USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 95:sc= -1.56 USER MOD Single : A 31 THR OG1 : rot 160:sc= 0.0281 USER MOD Single : A 32 THR OG1 : rot -126:sc= -6.82! USER MOD Single : A 35 ASN : amide:sc= -1.9! K(o=-1.9!,f=-0.021) USER MOD Single : A 37 ASN : amide:sc= -1.61! C(o=-1.6!,f=-4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -134:sc= -0.343 (180deg=-0.803) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 90:sc= -5.47! USER MOD Single : A 57 MET CE :methyl 175:sc= -2.3 (180deg=-2.47!) USER MOD Single : A 60 MET CE :methyl -127:sc= -0.0113 (180deg=-0.185) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.966 X(o=-0.97,f=-0.74) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.269 K(o=-0.27,f=-1.6!) USER MOD Single : A 73 HIS : no HE2:sc= -24.4! C(o=-24!,f=-28!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -152:sc= -0.0472 (180deg=-0.531) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.105 USER MOD Single : A 84 HIS : no HE2:sc= -3.69! C(o=-3.7!,f=-3.6!) USER MOD Single : A 85 SER OG : rot -62:sc= 0.826 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.369 K(o=-0.37,f=-2.9!) USER MOD Single : A 96 GLN : amide:sc= -1.11 K(o=-1.1,f=-8.9!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 121 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.35) USER MOD Single : A 122 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 123 GLN : amide:sc= -0.693 X(o=-0.69,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -10.825 -12.469 -10.570 1.00 0.00 N ATOM 38 CA ARG A 3 -10.103 -12.801 -11.830 1.00 0.00 C ATOM 39 C ARG A 3 -8.757 -12.094 -11.826 1.00 0.00 C ATOM 40 O ARG A 3 -8.293 -11.582 -12.825 1.00 0.00 O ATOM 41 CB ARG A 3 -10.923 -12.362 -13.046 1.00 0.00 C ATOM 42 CG ARG A 3 -10.666 -13.325 -14.206 1.00 0.00 C ATOM 43 CD ARG A 3 -11.986 -13.961 -14.645 1.00 0.00 C ATOM 44 NE ARG A 3 -11.735 -15.357 -15.102 1.00 0.00 N ATOM 45 CZ ARG A 3 -12.436 -15.860 -16.082 1.00 0.00 C ATOM 46 NH1 ARG A 3 -13.657 -16.267 -15.871 1.00 0.00 N ATOM 47 NH2 ARG A 3 -11.914 -15.957 -17.276 1.00 0.00 N ATOM 0 HA ARG A 3 -9.954 -13.879 -11.890 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.984 -12.349 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.651 -11.347 -13.335 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.212 -12.792 -15.041 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.961 -14.099 -13.901 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.696 -13.960 -13.818 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -12.433 -13.378 -15.450 1.00 0.00 H new ATOM 0 HE ARG A 3 -11.015 -15.920 -14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.066 -16.193 -14.939 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.203 -16.660 -16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.959 -15.640 -17.442 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.462 -16.350 -18.042 1.00 0.00 H new ATOM 61 N GLY A 4 -8.138 -12.078 -10.691 1.00 0.00 N ATOM 62 CA GLY A 4 -6.808 -11.420 -10.553 1.00 0.00 C ATOM 63 C GLY A 4 -6.789 -10.596 -9.266 1.00 0.00 C ATOM 64 O GLY A 4 -7.821 -10.277 -8.715 1.00 0.00 O ATOM 0 H GLY A 4 -8.498 -12.498 -9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.018 -12.170 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.615 -10.779 -11.413 1.00 0.00 H new ATOM 68 N ILE A 5 -5.631 -10.252 -8.777 1.00 0.00 N ATOM 69 CA ILE A 5 -5.573 -9.450 -7.522 1.00 0.00 C ATOM 70 C ILE A 5 -4.622 -8.266 -7.712 1.00 0.00 C ATOM 71 O ILE A 5 -3.427 -8.433 -7.848 1.00 0.00 O ATOM 72 CB ILE A 5 -5.074 -10.321 -6.362 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.330 -11.801 -6.668 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.814 -9.932 -5.081 1.00 0.00 C ATOM 75 CD1 ILE A 5 -6.834 -12.047 -6.776 1.00 0.00 C ATOM 0 H ILE A 5 -4.728 -10.489 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.573 -9.084 -7.291 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.003 -10.164 -6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.837 -12.081 -7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.904 -12.425 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.461 -10.550 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.625 -8.882 -4.856 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.884 -10.086 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.016 -13.099 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.314 -11.783 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.246 -11.434 -7.578 1.00 0.00 H new ATOM 87 N VAL A 6 -5.145 -7.069 -7.719 1.00 0.00 N ATOM 88 CA VAL A 6 -4.271 -5.875 -7.895 1.00 0.00 C ATOM 89 C VAL A 6 -4.541 -4.895 -6.747 1.00 0.00 C ATOM 90 O VAL A 6 -5.623 -4.349 -6.634 1.00 0.00 O ATOM 91 CB VAL A 6 -4.574 -5.223 -9.263 1.00 0.00 C ATOM 92 CG1 VAL A 6 -4.929 -3.734 -9.115 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.339 -5.353 -10.155 1.00 0.00 C ATOM 0 H VAL A 6 -6.139 -6.867 -7.610 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.219 -6.160 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.430 -5.734 -9.704 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.136 -3.310 -10.098 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.811 -3.631 -8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.092 -3.204 -8.660 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.540 -4.896 -11.124 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.495 -4.848 -9.684 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.100 -6.407 -10.294 1.00 0.00 H new ATOM 103 N TRP A 7 -3.581 -4.664 -5.888 1.00 0.00 N ATOM 104 CA TRP A 7 -3.835 -3.718 -4.769 1.00 0.00 C ATOM 105 C TRP A 7 -3.222 -2.358 -5.127 1.00 0.00 C ATOM 106 O TRP A 7 -2.072 -2.080 -4.857 1.00 0.00 O ATOM 107 CB TRP A 7 -3.245 -4.287 -3.474 1.00 0.00 C ATOM 108 CG TRP A 7 -4.136 -5.395 -2.998 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.848 -6.210 -3.810 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.430 -5.828 -1.636 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.563 -7.104 -3.041 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.339 -6.914 -1.697 1.00 0.00 C ATOM 113 CE3 TRP A 7 -4.007 -5.392 -0.367 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.808 -7.542 -0.549 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.480 -6.027 0.795 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.381 -7.100 0.699 1.00 0.00 C ATOM 0 H TRP A 7 -2.651 -5.082 -5.914 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.905 -3.583 -4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.236 -4.660 -3.648 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.171 -3.507 -2.716 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.855 -6.167 -4.889 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.182 -7.819 -3.422 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.316 -4.566 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.500 -8.368 -0.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.149 -5.688 1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.743 -7.582 1.595 1.00 0.00 H new ATOM 127 N VAL A 8 -3.996 -1.525 -5.771 1.00 0.00 N ATOM 128 CA VAL A 8 -3.501 -0.186 -6.207 1.00 0.00 C ATOM 129 C VAL A 8 -3.454 0.789 -5.026 1.00 0.00 C ATOM 130 O VAL A 8 -4.305 0.780 -4.166 1.00 0.00 O ATOM 131 CB VAL A 8 -4.462 0.356 -7.265 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.109 1.809 -7.592 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.362 -0.493 -8.533 1.00 0.00 C ATOM 0 H VAL A 8 -4.967 -1.719 -6.017 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.493 -0.288 -6.609 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.480 0.312 -6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.797 2.190 -8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.189 2.415 -6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.089 1.859 -7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.048 -0.105 -9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.343 -0.455 -8.917 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.624 -1.525 -8.301 1.00 0.00 H new ATOM 143 N VAL A 9 -2.472 1.648 -4.990 1.00 0.00 N ATOM 144 CA VAL A 9 -2.389 2.634 -3.874 1.00 0.00 C ATOM 145 C VAL A 9 -3.304 3.821 -4.185 1.00 0.00 C ATOM 146 O VAL A 9 -3.049 4.596 -5.084 1.00 0.00 O ATOM 147 CB VAL A 9 -0.950 3.129 -3.726 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.907 4.266 -2.702 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.062 1.977 -3.248 1.00 0.00 C ATOM 0 H VAL A 9 -1.726 1.710 -5.682 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.702 2.158 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.588 3.492 -4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.118 4.621 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.541 5.085 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.268 3.903 -1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.964 2.329 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.423 1.615 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.095 1.166 -3.976 1.00 0.00 H new ATOM 159 N ASP A 10 -4.371 3.964 -3.449 1.00 0.00 N ATOM 160 CA ASP A 10 -5.310 5.094 -3.698 1.00 0.00 C ATOM 161 C ASP A 10 -4.557 6.425 -3.620 1.00 0.00 C ATOM 162 O ASP A 10 -3.426 6.486 -3.179 1.00 0.00 O ATOM 163 CB ASP A 10 -6.413 5.070 -2.641 1.00 0.00 C ATOM 164 CG ASP A 10 -7.608 4.277 -3.167 1.00 0.00 C ATOM 165 OD1 ASP A 10 -7.541 3.822 -4.298 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.569 4.135 -2.430 1.00 0.00 O ATOM 0 H ASP A 10 -4.634 3.344 -2.683 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.747 4.990 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.040 4.619 -1.722 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.718 6.087 -2.396 1.00 0.00 H new ATOM 171 N ASP A 11 -5.181 7.494 -4.041 1.00 0.00 N ATOM 172 CA ASP A 11 -4.508 8.825 -3.990 1.00 0.00 C ATOM 173 C ASP A 11 -5.466 9.854 -3.385 1.00 0.00 C ATOM 174 O ASP A 11 -5.343 11.041 -3.610 1.00 0.00 O ATOM 175 CB ASP A 11 -4.124 9.260 -5.406 1.00 0.00 C ATOM 176 CG ASP A 11 -2.602 9.372 -5.509 1.00 0.00 C ATOM 177 OD1 ASP A 11 -1.990 9.761 -4.529 1.00 0.00 O ATOM 178 OD2 ASP A 11 -2.076 9.065 -6.566 1.00 0.00 O ATOM 0 H ASP A 11 -6.129 7.502 -4.418 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.610 8.755 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.496 8.539 -6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.587 10.218 -5.642 1.00 0.00 H new ATOM 183 N ASP A 12 -6.422 9.405 -2.618 1.00 0.00 N ATOM 184 CA ASP A 12 -7.394 10.351 -1.998 1.00 0.00 C ATOM 185 C ASP A 12 -8.530 9.554 -1.356 1.00 0.00 C ATOM 186 O ASP A 12 -8.586 8.344 -1.455 1.00 0.00 O ATOM 187 CB ASP A 12 -7.969 11.277 -3.072 1.00 0.00 C ATOM 188 CG ASP A 12 -7.599 12.727 -2.751 1.00 0.00 C ATOM 189 OD1 ASP A 12 -6.416 13.025 -2.721 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.506 13.517 -2.544 1.00 0.00 O ATOM 0 H ASP A 12 -6.572 8.421 -2.393 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.887 10.949 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.580 11.000 -4.052 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.053 11.169 -3.117 1.00 0.00 H new ATOM 195 N SER A 13 -9.434 10.223 -0.698 1.00 0.00 N ATOM 196 CA SER A 13 -10.567 9.503 -0.050 1.00 0.00 C ATOM 197 C SER A 13 -11.618 9.153 -1.106 1.00 0.00 C ATOM 198 O SER A 13 -11.823 9.882 -2.056 1.00 0.00 O ATOM 199 CB SER A 13 -11.196 10.395 1.020 1.00 0.00 C ATOM 200 OG SER A 13 -11.685 11.584 0.413 1.00 0.00 O ATOM 0 H SER A 13 -9.438 11.236 -0.580 1.00 0.00 H new ATOM 0 HA SER A 13 -10.198 8.588 0.414 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.009 9.867 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.459 10.640 1.785 1.00 0.00 H new ATOM 0 HG SER A 13 -12.091 12.157 1.097 1.00 0.00 H new ATOM 206 N SER A 14 -12.285 8.042 -0.950 1.00 0.00 N ATOM 207 CA SER A 14 -13.320 7.646 -1.946 1.00 0.00 C ATOM 208 C SER A 14 -12.636 7.119 -3.210 1.00 0.00 C ATOM 209 O SER A 14 -13.283 6.809 -4.192 1.00 0.00 O ATOM 210 CB SER A 14 -14.181 8.860 -2.296 1.00 0.00 C ATOM 211 OG SER A 14 -15.494 8.427 -2.626 1.00 0.00 O ATOM 0 H SER A 14 -12.158 7.391 -0.175 1.00 0.00 H new ATOM 0 HA SER A 14 -13.952 6.864 -1.524 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.215 9.551 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.743 9.401 -3.135 1.00 0.00 H new ATOM 0 HG SER A 14 -16.048 9.204 -2.849 1.00 0.00 H new ATOM 217 N ILE A 15 -11.335 7.008 -3.195 1.00 0.00 N ATOM 218 CA ILE A 15 -10.619 6.493 -4.395 1.00 0.00 C ATOM 219 C ILE A 15 -10.761 4.971 -4.438 1.00 0.00 C ATOM 220 O ILE A 15 -10.834 4.372 -5.492 1.00 0.00 O ATOM 221 CB ILE A 15 -9.142 6.876 -4.310 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.025 8.392 -4.147 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.427 6.448 -5.593 1.00 0.00 C ATOM 224 CD1 ILE A 15 -9.607 9.082 -5.382 1.00 0.00 C ATOM 0 H ILE A 15 -10.739 7.252 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.046 6.926 -5.300 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.684 6.376 -3.456 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.557 8.715 -3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.981 8.675 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.374 6.722 -5.531 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.515 5.368 -5.716 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.882 6.948 -6.448 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.525 10.163 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.056 8.768 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.656 8.808 -5.491 1.00 0.00 H new ATOM 236 N ARG A 16 -10.823 4.348 -3.294 1.00 0.00 N ATOM 237 CA ARG A 16 -10.988 2.869 -3.257 1.00 0.00 C ATOM 238 C ARG A 16 -12.284 2.526 -3.987 1.00 0.00 C ATOM 239 O ARG A 16 -12.335 1.653 -4.835 1.00 0.00 O ATOM 240 CB ARG A 16 -11.093 2.411 -1.799 1.00 0.00 C ATOM 241 CG ARG A 16 -10.293 1.123 -1.593 1.00 0.00 C ATOM 242 CD ARG A 16 -10.717 0.470 -0.274 1.00 0.00 C ATOM 243 NE ARG A 16 -10.652 1.477 0.821 1.00 0.00 N ATOM 244 CZ ARG A 16 -10.106 1.167 1.966 1.00 0.00 C ATOM 245 NH1 ARG A 16 -10.799 0.526 2.866 1.00 0.00 N ATOM 246 NH2 ARG A 16 -8.868 1.498 2.210 1.00 0.00 N ATOM 0 H ARG A 16 -10.766 4.801 -2.382 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.139 2.375 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.718 3.191 -1.137 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.138 2.245 -1.536 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.465 0.438 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.226 1.343 -1.577 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.729 0.075 -0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.064 -0.373 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.035 2.411 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.767 0.267 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.373 0.284 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.326 1.999 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.442 1.256 3.105 1.00 0.00 H new ATOM 260 N TRP A 17 -13.331 3.234 -3.657 1.00 0.00 N ATOM 261 CA TRP A 17 -14.647 3.002 -4.307 1.00 0.00 C ATOM 262 C TRP A 17 -14.507 3.192 -5.817 1.00 0.00 C ATOM 263 O TRP A 17 -14.705 2.275 -6.581 1.00 0.00 O ATOM 264 CB TRP A 17 -15.657 4.012 -3.755 1.00 0.00 C ATOM 265 CG TRP A 17 -17.040 3.646 -4.190 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.537 2.388 -4.233 1.00 0.00 C ATOM 267 CD2 TRP A 17 -18.111 4.526 -4.638 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.847 2.441 -4.676 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.246 3.736 -4.940 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.207 5.918 -4.812 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.436 4.309 -5.393 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.401 6.498 -5.270 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.514 5.695 -5.561 1.00 0.00 C ATOM 0 H TRP A 17 -13.327 3.973 -2.954 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.990 1.988 -4.102 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.604 4.034 -2.667 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.410 5.014 -4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.000 1.490 -3.966 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.445 1.623 -4.793 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -17.356 6.546 -4.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.290 3.686 -5.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -19.463 7.568 -5.399 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -21.429 6.146 -5.914 1.00 0.00 H new ATOM 284 N VAL A 18 -14.193 4.385 -6.248 1.00 0.00 N ATOM 285 CA VAL A 18 -14.060 4.658 -7.711 1.00 0.00 C ATOM 286 C VAL A 18 -13.434 3.459 -8.435 1.00 0.00 C ATOM 287 O VAL A 18 -14.075 2.783 -9.221 1.00 0.00 O ATOM 288 CB VAL A 18 -13.159 5.880 -7.893 1.00 0.00 C ATOM 289 CG1 VAL A 18 -12.748 6.005 -9.362 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.922 7.138 -7.468 1.00 0.00 C ATOM 0 H VAL A 18 -14.021 5.189 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.049 4.838 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.266 5.767 -7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.106 6.877 -9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.207 5.109 -9.666 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.638 6.118 -9.981 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.283 8.012 -7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.815 7.248 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.212 7.051 -6.421 1.00 0.00 H new ATOM 300 N LEU A 19 -12.178 3.207 -8.188 1.00 0.00 N ATOM 301 CA LEU A 19 -11.487 2.073 -8.866 1.00 0.00 C ATOM 302 C LEU A 19 -12.316 0.794 -8.750 1.00 0.00 C ATOM 303 O LEU A 19 -12.925 0.358 -9.705 1.00 0.00 O ATOM 304 CB LEU A 19 -10.119 1.858 -8.219 1.00 0.00 C ATOM 305 CG LEU A 19 -9.021 2.164 -9.239 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.655 2.085 -8.559 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.083 1.143 -10.378 1.00 0.00 C ATOM 0 H LEU A 19 -11.597 3.741 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.364 2.313 -9.922 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.011 2.504 -7.347 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.028 0.830 -7.868 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.169 3.167 -9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.873 2.303 -9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.609 2.812 -7.748 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.506 1.083 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.301 1.361 -11.105 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.936 0.140 -9.976 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.057 1.200 -10.865 1.00 0.00 H new ATOM 319 N GLU A 20 -12.311 0.176 -7.598 1.00 0.00 N ATOM 320 CA GLU A 20 -13.072 -1.100 -7.414 1.00 0.00 C ATOM 321 C GLU A 20 -14.381 -1.071 -8.211 1.00 0.00 C ATOM 322 O GLU A 20 -14.873 -2.091 -8.643 1.00 0.00 O ATOM 323 CB GLU A 20 -13.395 -1.274 -5.929 1.00 0.00 C ATOM 324 CG GLU A 20 -14.393 -2.422 -5.751 1.00 0.00 C ATOM 325 CD GLU A 20 -13.771 -3.725 -6.254 1.00 0.00 C ATOM 326 OE1 GLU A 20 -12.884 -4.232 -5.587 1.00 0.00 O ATOM 327 OE2 GLU A 20 -14.191 -4.195 -7.298 1.00 0.00 O ATOM 0 H GLU A 20 -11.810 0.501 -6.771 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.462 -1.929 -7.773 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.483 -1.482 -5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.812 -0.351 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.667 -2.520 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.310 -2.209 -6.301 1.00 0.00 H new ATOM 334 N ARG A 21 -14.946 0.087 -8.411 1.00 0.00 N ATOM 335 CA ARG A 21 -16.215 0.169 -9.184 1.00 0.00 C ATOM 336 C ARG A 21 -15.939 -0.259 -10.625 1.00 0.00 C ATOM 337 O ARG A 21 -16.554 -1.170 -11.143 1.00 0.00 O ATOM 338 CB ARG A 21 -16.737 1.606 -9.161 1.00 0.00 C ATOM 339 CG ARG A 21 -18.126 1.632 -8.523 1.00 0.00 C ATOM 340 CD ARG A 21 -18.983 2.695 -9.211 1.00 0.00 C ATOM 341 NE ARG A 21 -19.453 2.177 -10.525 1.00 0.00 N ATOM 342 CZ ARG A 21 -20.730 2.028 -10.749 1.00 0.00 C ATOM 343 NH1 ARG A 21 -21.499 3.076 -10.853 1.00 0.00 N ATOM 344 NH2 ARG A 21 -21.238 0.831 -10.864 1.00 0.00 N ATOM 0 H ARG A 21 -14.584 0.979 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.965 -0.486 -8.741 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.055 2.243 -8.599 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.783 2.004 -10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.598 0.654 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.045 1.849 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.836 2.953 -8.583 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.405 3.608 -9.353 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.777 1.938 -11.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.102 4.011 -10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -22.497 2.961 -11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.637 0.011 -10.779 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.236 0.715 -11.039 1.00 0.00 H new ATOM 358 N ALA A 22 -15.004 0.384 -11.268 1.00 0.00 N ATOM 359 CA ALA A 22 -14.671 0.008 -12.670 1.00 0.00 C ATOM 360 C ALA A 22 -14.003 -1.370 -12.675 1.00 0.00 C ATOM 361 O ALA A 22 -13.749 -1.946 -13.716 1.00 0.00 O ATOM 362 CB ALA A 22 -13.707 1.042 -13.257 1.00 0.00 C ATOM 0 H ALA A 22 -14.456 1.154 -10.883 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.581 -0.022 -13.269 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.462 0.769 -14.283 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.177 2.025 -13.245 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.795 1.069 -12.661 1.00 0.00 H new ATOM 368 N LEU A 23 -13.707 -1.900 -11.518 1.00 0.00 N ATOM 369 CA LEU A 23 -13.049 -3.231 -11.448 1.00 0.00 C ATOM 370 C LEU A 23 -14.065 -4.294 -11.016 1.00 0.00 C ATOM 371 O LEU A 23 -13.772 -5.479 -10.991 1.00 0.00 O ATOM 372 CB LEU A 23 -11.907 -3.163 -10.436 1.00 0.00 C ATOM 373 CG LEU A 23 -10.579 -3.318 -11.179 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.575 -4.652 -11.924 1.00 0.00 C ATOM 375 CD2 LEU A 23 -10.425 -2.176 -12.186 1.00 0.00 C ATOM 0 H LEU A 23 -13.895 -1.463 -10.615 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.658 -3.500 -12.429 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.932 -2.213 -9.902 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.016 -3.951 -9.690 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.754 -3.290 -10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.631 -4.769 -12.456 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.693 -5.468 -11.211 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.399 -4.673 -12.638 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.479 -2.284 -12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.248 -2.207 -12.900 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -10.438 -1.222 -11.659 1.00 0.00 H new ATOM 387 N ALA A 24 -15.259 -3.882 -10.683 1.00 0.00 N ATOM 388 CA ALA A 24 -16.295 -4.862 -10.264 1.00 0.00 C ATOM 389 C ALA A 24 -16.984 -5.415 -11.512 1.00 0.00 C ATOM 390 O ALA A 24 -17.485 -6.521 -11.520 1.00 0.00 O ATOM 391 CB ALA A 24 -17.328 -4.169 -9.372 1.00 0.00 C ATOM 0 H ALA A 24 -15.559 -2.907 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.831 -5.675 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.086 -4.890 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.833 -3.766 -8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.801 -3.358 -9.925 1.00 0.00 H new ATOM 397 N GLY A 25 -17.002 -4.651 -12.570 1.00 0.00 N ATOM 398 CA GLY A 25 -17.647 -5.127 -13.824 1.00 0.00 C ATOM 399 C GLY A 25 -16.743 -6.164 -14.489 1.00 0.00 C ATOM 400 O GLY A 25 -17.202 -7.166 -15.000 1.00 0.00 O ATOM 0 H GLY A 25 -16.597 -3.716 -12.619 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.621 -5.564 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.819 -4.289 -14.500 1.00 0.00 H new ATOM 404 N ALA A 26 -15.457 -5.935 -14.480 1.00 0.00 N ATOM 405 CA ALA A 26 -14.523 -6.914 -15.104 1.00 0.00 C ATOM 406 C ALA A 26 -14.521 -8.193 -14.269 1.00 0.00 C ATOM 407 O ALA A 26 -14.466 -9.289 -14.789 1.00 0.00 O ATOM 408 CB ALA A 26 -13.110 -6.327 -15.141 1.00 0.00 C ATOM 0 H ALA A 26 -15.014 -5.114 -14.068 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.845 -7.134 -16.122 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.429 -7.045 -15.598 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.113 -5.407 -15.726 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.780 -6.110 -14.125 1.00 0.00 H new ATOM 414 N GLY A 27 -14.591 -8.055 -12.973 1.00 0.00 N ATOM 415 CA GLY A 27 -14.604 -9.257 -12.096 1.00 0.00 C ATOM 416 C GLY A 27 -13.199 -9.519 -11.550 1.00 0.00 C ATOM 417 O GLY A 27 -12.615 -10.554 -11.797 1.00 0.00 O ATOM 0 H GLY A 27 -14.640 -7.161 -12.485 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.302 -9.109 -11.272 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.953 -10.124 -12.657 1.00 0.00 H new ATOM 421 N LEU A 28 -12.653 -8.594 -10.805 1.00 0.00 N ATOM 422 CA LEU A 28 -11.287 -8.810 -10.243 1.00 0.00 C ATOM 423 C LEU A 28 -11.251 -8.358 -8.787 1.00 0.00 C ATOM 424 O LEU A 28 -12.224 -7.875 -8.243 1.00 0.00 O ATOM 425 CB LEU A 28 -10.265 -7.994 -11.032 1.00 0.00 C ATOM 426 CG LEU A 28 -9.574 -8.891 -12.061 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.010 -8.484 -13.470 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.059 -8.730 -11.930 1.00 0.00 C ATOM 0 H LEU A 28 -13.090 -7.705 -10.563 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.045 -9.871 -10.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.759 -7.162 -11.534 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.527 -7.565 -10.355 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.850 -9.931 -11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.517 -9.124 -14.202 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.091 -8.593 -13.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.733 -7.445 -13.651 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.561 -9.367 -12.661 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.787 -7.690 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.748 -9.018 -10.926 1.00 0.00 H new ATOM 440 N THR A 29 -10.122 -8.506 -8.164 1.00 0.00 N ATOM 441 CA THR A 29 -9.979 -8.083 -6.741 1.00 0.00 C ATOM 442 C THR A 29 -9.278 -6.728 -6.715 1.00 0.00 C ATOM 443 O THR A 29 -8.103 -6.626 -6.421 1.00 0.00 O ATOM 444 CB THR A 29 -9.142 -9.113 -5.973 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.880 -10.322 -5.856 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.811 -8.582 -4.570 1.00 0.00 C ATOM 0 H THR A 29 -9.281 -8.906 -8.580 1.00 0.00 H new ATOM 0 HA THR A 29 -10.960 -8.010 -6.271 1.00 0.00 H new ATOM 0 HB THR A 29 -8.213 -9.295 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.348 -10.984 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.216 -9.321 -4.032 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.246 -7.654 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.736 -8.394 -4.025 1.00 0.00 H new ATOM 454 N CYS A 30 -9.987 -5.687 -7.047 1.00 0.00 N ATOM 455 CA CYS A 30 -9.369 -4.342 -7.067 1.00 0.00 C ATOM 456 C CYS A 30 -9.319 -3.770 -5.656 1.00 0.00 C ATOM 457 O CYS A 30 -10.216 -3.070 -5.226 1.00 0.00 O ATOM 458 CB CYS A 30 -10.207 -3.433 -7.952 1.00 0.00 C ATOM 459 SG CYS A 30 -9.347 -1.859 -8.198 1.00 0.00 S ATOM 0 H CYS A 30 -10.973 -5.714 -7.306 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.353 -4.412 -7.455 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.389 -3.913 -8.914 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.180 -3.259 -7.493 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.669 -1.903 -9.306 1.00 0.00 H new ATOM 465 N THR A 31 -8.273 -4.043 -4.938 1.00 0.00 N ATOM 466 CA THR A 31 -8.158 -3.496 -3.564 1.00 0.00 C ATOM 467 C THR A 31 -7.288 -2.249 -3.632 1.00 0.00 C ATOM 468 O THR A 31 -6.363 -2.173 -4.414 1.00 0.00 O ATOM 469 CB THR A 31 -7.506 -4.538 -2.650 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.410 -5.613 -2.441 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.144 -3.906 -1.303 1.00 0.00 C ATOM 0 H THR A 31 -7.491 -4.622 -5.243 1.00 0.00 H new ATOM 0 HA THR A 31 -9.142 -3.250 -3.164 1.00 0.00 H new ATOM 0 HB THR A 31 -6.597 -4.908 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.915 -6.402 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.681 -4.656 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.446 -3.084 -1.463 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.047 -3.527 -0.825 1.00 0.00 H new ATOM 479 N THR A 32 -7.563 -1.265 -2.833 1.00 0.00 N ATOM 480 CA THR A 32 -6.724 -0.045 -2.890 1.00 0.00 C ATOM 481 C THR A 32 -6.469 0.481 -1.483 1.00 0.00 C ATOM 482 O THR A 32 -7.259 0.287 -0.580 1.00 0.00 O ATOM 483 CB THR A 32 -7.421 1.027 -3.713 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.823 0.820 -3.661 1.00 0.00 O ATOM 485 CG2 THR A 32 -6.945 0.949 -5.163 1.00 0.00 C ATOM 0 H THR A 32 -8.322 -1.251 -2.151 1.00 0.00 H new ATOM 0 HA THR A 32 -5.772 -0.297 -3.357 1.00 0.00 H new ATOM 0 HB THR A 32 -7.182 2.011 -3.308 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.180 0.770 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.445 1.718 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.867 1.107 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.183 -0.033 -5.572 1.00 0.00 H new ATOM 493 N PHE A 33 -5.369 1.149 -1.292 1.00 0.00 N ATOM 494 CA PHE A 33 -5.056 1.694 0.054 1.00 0.00 C ATOM 495 C PHE A 33 -4.583 3.145 -0.092 1.00 0.00 C ATOM 496 O PHE A 33 -3.656 3.446 -0.818 1.00 0.00 O ATOM 497 CB PHE A 33 -3.978 0.826 0.698 1.00 0.00 C ATOM 498 CG PHE A 33 -4.637 -0.190 1.600 1.00 0.00 C ATOM 499 CD1 PHE A 33 -5.448 0.235 2.659 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.446 -1.558 1.369 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.065 -0.708 3.489 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.066 -2.501 2.197 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.875 -2.076 3.257 1.00 0.00 C ATOM 0 H PHE A 33 -4.672 1.341 -2.011 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.940 1.682 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.392 0.322 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.288 1.446 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.597 1.290 2.835 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.820 -1.885 0.552 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.688 -0.381 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.920 -3.556 2.018 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.353 -2.803 3.896 1.00 0.00 H new ATOM 513 N GLU A 34 -5.254 4.045 0.570 1.00 0.00 N ATOM 514 CA GLU A 34 -4.922 5.499 0.471 1.00 0.00 C ATOM 515 C GLU A 34 -3.409 5.777 0.533 1.00 0.00 C ATOM 516 O GLU A 34 -2.891 6.527 -0.271 1.00 0.00 O ATOM 517 CB GLU A 34 -5.608 6.242 1.618 1.00 0.00 C ATOM 518 CG GLU A 34 -6.776 7.061 1.066 1.00 0.00 C ATOM 519 CD GLU A 34 -8.013 6.168 0.946 1.00 0.00 C ATOM 520 OE1 GLU A 34 -7.956 5.211 0.192 1.00 0.00 O ATOM 521 OE2 GLU A 34 -8.995 6.457 1.610 1.00 0.00 O ATOM 0 H GLU A 34 -6.036 3.832 1.189 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.276 5.846 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.967 5.532 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.895 6.897 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.986 7.905 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.516 7.474 0.091 1.00 0.00 H new ATOM 528 N ASN A 35 -2.699 5.240 1.491 1.00 0.00 N ATOM 529 CA ASN A 35 -1.239 5.565 1.583 1.00 0.00 C ATOM 530 C ASN A 35 -0.358 4.327 1.394 1.00 0.00 C ATOM 531 O ASN A 35 -0.625 3.268 1.930 1.00 0.00 O ATOM 532 CB ASN A 35 -0.951 6.174 2.954 1.00 0.00 C ATOM 533 CG ASN A 35 -0.915 7.698 2.835 1.00 0.00 C ATOM 534 OD1 ASN A 35 -1.643 8.391 3.516 1.00 0.00 O ATOM 535 ND2 ASN A 35 -0.089 8.251 1.989 1.00 0.00 N ATOM 0 H ASN A 35 -3.055 4.602 2.203 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.003 6.268 0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.718 5.872 3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.001 5.805 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.055 9.266 1.899 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.522 7.668 1.417 1.00 0.00 H new ATOM 542 N GLY A 36 0.718 4.475 0.653 1.00 0.00 N ATOM 543 CA GLY A 36 1.655 3.333 0.428 1.00 0.00 C ATOM 544 C GLY A 36 2.159 2.818 1.770 1.00 0.00 C ATOM 545 O GLY A 36 2.702 1.740 1.859 1.00 0.00 O ATOM 0 H GLY A 36 0.986 5.345 0.193 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.148 2.534 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.494 3.653 -0.189 1.00 0.00 H new ATOM 549 N ASN A 37 1.981 3.570 2.818 1.00 0.00 N ATOM 550 CA ASN A 37 2.445 3.088 4.145 1.00 0.00 C ATOM 551 C ASN A 37 1.578 1.890 4.525 1.00 0.00 C ATOM 552 O ASN A 37 1.924 0.759 4.252 1.00 0.00 O ATOM 553 CB ASN A 37 2.282 4.200 5.183 1.00 0.00 C ATOM 554 CG ASN A 37 2.385 3.608 6.589 1.00 0.00 C ATOM 555 OD1 ASN A 37 2.875 2.510 6.765 1.00 0.00 O ATOM 556 ND2 ASN A 37 1.941 4.296 7.604 1.00 0.00 N ATOM 0 H ASN A 37 1.539 4.489 2.814 1.00 0.00 H new ATOM 0 HA ASN A 37 3.497 2.804 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.050 4.960 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.318 4.693 5.055 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.005 3.913 8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.530 5.218 7.455 1.00 0.00 H new ATOM 563 N GLU A 38 0.457 2.137 5.156 1.00 0.00 N ATOM 564 CA GLU A 38 -0.452 1.024 5.555 1.00 0.00 C ATOM 565 C GLU A 38 -0.427 -0.074 4.489 1.00 0.00 C ATOM 566 O GLU A 38 -0.572 -1.239 4.787 1.00 0.00 O ATOM 567 CB GLU A 38 -1.877 1.563 5.677 1.00 0.00 C ATOM 568 CG GLU A 38 -2.458 1.160 7.034 1.00 0.00 C ATOM 569 CD GLU A 38 -3.788 1.883 7.256 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.784 3.103 7.255 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.787 1.204 7.422 1.00 0.00 O ATOM 0 H GLU A 38 0.132 3.069 5.413 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.121 0.612 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.877 2.648 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.497 1.169 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.608 0.081 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.758 1.412 7.830 1.00 0.00 H new ATOM 578 N VAL A 39 -0.235 0.294 3.247 1.00 0.00 N ATOM 579 CA VAL A 39 -0.185 -0.718 2.163 1.00 0.00 C ATOM 580 C VAL A 39 0.991 -1.658 2.424 1.00 0.00 C ATOM 581 O VAL A 39 0.837 -2.857 2.544 1.00 0.00 O ATOM 582 CB VAL A 39 0.039 0.011 0.840 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.046 -0.980 -0.312 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.027 1.088 0.655 1.00 0.00 C ATOM 0 H VAL A 39 -0.111 1.259 2.942 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.112 -1.290 2.126 1.00 0.00 H new ATOM 0 HB VAL A 39 1.026 0.474 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.114 -0.457 -1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.718 -1.748 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.031 -1.446 -0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.862 1.605 -0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.014 0.626 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.967 1.804 1.475 1.00 0.00 H new ATOM 594 N LEU A 40 2.163 -1.104 2.510 1.00 0.00 N ATOM 595 CA LEU A 40 3.384 -1.913 2.762 1.00 0.00 C ATOM 596 C LEU A 40 3.301 -2.552 4.153 1.00 0.00 C ATOM 597 O LEU A 40 4.023 -3.478 4.467 1.00 0.00 O ATOM 598 CB LEU A 40 4.596 -0.977 2.688 1.00 0.00 C ATOM 599 CG LEU A 40 5.899 -1.773 2.757 1.00 0.00 C ATOM 600 CD1 LEU A 40 6.185 -2.136 4.213 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.774 -3.046 1.915 1.00 0.00 C ATOM 0 H LEU A 40 2.331 -0.102 2.414 1.00 0.00 H new ATOM 0 HA LEU A 40 3.476 -2.707 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.563 -0.404 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.558 -0.260 3.508 1.00 0.00 H new ATOM 0 HG LEU A 40 6.719 -1.171 2.364 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.113 -2.704 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.280 -1.225 4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.366 -2.739 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.705 -3.610 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.957 -3.658 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.570 -2.778 0.878 1.00 0.00 H new ATOM 613 N ALA A 41 2.428 -2.063 4.990 1.00 0.00 N ATOM 614 CA ALA A 41 2.303 -2.637 6.360 1.00 0.00 C ATOM 615 C ALA A 41 1.251 -3.749 6.366 1.00 0.00 C ATOM 616 O ALA A 41 1.251 -4.609 7.226 1.00 0.00 O ATOM 617 CB ALA A 41 1.891 -1.526 7.331 1.00 0.00 C ATOM 0 H ALA A 41 1.795 -1.290 4.784 1.00 0.00 H new ATOM 0 HA ALA A 41 3.260 -3.058 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.797 -1.937 8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.648 -0.742 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.934 -1.107 7.020 1.00 0.00 H new ATOM 623 N ALA A 42 0.366 -3.757 5.408 1.00 0.00 N ATOM 624 CA ALA A 42 -0.664 -4.831 5.358 1.00 0.00 C ATOM 625 C ALA A 42 -0.156 -5.927 4.427 1.00 0.00 C ATOM 626 O ALA A 42 -0.573 -7.067 4.496 1.00 0.00 O ATOM 627 CB ALA A 42 -1.983 -4.268 4.824 1.00 0.00 C ATOM 0 H ALA A 42 0.312 -3.067 4.659 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.840 -5.231 6.357 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.730 -5.061 4.791 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.330 -3.470 5.480 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.830 -3.872 3.820 1.00 0.00 H new ATOM 633 N LEU A 43 0.762 -5.584 3.565 1.00 0.00 N ATOM 634 CA LEU A 43 1.329 -6.587 2.630 1.00 0.00 C ATOM 635 C LEU A 43 2.527 -7.258 3.302 1.00 0.00 C ATOM 636 O LEU A 43 2.368 -8.177 4.080 1.00 0.00 O ATOM 637 CB LEU A 43 1.787 -5.888 1.347 1.00 0.00 C ATOM 638 CG LEU A 43 0.706 -6.011 0.279 1.00 0.00 C ATOM 639 CD1 LEU A 43 1.172 -5.308 -0.997 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.463 -7.491 -0.015 1.00 0.00 C ATOM 0 H LEU A 43 1.144 -4.643 3.471 1.00 0.00 H new ATOM 0 HA LEU A 43 0.575 -7.333 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.994 -4.837 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.716 -6.334 0.991 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.216 -5.549 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.401 -5.394 -1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.357 -4.255 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.091 -5.773 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.309 -7.588 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.386 -7.947 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.138 -7.994 0.896 1.00 0.00 H new ATOM 652 N ALA A 44 3.722 -6.796 3.015 1.00 0.00 N ATOM 653 CA ALA A 44 4.938 -7.394 3.633 1.00 0.00 C ATOM 654 C ALA A 44 5.338 -8.650 2.849 1.00 0.00 C ATOM 655 O ALA A 44 6.456 -8.775 2.388 1.00 0.00 O ATOM 656 CB ALA A 44 4.654 -7.742 5.097 1.00 0.00 C ATOM 0 H ALA A 44 3.903 -6.024 2.373 1.00 0.00 H new ATOM 0 HA ALA A 44 5.760 -6.679 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.545 -8.179 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.381 -6.837 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.833 -8.458 5.148 1.00 0.00 H new ATOM 662 N SER A 45 4.435 -9.575 2.692 1.00 0.00 N ATOM 663 CA SER A 45 4.751 -10.819 1.936 1.00 0.00 C ATOM 664 C SER A 45 4.174 -10.716 0.520 1.00 0.00 C ATOM 665 O SER A 45 4.387 -11.577 -0.309 1.00 0.00 O ATOM 666 CB SER A 45 4.122 -12.017 2.650 1.00 0.00 C ATOM 667 OG SER A 45 4.916 -12.365 3.777 1.00 0.00 O ATOM 0 H SER A 45 3.484 -9.523 3.057 1.00 0.00 H new ATOM 0 HA SER A 45 5.832 -10.948 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.108 -11.774 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.049 -12.864 1.968 1.00 0.00 H new ATOM 0 HG SER A 45 4.514 -13.131 4.237 1.00 0.00 H new ATOM 673 N LYS A 46 3.437 -9.671 0.239 1.00 0.00 N ATOM 674 CA LYS A 46 2.840 -9.518 -1.120 1.00 0.00 C ATOM 675 C LYS A 46 1.868 -10.673 -1.376 1.00 0.00 C ATOM 676 O LYS A 46 2.272 -11.796 -1.603 1.00 0.00 O ATOM 677 CB LYS A 46 3.949 -9.539 -2.175 1.00 0.00 C ATOM 678 CG LYS A 46 4.547 -8.138 -2.316 1.00 0.00 C ATOM 679 CD LYS A 46 4.464 -7.695 -3.774 1.00 0.00 C ATOM 680 CE LYS A 46 4.894 -6.232 -3.894 1.00 0.00 C ATOM 681 NZ LYS A 46 5.430 -5.986 -5.262 1.00 0.00 N ATOM 0 H LYS A 46 3.224 -8.918 0.893 1.00 0.00 H new ATOM 0 HA LYS A 46 2.306 -8.569 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.724 -10.250 -1.889 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.548 -9.873 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.009 -7.435 -1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.585 -8.139 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.104 -8.324 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.446 -7.816 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.046 -5.575 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.653 -6.002 -3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.319 -5.450 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.609 -6.896 -5.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.737 -5.441 -5.813 1.00 0.00 H new ATOM 695 N THR A 47 0.587 -10.413 -1.323 1.00 0.00 N ATOM 696 CA THR A 47 -0.401 -11.507 -1.543 1.00 0.00 C ATOM 697 C THR A 47 -0.975 -11.474 -2.968 1.00 0.00 C ATOM 698 O THR A 47 -0.828 -12.427 -3.706 1.00 0.00 O ATOM 699 CB THR A 47 -1.543 -11.374 -0.534 1.00 0.00 C ATOM 700 OG1 THR A 47 -1.131 -10.546 0.544 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.912 -12.760 -0.003 1.00 0.00 C ATOM 0 H THR A 47 0.185 -9.494 -1.138 1.00 0.00 H new ATOM 0 HA THR A 47 0.115 -12.458 -1.407 1.00 0.00 H new ATOM 0 HB THR A 47 -2.410 -10.927 -1.021 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.864 -10.460 1.189 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.726 -12.669 0.717 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.229 -13.394 -0.831 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.045 -13.206 0.484 1.00 0.00 H new ATOM 709 N PRO A 48 -1.641 -10.396 -3.300 1.00 0.00 N ATOM 710 CA PRO A 48 -2.244 -10.332 -4.651 1.00 0.00 C ATOM 711 C PRO A 48 -1.210 -10.702 -5.720 1.00 0.00 C ATOM 712 O PRO A 48 -0.087 -11.052 -5.417 1.00 0.00 O ATOM 713 CB PRO A 48 -2.696 -8.882 -4.804 1.00 0.00 C ATOM 714 CG PRO A 48 -1.848 -8.061 -3.822 1.00 0.00 C ATOM 715 CD PRO A 48 -1.259 -9.052 -2.804 1.00 0.00 C ATOM 0 HA PRO A 48 -3.071 -11.032 -4.772 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.551 -8.535 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.758 -8.780 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.054 -7.530 -4.348 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.457 -7.309 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.176 -8.950 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.658 -8.873 -1.805 1.00 0.00 H new ATOM 723 N ASP A 49 -1.581 -10.638 -6.969 1.00 0.00 N ATOM 724 CA ASP A 49 -0.621 -11.003 -8.047 1.00 0.00 C ATOM 725 C ASP A 49 0.157 -9.768 -8.513 1.00 0.00 C ATOM 726 O ASP A 49 1.253 -9.881 -9.023 1.00 0.00 O ATOM 727 CB ASP A 49 -1.392 -11.594 -9.228 1.00 0.00 C ATOM 728 CG ASP A 49 -2.531 -12.471 -8.706 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.315 -13.169 -7.728 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.601 -12.430 -9.292 1.00 0.00 O ATOM 0 H ASP A 49 -2.506 -10.349 -7.289 1.00 0.00 H new ATOM 0 HA ASP A 49 0.086 -11.736 -7.658 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.791 -10.794 -9.852 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.723 -12.184 -9.855 1.00 0.00 H new ATOM 735 N VAL A 50 -0.392 -8.594 -8.354 1.00 0.00 N ATOM 736 CA VAL A 50 0.333 -7.369 -8.807 1.00 0.00 C ATOM 737 C VAL A 50 -0.034 -6.182 -7.904 1.00 0.00 C ATOM 738 O VAL A 50 -1.191 -5.926 -7.631 1.00 0.00 O ATOM 739 CB VAL A 50 -0.067 -7.062 -10.259 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.074 -5.563 -10.553 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.848 -7.838 -11.205 1.00 0.00 C ATOM 0 H VAL A 50 -1.306 -8.429 -7.933 1.00 0.00 H new ATOM 0 HA VAL A 50 1.409 -7.536 -8.749 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.106 -7.357 -10.405 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.214 -5.366 -11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.573 -4.998 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.109 -5.258 -10.400 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.570 -7.625 -12.237 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.882 -7.537 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.746 -8.906 -11.015 1.00 0.00 H new ATOM 751 N LEU A 51 0.944 -5.449 -7.451 1.00 0.00 N ATOM 752 CA LEU A 51 0.649 -4.275 -6.588 1.00 0.00 C ATOM 753 C LEU A 51 0.746 -3.014 -7.449 1.00 0.00 C ATOM 754 O LEU A 51 1.735 -2.788 -8.117 1.00 0.00 O ATOM 755 CB LEU A 51 1.670 -4.199 -5.451 1.00 0.00 C ATOM 756 CG LEU A 51 0.990 -4.496 -4.109 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.224 -3.589 -3.914 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.549 -5.958 -4.066 1.00 0.00 C ATOM 0 H LEU A 51 1.933 -5.613 -7.641 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.349 -4.365 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.474 -4.914 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.124 -3.208 -5.426 1.00 0.00 H new ATOM 0 HG LEU A 51 1.703 -4.307 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.695 -3.813 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.095 -2.547 -3.927 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.939 -3.760 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.066 -6.165 -3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.154 -6.150 -4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.419 -6.604 -4.180 1.00 0.00 H new ATOM 770 N LEU A 52 -0.269 -2.197 -7.455 1.00 0.00 N ATOM 771 CA LEU A 52 -0.218 -0.968 -8.296 1.00 0.00 C ATOM 772 C LEU A 52 -0.074 0.270 -7.408 1.00 0.00 C ATOM 773 O LEU A 52 -0.117 0.189 -6.197 1.00 0.00 O ATOM 774 CB LEU A 52 -1.508 -0.861 -9.114 1.00 0.00 C ATOM 775 CG LEU A 52 -1.172 -0.792 -10.605 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.072 -1.764 -11.375 1.00 0.00 C ATOM 777 CD2 LEU A 52 -1.406 0.632 -11.113 1.00 0.00 C ATOM 0 H LEU A 52 -1.127 -2.325 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 52 0.640 -1.027 -8.965 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.148 -1.721 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.066 0.027 -8.816 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.128 -1.065 -10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.834 -1.716 -12.438 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.907 -2.778 -11.011 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.116 -1.490 -11.224 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.167 0.683 -12.175 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.450 0.905 -10.962 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.767 1.324 -10.564 1.00 0.00 H new ATOM 789 N SER A 53 0.097 1.417 -8.009 1.00 0.00 N ATOM 790 CA SER A 53 0.245 2.671 -7.218 1.00 0.00 C ATOM 791 C SER A 53 -0.171 3.861 -8.084 1.00 0.00 C ATOM 792 O SER A 53 0.348 4.064 -9.164 1.00 0.00 O ATOM 793 CB SER A 53 1.704 2.836 -6.792 1.00 0.00 C ATOM 794 OG SER A 53 1.791 2.752 -5.374 1.00 0.00 O ATOM 0 H SER A 53 0.141 1.539 -9.021 1.00 0.00 H new ATOM 0 HA SER A 53 -0.387 2.623 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.319 2.063 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.089 3.796 -7.135 1.00 0.00 H new ATOM 0 HG SER A 53 1.931 1.819 -5.110 1.00 0.00 H new ATOM 800 N ASP A 54 -1.108 4.645 -7.626 1.00 0.00 N ATOM 801 CA ASP A 54 -1.559 5.815 -8.431 1.00 0.00 C ATOM 802 C ASP A 54 -0.715 7.040 -8.071 1.00 0.00 C ATOM 803 O ASP A 54 0.040 7.027 -7.120 1.00 0.00 O ATOM 804 CB ASP A 54 -3.032 6.104 -8.132 1.00 0.00 C ATOM 805 CG ASP A 54 -3.746 6.513 -9.422 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.978 5.645 -10.248 1.00 0.00 O ATOM 807 OD2 ASP A 54 -4.050 7.686 -9.562 1.00 0.00 O ATOM 0 H ASP A 54 -1.580 4.526 -6.730 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.441 5.592 -9.491 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.507 5.221 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.114 6.899 -7.391 1.00 0.00 H new ATOM 812 N ILE A 55 -0.838 8.099 -8.826 1.00 0.00 N ATOM 813 CA ILE A 55 -0.045 9.325 -8.530 1.00 0.00 C ATOM 814 C ILE A 55 -0.884 10.563 -8.852 1.00 0.00 C ATOM 815 O ILE A 55 -1.233 10.809 -9.990 1.00 0.00 O ATOM 816 CB ILE A 55 1.222 9.331 -9.386 1.00 0.00 C ATOM 817 CG1 ILE A 55 1.885 10.710 -9.303 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.857 9.032 -10.841 1.00 0.00 C ATOM 819 CD1 ILE A 55 2.017 11.126 -7.836 1.00 0.00 C ATOM 0 H ILE A 55 -1.455 8.167 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 55 0.229 9.336 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 55 1.911 8.570 -9.020 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.868 10.682 -9.774 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.291 11.444 -9.848 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.760 9.036 -11.451 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.382 8.053 -10.903 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.168 9.793 -11.207 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.489 12.107 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.028 11.171 -7.380 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.629 10.397 -7.305 1.00 0.00 H new ATOM 831 N ARG A 56 -1.210 11.344 -7.860 1.00 0.00 N ATOM 832 CA ARG A 56 -2.029 12.566 -8.113 1.00 0.00 C ATOM 833 C ARG A 56 -1.550 13.722 -7.227 1.00 0.00 C ATOM 834 O ARG A 56 -1.674 14.876 -7.584 1.00 0.00 O ATOM 835 CB ARG A 56 -3.497 12.268 -7.805 1.00 0.00 C ATOM 836 CG ARG A 56 -4.312 12.327 -9.098 1.00 0.00 C ATOM 837 CD ARG A 56 -5.343 11.199 -9.100 1.00 0.00 C ATOM 838 NE ARG A 56 -6.595 11.671 -9.755 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.659 11.908 -9.037 1.00 0.00 C ATOM 840 NH1 ARG A 56 -8.309 10.920 -8.487 1.00 0.00 N ATOM 841 NH2 ARG A 56 -8.072 13.134 -8.868 1.00 0.00 N ATOM 0 H ARG A 56 -0.946 11.191 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.920 12.852 -9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.591 11.283 -7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.883 12.991 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.812 13.292 -9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.653 12.234 -9.961 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.948 10.332 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.552 10.881 -8.079 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.621 11.809 -10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.986 9.961 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.140 11.106 -7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.563 13.907 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.903 13.319 -8.307 1.00 0.00 H new ATOM 855 N MET A 57 -1.008 13.429 -6.074 1.00 0.00 N ATOM 856 CA MET A 57 -0.532 14.521 -5.179 1.00 0.00 C ATOM 857 C MET A 57 0.973 14.716 -5.367 1.00 0.00 C ATOM 858 O MET A 57 1.766 13.921 -4.904 1.00 0.00 O ATOM 859 CB MET A 57 -0.822 14.149 -3.721 1.00 0.00 C ATOM 860 CG MET A 57 -0.507 12.669 -3.496 1.00 0.00 C ATOM 861 SD MET A 57 -0.603 12.293 -1.728 1.00 0.00 S ATOM 862 CE MET A 57 -1.433 10.693 -1.888 1.00 0.00 C ATOM 0 H MET A 57 -0.875 12.483 -5.715 1.00 0.00 H new ATOM 0 HA MET A 57 -1.051 15.447 -5.428 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.221 14.765 -3.052 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.867 14.349 -3.485 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.212 12.048 -4.049 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.488 12.436 -3.875 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.517 10.227 -0.906 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.429 10.840 -2.307 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.854 10.047 -2.547 1.00 0.00 H new ATOM 872 N PRO A 58 1.314 15.776 -6.047 1.00 0.00 N ATOM 873 CA PRO A 58 2.748 16.050 -6.282 1.00 0.00 C ATOM 874 C PRO A 58 3.401 16.601 -5.012 1.00 0.00 C ATOM 875 O PRO A 58 2.841 17.429 -4.323 1.00 0.00 O ATOM 876 CB PRO A 58 2.760 17.102 -7.391 1.00 0.00 C ATOM 877 CG PRO A 58 1.385 17.794 -7.343 1.00 0.00 C ATOM 878 CD PRO A 58 0.437 16.835 -6.603 1.00 0.00 C ATOM 0 HA PRO A 58 3.304 15.153 -6.555 1.00 0.00 H new ATOM 0 HB2 PRO A 58 3.564 17.822 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.929 16.640 -8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.450 18.751 -6.825 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.020 18.001 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -0.107 17.351 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.307 16.415 -7.280 1.00 0.00 H new ATOM 886 N GLY A 59 4.585 16.150 -4.700 1.00 0.00 N ATOM 887 CA GLY A 59 5.274 16.650 -3.476 1.00 0.00 C ATOM 888 C GLY A 59 6.070 15.511 -2.837 1.00 0.00 C ATOM 889 O GLY A 59 7.021 15.013 -3.405 1.00 0.00 O ATOM 0 H GLY A 59 5.105 15.458 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.940 17.474 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.543 17.039 -2.767 1.00 0.00 H new ATOM 893 N MET A 60 5.688 15.093 -1.662 1.00 0.00 N ATOM 894 CA MET A 60 6.422 13.985 -0.989 1.00 0.00 C ATOM 895 C MET A 60 5.435 13.138 -0.181 1.00 0.00 C ATOM 896 O MET A 60 5.768 12.602 0.857 1.00 0.00 O ATOM 897 CB MET A 60 7.478 14.571 -0.048 1.00 0.00 C ATOM 898 CG MET A 60 8.393 15.517 -0.830 1.00 0.00 C ATOM 899 SD MET A 60 7.758 17.208 -0.710 1.00 0.00 S ATOM 900 CE MET A 60 8.385 17.570 0.948 1.00 0.00 C ATOM 0 H MET A 60 4.899 15.471 -1.138 1.00 0.00 H new ATOM 0 HA MET A 60 6.908 13.362 -1.740 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.995 15.108 0.768 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.065 13.770 0.401 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.407 15.469 -0.434 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.444 15.210 -1.875 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.568 17.924 1.577 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.810 16.665 1.382 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.155 18.339 0.886 1.00 0.00 H new ATOM 910 N ASP A 61 4.222 13.013 -0.648 1.00 0.00 N ATOM 911 CA ASP A 61 3.218 12.203 0.101 1.00 0.00 C ATOM 912 C ASP A 61 2.417 11.334 -0.874 1.00 0.00 C ATOM 913 O ASP A 61 1.491 10.649 -0.488 1.00 0.00 O ATOM 914 CB ASP A 61 2.265 13.138 0.848 1.00 0.00 C ATOM 915 CG ASP A 61 2.444 12.951 2.356 1.00 0.00 C ATOM 916 OD1 ASP A 61 3.566 12.718 2.776 1.00 0.00 O ATOM 917 OD2 ASP A 61 1.456 13.045 3.067 1.00 0.00 O ATOM 0 H ASP A 61 3.883 13.435 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 61 3.736 11.560 0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.465 14.174 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.234 12.926 0.564 1.00 0.00 H new ATOM 922 N GLY A 62 2.764 11.352 -2.132 1.00 0.00 N ATOM 923 CA GLY A 62 2.015 10.520 -3.119 1.00 0.00 C ATOM 924 C GLY A 62 2.866 9.313 -3.515 1.00 0.00 C ATOM 925 O GLY A 62 2.762 8.249 -2.938 1.00 0.00 O ATOM 0 H GLY A 62 3.530 11.904 -2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.070 10.187 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.772 11.113 -4.001 1.00 0.00 H new ATOM 929 N LEU A 63 3.710 9.469 -4.499 1.00 0.00 N ATOM 930 CA LEU A 63 4.569 8.331 -4.932 1.00 0.00 C ATOM 931 C LEU A 63 5.749 8.187 -3.969 1.00 0.00 C ATOM 932 O LEU A 63 6.580 7.311 -4.115 1.00 0.00 O ATOM 933 CB LEU A 63 5.089 8.597 -6.346 1.00 0.00 C ATOM 934 CG LEU A 63 4.418 7.638 -7.338 1.00 0.00 C ATOM 935 CD1 LEU A 63 2.922 7.528 -7.026 1.00 0.00 C ATOM 936 CD2 LEU A 63 4.599 8.175 -8.759 1.00 0.00 C ATOM 0 H LEU A 63 3.841 10.335 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 63 3.985 7.410 -4.927 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.885 9.629 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.171 8.467 -6.376 1.00 0.00 H new ATOM 0 HG LEU A 63 4.876 6.653 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.452 6.846 -7.734 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.789 7.148 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.460 8.512 -7.109 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.124 7.497 -9.468 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.140 9.161 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.662 8.251 -8.987 1.00 0.00 H new ATOM 948 N ALA A 64 5.828 9.036 -2.980 1.00 0.00 N ATOM 949 CA ALA A 64 6.948 8.942 -2.006 1.00 0.00 C ATOM 950 C ALA A 64 6.773 7.674 -1.169 1.00 0.00 C ATOM 951 O ALA A 64 7.724 7.125 -0.648 1.00 0.00 O ATOM 952 CB ALA A 64 6.929 10.167 -1.089 1.00 0.00 C ATOM 0 H ALA A 64 5.164 9.790 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 64 7.899 8.905 -2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.749 10.099 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.042 11.071 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.982 10.204 -0.551 1.00 0.00 H new ATOM 958 N LEU A 65 5.562 7.205 -1.039 1.00 0.00 N ATOM 959 CA LEU A 65 5.319 5.971 -0.239 1.00 0.00 C ATOM 960 C LEU A 65 5.623 4.738 -1.095 1.00 0.00 C ATOM 961 O LEU A 65 5.506 3.610 -0.649 1.00 0.00 O ATOM 962 CB LEU A 65 3.859 5.945 0.215 1.00 0.00 C ATOM 963 CG LEU A 65 3.617 7.101 1.184 1.00 0.00 C ATOM 964 CD1 LEU A 65 3.081 8.310 0.415 1.00 0.00 C ATOM 965 CD2 LEU A 65 2.597 6.676 2.241 1.00 0.00 C ATOM 0 H LEU A 65 4.729 7.624 -1.453 1.00 0.00 H new ATOM 0 HA LEU A 65 5.969 5.965 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.196 6.031 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.632 4.995 0.699 1.00 0.00 H new ATOM 0 HG LEU A 65 4.555 7.368 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.909 9.134 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.808 8.614 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.143 8.044 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.424 7.501 2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.659 6.408 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.979 5.816 2.791 1.00 0.00 H new ATOM 977 N LEU A 66 6.028 4.942 -2.318 1.00 0.00 N ATOM 978 CA LEU A 66 6.358 3.784 -3.188 1.00 0.00 C ATOM 979 C LEU A 66 7.741 3.264 -2.800 1.00 0.00 C ATOM 980 O LEU A 66 8.132 2.173 -3.163 1.00 0.00 O ATOM 981 CB LEU A 66 6.362 4.225 -4.650 1.00 0.00 C ATOM 982 CG LEU A 66 5.049 3.797 -5.303 1.00 0.00 C ATOM 983 CD1 LEU A 66 4.992 2.269 -5.368 1.00 0.00 C ATOM 984 CD2 LEU A 66 3.877 4.314 -4.467 1.00 0.00 C ATOM 0 H LEU A 66 6.144 5.859 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 66 5.616 2.996 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.480 5.307 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.207 3.779 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 66 4.988 4.208 -6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.056 1.959 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.831 1.898 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.048 1.860 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.938 4.011 -4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.936 3.899 -3.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.920 5.402 -4.413 1.00 0.00 H new ATOM 996 N LYS A 67 8.480 4.039 -2.052 1.00 0.00 N ATOM 997 CA LYS A 67 9.831 3.594 -1.625 1.00 0.00 C ATOM 998 C LYS A 67 9.675 2.522 -0.543 1.00 0.00 C ATOM 999 O LYS A 67 10.338 1.504 -0.571 1.00 0.00 O ATOM 1000 CB LYS A 67 10.615 4.789 -1.076 1.00 0.00 C ATOM 1001 CG LYS A 67 12.054 4.365 -0.772 1.00 0.00 C ATOM 1002 CD LYS A 67 13.022 5.170 -1.641 1.00 0.00 C ATOM 1003 CE LYS A 67 12.828 6.665 -1.378 1.00 0.00 C ATOM 1004 NZ LYS A 67 14.000 7.196 -0.627 1.00 0.00 N ATOM 0 H LYS A 67 8.203 4.962 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 67 10.376 3.180 -2.473 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.611 5.603 -1.801 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.137 5.165 -0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.276 4.527 0.283 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.178 3.299 -0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.050 4.882 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.849 4.951 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.715 7.199 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.913 6.829 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.867 8.212 -0.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.088 6.694 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.865 7.053 -1.187 1.00 0.00 H new ATOM 1018 N GLN A 68 8.795 2.729 0.404 1.00 0.00 N ATOM 1019 CA GLN A 68 8.605 1.695 1.461 1.00 0.00 C ATOM 1020 C GLN A 68 7.943 0.465 0.836 1.00 0.00 C ATOM 1021 O GLN A 68 8.410 -0.643 1.011 1.00 0.00 O ATOM 1022 CB GLN A 68 7.739 2.231 2.615 1.00 0.00 C ATOM 1023 CG GLN A 68 6.531 3.006 2.078 1.00 0.00 C ATOM 1024 CD GLN A 68 6.534 4.419 2.668 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.517 4.902 3.126 1.00 0.00 O ATOM 1026 NE2 GLN A 68 7.645 5.106 2.678 1.00 0.00 N ATOM 0 H GLN A 68 8.208 3.559 0.489 1.00 0.00 H new ATOM 0 HA GLN A 68 9.578 1.428 1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.398 1.402 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.338 2.880 3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.569 3.054 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.607 2.491 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.499 4.701 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.659 6.048 3.070 1.00 0.00 H new ATOM 1035 N ILE A 69 6.853 0.650 0.122 1.00 0.00 N ATOM 1036 CA ILE A 69 6.150 -0.511 -0.505 1.00 0.00 C ATOM 1037 C ILE A 69 7.166 -1.586 -0.926 1.00 0.00 C ATOM 1038 O ILE A 69 7.126 -2.690 -0.437 1.00 0.00 O ATOM 1039 CB ILE A 69 5.313 -0.001 -1.705 1.00 0.00 C ATOM 1040 CG1 ILE A 69 3.964 -0.720 -1.719 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.009 -0.237 -3.051 1.00 0.00 C ATOM 1042 CD1 ILE A 69 3.112 -0.175 -2.865 1.00 0.00 C ATOM 0 H ILE A 69 6.423 1.558 -0.051 1.00 0.00 H new ATOM 0 HA ILE A 69 5.475 -0.976 0.214 1.00 0.00 H new ATOM 0 HB ILE A 69 5.187 1.074 -1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.112 -1.793 -1.840 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.451 -0.574 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.379 0.139 -3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.965 0.287 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.178 -1.305 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.149 -0.686 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.954 0.894 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.625 -0.344 -3.812 1.00 0.00 H new ATOM 1054 N LYS A 70 8.085 -1.275 -1.803 1.00 0.00 N ATOM 1055 CA LYS A 70 9.083 -2.300 -2.231 1.00 0.00 C ATOM 1056 C LYS A 70 10.043 -2.611 -1.084 1.00 0.00 C ATOM 1057 O LYS A 70 10.216 -3.750 -0.700 1.00 0.00 O ATOM 1058 CB LYS A 70 9.880 -1.763 -3.424 1.00 0.00 C ATOM 1059 CG LYS A 70 10.464 -2.935 -4.216 1.00 0.00 C ATOM 1060 CD LYS A 70 9.533 -3.283 -5.380 1.00 0.00 C ATOM 1061 CE LYS A 70 9.556 -4.794 -5.623 1.00 0.00 C ATOM 1062 NZ LYS A 70 10.844 -5.180 -6.268 1.00 0.00 N ATOM 0 H LYS A 70 8.188 -0.359 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 70 8.557 -3.212 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.235 -1.162 -4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.681 -1.110 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.453 -2.675 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.588 -3.801 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.517 -2.956 -5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.847 -2.755 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.437 -5.326 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.719 -5.083 -6.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.856 -6.207 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.940 -4.683 -7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.636 -4.919 -5.646 1.00 0.00 H new ATOM 1076 N GLN A 71 10.686 -1.605 -0.563 1.00 0.00 N ATOM 1077 CA GLN A 71 11.666 -1.807 0.543 1.00 0.00 C ATOM 1078 C GLN A 71 11.227 -2.927 1.500 1.00 0.00 C ATOM 1079 O GLN A 71 12.046 -3.536 2.158 1.00 0.00 O ATOM 1080 CB GLN A 71 11.786 -0.503 1.334 1.00 0.00 C ATOM 1081 CG GLN A 71 13.051 -0.545 2.191 1.00 0.00 C ATOM 1082 CD GLN A 71 12.699 -0.207 3.639 1.00 0.00 C ATOM 1083 OE1 GLN A 71 11.619 -0.518 4.103 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.570 0.424 4.377 1.00 0.00 N ATOM 0 H GLN A 71 10.573 -0.636 -0.860 1.00 0.00 H new ATOM 0 HA GLN A 71 12.621 -2.093 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.823 0.347 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.909 -0.366 1.967 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.506 -1.534 2.138 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.785 0.165 1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.476 0.684 3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.345 0.657 5.344 1.00 0.00 H new ATOM 1093 N ARG A 72 9.949 -3.186 1.618 1.00 0.00 N ATOM 1094 CA ARG A 72 9.505 -4.244 2.575 1.00 0.00 C ATOM 1095 C ARG A 72 9.030 -5.518 1.855 1.00 0.00 C ATOM 1096 O ARG A 72 9.413 -6.610 2.224 1.00 0.00 O ATOM 1097 CB ARG A 72 8.366 -3.696 3.435 1.00 0.00 C ATOM 1098 CG ARG A 72 8.673 -3.950 4.915 1.00 0.00 C ATOM 1099 CD ARG A 72 9.267 -2.686 5.540 1.00 0.00 C ATOM 1100 NE ARG A 72 10.349 -3.062 6.493 1.00 0.00 N ATOM 1101 CZ ARG A 72 10.059 -3.336 7.737 1.00 0.00 C ATOM 1102 NH1 ARG A 72 8.858 -3.741 8.054 1.00 0.00 N ATOM 1103 NH2 ARG A 72 10.968 -3.205 8.665 1.00 0.00 N ATOM 0 H ARG A 72 9.204 -2.719 1.102 1.00 0.00 H new ATOM 0 HA ARG A 72 10.361 -4.514 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.243 -2.628 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.426 -4.175 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.762 -4.235 5.442 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.372 -4.780 5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.664 -2.035 4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.490 -2.125 6.059 1.00 0.00 H new ATOM 0 HE ARG A 72 11.317 -3.105 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.147 -3.843 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.632 -3.955 9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.906 -2.888 8.419 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.740 -3.419 9.636 1.00 0.00 H new ATOM 1117 N HIS A 73 8.184 -5.416 0.859 1.00 0.00 N ATOM 1118 CA HIS A 73 7.705 -6.669 0.198 1.00 0.00 C ATOM 1119 C HIS A 73 8.376 -6.874 -1.183 1.00 0.00 C ATOM 1120 O HIS A 73 8.493 -5.961 -1.969 1.00 0.00 O ATOM 1121 CB HIS A 73 6.168 -6.648 0.086 1.00 0.00 C ATOM 1122 CG HIS A 73 5.660 -5.535 -0.804 1.00 0.00 C ATOM 1123 ND1 HIS A 73 6.488 -4.658 -1.483 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.381 -5.172 -1.150 1.00 0.00 C ATOM 1125 CE1 HIS A 73 5.705 -3.835 -2.206 1.00 0.00 C ATOM 1126 NE2 HIS A 73 4.413 -4.104 -2.038 1.00 0.00 N ATOM 0 H HIS A 73 7.813 -4.544 0.483 1.00 0.00 H new ATOM 0 HA HIS A 73 7.993 -7.520 0.816 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.824 -7.605 -0.305 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.737 -6.537 1.081 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.507 -4.639 -1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.482 -5.647 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.081 -3.050 -2.846 1.00 0.00 H new ATOM 1134 N PRO A 74 8.823 -8.086 -1.434 1.00 0.00 N ATOM 1135 CA PRO A 74 9.485 -8.312 -2.744 1.00 0.00 C ATOM 1136 C PRO A 74 8.974 -9.598 -3.409 1.00 0.00 C ATOM 1137 O PRO A 74 9.473 -10.673 -3.150 1.00 0.00 O ATOM 1138 CB PRO A 74 10.966 -8.465 -2.399 1.00 0.00 C ATOM 1139 CG PRO A 74 11.025 -8.912 -0.927 1.00 0.00 C ATOM 1140 CD PRO A 74 9.667 -8.553 -0.302 1.00 0.00 C ATOM 0 HA PRO A 74 9.288 -7.499 -3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.442 -9.200 -3.048 1.00 0.00 H new ATOM 0 HB3 PRO A 74 11.497 -7.524 -2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.213 -9.983 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.838 -8.410 -0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.221 -9.417 0.191 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.776 -7.775 0.454 1.00 0.00 H new ATOM 1148 N MET A 75 8.001 -9.496 -4.276 1.00 0.00 N ATOM 1149 CA MET A 75 7.486 -10.717 -4.965 1.00 0.00 C ATOM 1150 C MET A 75 6.909 -10.331 -6.334 1.00 0.00 C ATOM 1151 O MET A 75 7.639 -10.109 -7.279 1.00 0.00 O ATOM 1152 CB MET A 75 6.405 -11.377 -4.103 1.00 0.00 C ATOM 1153 CG MET A 75 7.013 -11.794 -2.763 1.00 0.00 C ATOM 1154 SD MET A 75 6.034 -13.129 -2.036 1.00 0.00 S ATOM 1155 CE MET A 75 7.245 -13.633 -0.789 1.00 0.00 C ATOM 0 H MET A 75 7.542 -8.623 -4.536 1.00 0.00 H new ATOM 0 HA MET A 75 8.302 -11.424 -5.111 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.579 -10.684 -3.941 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.995 -12.247 -4.616 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.042 -12.122 -2.907 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.042 -10.941 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.845 -14.464 -0.208 1.00 0.00 H new ATOM 0 HE2 MET A 75 8.166 -13.945 -1.281 1.00 0.00 H new ATOM 0 HE3 MET A 75 7.455 -12.794 -0.125 1.00 0.00 H new ATOM 1165 N LEU A 76 5.610 -10.245 -6.455 1.00 0.00 N ATOM 1166 CA LEU A 76 5.008 -9.870 -7.767 1.00 0.00 C ATOM 1167 C LEU A 76 5.595 -8.532 -8.227 1.00 0.00 C ATOM 1168 O LEU A 76 6.378 -7.928 -7.523 1.00 0.00 O ATOM 1169 CB LEU A 76 3.492 -9.739 -7.607 1.00 0.00 C ATOM 1170 CG LEU A 76 3.176 -9.083 -6.268 1.00 0.00 C ATOM 1171 CD1 LEU A 76 2.229 -7.906 -6.494 1.00 0.00 C ATOM 1172 CD2 LEU A 76 2.512 -10.101 -5.341 1.00 0.00 C ATOM 0 H LEU A 76 4.942 -10.418 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 76 5.229 -10.637 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.080 -9.144 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.024 -10.722 -7.662 1.00 0.00 H new ATOM 0 HG LEU A 76 4.099 -8.728 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.001 -7.434 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.703 -7.179 -7.154 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.307 -8.264 -6.952 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.287 -9.629 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.588 -10.458 -5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.187 -10.942 -5.181 1.00 0.00 H new ATOM 1184 N PRO A 77 5.200 -8.111 -9.401 1.00 0.00 N ATOM 1185 CA PRO A 77 5.739 -6.825 -9.901 1.00 0.00 C ATOM 1186 C PRO A 77 4.931 -5.653 -9.339 1.00 0.00 C ATOM 1187 O PRO A 77 3.919 -5.833 -8.693 1.00 0.00 O ATOM 1188 CB PRO A 77 5.586 -6.905 -11.420 1.00 0.00 C ATOM 1189 CG PRO A 77 4.477 -7.936 -11.684 1.00 0.00 C ATOM 1190 CD PRO A 77 4.380 -8.810 -10.426 1.00 0.00 C ATOM 0 HA PRO A 77 6.774 -6.664 -9.600 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.322 -5.933 -11.837 1.00 0.00 H new ATOM 0 HB3 PRO A 77 6.521 -7.210 -11.890 1.00 0.00 H new ATOM 0 HG2 PRO A 77 3.527 -7.440 -11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.712 -8.542 -12.559 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.346 -8.915 -10.098 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.758 -9.815 -10.615 1.00 0.00 H new ATOM 1198 N VAL A 78 5.377 -4.452 -9.585 1.00 0.00 N ATOM 1199 CA VAL A 78 4.644 -3.259 -9.072 1.00 0.00 C ATOM 1200 C VAL A 78 4.488 -2.248 -10.209 1.00 0.00 C ATOM 1201 O VAL A 78 5.458 -1.759 -10.752 1.00 0.00 O ATOM 1202 CB VAL A 78 5.425 -2.607 -7.918 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.480 -2.360 -6.741 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.566 -3.524 -7.462 1.00 0.00 C ATOM 0 H VAL A 78 6.220 -4.244 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 78 3.666 -3.569 -8.704 1.00 0.00 H new ATOM 0 HB VAL A 78 5.844 -1.663 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.032 -1.898 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.674 -1.697 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.060 -3.309 -6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.110 -3.050 -6.645 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.155 -4.474 -7.121 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.246 -3.701 -8.296 1.00 0.00 H new ATOM 1214 N ILE A 79 3.277 -1.935 -10.580 1.00 0.00 N ATOM 1215 CA ILE A 79 3.072 -0.961 -11.688 1.00 0.00 C ATOM 1216 C ILE A 79 2.419 0.312 -11.144 1.00 0.00 C ATOM 1217 O ILE A 79 1.462 0.262 -10.399 1.00 0.00 O ATOM 1218 CB ILE A 79 2.169 -1.581 -12.754 1.00 0.00 C ATOM 1219 CG1 ILE A 79 2.759 -2.919 -13.206 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.073 -0.638 -13.953 1.00 0.00 C ATOM 1221 CD1 ILE A 79 1.731 -4.029 -12.983 1.00 0.00 C ATOM 0 H ILE A 79 2.424 -2.310 -10.165 1.00 0.00 H new ATOM 0 HA ILE A 79 4.037 -0.711 -12.129 1.00 0.00 H new ATOM 0 HB ILE A 79 1.175 -1.743 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.035 -2.870 -14.259 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.670 -3.134 -12.648 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.429 -1.080 -14.713 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.654 0.316 -13.633 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.067 -0.476 -14.369 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.150 -4.983 -13.304 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.477 -4.083 -11.924 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.832 -3.814 -13.561 1.00 0.00 H new ATOM 1233 N ILE A 80 2.931 1.452 -11.516 1.00 0.00 N ATOM 1234 CA ILE A 80 2.341 2.729 -11.023 1.00 0.00 C ATOM 1235 C ILE A 80 2.116 3.678 -12.206 1.00 0.00 C ATOM 1236 O ILE A 80 2.537 3.412 -13.314 1.00 0.00 O ATOM 1237 CB ILE A 80 3.295 3.371 -10.010 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.445 4.066 -10.744 1.00 0.00 C ATOM 1239 CG2 ILE A 80 3.871 2.290 -9.093 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.494 4.522 -9.729 1.00 0.00 C ATOM 0 H ILE A 80 3.732 1.555 -12.139 1.00 0.00 H new ATOM 0 HA ILE A 80 1.385 2.530 -10.539 1.00 0.00 H new ATOM 0 HB ILE A 80 2.744 4.103 -9.420 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.894 3.385 -11.467 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.069 4.922 -11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.549 2.747 -8.373 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.059 1.793 -8.562 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.415 1.558 -9.690 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.313 5.017 -10.250 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.040 5.218 -9.024 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.878 3.657 -9.189 1.00 0.00 H new ATOM 1252 N MET A 81 1.462 4.784 -11.978 1.00 0.00 N ATOM 1253 CA MET A 81 1.221 5.745 -13.092 1.00 0.00 C ATOM 1254 C MET A 81 2.426 6.678 -13.226 1.00 0.00 C ATOM 1255 O MET A 81 3.137 6.932 -12.274 1.00 0.00 O ATOM 1256 CB MET A 81 -0.030 6.574 -12.793 1.00 0.00 C ATOM 1257 CG MET A 81 -1.069 6.348 -13.892 1.00 0.00 C ATOM 1258 SD MET A 81 -2.629 5.817 -13.144 1.00 0.00 S ATOM 1259 CE MET A 81 -2.057 4.204 -12.557 1.00 0.00 C ATOM 0 H MET A 81 1.085 5.063 -11.072 1.00 0.00 H new ATOM 0 HA MET A 81 1.078 5.194 -14.021 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.443 6.292 -11.824 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.228 7.631 -12.734 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.219 7.266 -14.460 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.714 5.593 -14.594 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.898 3.512 -12.516 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.301 3.816 -13.239 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.627 4.311 -11.561 1.00 0.00 H new ATOM 1269 N THR A 82 2.661 7.195 -14.401 1.00 0.00 N ATOM 1270 CA THR A 82 3.819 8.114 -14.590 1.00 0.00 C ATOM 1271 C THR A 82 3.374 9.554 -14.323 1.00 0.00 C ATOM 1272 O THR A 82 2.316 9.974 -14.747 1.00 0.00 O ATOM 1273 CB THR A 82 4.333 8.003 -16.027 1.00 0.00 C ATOM 1274 OG1 THR A 82 3.420 7.236 -16.798 1.00 0.00 O ATOM 1275 CG2 THR A 82 5.702 7.322 -16.032 1.00 0.00 C ATOM 0 H THR A 82 2.103 7.021 -15.237 1.00 0.00 H new ATOM 0 HA THR A 82 4.614 7.841 -13.897 1.00 0.00 H new ATOM 0 HB THR A 82 4.424 9.001 -16.456 1.00 0.00 H new ATOM 0 HG1 THR A 82 3.748 7.166 -17.719 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.066 7.244 -17.057 1.00 0.00 H new ATOM 0 HG22 THR A 82 6.404 7.911 -15.442 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.614 6.325 -15.602 1.00 0.00 H new ATOM 1283 N ALA A 83 4.175 10.315 -13.626 1.00 0.00 N ATOM 1284 CA ALA A 83 3.792 11.726 -13.340 1.00 0.00 C ATOM 1285 C ALA A 83 4.751 12.326 -12.305 1.00 0.00 C ATOM 1286 O ALA A 83 4.344 13.035 -11.406 1.00 0.00 O ATOM 1287 CB ALA A 83 2.363 11.766 -12.795 1.00 0.00 C ATOM 0 H ALA A 83 5.074 10.021 -13.244 1.00 0.00 H new ATOM 0 HA ALA A 83 3.848 12.307 -14.261 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.082 12.798 -12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.680 11.347 -13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.307 11.181 -11.877 1.00 0.00 H new ATOM 1293 N HIS A 84 6.023 12.054 -12.429 1.00 0.00 N ATOM 1294 CA HIS A 84 7.002 12.617 -11.457 1.00 0.00 C ATOM 1295 C HIS A 84 8.414 12.530 -12.042 1.00 0.00 C ATOM 1296 O HIS A 84 8.652 11.820 -12.996 1.00 0.00 O ATOM 1297 CB HIS A 84 6.939 11.833 -10.147 1.00 0.00 C ATOM 1298 CG HIS A 84 6.135 12.610 -9.142 1.00 0.00 C ATOM 1299 ND1 HIS A 84 5.296 11.994 -8.228 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.030 13.958 -8.899 1.00 0.00 C ATOM 1301 CE1 HIS A 84 4.727 12.961 -7.484 1.00 0.00 C ATOM 1302 NE2 HIS A 84 5.141 14.177 -7.852 1.00 0.00 N ATOM 0 H HIS A 84 6.425 11.467 -13.160 1.00 0.00 H new ATOM 0 HA HIS A 84 6.755 13.661 -11.262 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.486 10.856 -10.316 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.945 11.656 -9.767 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.138 10.991 -8.136 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.558 14.730 -9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.022 12.776 -6.687 1.00 0.00 H new ATOM 1310 N SER A 85 9.355 13.241 -11.474 1.00 0.00 N ATOM 1311 CA SER A 85 10.750 13.184 -11.997 1.00 0.00 C ATOM 1312 C SER A 85 11.267 11.757 -11.856 1.00 0.00 C ATOM 1313 O SER A 85 11.859 11.406 -10.859 1.00 0.00 O ATOM 1314 CB SER A 85 11.642 14.131 -11.192 1.00 0.00 C ATOM 1315 OG SER A 85 12.996 13.939 -11.577 1.00 0.00 O ATOM 0 H SER A 85 9.216 13.857 -10.673 1.00 0.00 H new ATOM 0 HA SER A 85 10.765 13.485 -13.044 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.345 15.165 -11.366 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.525 13.941 -10.125 1.00 0.00 H new ATOM 0 HG SER A 85 13.267 13.020 -11.371 1.00 0.00 H new ATOM 1321 N ASP A 86 11.031 10.919 -12.834 1.00 0.00 N ATOM 1322 CA ASP A 86 11.486 9.503 -12.713 1.00 0.00 C ATOM 1323 C ASP A 86 10.745 8.921 -11.505 1.00 0.00 C ATOM 1324 O ASP A 86 11.227 8.040 -10.758 1.00 0.00 O ATOM 1325 CB ASP A 86 13.006 9.451 -12.493 1.00 0.00 C ATOM 1326 CG ASP A 86 13.656 10.782 -12.891 1.00 0.00 C ATOM 1327 OD1 ASP A 86 13.929 10.956 -14.067 1.00 0.00 O ATOM 1328 OD2 ASP A 86 13.872 11.599 -12.013 1.00 0.00 O ATOM 0 H ASP A 86 10.548 11.152 -13.702 1.00 0.00 H new ATOM 0 HA ASP A 86 11.273 8.934 -13.618 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.220 9.234 -11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.436 8.640 -13.081 1.00 0.00 H new ATOM 1333 N LEU A 87 9.560 9.449 -11.288 1.00 0.00 N ATOM 1334 CA LEU A 87 8.739 9.033 -10.130 1.00 0.00 C ATOM 1335 C LEU A 87 9.703 8.763 -8.994 1.00 0.00 C ATOM 1336 O LEU A 87 9.533 7.856 -8.223 1.00 0.00 O ATOM 1337 CB LEU A 87 7.875 7.813 -10.459 1.00 0.00 C ATOM 1338 CG LEU A 87 8.400 7.111 -11.715 1.00 0.00 C ATOM 1339 CD1 LEU A 87 7.703 5.760 -11.874 1.00 0.00 C ATOM 1340 CD2 LEU A 87 8.108 7.975 -12.945 1.00 0.00 C ATOM 0 H LEU A 87 9.131 10.160 -11.880 1.00 0.00 H new ATOM 0 HA LEU A 87 8.032 9.815 -9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.879 7.119 -9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.841 8.122 -10.613 1.00 0.00 H new ATOM 0 HG LEU A 87 9.475 6.960 -11.620 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.077 5.261 -12.768 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.906 5.141 -11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.628 5.914 -11.967 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.482 7.475 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.032 8.126 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.602 8.941 -12.837 1.00 0.00 H new ATOM 1352 N ASP A 88 10.740 9.587 -8.986 1.00 0.00 N ATOM 1353 CA ASP A 88 11.881 9.536 -8.032 1.00 0.00 C ATOM 1354 C ASP A 88 11.853 8.264 -7.213 1.00 0.00 C ATOM 1355 O ASP A 88 12.745 7.443 -7.299 1.00 0.00 O ATOM 1356 CB ASP A 88 11.850 10.783 -7.147 1.00 0.00 C ATOM 1357 CG ASP A 88 12.714 10.565 -5.900 1.00 0.00 C ATOM 1358 OD1 ASP A 88 12.388 9.680 -5.126 1.00 0.00 O ATOM 1359 OD2 ASP A 88 13.686 11.284 -5.743 1.00 0.00 O ATOM 0 H ASP A 88 10.831 10.345 -9.662 1.00 0.00 H new ATOM 0 HA ASP A 88 12.818 9.526 -8.589 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.215 11.644 -7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 88 10.824 11.005 -6.854 1.00 0.00 H new ATOM 1364 N ALA A 89 10.838 8.062 -6.456 1.00 0.00 N ATOM 1365 CA ALA A 89 10.764 6.807 -5.682 1.00 0.00 C ATOM 1366 C ALA A 89 10.528 5.618 -6.635 1.00 0.00 C ATOM 1367 O ALA A 89 10.193 4.540 -6.185 1.00 0.00 O ATOM 1368 CB ALA A 89 9.615 6.891 -4.674 1.00 0.00 C ATOM 0 H ALA A 89 10.055 8.704 -6.334 1.00 0.00 H new ATOM 0 HA ALA A 89 11.704 6.660 -5.149 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.563 5.963 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.788 7.725 -3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.676 7.044 -5.205 1.00 0.00 H new ATOM 1374 N ALA A 90 10.707 5.761 -7.946 1.00 0.00 N ATOM 1375 CA ALA A 90 10.486 4.580 -8.813 1.00 0.00 C ATOM 1376 C ALA A 90 11.713 4.419 -9.682 1.00 0.00 C ATOM 1377 O ALA A 90 12.557 3.577 -9.448 1.00 0.00 O ATOM 1378 CB ALA A 90 9.259 4.812 -9.695 1.00 0.00 C ATOM 0 H ALA A 90 10.986 6.620 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 90 10.318 3.686 -8.212 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.099 3.942 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.383 4.967 -9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.420 5.692 -10.317 1.00 0.00 H new ATOM 1384 N VAL A 91 11.805 5.230 -10.685 1.00 0.00 N ATOM 1385 CA VAL A 91 12.958 5.172 -11.605 1.00 0.00 C ATOM 1386 C VAL A 91 14.247 4.876 -10.831 1.00 0.00 C ATOM 1387 O VAL A 91 15.172 4.282 -11.349 1.00 0.00 O ATOM 1388 CB VAL A 91 13.061 6.535 -12.269 1.00 0.00 C ATOM 1389 CG1 VAL A 91 14.365 6.623 -13.051 1.00 0.00 C ATOM 1390 CG2 VAL A 91 11.872 6.705 -13.219 1.00 0.00 C ATOM 0 H VAL A 91 11.114 5.946 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 91 12.822 4.380 -12.342 1.00 0.00 H new ATOM 0 HB VAL A 91 13.048 7.322 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.438 7.601 -13.527 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.206 6.486 -12.372 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.385 5.845 -13.814 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.931 7.679 -13.704 1.00 0.00 H new ATOM 0 HG22 VAL A 91 11.896 5.921 -13.975 1.00 0.00 H new ATOM 0 HG23 VAL A 91 10.942 6.636 -12.654 1.00 0.00 H new ATOM 1400 N SER A 92 14.314 5.291 -9.593 1.00 0.00 N ATOM 1401 CA SER A 92 15.542 5.041 -8.785 1.00 0.00 C ATOM 1402 C SER A 92 15.294 3.891 -7.809 1.00 0.00 C ATOM 1403 O SER A 92 14.336 3.154 -7.932 1.00 0.00 O ATOM 1404 CB SER A 92 15.896 6.304 -7.999 1.00 0.00 C ATOM 1405 OG SER A 92 17.052 6.906 -8.570 1.00 0.00 O ATOM 0 H SER A 92 13.570 5.792 -9.107 1.00 0.00 H new ATOM 0 HA SER A 92 16.364 4.778 -9.451 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.061 7.004 -8.018 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.080 6.056 -6.954 1.00 0.00 H new ATOM 0 HG SER A 92 17.280 7.717 -8.069 1.00 0.00 H new ATOM 1411 N ALA A 93 16.151 3.733 -6.837 1.00 0.00 N ATOM 1412 CA ALA A 93 15.966 2.635 -5.850 1.00 0.00 C ATOM 1413 C ALA A 93 16.378 1.306 -6.483 1.00 0.00 C ATOM 1414 O ALA A 93 17.027 1.271 -7.509 1.00 0.00 O ATOM 1415 CB ALA A 93 14.495 2.569 -5.432 1.00 0.00 C ATOM 0 H ALA A 93 16.972 4.319 -6.685 1.00 0.00 H new ATOM 0 HA ALA A 93 16.584 2.825 -4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 93 14.358 1.765 -4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.202 3.517 -4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.876 2.378 -6.309 1.00 0.00 H new ATOM 1421 N TYR A 94 16.007 0.211 -5.879 1.00 0.00 N ATOM 1422 CA TYR A 94 16.381 -1.113 -6.449 1.00 0.00 C ATOM 1423 C TYR A 94 16.113 -1.105 -7.954 1.00 0.00 C ATOM 1424 O TYR A 94 17.001 -1.325 -8.754 1.00 0.00 O ATOM 1425 CB TYR A 94 15.541 -2.208 -5.790 1.00 0.00 C ATOM 1426 CG TYR A 94 16.390 -2.968 -4.798 1.00 0.00 C ATOM 1427 CD1 TYR A 94 17.325 -2.287 -4.010 1.00 0.00 C ATOM 1428 CD2 TYR A 94 16.241 -4.354 -4.666 1.00 0.00 C ATOM 1429 CE1 TYR A 94 18.111 -2.991 -3.090 1.00 0.00 C ATOM 1430 CE2 TYR A 94 17.027 -5.058 -3.746 1.00 0.00 C ATOM 1431 CZ TYR A 94 17.962 -4.377 -2.957 1.00 0.00 C ATOM 1432 OH TYR A 94 18.736 -5.070 -2.049 1.00 0.00 O ATOM 0 H TYR A 94 15.462 0.176 -5.017 1.00 0.00 H new ATOM 0 HA TYR A 94 17.438 -1.306 -6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 94 14.681 -1.767 -5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 94 15.152 -2.888 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 94 17.440 -1.218 -4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.520 -4.880 -5.274 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.833 -2.465 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.912 -6.127 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 94 18.506 -6.022 -2.083 1.00 0.00 H new ATOM 1442 N GLN A 95 14.893 -0.854 -8.346 1.00 0.00 N ATOM 1443 CA GLN A 95 14.562 -0.830 -9.797 1.00 0.00 C ATOM 1444 C GLN A 95 15.095 -2.099 -10.464 1.00 0.00 C ATOM 1445 O GLN A 95 15.839 -2.043 -11.423 1.00 0.00 O ATOM 1446 CB GLN A 95 15.203 0.395 -10.449 1.00 0.00 C ATOM 1447 CG GLN A 95 14.149 1.157 -11.256 1.00 0.00 C ATOM 1448 CD GLN A 95 13.702 0.306 -12.447 1.00 0.00 C ATOM 1449 OE1 GLN A 95 13.011 -0.679 -12.279 1.00 0.00 O ATOM 1450 NE2 GLN A 95 14.071 0.647 -13.651 1.00 0.00 N ATOM 0 H GLN A 95 14.110 -0.664 -7.721 1.00 0.00 H new ATOM 0 HA GLN A 95 13.480 -0.781 -9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.630 1.044 -9.685 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.021 0.087 -11.100 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.293 1.394 -10.624 1.00 0.00 H new ATOM 0 HG3 GLN A 95 14.559 2.104 -11.606 1.00 0.00 H new ATOM 0 HE21 GLN A 95 14.651 1.474 -13.792 1.00 0.00 H new ATOM 0 HE22 GLN A 95 13.779 0.087 -14.452 1.00 0.00 H new ATOM 1459 N GLN A 96 14.719 -3.243 -9.964 1.00 0.00 N ATOM 1460 CA GLN A 96 15.202 -4.517 -10.570 1.00 0.00 C ATOM 1461 C GLN A 96 14.070 -5.550 -10.576 1.00 0.00 C ATOM 1462 O GLN A 96 13.969 -6.365 -11.472 1.00 0.00 O ATOM 1463 CB GLN A 96 16.386 -5.057 -9.764 1.00 0.00 C ATOM 1464 CG GLN A 96 15.959 -5.292 -8.313 1.00 0.00 C ATOM 1465 CD GLN A 96 15.805 -6.794 -8.063 1.00 0.00 C ATOM 1466 OE1 GLN A 96 14.904 -7.418 -8.588 1.00 0.00 O ATOM 1467 NE2 GLN A 96 16.654 -7.403 -7.282 1.00 0.00 N ATOM 0 H GLN A 96 14.098 -3.352 -9.162 1.00 0.00 H new ATOM 0 HA GLN A 96 15.521 -4.327 -11.595 1.00 0.00 H new ATOM 0 HB2 GLN A 96 16.743 -5.989 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.215 -4.350 -9.799 1.00 0.00 H new ATOM 0 HG2 GLN A 96 16.700 -4.873 -7.632 1.00 0.00 H new ATOM 0 HG3 GLN A 96 15.017 -4.781 -8.112 1.00 0.00 H new ATOM 0 HE21 GLN A 96 17.410 -6.878 -6.842 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.562 -8.404 -7.111 1.00 0.00 H new ATOM 1476 N GLY A 97 13.218 -5.526 -9.587 1.00 0.00 N ATOM 1477 CA GLY A 97 12.099 -6.508 -9.546 1.00 0.00 C ATOM 1478 C GLY A 97 11.360 -6.497 -10.885 1.00 0.00 C ATOM 1479 O GLY A 97 11.486 -7.406 -11.682 1.00 0.00 O ATOM 0 H GLY A 97 13.249 -4.869 -8.807 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.485 -7.506 -9.340 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.412 -6.259 -8.737 1.00 0.00 H new ATOM 1483 N ALA A 98 10.590 -5.475 -11.141 1.00 0.00 N ATOM 1484 CA ALA A 98 9.849 -5.413 -12.431 1.00 0.00 C ATOM 1485 C ALA A 98 8.797 -4.301 -12.369 1.00 0.00 C ATOM 1486 O ALA A 98 8.011 -4.228 -11.446 1.00 0.00 O ATOM 1487 CB ALA A 98 9.158 -6.753 -12.686 1.00 0.00 C ATOM 0 H ALA A 98 10.443 -4.683 -10.515 1.00 0.00 H new ATOM 0 HA ALA A 98 10.549 -5.203 -13.240 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.615 -6.709 -13.630 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.906 -7.545 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.460 -6.962 -11.876 1.00 0.00 H new ATOM 1493 N PHE A 99 8.777 -3.439 -13.349 1.00 0.00 N ATOM 1494 CA PHE A 99 7.775 -2.335 -13.353 1.00 0.00 C ATOM 1495 C PHE A 99 7.201 -2.176 -14.763 1.00 0.00 C ATOM 1496 O PHE A 99 7.515 -2.936 -15.659 1.00 0.00 O ATOM 1497 CB PHE A 99 8.449 -1.031 -12.922 1.00 0.00 C ATOM 1498 CG PHE A 99 8.609 -1.021 -11.421 1.00 0.00 C ATOM 1499 CD1 PHE A 99 9.515 -1.895 -10.808 1.00 0.00 C ATOM 1500 CD2 PHE A 99 7.850 -0.140 -10.640 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.663 -1.887 -9.416 1.00 0.00 C ATOM 1502 CE2 PHE A 99 7.997 -0.133 -9.247 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.904 -1.007 -8.635 1.00 0.00 C ATOM 0 H PHE A 99 9.412 -3.452 -14.147 1.00 0.00 H new ATOM 0 HA PHE A 99 6.969 -2.571 -12.658 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.422 -0.936 -13.403 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.851 -0.177 -13.241 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.100 -2.575 -11.409 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.151 0.534 -11.112 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.363 -2.560 -8.944 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.411 0.546 -8.645 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.018 -1.002 -7.561 1.00 0.00 H new ATOM 1513 N ASP A 100 6.358 -1.201 -14.973 1.00 0.00 N ATOM 1514 CA ASP A 100 5.769 -1.013 -16.329 1.00 0.00 C ATOM 1515 C ASP A 100 5.446 0.466 -16.557 1.00 0.00 C ATOM 1516 O ASP A 100 5.682 1.005 -17.619 1.00 0.00 O ATOM 1517 CB ASP A 100 4.482 -1.835 -16.440 1.00 0.00 C ATOM 1518 CG ASP A 100 4.484 -2.614 -17.756 1.00 0.00 C ATOM 1519 OD1 ASP A 100 5.552 -3.032 -18.172 1.00 0.00 O ATOM 1520 OD2 ASP A 100 3.418 -2.779 -18.325 1.00 0.00 O ATOM 0 H ASP A 100 6.053 -0.530 -14.268 1.00 0.00 H new ATOM 0 HA ASP A 100 6.486 -1.344 -17.081 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.404 -2.523 -15.598 1.00 0.00 H new ATOM 0 HB3 ASP A 100 3.614 -1.178 -16.396 1.00 0.00 H new ATOM 1525 N TYR A 101 4.900 1.125 -15.571 1.00 0.00 N ATOM 1526 CA TYR A 101 4.555 2.565 -15.741 1.00 0.00 C ATOM 1527 C TYR A 101 3.289 2.682 -16.592 1.00 0.00 C ATOM 1528 O TYR A 101 3.138 2.007 -17.591 1.00 0.00 O ATOM 1529 CB TYR A 101 5.707 3.293 -16.440 1.00 0.00 C ATOM 1530 CG TYR A 101 7.024 2.775 -15.914 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.383 3.003 -14.582 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.885 2.064 -16.760 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.604 2.523 -14.093 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.105 1.583 -16.272 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.465 1.812 -14.938 1.00 0.00 C ATOM 1536 OH TYR A 101 10.667 1.337 -14.458 1.00 0.00 O ATOM 0 H TYR A 101 4.678 0.729 -14.657 1.00 0.00 H new ATOM 0 HA TYR A 101 4.385 3.016 -14.763 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.648 3.139 -17.517 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.631 4.366 -16.267 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.718 3.550 -13.930 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.607 1.887 -17.789 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.882 2.701 -13.065 1.00 0.00 H new ATOM 0 HE2 TYR A 101 9.769 1.035 -16.924 1.00 0.00 H new ATOM 0 HH TYR A 101 11.142 0.866 -15.174 1.00 0.00 H new ATOM 1546 N LEU A 102 2.375 3.528 -16.203 1.00 0.00 N ATOM 1547 CA LEU A 102 1.118 3.680 -16.989 1.00 0.00 C ATOM 1548 C LEU A 102 0.836 5.164 -17.227 1.00 0.00 C ATOM 1549 O LEU A 102 0.654 5.920 -16.293 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.044 3.057 -16.216 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.787 2.074 -17.120 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.272 0.657 -16.863 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.286 2.132 -16.816 1.00 0.00 C ATOM 0 H LEU A 102 2.444 4.120 -15.375 1.00 0.00 H new ATOM 0 HA LEU A 102 1.229 3.176 -17.949 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.328 2.543 -15.330 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.724 3.836 -15.870 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.617 2.341 -18.163 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.801 -0.045 -17.507 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.796 0.613 -17.079 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.443 0.391 -15.820 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.815 1.431 -17.461 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.456 1.865 -15.773 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.655 3.141 -16.997 1.00 0.00 H new ATOM 1565 N PRO A 103 0.805 5.530 -18.479 1.00 0.00 N ATOM 1566 CA PRO A 103 0.533 6.946 -18.807 1.00 0.00 C ATOM 1567 C PRO A 103 -0.959 7.144 -19.088 1.00 0.00 C ATOM 1568 O PRO A 103 -1.737 6.213 -19.044 1.00 0.00 O ATOM 1569 CB PRO A 103 1.357 7.214 -20.066 1.00 0.00 C ATOM 1570 CG PRO A 103 1.599 5.841 -20.722 1.00 0.00 C ATOM 1571 CD PRO A 103 1.400 4.789 -19.617 1.00 0.00 C ATOM 0 HA PRO A 103 0.793 7.623 -17.993 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.825 7.881 -20.744 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.301 7.698 -19.817 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.903 5.676 -21.545 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.605 5.781 -21.138 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.743 3.986 -19.951 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.347 4.329 -19.336 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.361 8.350 -19.382 1.00 0.00 N ATOM 1580 CA LYS A 104 -2.799 8.606 -19.673 1.00 0.00 C ATOM 1581 C LYS A 104 -2.950 9.020 -21.141 1.00 0.00 C ATOM 1582 O LYS A 104 -2.023 9.543 -21.728 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.315 9.729 -18.768 1.00 0.00 C ATOM 1584 CG LYS A 104 -2.772 9.534 -17.351 1.00 0.00 C ATOM 1585 CD LYS A 104 -1.468 10.317 -17.192 1.00 0.00 C ATOM 1586 CE LYS A 104 -1.574 11.242 -15.977 1.00 0.00 C ATOM 1587 NZ LYS A 104 -0.550 12.321 -16.080 1.00 0.00 N ATOM 0 H LYS A 104 -0.755 9.169 -19.433 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.376 7.701 -19.486 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.002 10.697 -19.158 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.405 9.728 -18.754 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.505 9.875 -16.619 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.598 8.475 -17.159 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.631 9.630 -17.067 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.270 10.901 -18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.572 11.677 -15.925 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.426 10.672 -15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.623 12.949 -15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.399 11.897 -16.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.711 12.871 -16.948 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.112 8.773 -21.697 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.199 8.131 -20.918 1.00 0.00 C ATOM 1603 C PRO A 105 -5.101 6.607 -21.020 1.00 0.00 C ATOM 1604 O PRO A 105 -4.378 6.074 -21.839 1.00 0.00 O ATOM 1605 CB PRO A 105 -6.484 8.634 -21.576 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.100 9.056 -23.008 1.00 0.00 C ATOM 1607 CD PRO A 105 -4.580 9.285 -23.006 1.00 0.00 C ATOM 0 HA PRO A 105 -5.154 8.374 -19.856 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.244 7.853 -21.591 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.901 9.475 -21.022 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -6.374 8.283 -23.726 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -6.628 9.964 -23.299 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.101 8.756 -23.830 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -4.341 10.342 -23.124 1.00 0.00 H new ATOM 1615 N PHE A 106 -5.824 5.902 -20.192 1.00 0.00 N ATOM 1616 CA PHE A 106 -5.778 4.414 -20.236 1.00 0.00 C ATOM 1617 C PHE A 106 -7.112 3.854 -19.738 1.00 0.00 C ATOM 1618 O PHE A 106 -7.793 4.471 -18.944 1.00 0.00 O ATOM 1619 CB PHE A 106 -4.648 3.912 -19.336 1.00 0.00 C ATOM 1620 CG PHE A 106 -4.922 4.326 -17.909 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -4.605 5.621 -17.480 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.496 3.414 -17.014 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -4.862 6.004 -16.157 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.754 3.797 -15.692 1.00 0.00 C ATOM 1625 CZ PHE A 106 -5.436 5.092 -15.264 1.00 0.00 C ATOM 0 H PHE A 106 -6.446 6.295 -19.485 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.600 4.083 -21.259 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.570 2.827 -19.403 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -3.694 4.322 -19.668 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.162 6.325 -18.169 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.740 2.415 -17.344 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -4.617 7.003 -15.826 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.198 3.094 -15.003 1.00 0.00 H new ATOM 0 HZ PHE A 106 -5.634 5.387 -14.244 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.493 2.689 -20.190 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.776 2.103 -19.733 1.00 0.00 C ATOM 1637 C ASP A 107 -8.556 1.419 -18.384 1.00 0.00 C ATOM 1638 O ASP A 107 -7.444 1.320 -17.904 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.239 1.073 -20.758 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.767 1.053 -20.813 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.362 2.084 -20.544 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.316 0.010 -21.124 1.00 0.00 O ATOM 0 H ASP A 107 -6.968 2.122 -20.856 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.531 2.882 -19.628 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.833 1.315 -21.740 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.862 0.086 -20.492 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.601 0.943 -17.763 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.432 0.270 -16.445 1.00 0.00 C ATOM 1649 C ILE A 108 -9.207 -1.225 -16.655 1.00 0.00 C ATOM 1650 O ILE A 108 -8.155 -1.752 -16.350 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.689 0.477 -15.597 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.899 1.973 -15.346 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.526 -0.245 -14.258 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.778 2.504 -14.453 1.00 0.00 C ATOM 0 H ILE A 108 -10.559 0.991 -18.109 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.571 0.699 -15.933 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.552 0.073 -16.126 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.910 2.513 -16.293 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -11.866 2.141 -14.872 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.421 -0.098 -13.654 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.379 -1.310 -14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.662 0.158 -13.730 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.928 3.569 -14.275 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.788 1.972 -13.502 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.817 2.350 -14.945 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.181 -1.916 -17.179 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.015 -3.369 -17.408 1.00 0.00 C ATOM 1668 C ASP A 109 -8.803 -3.583 -18.299 1.00 0.00 C ATOM 1669 O ASP A 109 -7.950 -4.403 -18.027 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.257 -3.896 -18.109 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.207 -5.423 -18.170 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.454 -6.003 -17.405 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.921 -5.987 -18.983 1.00 0.00 O ATOM 0 H ASP A 109 -11.084 -1.532 -17.457 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.876 -3.893 -16.462 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.151 -3.573 -17.576 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.320 -3.484 -19.116 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.716 -2.829 -19.355 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.554 -2.958 -20.266 1.00 0.00 C ATOM 1680 C GLU A 110 -6.290 -3.045 -19.412 1.00 0.00 C ATOM 1681 O GLU A 110 -5.414 -3.854 -19.654 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.499 -1.721 -21.160 1.00 0.00 C ATOM 1683 CG GLU A 110 -6.337 -1.836 -22.145 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.201 -0.908 -21.709 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.155 -0.572 -20.538 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.398 -0.550 -22.554 1.00 0.00 O ATOM 0 H GLU A 110 -9.404 -2.126 -19.626 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.638 -3.848 -20.889 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.438 -1.614 -21.704 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.381 -0.826 -20.549 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.983 -2.866 -22.187 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -6.670 -1.573 -23.149 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.205 -2.229 -18.392 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.027 -2.268 -17.502 1.00 0.00 C ATOM 1695 C ALA A 111 -5.062 -3.563 -16.688 1.00 0.00 C ATOM 1696 O ALA A 111 -4.274 -4.461 -16.908 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.102 -1.068 -16.567 1.00 0.00 C ATOM 0 H ALA A 111 -6.911 -1.536 -18.144 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.103 -2.234 -18.079 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.242 -1.074 -15.898 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.100 -0.149 -17.153 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.019 -1.121 -15.980 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.961 -3.650 -15.736 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.053 -4.873 -14.885 1.00 0.00 C ATOM 1705 C VAL A 112 -5.754 -6.121 -15.719 1.00 0.00 C ATOM 1706 O VAL A 112 -4.733 -6.755 -15.561 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.472 -4.973 -14.316 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.692 -6.366 -13.722 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.656 -3.922 -13.217 1.00 0.00 C ATOM 0 H VAL A 112 -6.638 -2.920 -15.513 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.325 -4.806 -14.076 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.193 -4.800 -15.115 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.702 -6.434 -13.318 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.561 -7.118 -14.500 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.970 -6.540 -12.924 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.665 -3.992 -12.812 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.932 -4.097 -12.421 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.502 -2.927 -13.635 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.648 -6.475 -16.606 1.00 0.00 N ATOM 1720 CA ALA A 113 -6.434 -7.682 -17.454 1.00 0.00 C ATOM 1721 C ALA A 113 -4.976 -7.745 -17.915 1.00 0.00 C ATOM 1722 O ALA A 113 -4.252 -8.654 -17.559 1.00 0.00 O ATOM 1723 CB ALA A 113 -7.352 -7.615 -18.677 1.00 0.00 C ATOM 0 H ALA A 113 -7.521 -5.976 -16.779 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.664 -8.574 -16.871 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -7.196 -8.497 -19.298 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -8.391 -7.580 -18.350 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -7.123 -6.720 -19.255 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.551 -6.793 -18.714 1.00 0.00 N ATOM 1730 CA LEU A 114 -3.146 -6.784 -19.218 1.00 0.00 C ATOM 1731 C LEU A 114 -2.217 -7.347 -18.150 1.00 0.00 C ATOM 1732 O LEU A 114 -1.462 -8.266 -18.383 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.756 -5.340 -19.520 1.00 0.00 C ATOM 1734 CG LEU A 114 -1.248 -5.252 -19.769 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.978 -4.353 -20.977 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.566 -4.660 -18.535 1.00 0.00 C ATOM 0 H LEU A 114 -5.126 -6.016 -19.039 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.065 -7.394 -20.117 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.300 -4.982 -20.394 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.034 -4.696 -18.686 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.854 -6.249 -19.965 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.096 -4.292 -21.152 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.466 -4.771 -21.858 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.371 -3.355 -20.783 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.508 -4.596 -18.709 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.963 -3.663 -18.343 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.757 -5.299 -17.672 1.00 0.00 H new ATOM 1748 N VAL A 115 -2.292 -6.813 -16.970 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.444 -7.325 -15.871 1.00 0.00 C ATOM 1750 C VAL A 115 -1.708 -8.828 -15.721 1.00 0.00 C ATOM 1751 O VAL A 115 -0.806 -9.637 -15.779 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.820 -6.578 -14.584 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.556 -7.455 -13.363 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -0.985 -5.301 -14.479 1.00 0.00 C ATOM 0 H VAL A 115 -2.908 -6.040 -16.719 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.385 -7.167 -16.078 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.881 -6.329 -14.617 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.828 -6.911 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.153 -8.364 -13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.499 -7.717 -13.325 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.249 -4.768 -13.566 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.074 -5.559 -14.455 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.183 -4.665 -15.341 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.943 -9.194 -15.503 1.00 0.00 N ATOM 1765 CA GLU A 116 -3.293 -10.634 -15.325 1.00 0.00 C ATOM 1766 C GLU A 116 -2.445 -11.514 -16.251 1.00 0.00 C ATOM 1767 O GLU A 116 -2.050 -12.604 -15.890 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.771 -10.828 -15.672 1.00 0.00 C ATOM 1769 CG GLU A 116 -5.625 -9.870 -14.838 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.251 -10.006 -13.361 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -4.938 -11.111 -12.948 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.284 -9.003 -12.667 1.00 0.00 O ATOM 0 H GLU A 116 -3.732 -8.551 -15.440 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.099 -10.921 -14.292 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.933 -10.644 -16.734 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.068 -11.859 -15.478 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.469 -8.844 -15.170 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.683 -10.093 -14.978 1.00 0.00 H new ATOM 1779 N ARG A 117 -2.176 -11.058 -17.448 1.00 0.00 N ATOM 1780 CA ARG A 117 -1.371 -11.888 -18.391 1.00 0.00 C ATOM 1781 C ARG A 117 0.125 -11.674 -18.136 1.00 0.00 C ATOM 1782 O ARG A 117 0.912 -12.595 -18.229 1.00 0.00 O ATOM 1783 CB ARG A 117 -1.741 -11.528 -19.840 1.00 0.00 C ATOM 1784 CG ARG A 117 -0.940 -10.317 -20.329 1.00 0.00 C ATOM 1785 CD ARG A 117 0.243 -10.792 -21.172 1.00 0.00 C ATOM 1786 NE ARG A 117 -0.036 -10.527 -22.611 1.00 0.00 N ATOM 1787 CZ ARG A 117 0.646 -9.619 -23.253 1.00 0.00 C ATOM 1788 NH1 ARG A 117 0.942 -8.490 -22.671 1.00 0.00 N ATOM 1789 NH2 ARG A 117 1.034 -9.842 -24.479 1.00 0.00 N ATOM 0 H ARG A 117 -2.477 -10.153 -17.810 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.593 -12.943 -18.228 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.549 -12.381 -20.490 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.808 -11.312 -19.903 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.579 -9.659 -20.918 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -0.584 -9.736 -19.478 1.00 0.00 H new ATOM 0 HD2 ARG A 117 1.153 -10.275 -20.866 1.00 0.00 H new ATOM 0 HD3 ARG A 117 0.412 -11.857 -21.013 1.00 0.00 H new ATOM 0 HE ARG A 117 -0.761 -11.056 -23.095 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.640 -8.316 -21.712 1.00 0.00 H new ATOM 0 HH12 ARG A 117 1.475 -7.781 -23.174 1.00 0.00 H new ATOM 0 HH21 ARG A 117 0.804 -10.725 -24.934 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.567 -9.133 -24.982 1.00 0.00 H new ATOM 1803 N ALA A 118 0.530 -10.482 -17.797 1.00 0.00 N ATOM 1804 CA ALA A 118 1.974 -10.249 -17.520 1.00 0.00 C ATOM 1805 C ALA A 118 2.377 -11.132 -16.341 1.00 0.00 C ATOM 1806 O ALA A 118 3.228 -11.991 -16.457 1.00 0.00 O ATOM 1807 CB ALA A 118 2.199 -8.777 -17.166 1.00 0.00 C ATOM 0 H ALA A 118 -0.072 -9.664 -17.700 1.00 0.00 H new ATOM 0 HA ALA A 118 2.574 -10.493 -18.397 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.257 -8.609 -16.964 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.885 -8.150 -18.001 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.615 -8.522 -16.281 1.00 0.00 H new ATOM 1813 N ILE A 119 1.762 -10.914 -15.207 1.00 0.00 N ATOM 1814 CA ILE A 119 2.071 -11.717 -13.993 1.00 0.00 C ATOM 1815 C ILE A 119 2.399 -13.162 -14.381 1.00 0.00 C ATOM 1816 O ILE A 119 3.324 -13.758 -13.865 1.00 0.00 O ATOM 1817 CB ILE A 119 0.838 -11.702 -13.091 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.370 -10.255 -12.898 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.184 -12.317 -11.731 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.616 -10.179 -11.731 1.00 0.00 C ATOM 0 H ILE A 119 1.046 -10.200 -15.072 1.00 0.00 H new ATOM 0 HA ILE A 119 2.933 -11.293 -13.478 1.00 0.00 H new ATOM 0 HB ILE A 119 0.042 -12.285 -13.554 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.226 -9.609 -12.705 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.104 -9.892 -13.810 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.302 -12.304 -11.091 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.516 -13.346 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.981 -11.739 -11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.945 -9.148 -11.599 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.479 -10.811 -11.942 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.128 -10.524 -10.819 1.00 0.00 H new ATOM 1832 N SER A 120 1.647 -13.730 -15.289 1.00 0.00 N ATOM 1833 CA SER A 120 1.917 -15.135 -15.706 1.00 0.00 C ATOM 1834 C SER A 120 2.577 -15.139 -17.087 1.00 0.00 C ATOM 1835 O SER A 120 2.094 -15.756 -18.016 1.00 0.00 O ATOM 1836 CB SER A 120 0.601 -15.910 -15.771 1.00 0.00 C ATOM 1837 OG SER A 120 -0.462 -15.066 -15.348 1.00 0.00 O ATOM 0 H SER A 120 0.860 -13.281 -15.758 1.00 0.00 H new ATOM 0 HA SER A 120 2.582 -15.606 -14.982 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.421 -16.259 -16.788 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.654 -16.794 -15.135 1.00 0.00 H new ATOM 0 HG SER A 120 -1.308 -15.559 -15.390 1.00 0.00 H new ATOM 1843 N HIS A 121 3.678 -14.455 -17.229 1.00 0.00 N ATOM 1844 CA HIS A 121 4.371 -14.419 -18.548 1.00 0.00 C ATOM 1845 C HIS A 121 5.881 -14.530 -18.332 1.00 0.00 C ATOM 1846 O HIS A 121 6.510 -15.481 -18.751 1.00 0.00 O ATOM 1847 CB HIS A 121 4.053 -13.098 -19.253 1.00 0.00 C ATOM 1848 CG HIS A 121 4.552 -13.152 -20.671 1.00 0.00 C ATOM 1849 ND1 HIS A 121 4.425 -14.284 -21.459 1.00 0.00 N ATOM 1850 CD2 HIS A 121 5.182 -12.218 -21.457 1.00 0.00 C ATOM 1851 CE1 HIS A 121 4.965 -14.007 -22.659 1.00 0.00 C ATOM 1852 NE2 HIS A 121 5.441 -12.760 -22.711 1.00 0.00 N ATOM 0 H HIS A 121 4.129 -13.918 -16.488 1.00 0.00 H new ATOM 0 HA HIS A 121 4.029 -15.252 -19.163 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.978 -12.917 -19.241 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.522 -12.269 -18.723 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.437 -11.215 -21.148 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.009 -14.707 -23.480 1.00 0.00 H new ATOM 0 HE2 HIS A 121 5.897 -12.303 -23.501 1.00 0.00 H new ATOM 1860 N TYR A 122 6.468 -13.560 -17.684 1.00 0.00 N ATOM 1861 CA TYR A 122 7.932 -13.600 -17.443 1.00 0.00 C ATOM 1862 C TYR A 122 8.218 -14.281 -16.100 1.00 0.00 C ATOM 1863 O TYR A 122 9.194 -13.982 -15.439 1.00 0.00 O ATOM 1864 CB TYR A 122 8.463 -12.170 -17.412 1.00 0.00 C ATOM 1865 CG TYR A 122 7.985 -11.479 -16.155 1.00 0.00 C ATOM 1866 CD1 TYR A 122 6.710 -10.905 -16.115 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.818 -11.414 -15.033 1.00 0.00 C ATOM 1868 CE1 TYR A 122 6.267 -10.263 -14.952 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.376 -10.774 -13.870 1.00 0.00 C ATOM 1870 CZ TYR A 122 7.100 -10.199 -13.830 1.00 0.00 C ATOM 1871 OH TYR A 122 6.665 -9.567 -12.682 1.00 0.00 O ATOM 0 H TYR A 122 5.991 -12.739 -17.311 1.00 0.00 H new ATOM 0 HA TYR A 122 8.421 -14.163 -18.238 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.553 -12.175 -17.444 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.120 -11.625 -18.292 1.00 0.00 H new ATOM 0 HD1 TYR A 122 6.067 -10.957 -16.981 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.802 -11.858 -15.065 1.00 0.00 H new ATOM 0 HE1 TYR A 122 5.283 -9.818 -14.921 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.019 -10.724 -13.004 1.00 0.00 H new ATOM 0 HH TYR A 122 7.365 -9.614 -11.998 1.00 0.00 H new ATOM 1881 N GLN A 123 7.377 -15.191 -15.689 1.00 0.00 N ATOM 1882 CA GLN A 123 7.603 -15.885 -14.388 1.00 0.00 C ATOM 1883 C GLN A 123 8.638 -16.996 -14.574 1.00 0.00 C ATOM 1884 O GLN A 123 9.184 -17.515 -13.620 1.00 0.00 O ATOM 1885 CB GLN A 123 6.290 -16.491 -13.894 1.00 0.00 C ATOM 1886 CG GLN A 123 5.798 -15.719 -12.667 1.00 0.00 C ATOM 1887 CD GLN A 123 4.433 -16.261 -12.240 1.00 0.00 C ATOM 1888 OE1 GLN A 123 3.610 -15.531 -11.727 1.00 0.00 O ATOM 1889 NE2 GLN A 123 4.158 -17.523 -12.430 1.00 0.00 N ATOM 0 H GLN A 123 6.543 -15.484 -16.198 1.00 0.00 H new ATOM 0 HA GLN A 123 7.968 -15.166 -13.655 1.00 0.00 H new ATOM 0 HB2 GLN A 123 5.540 -16.454 -14.684 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.435 -17.541 -13.641 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.513 -15.819 -11.850 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.724 -14.656 -12.898 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.850 -18.136 -12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 123 3.252 -17.896 -12.147 1.00 0.00 H new ATOM 1898 N GLU A 124 8.913 -17.369 -15.795 1.00 0.00 N ATOM 1899 CA GLU A 124 9.911 -18.448 -16.037 1.00 0.00 C ATOM 1900 C GLU A 124 10.587 -18.227 -17.393 1.00 0.00 C ATOM 1901 O GLU A 124 10.759 -17.079 -17.766 1.00 0.00 O ATOM 1902 CB GLU A 124 9.205 -19.805 -16.034 1.00 0.00 C ATOM 1903 CG GLU A 124 9.823 -20.701 -14.959 1.00 0.00 C ATOM 1904 CD GLU A 124 11.348 -20.668 -15.081 1.00 0.00 C ATOM 1905 OE1 GLU A 124 11.848 -21.076 -16.116 1.00 0.00 O ATOM 1906 OE2 GLU A 124 11.988 -20.234 -14.137 1.00 0.00 O ATOM 1907 OXT GLU A 124 10.922 -19.210 -18.033 1.00 0.00 O ATOM 0 H GLU A 124 8.490 -16.973 -16.634 1.00 0.00 H new ATOM 0 HA GLU A 124 10.664 -18.428 -15.250 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.140 -19.672 -15.843 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.297 -20.277 -17.012 1.00 0.00 H new ATOM 0 HG2 GLU A 124 9.519 -20.361 -13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 124 9.461 -21.723 -15.070 1.00 0.00 H new