572 -3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.604 5.285 -4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.771 6.093 -1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.097 4.840 -2.718 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.897 7.256 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.901 6.382 -4.049 1.00 0.00 H new ATOM 886 N GLY A 59 -14.987 7.552 -2.908 1.00 0.00 N ATOM 887 CA GLY A 59 -15.992 8.121 -2.032 1.00 0.00 C ATOM 888 C GLY A 59 -15.536 8.182 -0.589 1.00 0.00 C ATOM 889 O GLY A 59 -15.485 9.259 0.003 1.00 0.00 O ATOM 0 H GLY A 59 -15.288 6.720 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.241 9.126 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.904 7.527 -2.097 1.00 0.00 H new ATOM 893 N MET A 60 -15.192 7.029 -0.022 1.00 0.00 N ATOM 894 CA MET A 60 -14.726 6.967 1.361 1.00 0.00 C ATOM 895 C MET A 60 -13.306 7.518 1.466 1.00 0.00 C ATOM 896 O MET A 60 -12.406 6.866 2.005 1.00 0.00 O ATOM 897 CB MET A 60 -14.782 5.527 1.877 1.00 0.00 C ATOM 898 CG MET A 60 -15.627 5.369 3.131 1.00 0.00 C ATOM 899 SD MET A 60 -17.217 4.582 2.806 1.00 0.00 S ATOM 900 CE MET A 60 -18.345 5.916 3.202 1.00 0.00 C ATOM 0 H MET A 60 -15.227 6.127 -0.497 1.00 0.00 H new ATOM 0 HA MET A 60 -15.382 7.581 1.979 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.183 4.883 1.094 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.769 5.183 2.085 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.077 4.778 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.796 6.350 3.576 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.352 5.647 2.884 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.339 6.091 4.278 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.031 6.823 2.685 1.00 0.00 H new ATOM 910 N ASP A 61 -13.123 8.722 0.928 1.00 0.00 N ATOM 911 CA ASP A 61 -11.832 9.392 0.924 1.00 0.00 C ATOM 912 C ASP A 61 -10.785 8.515 0.263 1.00 0.00 C ATOM 913 O ASP A 61 -10.453 8.696 -0.903 1.00 0.00 O ATOM 914 CB ASP A 61 -11.399 9.747 2.346 1.00 0.00 C ATOM 915 CG ASP A 61 -11.516 11.231 2.633 1.00 0.00 C ATOM 916 OD1 ASP A 61 -10.775 12.017 2.007 1.00 0.00 O ATOM 917 OD2 ASP A 61 -12.349 11.606 3.486 1.00 0.00 O ATOM 0 H ASP A 61 -13.868 9.258 0.483 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.930 10.316 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.011 9.193 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.367 9.431 2.498 1.00 0.00 H new ATOM 922 N GLY A 62 -10.278 7.559 1.019 1.00 0.00 N ATOM 923 CA GLY A 62 -9.278 6.657 0.500 1.00 0.00 C ATOM 924 C GLY A 62 -9.440 5.252 1.031 1.00 0.00 C ATOM 925 O GLY A 62 -9.134 4.281 0.337 1.00 0.00 O ATOM 0 H GLY A 62 -10.543 7.391 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.337 6.640 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.287 7.029 0.760 1.00 0.00 H new ATOM 929 N LEU A 63 -9.927 5.138 2.263 1.00 0.00 N ATOM 930 CA LEU A 63 -10.127 3.834 2.868 1.00 0.00 C ATOM 931 C LEU A 63 -10.981 2.960 1.954 1.00 0.00 C ATOM 932 O LEU A 63 -10.903 1.733 2.006 1.00 0.00 O ATOM 933 CB LEU A 63 -10.761 3.949 4.261 1.00 0.00 C ATOM 934 CG LEU A 63 -10.050 4.891 5.244 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.615 6.301 5.158 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.163 4.360 6.668 1.00 0.00 C ATOM 0 H LEU A 63 -10.187 5.928 2.854 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.151 3.366 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.791 4.287 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.800 2.954 4.705 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.996 4.932 4.968 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.093 6.946 5.865 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.480 6.686 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.678 6.283 5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.654 5.040 7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.214 4.286 6.946 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.702 3.374 6.726 1.00 0.00 H new ATOM 948 N ALA A 64 -11.779 3.601 1.097 1.00 0.00 N ATOM 949 CA ALA A 64 -12.616 2.871 0.157 1.00 0.00 C ATOM 950 C ALA A 64 -11.748 2.033 -0.786 1.00 0.00 C ATOM 951 O ALA A 64 -12.135 0.938 -1.194 1.00 0.00 O ATOM 952 CB ALA A 64 -13.492 3.837 -0.631 1.00 0.00 C ATOM 0 H ALA A 64 -11.860 4.616 1.038 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.266 2.197 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.113 3.277 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.130 4.393 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.861 4.533 -1.183 1.00 0.00 H new ATOM 958 N LEU A 65 -10.566 2.556 -1.116 1.00 0.00 N ATOM 959 CA LEU A 65 -9.632 1.860 -1.998 1.00 0.00 C ATOM 960 C LEU A 65 -9.225 0.523 -1.403 1.00 0.00 C ATOM 961 O LEU A 65 -8.979 -0.446 -2.123 1.00 0.00 O ATOM 962 CB LEU A 65 -8.383 2.712 -2.235 1.00 0.00 C ATOM 963 CG LEU A 65 -8.646 4.076 -2.863 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.503 5.033 -2.566 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.862 3.939 -4.362 1.00 0.00 C ATOM 0 H LEU A 65 -10.234 3.461 -0.784 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.135 1.687 -2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.875 2.859 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.700 2.158 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.554 4.488 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.710 6.001 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.402 5.155 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.576 4.630 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.048 4.922 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.973 3.504 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.719 3.292 -4.548 1.00 0.00 H new ATOM 977 N LEU A 66 -9.163 0.474 -0.080 1.00 0.00 N ATOM 978 CA LEU A 66 -8.796 -0.746 0.617 1.00 0.00 C ATOM 979 C LEU A 66 -9.884 -1.786 0.419 1.00 0.00 C ATOM 980 O LEU A 66 -9.609 -2.958 0.159 1.00 0.00 O ATOM 981 CB LEU A 66 -8.578 -0.460 2.100 1.00 0.00 C ATOM 982 CG LEU A 66 -7.256 0.244 2.420 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.406 1.751 2.291 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.770 -0.130 3.811 1.00 0.00 C ATOM 0 H LEU A 66 -9.363 1.266 0.531 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.862 -1.133 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.401 0.155 2.464 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.617 -1.401 2.649 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.510 -0.088 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.456 2.232 2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.701 2.001 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.169 2.102 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.830 0.381 4.018 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.515 0.168 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.617 -1.208 3.865 1.00 0.00 H new ATOM 996 N LYS A 67 -11.126 -1.330 0.522 1.00 0.00 N ATOM 997 CA LYS A 67 -12.284 -2.195 0.332 1.00 0.00 C ATOM 998 C LYS A 67 -12.206 -2.912 -1.015 1.00 0.00 C ATOM 999 O LYS A 67 -12.516 -4.095 -1.121 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.568 -1.371 0.402 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.678 -0.519 1.656 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.039 0.154 1.756 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.731 -0.172 3.070 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.173 -0.484 2.874 1.00 0.00 N ATOM 0 H LYS A 67 -11.358 -0.360 0.737 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.289 -2.942 1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.622 -0.723 -0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.424 -2.044 0.354 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.513 -1.141 2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.895 0.240 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.919 1.234 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.666 -0.168 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.236 -1.022 3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.631 0.672 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.609 -0.701 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.651 0.336 2.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.268 -1.305 2.243 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.790 -2.182 -2.045 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.670 -2.746 -3.388 1.00 0.00 C ATOM 1020 C GLN A 68 -10.627 -3.858 -3.425 1.00 0.00 C ATOM 1021 O GLN A 68 -10.834 -4.898 -4.050 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.269 -1.663 -4.394 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.362 -0.654 -4.707 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.508 -1.262 -5.490 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -13.315 -2.186 -6.278 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.711 -0.742 -5.276 1.00 0.00 N ATOM 0 H GLN A 68 -11.530 -1.198 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.644 -3.156 -3.656 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.401 -1.130 -4.007 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.960 -2.144 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.744 -0.237 -3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.936 0.173 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.825 0.024 -4.613 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.521 -1.109 -5.775 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.495 -3.621 -2.768 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.405 -4.588 -2.740 1.00 0.00 C ATOM 1037 C ILE A 69 -8.793 -5.852 -1.985 1.00 0.00 C ATOM 1038 O ILE A 69 -8.393 -6.954 -2.355 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.133 -3.986 -2.111 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.811 -2.638 -2.755 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.957 -4.941 -2.262 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.248 -1.629 -1.780 1.00 0.00 C ATOM 0 H ILE A 69 -9.310 -2.764 -2.247 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.197 -4.850 -3.777 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.314 -3.831 -1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.095 -2.791 -3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.717 -2.232 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.069 -4.498 -1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.186 -5.882 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.773 -5.127 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.041 -0.695 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.972 -1.448 -0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.324 -2.016 -1.349 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.572 -5.689 -0.930 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.010 -6.824 -0.133 1.00 0.00 C ATOM 1056 C LYS A 70 -11.073 -7.627 -0.869 1.00 0.00 C ATOM 1057 O LYS A 70 -11.209 -8.833 -0.665 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.554 -6.359 1.215 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.821 -5.531 1.107 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.846 -5.945 2.146 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.860 -6.916 1.567 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.196 -8.003 2.527 1.00 0.00 N ATOM 0 H LYS A 70 -9.914 -4.785 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.144 -7.464 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.752 -7.231 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.789 -5.772 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.579 -4.476 1.233 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.246 -5.643 0.110 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.341 -6.407 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.360 -5.062 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.768 -6.376 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.464 -7.351 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.891 -8.645 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.334 -8.535 2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.598 -7.590 3.393 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.825 -6.947 -1.723 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.879 -7.588 -2.489 1.00 0.00 C ATOM 1078 C GLN A 71 -12.272 -8.457 -3.585 1.00 0.00 C ATOM 1079 O GLN A 71 -12.796 -9.521 -3.913 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.830 -6.519 -3.053 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.490 -6.869 -4.384 1.00 0.00 C ATOM 1082 CD GLN A 71 -14.346 -5.762 -5.409 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -15.269 -5.491 -6.178 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -13.186 -5.114 -5.426 1.00 0.00 N ATOM 0 H GLN A 71 -11.722 -5.948 -1.902 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.464 -8.243 -1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -14.612 -6.328 -2.318 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.274 -5.590 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -14.047 -7.784 -4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.548 -7.073 -4.219 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.448 -5.372 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.033 -4.359 -6.095 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.157 -7.998 -4.131 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.454 -8.731 -5.179 1.00 0.00 C ATOM 1095 C ARG A 72 -9.377 -9.613 -4.572 1.00 0.00 C ATOM 1096 O ARG A 72 -9.386 -10.834 -4.723 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.829 -7.763 -6.184 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.703 -7.493 -7.396 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.500 -6.083 -7.923 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.761 -5.469 -8.334 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.010 -4.163 -8.268 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -11.086 -3.322 -7.820 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -13.190 -3.698 -8.654 1.00 0.00 N ATOM 0 H ARG A 72 -10.716 -7.117 -3.866 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.175 -9.360 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.617 -6.819 -5.682 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.874 -8.167 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.472 -8.213 -8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.750 -7.636 -7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.032 -5.471 -7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.815 -6.107 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.495 -6.079 -8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.176 -3.675 -7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.286 -2.323 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.903 -4.340 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.385 -2.698 -8.605 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.459 -8.972 -3.875 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.359 -9.663 -3.214 1.00 0.00 C ATOM 1119 C HIS A 73 -7.514 -9.580 -1.701 1.00 0.00 C ATOM 1120 O HIS A 73 -6.952 -8.694 -1.060 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.024 -9.056 -3.639 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.905 -8.894 -5.120 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.810 -9.962 -5.983 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -5.895 -7.783 -5.892 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.750 -9.518 -7.224 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -5.803 -8.198 -7.200 1.00 0.00 N ATOM 0 H HIS A 73 -8.451 -7.960 -3.749 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.379 -10.712 -3.510 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.904 -8.084 -3.161 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.212 -9.689 -3.281 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.789 -10.944 -5.706 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -5.949 -6.761 -5.546 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.671 -10.130 -8.110 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.291 -10.504 -1.111 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.532 -10.531 0.337 1.00 0.00 C ATOM 1137 C PRO A 74 -7.309 -10.964 1.145 1.00 0.00 C ATOM 1138 O PRO A 74 -7.441 -11.394 2.291 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.655 -11.558 0.489 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.516 -12.453 -0.693 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.009 -11.587 -1.812 1.00 0.00 C ATOM 0 HA PRO A 74 -8.776 -9.539 0.717 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.558 -12.115 1.421 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.632 -11.076 0.507 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.823 -13.268 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.472 -12.907 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.348 -12.140 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.826 -11.199 -2.421 1.00 0.00 H new ATOM 1149 N MET A 75 -6.123 -10.859 0.551 1.00 0.00 N ATOM 1150 CA MET A 75 -4.896 -11.252 1.235 1.00 0.00 C ATOM 1151 C MET A 75 -3.717 -10.341 0.875 1.00 0.00 C ATOM 1152 O MET A 75 -2.603 -10.552 1.358 1.00 0.00 O ATOM 1153 CB MET A 75 -4.565 -12.704 0.897 1.00 0.00 C ATOM 1154 CG MET A 75 -5.627 -13.681 1.370 1.00 0.00 C ATOM 1155 SD MET A 75 -5.343 -15.361 0.780 1.00 0.00 S ATOM 1156 CE MET A 75 -6.585 -15.480 -0.504 1.00 0.00 C ATOM 0 H MET A 75 -5.987 -10.507 -0.397 1.00 0.00 H new ATOM 0 HA MET A 75 -5.064 -11.151 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.444 -12.802 -0.182 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.609 -12.968 1.350 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.653 -13.683 2.460 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.605 -13.341 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.537 -16.466 -0.967 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.573 -15.331 -0.069 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.402 -14.715 -1.259 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.954 -9.334 0.033 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.898 -8.415 -0.363 1.00 0.00 C ATOM 1168 C LEU A 76 -2.584 -7.413 0.747 1.00 0.00 C ATOM 1169 O LEU A 76 -3.423 -6.579 1.090 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.270 -7.659 -1.637 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.214 -6.662 -2.111 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.097 -7.386 -2.843 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -2.842 -5.602 -2.997 1.00 0.00 C ATOM 0 H LEU A 76 -4.864 -9.139 -0.383 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.010 -9.018 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.453 -8.381 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.206 -7.126 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.787 -6.165 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.352 -6.663 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.630 -8.107 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.507 -7.908 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.075 -4.901 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.295 -6.077 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.608 -5.066 -2.436 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.367 -7.466 1.316 1.00 0.00 N ATOM 1186 CA PRO A 77 -0.954 -6.544 2.378 1.00 0.00 C ATOM 1187 C PRO A 77 -0.920 -5.095 1.893 1.00 0.00 C ATOM 1188 O PRO A 77 -0.200 -4.765 0.951 1.00 0.00 O ATOM 1189 CB PRO A 77 0.460 -7.016 2.747 1.00 0.00 C ATOM 1190 CG PRO A 77 0.575 -8.393 2.188 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.299 -8.416 0.968 1.00 0.00 C ATOM 0 HA PRO A 77 -1.648 -6.556 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.217 -6.356 2.325 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.605 -7.017 3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.609 -8.626 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 77 0.251 -9.138 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.244 -8.105 0.075 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.693 -9.413 0.771 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.706 -4.237 2.535 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.769 -2.829 2.161 1.00 0.00 C ATOM 1201 C VAL A 78 -1.252 -1.923 3.271 1.00 0.00 C ATOM 1202 O VAL A 78 -1.382 -2.228 4.458 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.208 -2.394 1.819 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.201 -1.080 1.054 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.926 -3.477 1.028 1.00 0.00 C ATOM 0 H VAL A 78 -2.309 -4.492 3.317 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.134 -2.727 1.281 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.751 -2.243 2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.225 -0.789 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.734 -0.307 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.639 -1.201 0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.939 -3.148 0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.387 -3.668 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.967 -4.392 1.619 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.682 -0.794 2.866 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.157 0.189 3.801 1.00 0.00 C ATOM 1217 C ILE A 79 -0.638 1.576 3.404 1.00 0.00 C ATOM 1218 O ILE A 79 -0.303 2.078 2.334 1.00 0.00 O ATOM 1219 CB ILE A 79 1.379 0.182 3.844 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.910 -1.243 3.993 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.880 1.050 4.984 1.00 0.00 C ATOM 1222 CD1 ILE A 79 3.099 -1.530 3.107 1.00 0.00 C ATOM 0 H ILE A 79 -0.572 -0.537 1.885 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.522 -0.074 4.794 1.00 0.00 H new ATOM 0 HB ILE A 79 1.748 0.590 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.190 -1.413 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.112 -1.948 3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.970 1.035 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.534 2.074 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.497 0.666 5.929 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.428 -2.558 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.817 -1.391 2.063 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.912 -0.848 3.357 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.450 2.179 4.249 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.001 3.491 3.951 1.00 0.00 C ATOM 1236 C ILE A 80 -1.163 4.623 4.541 1.00 0.00 C ATOM 1237 O ILE A 80 -0.683 4.538 5.668 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.455 3.583 4.446 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.202 2.291 4.106 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.147 4.768 3.813 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.127 1.928 2.638 1.00 0.00 C ATOM 0 H ILE A 80 -1.743 1.786 5.144 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.981 3.611 2.868 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.454 3.718 5.528 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.789 1.474 4.697 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.248 2.397 4.395 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.175 4.823 4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.620 5.683 4.082 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.146 4.654 2.729 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.676 1.003 2.463 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.566 2.728 2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.085 1.791 2.350 1.00 0.00 H new ATOM 1253 N MET A 81 -0.986 5.681 3.747 1.00 0.00 N ATOM 1254 CA MET A 81 -0.194 6.841 4.165 1.00 0.00 C ATOM 1255 C MET A 81 -1.019 7.845 4.974 1.00 0.00 C ATOM 1256 O MET A 81 -0.465 8.777 5.552 1.00 0.00 O ATOM 1257 CB MET A 81 0.444 7.549 2.963 1.00 0.00 C ATOM 1258 CG MET A 81 -0.294 7.385 1.645 1.00 0.00 C ATOM 1259 SD MET A 81 0.524 6.210 0.546 1.00 0.00 S ATOM 1260 CE MET A 81 2.126 6.989 0.359 1.00 0.00 C ATOM 0 H MET A 81 -1.381 5.759 2.810 1.00 0.00 H new ATOM 0 HA MET A 81 0.596 6.453 4.808 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.520 8.613 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.461 7.175 2.840 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.312 7.049 1.840 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.368 8.353 1.149 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.561 6.702 -0.598 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.010 8.072 0.394 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.783 6.668 1.167 1.00 0.00 H new ATOM 1270 N THR A 82 -2.332 7.653 5.028 1.00 0.00 N ATOM 1271 CA THR A 82 -3.202 8.549 5.790 1.00 0.00 C ATOM 1272 C THR A 82 -4.391 7.783 6.369 1.00 0.00 C ATOM 1273 O THR A 82 -4.634 6.639 6.007 1.00 0.00 O ATOM 1274 CB THR A 82 -3.697 9.701 4.909 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.654 10.188 4.083 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.237 10.871 5.703 1.00 0.00 C ATOM 0 H THR A 82 -2.818 6.890 4.557 1.00 0.00 H new ATOM 0 HA THR A 82 -2.621 8.965 6.613 1.00 0.00 H new ATOM 0 HB THR A 82 -4.507 9.280 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.016 10.425 3.204 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.571 11.652 5.019 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.077 10.540 6.313 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.453 11.265 6.349 1.00 0.00 H new ATOM 1284 N ALA A 83 -5.132 8.415 7.270 1.00 0.00 N ATOM 1285 CA ALA A 83 -6.295 7.771 7.877 1.00 0.00 C ATOM 1286 C ALA A 83 -7.437 8.764 8.109 1.00 0.00 C ATOM 1287 O ALA A 83 -8.586 8.360 8.281 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.914 7.100 9.184 1.00 0.00 C ATOM 0 H ALA A 83 -4.953 9.365 7.596 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.647 7.013 7.177 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.794 6.627 9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.151 6.345 8.996 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.523 7.846 9.876 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.104 10.057 8.113 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.075 11.138 8.328 1.00 0.00 C ATOM 1296 C HIS A 84 -9.322 10.661 9.083 1.00 0.00 C ATOM 1297 O HIS A 84 -9.305 10.553 10.310 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.457 11.798 6.995 1.00 0.00 C ATOM 1299 CG HIS A 84 -8.372 10.886 5.812 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.881 9.606 5.807 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -7.842 11.082 4.580 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.668 9.058 4.628 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.041 9.931 3.865 1.00 0.00 N ATOM 0 H HIS A 84 -6.150 10.387 7.967 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.591 11.884 8.959 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -9.474 12.182 7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.805 12.655 6.827 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -9.349 9.154 6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.354 11.979 4.228 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.959 8.060 4.335 1.00 0.00 H new ATOM 1312 N SER A 85 -10.403 10.377 8.354 1.00 0.00 N ATOM 1313 CA SER A 85 -11.642 9.919 8.971 1.00 0.00 C ATOM 1314 C SER A 85 -12.159 8.652 8.298 1.00 0.00 C ATOM 1315 O SER A 85 -11.522 8.111 7.392 1.00 0.00 O ATOM 1316 CB SER A 85 -12.705 11.015 8.894 1.00 0.00 C ATOM 1317 OG SER A 85 -12.423 12.065 9.803 1.00 0.00 O ATOM 0 H SER A 85 -10.442 10.457 7.338 1.00 0.00 H new ATOM 0 HA SER A 85 -11.431 9.690 10.016 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.751 11.411 7.879 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.685 10.592 9.115 1.00 0.00 H new ATOM 0 HG SER A 85 -13.117 12.754 9.733 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.322 8.184 8.744 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.933 6.982 8.185 1.00 0.00 C ATOM 1325 C ASP A 86 -13.038 5.764 8.391 1.00 0.00 C ATOM 1326 O ASP A 86 -13.034 4.839 7.579 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.222 7.176 6.695 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.327 6.266 6.196 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.116 5.035 6.169 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.403 6.784 5.829 1.00 0.00 O ATOM 0 H ASP A 86 -13.861 8.620 9.492 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.872 6.807 8.709 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.501 8.214 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.313 6.986 6.124 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.284 5.770 9.491 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.378 4.668 9.824 1.00 0.00 C ATOM 1337 C LEU A 87 -12.078 3.312 9.735 1.00 0.00 C ATOM 1338 O LEU A 87 -11.427 2.274 9.603 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.805 4.858 11.234 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.375 5.400 11.294 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.021 5.803 12.717 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.386 4.367 10.772 1.00 0.00 C ATOM 0 H LEU A 87 -12.283 6.530 10.171 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.569 4.681 9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.456 5.537 11.784 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.834 3.899 11.752 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.315 6.283 10.657 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.001 6.186 12.743 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.709 6.577 13.058 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.099 4.935 13.371 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.375 4.772 10.823 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.447 3.465 11.381 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.627 4.123 9.737 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.401 3.324 9.826 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.190 2.097 9.775 1.00 0.00 C ATOM 1356 C ASP A 88 -13.774 1.197 8.612 1.00 0.00 C ATOM 1357 O ASP A 88 -13.733 -0.025 8.754 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.677 2.437 9.654 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.305 2.781 10.990 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.843 3.748 11.630 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.260 2.085 11.396 1.00 0.00 O ATOM 0 H ASP A 88 -13.954 4.174 9.936 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.007 1.552 10.701 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.800 3.278 8.971 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.205 1.591 9.215 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.464 1.796 7.465 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.060 1.020 6.304 1.00 0.00 C ATOM 1368 C ALA A 89 -11.639 0.487 6.466 1.00 0.00 C ATOM 1369 O ALA A 89 -11.254 -0.486 5.816 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.196 1.846 5.036 1.00 0.00 C ATOM 0 H ALA A 89 -13.485 2.805 7.319 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.725 0.161 6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.889 1.248 4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.234 2.153 4.912 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.562 2.730 5.108 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.870 1.113 7.353 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.502 0.680 7.611 1.00 0.00 C ATOM 1378 C ALA A 90 -9.505 -0.644 8.363 1.00 0.00 C ATOM 1379 O ALA A 90 -8.567 -1.434 8.258 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.737 1.731 8.406 1.00 0.00 C ATOM 0 H ALA A 90 -11.170 1.918 7.902 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.001 0.546 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.720 1.383 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.708 2.663 7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.236 1.900 9.360 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.573 -0.879 9.124 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.700 -2.106 9.893 1.00 0.00 C ATOM 1388 C VAL A 91 -10.903 -3.307 8.979 1.00 0.00 C ATOM 1389 O VAL A 91 -10.312 -4.365 9.194 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.860 -2.034 10.900 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.777 -3.197 11.875 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.844 -0.704 11.642 1.00 0.00 C ATOM 0 H VAL A 91 -11.358 -0.235 9.221 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.768 -2.225 10.445 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.802 -2.104 10.356 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.603 -3.137 12.584 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.837 -4.137 11.326 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.831 -3.152 12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.672 -0.672 12.350 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.902 -0.599 12.181 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.946 0.113 10.927 1.00 0.00 H new ATOM 1402 N SER A 92 -11.726 -3.136 7.948 1.00 0.00 N ATOM 1403 CA SER A 92 -11.980 -4.211 6.998 1.00 0.00 C ATOM 1404 C SER A 92 -10.687 -4.602 6.295 1.00 0.00 C ATOM 1405 O SER A 92 -10.529 -5.734 5.841 1.00 0.00 O ATOM 1406 CB SER A 92 -13.024 -3.786 5.964 1.00 0.00 C ATOM 1407 OG SER A 92 -14.248 -3.438 6.586 1.00 0.00 O ATOM 0 H SER A 92 -12.225 -2.268 7.751 1.00 0.00 H new ATOM 0 HA SER A 92 -12.366 -5.070 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.649 -2.937 5.392 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.191 -4.598 5.256 1.00 0.00 H new ATOM 0 HG SER A 92 -14.897 -3.169 5.903 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.763 -3.652 6.209 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.485 -3.893 5.565 1.00 0.00 C ATOM 1415 C ALA A 93 -7.688 -4.948 6.317 1.00 0.00 C ATOM 1416 O ALA A 93 -7.142 -5.875 5.721 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.705 -2.595 5.452 1.00 0.00 C ATOM 0 H ALA A 93 -9.879 -2.708 6.579 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.668 -4.274 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.748 -2.787 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.274 -1.879 4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.532 -2.186 6.448 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.638 -4.814 7.631 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.920 -5.770 8.470 1.00 0.00 C ATOM 1425 C TYR A 94 -7.501 -7.170 8.304 1.00 0.00 C ATOM 1426 O TYR A 94 -6.824 -8.170 8.543 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.985 -5.356 9.941 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.741 -3.884 10.169 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.609 -3.259 9.660 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.645 -3.118 10.890 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.386 -1.911 9.865 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.430 -1.769 11.100 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.300 -1.171 10.584 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.085 0.173 10.787 1.00 0.00 O ATOM 0 H TYR A 94 -8.085 -4.054 8.144 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.877 -5.778 8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.965 -5.619 10.340 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.248 -5.929 10.503 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.892 -3.836 9.095 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.532 -3.584 11.294 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.501 -1.440 9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.143 -1.187 11.665 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.919 0.611 9.926 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.760 -7.228 7.886 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.439 -8.501 7.678 1.00 0.00 C ATOM 1446 C GLN A 95 -8.917 -9.169 6.411 1.00 0.00 C ATOM 1447 O GLN A 95 -8.778 -10.391 6.352 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.962 -8.278 7.613 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.718 -9.165 6.625 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.784 -8.395 5.874 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.969 -8.722 5.942 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.363 -7.363 5.152 1.00 0.00 N ATOM 0 H GLN A 95 -9.332 -6.408 7.684 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.232 -9.166 8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.377 -8.438 8.608 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.148 -7.236 7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.014 -9.598 5.914 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.179 -9.994 7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.370 -7.130 5.126 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.032 -6.804 4.623 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.633 -8.357 5.400 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.130 -8.859 4.134 1.00 0.00 C ATOM 1463 C GLN A 96 -6.621 -9.091 4.177 1.00 0.00 C ATOM 1464 O GLN A 96 -6.036 -9.575 3.212 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.479 -7.889 3.007 1.00 0.00 C ATOM 1466 CG GLN A 96 -7.644 -6.616 3.009 1.00 0.00 C ATOM 1467 CD GLN A 96 -6.898 -6.401 1.709 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -5.935 -7.105 1.410 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.336 -5.421 0.932 1.00 0.00 N ATOM 0 H GLN A 96 -8.744 -7.344 5.436 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.609 -9.820 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.349 -8.396 2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.533 -7.621 3.085 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.294 -5.761 3.195 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.929 -6.658 3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.139 -4.862 1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.870 -5.226 0.046 1.00 0.00 H new ATOM 1478 N GLY A 97 -5.992 -8.745 5.297 1.00 0.00 N ATOM 1479 CA GLY A 97 -4.559 -8.934 5.425 1.00 0.00 C ATOM 1480 C GLY A 97 -3.775 -7.641 5.310 1.00 0.00 C ATOM 1481 O GLY A 97 -2.566 -7.667 5.076 1.00 0.00 O ATOM 0 H GLY A 97 -6.447 -8.339 6.114 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.344 -9.397 6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.220 -9.627 4.655 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.450 -6.510 5.482 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.782 -5.217 5.402 1.00 0.00 C ATOM 1487 C ALA A 98 -2.706 -5.114 6.477 1.00 0.00 C ATOM 1488 O ALA A 98 -2.863 -5.656 7.571 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.789 -4.085 5.535 1.00 0.00 C ATOM 0 H ALA A 98 -5.450 -6.462 5.676 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.305 -5.130 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.271 -3.128 5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.522 -4.154 4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.297 -4.161 6.497 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.604 -4.440 6.162 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.509 -4.309 7.112 1.00 0.00 C ATOM 1497 C PHE A 99 -0.846 -3.349 8.247 1.00 0.00 C ATOM 1498 O PHE A 99 -0.723 -3.705 9.418 1.00 0.00 O ATOM 1499 CB PHE A 99 0.765 -3.836 6.413 1.00 0.00 C ATOM 1500 CG PHE A 99 1.980 -3.934 7.288 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.420 -5.165 7.746 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.677 -2.796 7.661 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.534 -5.259 8.559 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.793 -2.884 8.472 1.00 0.00 C ATOM 1505 CZ PHE A 99 4.222 -4.119 8.922 1.00 0.00 C ATOM 0 H PHE A 99 -1.448 -3.981 5.265 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.346 -5.299 7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.922 -4.431 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.636 -2.802 6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.887 -6.061 7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.344 -1.829 7.314 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.866 -6.225 8.910 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.329 -1.990 8.754 1.00 0.00 H new ATOM 0 HZ PHE A 99 5.093 -4.191 9.556 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.258 -2.130 7.902 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.592 -1.127 8.913 1.00 0.00 C ATOM 1517 C ASP A 100 -1.860 0.234 8.276 1.00 0.00 C ATOM 1518 O ASP A 100 -2.005 0.343 7.058 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.449 -1.008 9.927 1.00 0.00 C ATOM 1520 CG ASP A 100 0.897 -0.812 9.257 1.00 0.00 C ATOM 1521 OD1 ASP A 100 0.941 -0.153 8.197 1.00 0.00 O ATOM 1522 OD2 ASP A 100 1.906 -1.319 9.791 1.00 0.00 O ATOM 0 H ASP A 100 -1.368 -1.814 6.938 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.501 -1.450 9.421 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.645 -0.170 10.595 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.418 -1.906 10.543 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.918 1.273 9.109 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.162 2.630 8.630 1.00 0.00 C ATOM 1529 C TYR A 101 -1.068 3.576 9.109 1.00 0.00 C ATOM 1530 O TYR A 101 -0.887 3.782 10.309 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.534 3.129 9.095 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.623 2.923 8.075 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.182 1.669 7.853 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.091 3.989 7.323 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.176 1.491 6.913 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.082 3.817 6.385 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.624 2.568 6.184 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.618 2.395 5.255 1.00 0.00 O ATOM 0 H TYR A 101 -1.799 1.199 10.119 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.150 2.611 7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.807 2.614 10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.465 4.191 9.332 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.833 0.822 8.425 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.670 4.972 7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.600 0.511 6.750 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.434 4.659 5.808 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.721 3.216 4.729 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.340 4.144 8.158 1.00 0.00 N ATOM 1549 CA LEU A 102 0.745 5.068 8.461 1.00 0.00 C ATOM 1550 C LEU A 102 0.308 6.510 8.210 1.00 0.00 C ATOM 1551 O LEU A 102 -0.282 6.808 7.177 1.00 0.00 O ATOM 1552 CB LEU A 102 1.968 4.730 7.597 1.00 0.00 C ATOM 1553 CG LEU A 102 3.045 5.816 7.515 1.00 0.00 C ATOM 1554 CD1 LEU A 102 3.964 5.751 8.725 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.845 5.672 6.227 1.00 0.00 C ATOM 0 H LEU A 102 -0.483 3.979 7.162 1.00 0.00 H new ATOM 0 HA LEU A 102 1.009 4.967 9.514 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.425 3.820 7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.625 4.507 6.587 1.00 0.00 H new ATOM 0 HG LEU A 102 2.555 6.789 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.722 6.530 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.381 5.901 9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.449 4.775 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.607 6.451 6.183 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.325 4.693 6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.177 5.769 5.371 1.00 0.00 H new ATOM 1567 N PRO A 103 0.601 7.430 9.146 1.00 0.00 N ATOM 1568 CA PRO A 103 0.241 8.846 8.997 1.00 0.00 C ATOM 1569 C PRO A 103 0.843 9.448 7.728 1.00 0.00 C ATOM 1570 O PRO A 103 1.558 8.766 6.995 1.00 0.00 O ATOM 1571 CB PRO A 103 0.824 9.507 10.255 1.00 0.00 C ATOM 1572 CG PRO A 103 1.818 8.531 10.790 1.00 0.00 C ATOM 1573 CD PRO A 103 1.310 7.172 10.408 1.00 0.00 C ATOM 0 HA PRO A 103 -0.835 8.994 8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.298 10.459 10.015 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.044 9.715 10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 103 2.807 8.711 10.368 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.911 8.623 11.872 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.124 6.459 10.276 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.646 6.761 11.168 1.00 0.00 H new ATOM 1581 N LYS A 104 0.538 10.723 7.462 1.00 0.00 N ATOM 1582 CA LYS A 104 1.043 11.404 6.262 1.00 0.00 C ATOM 1583 C LYS A 104 2.500 11.035 5.965 1.00 0.00 C ATOM 1584 O LYS A 104 2.820 10.635 4.848 1.00 0.00 O ATOM 1585 CB LYS A 104 0.897 12.923 6.397 1.00 0.00 C ATOM 1586 CG LYS A 104 0.969 13.670 5.068 1.00 0.00 C ATOM 1587 CD LYS A 104 0.034 13.074 4.021 1.00 0.00 C ATOM 1588 CE LYS A 104 0.813 12.422 2.886 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.003 11.422 2.135 1.00 0.00 N ATOM 0 H LYS A 104 -0.053 11.303 8.058 1.00 0.00 H new ATOM 0 HA LYS A 104 0.438 11.064 5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.056 13.146 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.681 13.297 7.056 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.713 14.717 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.993 13.646 4.694 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.616 12.335 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.611 13.856 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.161 13.193 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.699 11.933 3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.621 10.842 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.507 10.810 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.692 11.917 1.534 1.00 0.00 H new ATOM 1603 N PRO A 105 3.407 11.148 6.956 1.00 0.00 N ATOM 1604 CA PRO A 105 4.819 10.805 6.768 1.00 0.00 C ATOM 1605 C PRO A 105 4.980 9.447 6.094 1.00 0.00 C ATOM 1606 O PRO A 105 4.037 8.656 6.036 1.00 0.00 O ATOM 1607 CB PRO A 105 5.388 10.780 8.196 1.00 0.00 C ATOM 1608 CG PRO A 105 4.205 10.877 9.102 1.00 0.00 C ATOM 1609 CD PRO A 105 3.150 11.606 8.323 1.00 0.00 C ATOM 0 HA PRO A 105 5.333 11.514 6.120 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.947 9.863 8.379 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.075 11.610 8.359 1.00 0.00 H new ATOM 0 HG2 PRO A 105 3.858 9.887 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.456 11.414 10.017 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.145 11.348 8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.249 12.688 8.416 1.00 0.00 H new ATOM 1617 N PHE A 106 6.176 9.181 5.578 1.00 0.00 N ATOM 1618 CA PHE A 106 6.461 7.927 4.901 1.00 0.00 C ATOM 1619 C PHE A 106 7.853 7.967 4.289 1.00 0.00 C ATOM 1620 O PHE A 106 8.822 7.560 4.927 1.00 0.00 O ATOM 1621 CB PHE A 106 5.414 7.599 3.828 1.00 0.00 C ATOM 1622 CG PHE A 106 4.705 8.781 3.233 1.00 0.00 C ATOM 1623 CD1 PHE A 106 5.363 9.977 3.001 1.00 0.00 C ATOM 1624 CD2 PHE A 106 3.377 8.673 2.883 1.00 0.00 C ATOM 1625 CE1 PHE A 106 4.703 11.047 2.430 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.709 9.737 2.306 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.374 10.927 2.079 1.00 0.00 C ATOM 0 H PHE A 106 6.967 9.824 5.618 1.00 0.00 H new ATOM 0 HA PHE A 106 6.418 7.134 5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 106 5.903 7.049 3.024 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.670 6.932 4.264 1.00 0.00 H new ATOM 0 HD1 PHE A 106 6.405 10.074 3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.852 7.746 3.061 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.226 11.976 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.669 9.638 2.033 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.855 11.760 1.628 1.00 0.00 H new ATOM 1637 N ASP A 107 7.956 8.448 3.048 1.00 0.00 N ATOM 1638 CA ASP A 107 9.236 8.525 2.362 1.00 0.00 C ATOM 1639 C ASP A 107 9.965 7.202 2.505 1.00 0.00 C ATOM 1640 O ASP A 107 9.430 6.256 3.066 1.00 0.00 O ATOM 1641 CB ASP A 107 10.080 9.687 2.901 1.00 0.00 C ATOM 1642 CG ASP A 107 10.619 9.430 4.293 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.677 8.777 4.407 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.984 9.882 5.269 1.00 0.00 O ATOM 0 H ASP A 107 7.165 8.789 2.502 1.00 0.00 H new ATOM 0 HA ASP A 107 9.062 8.718 1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 107 10.913 9.869 2.222 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.475 10.594 2.913 1.00 0.00 H new ATOM 1649 N ILE A 108 11.166 7.109 1.993 1.00 0.00 N ATOM 1650 CA ILE A 108 11.889 5.857 2.081 1.00 0.00 C ATOM 1651 C ILE A 108 12.213 5.479 3.510 1.00 0.00 C ATOM 1652 O ILE A 108 11.978 4.350 3.932 1.00 0.00 O ATOM 1653 CB ILE A 108 13.162 5.880 1.210 1.00 0.00 C ATOM 1654 CG1 ILE A 108 12.835 5.435 -0.211 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.267 5.007 1.785 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.536 5.997 -0.741 1.00 0.00 C ATOM 0 H ILE A 108 11.659 7.866 1.519 1.00 0.00 H new ATOM 0 HA ILE A 108 11.226 5.085 1.690 1.00 0.00 H new ATOM 0 HB ILE A 108 13.527 6.907 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 108 13.647 5.736 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 108 12.788 4.346 -0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.143 5.055 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.532 5.364 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.920 3.976 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.371 5.637 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 108 10.713 5.675 -0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 108 11.586 7.086 -0.746 1.00 0.00 H new ATOM 1668 N ASP A 109 12.756 6.412 4.246 1.00 0.00 N ATOM 1669 CA ASP A 109 13.124 6.152 5.627 1.00 0.00 C ATOM 1670 C ASP A 109 11.952 5.600 6.447 1.00 0.00 C ATOM 1671 O ASP A 109 12.077 4.550 7.079 1.00 0.00 O ATOM 1672 CB ASP A 109 13.675 7.417 6.282 1.00 0.00 C ATOM 1673 CG ASP A 109 15.146 7.628 5.983 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.474 7.965 4.826 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.969 7.460 6.907 1.00 0.00 O ATOM 0 H ASP A 109 12.956 7.358 3.921 1.00 0.00 H new ATOM 0 HA ASP A 109 13.900 5.387 5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.108 8.280 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.531 7.357 7.361 1.00 0.00 H new ATOM 1680 N GLU A 110 10.825 6.314 6.472 1.00 0.00 N ATOM 1681 CA GLU A 110 9.695 5.909 7.245 1.00 0.00 C ATOM 1682 C GLU A 110 8.797 4.925 6.495 1.00 0.00 C ATOM 1683 O GLU A 110 8.122 4.107 7.120 1.00 0.00 O ATOM 1684 CB GLU A 110 8.947 7.179 7.650 1.00 0.00 C ATOM 1685 CG GLU A 110 7.465 7.038 7.638 1.00 0.00 C ATOM 1686 CD GLU A 110 6.876 6.713 8.997 1.00 0.00 C ATOM 1687 OE1 GLU A 110 6.985 5.546 9.429 1.00 0.00 O ATOM 1688 OE2 GLU A 110 6.305 7.626 9.628 1.00 0.00 O ATOM 0 H GLU A 110 10.690 7.182 5.953 1.00 0.00 H new ATOM 0 HA GLU A 110 10.024 5.365 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 110 9.266 7.473 8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 110 9.230 7.986 6.975 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.023 7.965 7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.189 6.253 6.934 1.00 0.00 H new ATOM 1695 N ALA A 111 8.781 4.998 5.168 1.00 0.00 N ATOM 1696 CA ALA A 111 7.943 4.092 4.397 1.00 0.00 C ATOM 1697 C ALA A 111 8.641 2.753 4.200 1.00 0.00 C ATOM 1698 O ALA A 111 8.050 1.700 4.439 1.00 0.00 O ATOM 1699 CB ALA A 111 7.518 4.700 3.065 1.00 0.00 C ATOM 0 H ALA A 111 9.326 5.660 4.616 1.00 0.00 H new ATOM 0 HA ALA A 111 7.031 3.920 4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.894 3.989 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.953 5.614 3.246 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.403 4.932 2.472 1.00 0.00 H new ATOM 1705 N VAL A 112 9.911 2.787 3.798 1.00 0.00 N ATOM 1706 CA VAL A 112 10.660 1.552 3.623 1.00 0.00 C ATOM 1707 C VAL A 112 10.810 0.855 4.965 1.00 0.00 C ATOM 1708 O VAL A 112 10.811 -0.372 5.055 1.00 0.00 O ATOM 1709 CB VAL A 112 12.052 1.787 3.010 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.758 0.463 2.764 1.00 0.00 C ATOM 1711 CG2 VAL A 112 11.932 2.584 1.723 1.00 0.00 C ATOM 0 H VAL A 112 10.431 3.640 3.592 1.00 0.00 H new ATOM 0 HA VAL A 112 10.099 0.928 2.928 1.00 0.00 H new ATOM 0 HB VAL A 112 12.651 2.363 3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 112 13.740 0.650 2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.873 -0.069 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.167 -0.142 2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.924 2.743 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.317 2.034 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.469 3.548 1.934 1.00 0.00 H new ATOM 1721 N ALA A 113 10.907 1.659 6.011 1.00 0.00 N ATOM 1722 CA ALA A 113 11.023 1.149 7.364 1.00 0.00 C ATOM 1723 C ALA A 113 9.830 0.262 7.695 1.00 0.00 C ATOM 1724 O ALA A 113 9.976 -0.841 8.221 1.00 0.00 O ATOM 1725 CB ALA A 113 11.077 2.312 8.333 1.00 0.00 C ATOM 0 H ALA A 113 10.907 2.677 5.946 1.00 0.00 H new ATOM 0 HA ALA A 113 11.935 0.557 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.164 1.933 9.351 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.940 2.937 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.166 2.903 8.243 1.00 0.00 H new ATOM 1731 N LEU A 114 8.648 0.777 7.387 1.00 0.00 N ATOM 1732 CA LEU A 114 7.402 0.074 7.647 1.00 0.00 C ATOM 1733 C LEU A 114 7.122 -1.002 6.597 1.00 0.00 C ATOM 1734 O LEU A 114 6.371 -1.943 6.854 1.00 0.00 O ATOM 1735 CB LEU A 114 6.255 1.088 7.705 1.00 0.00 C ATOM 1736 CG LEU A 114 4.858 0.508 7.933 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.547 0.408 9.421 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.821 1.372 7.239 1.00 0.00 C ATOM 0 H LEU A 114 8.527 1.691 6.951 1.00 0.00 H new ATOM 0 HA LEU A 114 7.489 -0.438 8.606 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.466 1.800 8.503 1.00 0.00 H new ATOM 0 HB3 LEU A 114 6.246 1.650 6.771 1.00 0.00 H new ATOM 0 HG LEU A 114 4.829 -0.497 7.511 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.548 -0.007 9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.278 -0.241 9.903 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.591 1.400 9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.828 0.953 7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.861 2.383 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 114 4.028 1.400 6.169 1.00 0.00 H new ATOM 1750 N VAL A 115 7.719 -0.866 5.417 1.00 0.00 N ATOM 1751 CA VAL A 115 7.507 -1.845 4.350 1.00 0.00 C ATOM 1752 C VAL A 115 8.350 -3.108 4.550 1.00 0.00 C ATOM 1753 O VAL A 115 7.834 -4.222 4.473 1.00 0.00 O ATOM 1754 CB VAL A 115 7.765 -1.259 2.938 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.245 -1.264 2.585 1.00 0.00 C ATOM 1756 CG2 VAL A 115 6.973 -2.034 1.895 1.00 0.00 C ATOM 0 H VAL A 115 8.346 -0.099 5.175 1.00 0.00 H new ATOM 0 HA VAL A 115 6.453 -2.117 4.412 1.00 0.00 H new ATOM 0 HB VAL A 115 7.432 -0.221 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.383 -0.845 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.794 -0.663 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.620 -2.287 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.162 -1.613 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.280 -3.080 1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 115 5.909 -1.965 2.121 1.00 0.00 H new ATOM 1766 N GLU A 116 9.650 -2.932 4.793 1.00 0.00 N ATOM 1767 CA GLU A 116 10.551 -4.066 4.985 1.00 0.00 C ATOM 1768 C GLU A 116 10.066 -4.977 6.106 1.00 0.00 C ATOM 1769 O GLU A 116 9.994 -6.194 5.938 1.00 0.00 O ATOM 1770 CB GLU A 116 11.971 -3.579 5.282 1.00 0.00 C ATOM 1771 CG GLU A 116 12.714 -3.100 4.045 1.00 0.00 C ATOM 1772 CD GLU A 116 14.215 -3.032 4.250 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.879 -4.084 4.120 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.728 -1.930 4.537 1.00 0.00 O ATOM 0 H GLU A 116 10.099 -2.019 4.861 1.00 0.00 H new ATOM 0 HA GLU A 116 10.559 -4.642 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.925 -2.766 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.535 -4.388 5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.496 -3.770 3.213 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.345 -2.113 3.765 1.00 0.00 H new ATOM 1781 N ARG A 117 9.727 -4.389 7.247 1.00 0.00 N ATOM 1782 CA ARG A 117 9.245 -5.168 8.380 1.00 0.00 C ATOM 1783 C ARG A 117 7.958 -5.905 8.023 1.00 0.00 C ATOM 1784 O ARG A 117 7.620 -6.920 8.635 1.00 0.00 O ATOM 1785 CB ARG A 117 9.043 -4.284 9.615 1.00 0.00 C ATOM 1786 CG ARG A 117 7.943 -3.245 9.476 1.00 0.00 C ATOM 1787 CD ARG A 117 8.063 -2.173 10.551 1.00 0.00 C ATOM 1788 NE ARG A 117 6.825 -2.018 11.315 1.00 0.00 N ATOM 1789 CZ ARG A 117 6.398 -2.892 12.223 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.110 -3.975 12.500 1.00 0.00 N ATOM 1791 NH2 ARG A 117 5.256 -2.675 12.865 1.00 0.00 N ATOM 0 H ARG A 117 9.776 -3.384 7.411 1.00 0.00 H new ATOM 0 HA ARG A 117 10.006 -5.910 8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.816 -4.922 10.469 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.980 -3.774 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.997 -2.783 8.490 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.969 -3.730 9.548 1.00 0.00 H new ATOM 0 HD2 ARG A 117 8.877 -2.430 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.323 -1.222 10.086 1.00 0.00 H new ATOM 0 HE ARG A 117 6.255 -1.190 11.141 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.992 -4.143 12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.776 -4.640 13.197 1.00 0.00 H new ATOM 0 HH21 ARG A 117 4.708 -1.839 12.662 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.927 -3.344 13.561 1.00 0.00 H new ATOM 1805 N ALA A 118 7.245 -5.394 7.022 1.00 0.00 N ATOM 1806 CA ALA A 118 6.003 -6.010 6.576 1.00 0.00 C ATOM 1807 C ALA A 118 6.278 -7.305 5.823 1.00 0.00 C ATOM 1808 O ALA A 118 5.658 -8.335 6.091 1.00 0.00 O ATOM 1809 CB ALA A 118 5.216 -5.045 5.700 1.00 0.00 C ATOM 0 H ALA A 118 7.508 -4.555 6.506 1.00 0.00 H new ATOM 0 HA ALA A 118 5.407 -6.248 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.291 -5.521 5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.981 -4.146 6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.812 -4.777 4.828 1.00 0.00 H new ATOM 1815 N ILE A 119 7.213 -7.248 4.881 1.00 0.00 N ATOM 1816 CA ILE A 119 7.573 -8.415 4.095 1.00 0.00 C ATOM 1817 C ILE A 119 8.362 -9.406 4.941 1.00 0.00 C ATOM 1818 O ILE A 119 8.297 -10.617 4.731 1.00 0.00 O ATOM 1819 CB ILE A 119 8.407 -8.019 2.865 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.762 -6.842 2.133 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.567 -9.201 1.923 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.769 -5.863 1.580 1.00 0.00 C ATOM 0 H ILE A 119 7.734 -6.403 4.645 1.00 0.00 H new ATOM 0 HA ILE A 119 6.648 -8.882 3.757 1.00 0.00 H new ATOM 0 HB ILE A 119 9.395 -7.714 3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.148 -7.222 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.094 -6.319 2.817 1.00 0.00 H new ATOM 0 HG21 ILE A 119 9.160 -8.900 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.071 -10.015 2.443 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.585 -9.536 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.247 -5.052 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.367 -5.456 2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.422 -6.373 0.872 1.00 0.00 H new ATOM 1834 N SER A 120 9.107 -8.872 5.900 1.00 0.00 N ATOM 1835 CA SER A 120 9.917 -9.687 6.794 1.00 0.00 C ATOM 1836 C SER A 120 9.038 -10.491 7.749 1.00 0.00 C ATOM 1837 O SER A 120 9.263 -11.682 7.963 1.00 0.00 O ATOM 1838 CB SER A 120 10.876 -8.799 7.590 1.00 0.00 C ATOM 1839 OG SER A 120 11.942 -9.557 8.136 1.00 0.00 O ATOM 0 H SER A 120 9.167 -7.870 6.079 1.00 0.00 H new ATOM 0 HA SER A 120 10.493 -10.386 6.188 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.276 -8.019 6.942 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.333 -8.300 8.392 1.00 0.00 H new ATOM 0 HG SER A 120 12.541 -8.965 8.638 1.00 0.00 H new ATOM 1845 N HIS A 121 8.037 -9.829 8.321 1.00 0.00 N ATOM 1846 CA HIS A 121 7.121 -10.477 9.255 1.00 0.00 C ATOM 1847 C HIS A 121 6.342 -11.598 8.575 1.00 0.00 C ATOM 1848 O HIS A 121 5.886 -12.536 9.229 1.00 0.00 O ATOM 1849 CB HIS A 121 6.149 -9.449 9.840 1.00 0.00 C ATOM 1850 CG HIS A 121 6.746 -8.607 10.923 1.00 0.00 C ATOM 1851 ND1 HIS A 121 8.087 -8.292 10.979 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.177 -8.009 11.998 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.317 -7.537 12.039 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.174 -7.351 12.674 1.00 0.00 N ATOM 0 H HIS A 121 7.839 -8.842 8.154 1.00 0.00 H new ATOM 0 HA HIS A 121 7.714 -10.912 10.060 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.796 -8.799 9.039 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.277 -9.970 10.236 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.133 -8.044 12.272 1.00 0.00 H new ATOM 0 HE1 HIS A 121 9.276 -7.140 12.336 1.00 0.00 H new ATOM 0 HE2 HIS A 121 7.052 -6.807 13.528 1.00 0.00 H new ATOM 1863 N TYR A 122 6.190 -11.491 7.263 1.00 0.00 N ATOM 1864 CA TYR A 122 5.461 -12.488 6.492 1.00 0.00 C ATOM 1865 C TYR A 122 6.292 -13.755 6.312 1.00 0.00 C ATOM 1866 O TYR A 122 5.858 -14.849 6.675 1.00 0.00 O ATOM 1867 CB TYR A 122 5.064 -11.916 5.129 1.00 0.00 C ATOM 1868 CG TYR A 122 3.644 -11.391 5.085 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.564 -12.234 5.320 1.00 0.00 C ATOM 1870 CD2 TYR A 122 3.385 -10.054 4.811 1.00 0.00 C ATOM 1871 CE1 TYR A 122 1.266 -11.759 5.281 1.00 0.00 C ATOM 1872 CE2 TYR A 122 2.091 -9.572 4.771 1.00 0.00 C ATOM 1873 CZ TYR A 122 1.035 -10.427 5.007 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.255 -9.949 4.967 1.00 0.00 O ATOM 0 H TYR A 122 6.563 -10.721 6.708 1.00 0.00 H new ATOM 0 HA TYR A 122 4.558 -12.750 7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.749 -11.109 4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.180 -12.690 4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.742 -13.277 5.537 1.00 0.00 H new ATOM 0 HD2 TYR A 122 4.209 -9.380 4.626 1.00 0.00 H new ATOM 0 HE1 TYR A 122 0.438 -12.427 5.464 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.907 -8.530 4.556 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.248 -8.977 5.092 1.00 0.00 H new ATOM 1884 N GLN A 123 7.488 -13.604 5.752 1.00 0.00 N ATOM 1885 CA GLN A 123 8.376 -14.736 5.530 1.00 0.00 C ATOM 1886 C GLN A 123 9.043 -15.167 6.833 1.00 0.00 C ATOM 1887 O GLN A 123 8.722 -14.657 7.905 1.00 0.00 O ATOM 1888 CB GLN A 123 9.438 -14.385 4.486 1.00 0.00 C ATOM 1889 CG GLN A 123 10.412 -13.312 4.942 1.00 0.00 C ATOM 1890 CD GLN A 123 11.140 -12.655 3.786 1.00 0.00 C ATOM 1891 OE1 GLN A 123 12.177 -13.140 3.334 1.00 0.00 O ATOM 1892 NE2 GLN A 123 10.599 -11.545 3.302 1.00 0.00 N ATOM 0 H GLN A 123 7.863 -12.707 5.444 1.00 0.00 H new ATOM 0 HA GLN A 123 7.778 -15.568 5.158 1.00 0.00 H new ATOM 0 HB2 GLN A 123 9.997 -15.286 4.232 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.942 -14.050 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.871 -12.551 5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 123 11.141 -13.754 5.622 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.738 -11.178 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 123 11.044 -11.058 2.524 1.00 0.00 H new ATOM 1901 N GLU A 124 9.977 -16.109 6.733 1.00 0.00 N ATOM 1902 CA GLU A 124 10.689 -16.606 7.904 1.00 0.00 C ATOM 1903 C GLU A 124 11.995 -17.282 7.498 1.00 0.00 C ATOM 1904 O GLU A 124 12.455 -18.215 8.156 1.00 0.00 O ATOM 1905 CB GLU A 124 9.810 -17.586 8.687 1.00 0.00 C ATOM 1906 CG GLU A 124 9.446 -17.097 10.079 1.00 0.00 C ATOM 1907 CD GLU A 124 10.314 -17.714 11.159 1.00 0.00 C ATOM 1908 OE1 GLU A 124 11.467 -18.081 10.856 1.00 0.00 O ATOM 1909 OE2 GLU A 124 9.838 -17.828 12.308 1.00 0.00 O ATOM 0 H GLU A 124 10.257 -16.542 5.853 1.00 0.00 H new ATOM 0 HA GLU A 124 10.925 -15.756 8.544 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.895 -17.770 8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.330 -18.541 8.770 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.543 -16.012 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.401 -17.331 10.280 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.355 11.293 -0.092 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.467 11.872 -0.888 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.182 12.201 -0.151 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.783 11.129 1.323 1.00 0.00 F