USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 SER OG : rot 153:sc= -1.06 USER MOD Set 1.2: A 102 TYR OH : rot -29:sc= -0.994 USER MOD Set 2.1: A 37 GLN : amide:sc= -1.15 K(o=-1.5,f=0.54) USER MOD Set 2.2: A 87 SER OG : rot 169:sc= -0.306 USER MOD Set 3.1: A 57 THR OG1 : rot -92:sc= 0.416 USER MOD Set 3.2: A 84 THR OG1 : rot 180:sc= 0.45 USER MOD Set 4.1: A 17 TYR OH : rot -14:sc=0.000367 USER MOD Set 4.2: A 29 HIS : no HD1:sc= -0.579 K(o=-0.58,f=0.02) USER MOD Set 5.1: A 12 THR OG1 : rot -66:sc= 0.202 USER MOD Set 5.2: A 32 SER OG : rot 174:sc= 0.15 USER MOD Single : A 1 MET CE :methyl 170:sc=-0.00122 (180deg=-0.137) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0821 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.63 K(o=-1.6,f=-4.7!) USER MOD Single : A 13 GLN : amide:sc= -2.39! C(o=-2.4!,f=-4.1!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0.181 K(o=0.18,f=-1.4) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.0814 USER MOD Single : A 26 HIS : no HD1:sc=-0.00945 X(o=-0.0094,f=-0.25) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= -0.0237 (180deg=-0.173) USER MOD Single : A 44 THR OG1 : rot -86:sc= 0.0479 USER MOD Single : A 45 ASN : amide:sc= -0.913 K(o=-0.91,f=-0.00041) USER MOD Single : A 47 LYS NZ :NH3+ -118:sc= -0.235 (180deg=-1.9!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0372) USER MOD Single : A 55 SER OG : rot 36:sc= 0.139 USER MOD Single : A 58 GLN : amide:sc= 0.00392 K(o=0.0039,f=-4.4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0.909 (180deg=0.797) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -173:sc=-0.00174 (180deg=-0.0543) USER MOD Single : A 89 ASN : amide:sc= 0.346 K(o=0.35,f=-6.6!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.7!) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00171 USER MOD Single : A 105 ASN : amide:sc= -1.78 K(o=-1.8,f=-6.1!) USER MOD Single : A 106 THR OG1 : rot 65:sc= 0.576 USER MOD Single : A 108 THR OG1 : rot -31:sc= 0.0855 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 110 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00479) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -1.49! K(o=-1.5!,f=-0.096) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.11 K(o=0.11,f=-1.4) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 121 HIS : no HD1:sc= -0.348 X(o=-0.35,f=-0.0094) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 22.283 -28.794 1.691 1.00 0.00 N ATOM 2 CA MET A 1 20.831 -28.829 1.379 1.00 0.00 C ATOM 3 C MET A 1 20.236 -27.410 1.469 1.00 0.00 C ATOM 4 O MET A 1 20.836 -26.512 2.073 1.00 0.00 O ATOM 5 CB MET A 1 20.094 -29.828 2.328 1.00 0.00 C ATOM 6 CG MET A 1 18.600 -30.044 2.032 1.00 0.00 C ATOM 7 SD MET A 1 17.836 -31.303 3.074 1.00 0.00 S ATOM 8 CE MET A 1 17.914 -30.545 4.700 1.00 0.00 C ATOM 0 H1 MET A 1 22.829 -28.982 0.826 1.00 0.00 H new ATOM 0 H2 MET A 1 22.536 -27.856 2.063 1.00 0.00 H new ATOM 0 H3 MET A 1 22.503 -29.519 2.403 1.00 0.00 H new ATOM 0 HA MET A 1 20.691 -29.184 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.600 -30.792 2.275 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.195 -29.470 3.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.071 -29.101 2.168 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.482 -30.328 0.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.322 -31.131 5.403 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.950 -30.512 5.037 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.517 -29.531 4.648 1.00 0.00 H new ATOM 20 N ILE A 2 19.077 -27.211 0.822 1.00 0.00 N ATOM 21 CA ILE A 2 18.340 -25.937 0.796 1.00 0.00 C ATOM 22 C ILE A 2 16.986 -26.097 1.535 1.00 0.00 C ATOM 23 O ILE A 2 16.453 -27.209 1.628 1.00 0.00 O ATOM 24 CB ILE A 2 18.089 -25.507 -0.707 1.00 0.00 C ATOM 25 CG1 ILE A 2 19.428 -25.400 -1.511 1.00 0.00 C ATOM 26 CG2 ILE A 2 17.312 -24.185 -0.794 1.00 0.00 C ATOM 27 CD1 ILE A 2 20.387 -24.300 -1.066 1.00 0.00 C ATOM 0 H ILE A 2 18.615 -27.949 0.290 1.00 0.00 H new ATOM 0 HA ILE A 2 18.926 -25.167 1.298 1.00 0.00 H new ATOM 0 HB ILE A 2 17.483 -26.292 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 2 19.947 -26.356 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 2 19.186 -25.241 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.158 -23.921 -1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 2 16.346 -24.298 -0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 2 17.880 -23.396 -0.301 1.00 0.00 H new ATOM 0 HD11 ILE A 2 21.279 -24.320 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.898 -23.331 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 2 20.670 -24.463 -0.026 1.00 0.00 H new ATOM 39 N GLU A 3 16.443 -24.984 2.072 1.00 0.00 N ATOM 40 CA GLU A 3 15.047 -24.898 2.554 1.00 0.00 C ATOM 41 C GLU A 3 14.304 -23.809 1.740 1.00 0.00 C ATOM 42 O GLU A 3 14.947 -22.861 1.270 1.00 0.00 O ATOM 43 CB GLU A 3 14.991 -24.560 4.074 1.00 0.00 C ATOM 44 CG GLU A 3 15.557 -23.175 4.452 1.00 0.00 C ATOM 45 CD GLU A 3 15.152 -22.711 5.863 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.977 -22.331 6.050 1.00 0.00 O ATOM 47 OE2 GLU A 3 15.996 -22.715 6.785 1.00 0.00 O ATOM 0 H GLU A 3 16.964 -24.114 2.184 1.00 0.00 H new ATOM 0 HA GLU A 3 14.566 -25.866 2.414 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.954 -24.616 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.543 -25.324 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.645 -23.205 4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.214 -22.440 3.724 1.00 0.00 H new ATOM 54 N PRO A 4 12.953 -23.918 1.536 1.00 0.00 N ATOM 55 CA PRO A 4 12.168 -22.835 0.904 1.00 0.00 C ATOM 56 C PRO A 4 11.787 -21.728 1.929 1.00 0.00 C ATOM 57 O PRO A 4 11.166 -22.003 2.967 1.00 0.00 O ATOM 58 CB PRO A 4 10.936 -23.602 0.371 1.00 0.00 C ATOM 59 CG PRO A 4 10.725 -24.724 1.347 1.00 0.00 C ATOM 60 CD PRO A 4 12.102 -25.101 1.866 1.00 0.00 C ATOM 0 HA PRO A 4 12.705 -22.292 0.126 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.061 -22.955 0.318 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.113 -23.982 -0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.074 -24.412 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.245 -25.575 0.864 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.085 -25.293 2.939 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.475 -26.006 1.386 1.00 0.00 H new ATOM 68 N ILE A 5 12.160 -20.473 1.626 1.00 0.00 N ATOM 69 CA ILE A 5 11.934 -19.314 2.526 1.00 0.00 C ATOM 70 C ILE A 5 11.092 -18.234 1.841 1.00 0.00 C ATOM 71 O ILE A 5 10.814 -18.325 0.636 1.00 0.00 O ATOM 72 CB ILE A 5 13.301 -18.685 3.004 1.00 0.00 C ATOM 73 CG1 ILE A 5 14.143 -18.204 1.785 1.00 0.00 C ATOM 74 CG2 ILE A 5 14.094 -19.676 3.867 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.459 -17.519 2.113 1.00 0.00 C ATOM 0 H ILE A 5 12.627 -20.227 0.753 1.00 0.00 H new ATOM 0 HA ILE A 5 11.392 -19.688 3.395 1.00 0.00 H new ATOM 0 HB ILE A 5 13.075 -17.816 3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.353 -19.065 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.535 -17.516 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.031 -19.216 4.182 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.508 -19.943 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.308 -20.574 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.958 -17.228 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.267 -16.632 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.098 -18.205 2.669 1.00 0.00 H new ATOM 87 N LYS A 6 10.687 -17.222 2.637 1.00 0.00 N ATOM 88 CA LYS A 6 9.955 -16.043 2.149 1.00 0.00 C ATOM 89 C LYS A 6 9.892 -14.954 3.233 1.00 0.00 C ATOM 90 O LYS A 6 9.862 -15.257 4.432 1.00 0.00 O ATOM 91 CB LYS A 6 8.509 -16.382 1.645 1.00 0.00 C ATOM 92 CG LYS A 6 7.445 -16.682 2.731 1.00 0.00 C ATOM 93 CD LYS A 6 7.686 -18.001 3.511 1.00 0.00 C ATOM 94 CE LYS A 6 7.515 -19.254 2.641 1.00 0.00 C ATOM 95 NZ LYS A 6 7.837 -20.510 3.381 1.00 0.00 N ATOM 0 H LYS A 6 10.862 -17.204 3.642 1.00 0.00 H new ATOM 0 HA LYS A 6 10.514 -15.671 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.154 -15.546 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.573 -17.246 0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.421 -15.854 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.463 -16.726 2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.693 -17.990 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.993 -18.052 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.489 -19.303 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.160 -19.176 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.706 -21.327 2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.824 -20.478 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.205 -20.601 4.202 1.00 0.00 H new ATOM 109 N ARG A 7 9.914 -13.682 2.795 1.00 0.00 N ATOM 110 CA ARG A 7 9.646 -12.509 3.658 1.00 0.00 C ATOM 111 C ARG A 7 8.267 -11.915 3.333 1.00 0.00 C ATOM 112 O ARG A 7 7.684 -12.211 2.286 1.00 0.00 O ATOM 113 CB ARG A 7 10.742 -11.432 3.471 1.00 0.00 C ATOM 114 CG ARG A 7 12.156 -11.877 3.860 1.00 0.00 C ATOM 115 CD ARG A 7 13.235 -10.831 3.514 1.00 0.00 C ATOM 116 NE ARG A 7 13.088 -9.564 4.262 1.00 0.00 N ATOM 117 CZ ARG A 7 13.629 -9.301 5.466 1.00 0.00 C ATOM 118 NH1 ARG A 7 14.366 -10.205 6.111 1.00 0.00 N ATOM 119 NH2 ARG A 7 13.454 -8.110 6.009 1.00 0.00 N ATOM 0 H ARG A 7 10.119 -13.434 1.827 1.00 0.00 H new ATOM 0 HA ARG A 7 9.656 -12.838 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.749 -11.119 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.476 -10.557 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.185 -12.080 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.389 -12.813 3.352 1.00 0.00 H new ATOM 0 HD2 ARG A 7 14.219 -11.253 3.720 1.00 0.00 H new ATOM 0 HD3 ARG A 7 13.196 -10.620 2.445 1.00 0.00 H new ATOM 0 HE ARG A 7 12.530 -8.828 3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.531 -11.121 5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 7 14.765 -9.981 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.913 -7.399 5.516 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.860 -7.901 6.921 1.00 0.00 H new ATOM 133 N THR A 8 7.770 -11.051 4.232 1.00 0.00 N ATOM 134 CA THR A 8 6.442 -10.431 4.133 1.00 0.00 C ATOM 135 C THR A 8 6.561 -8.912 4.371 1.00 0.00 C ATOM 136 O THR A 8 6.795 -8.478 5.502 1.00 0.00 O ATOM 137 CB THR A 8 5.474 -11.077 5.186 1.00 0.00 C ATOM 138 OG1 THR A 8 5.365 -12.485 4.936 1.00 0.00 O ATOM 139 CG2 THR A 8 4.069 -10.447 5.175 1.00 0.00 C ATOM 0 H THR A 8 8.289 -10.760 5.061 1.00 0.00 H new ATOM 0 HA THR A 8 6.035 -10.600 3.136 1.00 0.00 H new ATOM 0 HB THR A 8 5.903 -10.891 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.762 -12.888 5.595 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.445 -10.935 5.924 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.145 -9.384 5.403 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.620 -10.575 4.190 1.00 0.00 H new ATOM 147 N GLN A 9 6.438 -8.111 3.302 1.00 0.00 N ATOM 148 CA GLN A 9 6.442 -6.642 3.412 1.00 0.00 C ATOM 149 C GLN A 9 5.071 -6.107 3.006 1.00 0.00 C ATOM 150 O GLN A 9 4.735 -6.089 1.821 1.00 0.00 O ATOM 151 CB GLN A 9 7.568 -6.032 2.540 1.00 0.00 C ATOM 152 CG GLN A 9 7.967 -4.577 2.865 1.00 0.00 C ATOM 153 CD GLN A 9 8.670 -4.409 4.231 1.00 0.00 C ATOM 154 OE1 GLN A 9 8.346 -5.067 5.219 1.00 0.00 O ATOM 155 NE2 GLN A 9 9.698 -3.583 4.274 1.00 0.00 N ATOM 0 H GLN A 9 6.334 -8.456 2.348 1.00 0.00 H new ATOM 0 HA GLN A 9 6.641 -6.353 4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.454 -6.660 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.256 -6.077 1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.627 -4.208 2.080 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.073 -3.954 2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.954 -3.044 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.236 -3.483 5.135 1.00 0.00 H new ATOM 164 N VAL A 10 4.264 -5.721 3.998 1.00 0.00 N ATOM 165 CA VAL A 10 2.929 -5.188 3.752 1.00 0.00 C ATOM 166 C VAL A 10 2.999 -3.658 3.586 1.00 0.00 C ATOM 167 O VAL A 10 3.691 -2.963 4.347 1.00 0.00 O ATOM 168 CB VAL A 10 1.913 -5.597 4.887 1.00 0.00 C ATOM 169 CG1 VAL A 10 1.821 -7.134 5.007 1.00 0.00 C ATOM 170 CG2 VAL A 10 2.263 -4.964 6.250 1.00 0.00 C ATOM 0 H VAL A 10 4.518 -5.770 4.985 1.00 0.00 H new ATOM 0 HA VAL A 10 2.554 -5.625 2.827 1.00 0.00 H new ATOM 0 HB VAL A 10 0.938 -5.206 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.115 -7.396 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.480 -7.553 4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.803 -7.539 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.532 -5.278 6.995 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.257 -5.288 6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.247 -3.878 6.161 1.00 0.00 H new ATOM 180 N VAL A 11 2.349 -3.148 2.535 1.00 0.00 N ATOM 181 CA VAL A 11 2.205 -1.710 2.298 1.00 0.00 C ATOM 182 C VAL A 11 0.808 -1.293 2.772 1.00 0.00 C ATOM 183 O VAL A 11 -0.197 -1.657 2.161 1.00 0.00 O ATOM 184 CB VAL A 11 2.445 -1.358 0.782 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.125 0.119 0.484 1.00 0.00 C ATOM 186 CG2 VAL A 11 3.904 -1.697 0.378 1.00 0.00 C ATOM 0 H VAL A 11 1.906 -3.726 1.821 1.00 0.00 H new ATOM 0 HA VAL A 11 2.958 -1.156 2.858 1.00 0.00 H new ATOM 0 HB VAL A 11 1.764 -1.964 0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.303 0.324 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.080 0.320 0.722 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.765 0.760 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.058 -1.449 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.595 -1.119 0.992 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.086 -2.761 0.530 1.00 0.00 H new ATOM 196 N THR A 12 0.768 -0.574 3.899 1.00 0.00 N ATOM 197 CA THR A 12 -0.472 -0.221 4.593 1.00 0.00 C ATOM 198 C THR A 12 -0.944 1.181 4.190 1.00 0.00 C ATOM 199 O THR A 12 -0.319 2.166 4.573 1.00 0.00 O ATOM 200 CB THR A 12 -0.241 -0.295 6.141 1.00 0.00 C ATOM 201 OG1 THR A 12 0.105 -1.642 6.502 1.00 0.00 O ATOM 202 CG2 THR A 12 -1.469 0.142 6.956 1.00 0.00 C ATOM 0 H THR A 12 1.606 -0.218 4.359 1.00 0.00 H new ATOM 0 HA THR A 12 -1.249 -0.930 4.309 1.00 0.00 H new ATOM 0 HB THR A 12 0.566 0.398 6.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.661 -2.231 6.339 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.245 0.068 8.020 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.721 1.173 6.709 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.313 -0.505 6.717 1.00 0.00 H new ATOM 210 N GLN A 13 -2.024 1.248 3.396 1.00 0.00 N ATOM 211 CA GLN A 13 -2.734 2.502 3.089 1.00 0.00 C ATOM 212 C GLN A 13 -3.817 2.736 4.159 1.00 0.00 C ATOM 213 O GLN A 13 -4.773 1.961 4.269 1.00 0.00 O ATOM 214 CB GLN A 13 -3.333 2.454 1.641 1.00 0.00 C ATOM 215 CG GLN A 13 -4.514 3.420 1.338 1.00 0.00 C ATOM 216 CD GLN A 13 -4.201 4.932 1.383 1.00 0.00 C ATOM 217 OE1 GLN A 13 -3.343 5.406 2.122 1.00 0.00 O ATOM 218 NE2 GLN A 13 -4.932 5.701 0.600 1.00 0.00 N ATOM 0 H GLN A 13 -2.433 0.429 2.946 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.040 3.342 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.531 2.666 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.669 1.435 1.446 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.903 3.182 0.348 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.312 3.216 2.052 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.639 5.286 -0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.790 6.711 0.600 1.00 0.00 H new ATOM 227 N THR A 14 -3.630 3.791 4.955 1.00 0.00 N ATOM 228 CA THR A 14 -4.555 4.214 5.997 1.00 0.00 C ATOM 229 C THR A 14 -5.253 5.502 5.533 1.00 0.00 C ATOM 230 O THR A 14 -4.628 6.567 5.457 1.00 0.00 O ATOM 231 CB THR A 14 -3.780 4.445 7.327 1.00 0.00 C ATOM 232 OG1 THR A 14 -3.083 3.239 7.677 1.00 0.00 O ATOM 233 CG2 THR A 14 -4.711 4.852 8.477 1.00 0.00 C ATOM 0 H THR A 14 -2.806 4.388 4.887 1.00 0.00 H new ATOM 0 HA THR A 14 -5.306 3.444 6.177 1.00 0.00 H new ATOM 0 HB THR A 14 -3.078 5.264 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.591 3.377 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.125 5.002 9.384 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.224 5.778 8.219 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.446 4.065 8.646 1.00 0.00 H new ATOM 241 N ILE A 15 -6.532 5.391 5.168 1.00 0.00 N ATOM 242 CA ILE A 15 -7.290 6.501 4.605 1.00 0.00 C ATOM 243 C ILE A 15 -8.268 7.110 5.633 1.00 0.00 C ATOM 244 O ILE A 15 -8.936 6.395 6.434 1.00 0.00 O ATOM 245 CB ILE A 15 -8.012 6.083 3.279 1.00 0.00 C ATOM 246 CG1 ILE A 15 -8.674 7.308 2.591 1.00 0.00 C ATOM 247 CG2 ILE A 15 -9.035 4.955 3.499 1.00 0.00 C ATOM 248 CD1 ILE A 15 -9.241 6.998 1.233 1.00 0.00 C ATOM 0 H ILE A 15 -7.068 4.528 5.256 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.579 7.287 4.350 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.244 5.690 2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.471 7.688 3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.936 8.104 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.508 4.702 2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.528 4.076 3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.796 5.286 4.206 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -9.687 7.898 0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.444 6.647 0.578 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -10.003 6.224 1.325 1.00 0.00 H new ATOM 260 N HIS A 16 -8.283 8.458 5.599 1.00 0.00 N ATOM 261 CA HIS A 16 -9.081 9.336 6.446 1.00 0.00 C ATOM 262 C HIS A 16 -10.077 10.108 5.566 1.00 0.00 C ATOM 263 O HIS A 16 -9.903 10.217 4.344 1.00 0.00 O ATOM 264 CB HIS A 16 -8.166 10.353 7.188 1.00 0.00 C ATOM 265 CG HIS A 16 -7.115 9.761 8.102 1.00 0.00 C ATOM 266 ND1 HIS A 16 -6.974 10.136 9.423 1.00 0.00 N ATOM 267 CD2 HIS A 16 -6.098 8.894 7.857 1.00 0.00 C ATOM 268 CE1 HIS A 16 -5.937 9.515 9.948 1.00 0.00 C ATOM 269 NE2 HIS A 16 -5.386 8.765 9.018 1.00 0.00 N ATOM 0 H HIS A 16 -7.704 8.981 4.941 1.00 0.00 H new ATOM 0 HA HIS A 16 -9.612 8.733 7.183 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.664 10.970 6.443 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.799 11.017 7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.890 8.399 6.920 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.597 9.606 10.969 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.560 8.180 9.143 1.00 0.00 H new ATOM 278 N TYR A 17 -11.114 10.640 6.212 1.00 0.00 N ATOM 279 CA TYR A 17 -12.200 11.389 5.554 1.00 0.00 C ATOM 280 C TYR A 17 -12.435 12.696 6.319 1.00 0.00 C ATOM 281 O TYR A 17 -12.902 12.678 7.457 1.00 0.00 O ATOM 282 CB TYR A 17 -13.496 10.511 5.500 1.00 0.00 C ATOM 283 CG TYR A 17 -13.254 9.103 4.911 1.00 0.00 C ATOM 284 CD1 TYR A 17 -13.148 8.908 3.537 1.00 0.00 C ATOM 285 CD2 TYR A 17 -13.050 7.990 5.733 1.00 0.00 C ATOM 286 CE1 TYR A 17 -12.867 7.668 3.002 1.00 0.00 C ATOM 287 CE2 TYR A 17 -12.758 6.752 5.198 1.00 0.00 C ATOM 288 CZ TYR A 17 -12.668 6.597 3.832 1.00 0.00 C ATOM 289 OH TYR A 17 -12.380 5.362 3.302 1.00 0.00 O ATOM 0 H TYR A 17 -11.231 10.565 7.223 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.925 11.632 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -13.902 10.412 6.507 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -14.249 11.023 4.902 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.289 9.748 2.873 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -13.122 8.101 6.805 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.804 7.542 1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.600 5.905 5.850 1.00 0.00 H new ATOM 0 HH TYR A 17 -12.573 5.365 2.341 1.00 0.00 H new ATOM 299 N ARG A 18 -12.064 13.838 5.715 1.00 0.00 N ATOM 300 CA ARG A 18 -12.262 15.176 6.317 1.00 0.00 C ATOM 301 C ARG A 18 -12.752 16.154 5.252 1.00 0.00 C ATOM 302 O ARG A 18 -12.636 15.887 4.068 1.00 0.00 O ATOM 303 CB ARG A 18 -10.963 15.730 6.975 1.00 0.00 C ATOM 304 CG ARG A 18 -10.350 14.854 8.089 1.00 0.00 C ATOM 305 CD ARG A 18 -9.311 15.608 8.939 1.00 0.00 C ATOM 306 NE ARG A 18 -8.304 16.325 8.122 1.00 0.00 N ATOM 307 CZ ARG A 18 -7.762 17.524 8.439 1.00 0.00 C ATOM 308 NH1 ARG A 18 -8.110 18.158 9.563 1.00 0.00 N ATOM 309 NH2 ARG A 18 -6.902 18.094 7.611 1.00 0.00 N ATOM 0 H ARG A 18 -11.619 13.864 4.798 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.008 15.069 7.104 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -10.214 15.870 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.179 16.714 7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.147 14.489 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.879 13.980 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.825 16.323 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.802 14.900 9.593 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.996 15.882 7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.792 17.739 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.693 19.061 9.789 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.650 17.630 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.491 18.998 7.845 1.00 0.00 H new ATOM 323 N TYR A 19 -13.287 17.300 5.695 1.00 0.00 N ATOM 324 CA TYR A 19 -13.785 18.361 4.804 1.00 0.00 C ATOM 325 C TYR A 19 -12.647 19.338 4.448 1.00 0.00 C ATOM 326 O TYR A 19 -11.529 19.217 4.967 1.00 0.00 O ATOM 327 CB TYR A 19 -14.964 19.102 5.484 1.00 0.00 C ATOM 328 CG TYR A 19 -16.160 18.200 5.833 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.244 17.554 7.068 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.209 17.986 4.929 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.303 16.733 7.390 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.276 17.164 5.251 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.317 16.542 6.480 1.00 0.00 C ATOM 334 OH TYR A 19 -19.377 15.720 6.800 1.00 0.00 O ATOM 0 H TYR A 19 -13.388 17.520 6.686 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.145 17.915 3.877 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.602 19.576 6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.306 19.900 4.824 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.456 17.702 7.792 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.185 18.471 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.337 16.242 8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.075 17.011 4.540 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.111 15.871 6.168 1.00 0.00 H new ATOM 344 N GLU A 20 -12.943 20.312 3.573 1.00 0.00 N ATOM 345 CA GLU A 20 -11.971 21.358 3.179 1.00 0.00 C ATOM 346 C GLU A 20 -11.770 22.367 4.327 1.00 0.00 C ATOM 347 O GLU A 20 -10.756 23.068 4.381 1.00 0.00 O ATOM 348 CB GLU A 20 -12.426 22.087 1.879 1.00 0.00 C ATOM 349 CG GLU A 20 -13.761 22.843 2.013 1.00 0.00 C ATOM 350 CD GLU A 20 -14.125 23.709 0.800 1.00 0.00 C ATOM 351 OE1 GLU A 20 -13.253 24.456 0.307 1.00 0.00 O ATOM 352 OE2 GLU A 20 -15.287 23.679 0.361 1.00 0.00 O ATOM 0 H GLU A 20 -13.852 20.401 3.119 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.017 20.873 2.973 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.650 22.792 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.515 21.354 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.559 22.119 2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.717 23.479 2.897 1.00 0.00 H new ATOM 359 N ASP A 21 -12.769 22.436 5.229 1.00 0.00 N ATOM 360 CA ASP A 21 -12.701 23.238 6.465 1.00 0.00 C ATOM 361 C ASP A 21 -11.757 22.568 7.500 1.00 0.00 C ATOM 362 O ASP A 21 -11.238 23.238 8.400 1.00 0.00 O ATOM 363 CB ASP A 21 -14.136 23.401 7.039 1.00 0.00 C ATOM 364 CG ASP A 21 -14.199 24.296 8.291 1.00 0.00 C ATOM 365 OD1 ASP A 21 -14.227 25.536 8.140 1.00 0.00 O ATOM 366 OD2 ASP A 21 -14.202 23.762 9.425 1.00 0.00 O ATOM 0 H ASP A 21 -13.650 21.934 5.119 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.292 24.223 6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.781 23.822 6.268 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.534 22.417 7.285 1.00 0.00 H new ATOM 371 N GLY A 22 -11.503 21.253 7.319 1.00 0.00 N ATOM 372 CA GLY A 22 -10.639 20.478 8.217 1.00 0.00 C ATOM 373 C GLY A 22 -11.414 19.576 9.170 1.00 0.00 C ATOM 374 O GLY A 22 -10.821 18.731 9.841 1.00 0.00 O ATOM 0 H GLY A 22 -11.892 20.708 6.549 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.961 19.867 7.620 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.022 21.164 8.798 1.00 0.00 H new ATOM 378 N ALA A 23 -12.747 19.756 9.227 1.00 0.00 N ATOM 379 CA ALA A 23 -13.647 18.955 10.086 1.00 0.00 C ATOM 380 C ALA A 23 -13.562 17.457 9.733 1.00 0.00 C ATOM 381 O ALA A 23 -13.548 17.113 8.562 1.00 0.00 O ATOM 382 CB ALA A 23 -15.094 19.460 9.935 1.00 0.00 C ATOM 0 H ALA A 23 -13.234 20.463 8.677 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.331 19.072 11.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -15.754 18.868 10.569 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -15.147 20.507 10.234 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -15.407 19.363 8.895 1.00 0.00 H new ATOM 388 N VAL A 24 -13.497 16.577 10.749 1.00 0.00 N ATOM 389 CA VAL A 24 -13.378 15.120 10.535 1.00 0.00 C ATOM 390 C VAL A 24 -14.754 14.514 10.210 1.00 0.00 C ATOM 391 O VAL A 24 -15.643 14.492 11.066 1.00 0.00 O ATOM 392 CB VAL A 24 -12.758 14.382 11.783 1.00 0.00 C ATOM 393 CG1 VAL A 24 -12.595 12.861 11.522 1.00 0.00 C ATOM 394 CG2 VAL A 24 -11.417 15.026 12.198 1.00 0.00 C ATOM 0 H VAL A 24 -13.525 16.850 11.731 1.00 0.00 H new ATOM 0 HA VAL A 24 -12.702 14.976 9.692 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.455 14.496 12.613 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.165 12.385 12.403 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.570 12.421 11.311 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -11.935 12.707 10.668 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -11.011 14.498 13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -10.711 14.963 11.370 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.580 16.072 12.457 1.00 0.00 H new ATOM 404 N ALA A 25 -14.922 14.047 8.964 1.00 0.00 N ATOM 405 CA ALA A 25 -16.109 13.289 8.544 1.00 0.00 C ATOM 406 C ALA A 25 -16.076 11.893 9.202 1.00 0.00 C ATOM 407 O ALA A 25 -16.985 11.524 9.949 1.00 0.00 O ATOM 408 CB ALA A 25 -16.162 13.212 7.002 1.00 0.00 C ATOM 0 H ALA A 25 -14.239 14.184 8.219 1.00 0.00 H new ATOM 0 HA ALA A 25 -17.019 13.791 8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -17.044 12.649 6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -16.213 14.219 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -15.266 12.713 6.632 1.00 0.00 H new ATOM 414 N HIS A 26 -14.975 11.167 8.945 1.00 0.00 N ATOM 415 CA HIS A 26 -14.651 9.841 9.538 1.00 0.00 C ATOM 416 C HIS A 26 -13.162 9.517 9.267 1.00 0.00 C ATOM 417 O HIS A 26 -12.432 10.360 8.758 1.00 0.00 O ATOM 418 CB HIS A 26 -15.579 8.703 8.974 1.00 0.00 C ATOM 419 CG HIS A 26 -16.833 8.462 9.780 1.00 0.00 C ATOM 420 ND1 HIS A 26 -18.088 8.846 9.363 1.00 0.00 N ATOM 421 CD2 HIS A 26 -17.011 7.857 10.982 1.00 0.00 C ATOM 422 CE1 HIS A 26 -18.977 8.499 10.269 1.00 0.00 C ATOM 423 NE2 HIS A 26 -18.352 7.896 11.259 1.00 0.00 N ATOM 0 H HIS A 26 -14.256 11.491 8.298 1.00 0.00 H new ATOM 0 HA HIS A 26 -14.829 9.889 10.612 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -15.862 8.955 7.952 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.008 7.776 8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -16.240 7.426 11.603 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -20.040 8.679 10.211 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.795 7.519 12.097 1.00 0.00 H new ATOM 432 N ASP A 27 -12.727 8.309 9.653 1.00 0.00 N ATOM 433 CA ASP A 27 -11.406 7.740 9.275 1.00 0.00 C ATOM 434 C ASP A 27 -11.376 6.257 9.679 1.00 0.00 C ATOM 435 O ASP A 27 -12.437 5.652 9.830 1.00 0.00 O ATOM 436 CB ASP A 27 -10.216 8.536 9.896 1.00 0.00 C ATOM 437 CG ASP A 27 -10.141 8.502 11.437 1.00 0.00 C ATOM 438 OD1 ASP A 27 -10.745 9.381 12.088 1.00 0.00 O ATOM 439 OD2 ASP A 27 -9.447 7.621 11.996 1.00 0.00 O ATOM 0 H ASP A 27 -13.280 7.686 10.242 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.281 7.825 8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.284 8.139 9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.286 9.575 9.574 1.00 0.00 H new ATOM 444 N ASP A 28 -10.163 5.666 9.783 1.00 0.00 N ATOM 445 CA ASP A 28 -9.948 4.290 10.283 1.00 0.00 C ATOM 446 C ASP A 28 -10.401 3.272 9.220 1.00 0.00 C ATOM 447 O ASP A 28 -10.955 2.210 9.526 1.00 0.00 O ATOM 448 CB ASP A 28 -10.635 4.076 11.678 1.00 0.00 C ATOM 449 CG ASP A 28 -10.204 2.792 12.422 1.00 0.00 C ATOM 450 OD1 ASP A 28 -9.101 2.770 13.010 1.00 0.00 O ATOM 451 OD2 ASP A 28 -10.968 1.794 12.424 1.00 0.00 O ATOM 0 H ASP A 28 -9.298 6.137 9.519 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.883 4.129 10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.417 4.936 12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.715 4.051 11.535 1.00 0.00 H new ATOM 456 N HIS A 29 -10.178 3.616 7.937 1.00 0.00 N ATOM 457 CA HIS A 29 -10.370 2.662 6.829 1.00 0.00 C ATOM 458 C HIS A 29 -8.999 2.346 6.261 1.00 0.00 C ATOM 459 O HIS A 29 -8.265 3.246 5.893 1.00 0.00 O ATOM 460 CB HIS A 29 -11.329 3.212 5.739 1.00 0.00 C ATOM 461 CG HIS A 29 -12.774 3.296 6.182 1.00 0.00 C ATOM 462 ND1 HIS A 29 -13.817 2.725 5.488 1.00 0.00 N ATOM 463 CD2 HIS A 29 -13.337 3.913 7.248 1.00 0.00 C ATOM 464 CE1 HIS A 29 -14.949 2.985 6.108 1.00 0.00 C ATOM 465 NE2 HIS A 29 -14.684 3.701 7.175 1.00 0.00 N ATOM 0 H HIS A 29 -9.867 4.542 7.644 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.846 1.755 7.201 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.992 4.205 5.439 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -11.266 2.574 4.857 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.817 4.469 8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.930 2.663 5.792 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -15.374 4.044 7.843 1.00 0.00 H new ATOM 474 N VAL A 30 -8.620 1.068 6.271 1.00 0.00 N ATOM 475 CA VAL A 30 -7.268 0.627 5.878 1.00 0.00 C ATOM 476 C VAL A 30 -7.350 -0.540 4.882 1.00 0.00 C ATOM 477 O VAL A 30 -8.251 -1.386 4.962 1.00 0.00 O ATOM 478 CB VAL A 30 -6.427 0.201 7.156 1.00 0.00 C ATOM 479 CG1 VAL A 30 -5.021 -0.314 6.790 1.00 0.00 C ATOM 480 CG2 VAL A 30 -6.316 1.361 8.170 1.00 0.00 C ATOM 0 H VAL A 30 -9.236 0.305 6.550 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.763 1.463 5.393 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.972 -0.621 7.619 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.487 -0.592 7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.110 -1.185 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.470 0.470 6.271 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.734 1.036 9.033 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.822 2.210 7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.313 1.656 8.495 1.00 0.00 H new ATOM 490 N VAL A 31 -6.395 -0.546 3.941 1.00 0.00 N ATOM 491 CA VAL A 31 -6.138 -1.656 3.032 1.00 0.00 C ATOM 492 C VAL A 31 -4.604 -1.847 2.945 1.00 0.00 C ATOM 493 O VAL A 31 -3.862 -0.905 2.643 1.00 0.00 O ATOM 494 CB VAL A 31 -6.784 -1.421 1.612 1.00 0.00 C ATOM 495 CG1 VAL A 31 -6.248 -0.144 0.917 1.00 0.00 C ATOM 496 CG2 VAL A 31 -6.628 -2.676 0.715 1.00 0.00 C ATOM 0 H VAL A 31 -5.768 0.244 3.793 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.605 -2.563 3.415 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.849 -1.254 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.726 -0.031 -0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.471 0.727 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.169 -0.228 0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.082 -2.487 -0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.569 -2.900 0.584 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.123 -3.525 1.187 1.00 0.00 H new ATOM 506 N SER A 32 -4.127 -3.046 3.303 1.00 0.00 N ATOM 507 CA SER A 32 -2.697 -3.386 3.309 1.00 0.00 C ATOM 508 C SER A 32 -2.450 -4.550 2.341 1.00 0.00 C ATOM 509 O SER A 32 -3.166 -5.561 2.378 1.00 0.00 O ATOM 510 CB SER A 32 -2.262 -3.763 4.743 1.00 0.00 C ATOM 511 OG SER A 32 -2.643 -2.757 5.676 1.00 0.00 O ATOM 0 H SER A 32 -4.728 -3.815 3.600 1.00 0.00 H new ATOM 0 HA SER A 32 -2.108 -2.529 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.713 -4.714 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.181 -3.901 4.774 1.00 0.00 H new ATOM 0 HG SER A 32 -2.444 -3.062 6.586 1.00 0.00 H new ATOM 517 N LEU A 33 -1.444 -4.409 1.468 1.00 0.00 N ATOM 518 CA LEU A 33 -1.103 -5.428 0.460 1.00 0.00 C ATOM 519 C LEU A 33 0.159 -6.170 0.876 1.00 0.00 C ATOM 520 O LEU A 33 1.175 -5.547 1.172 1.00 0.00 O ATOM 521 CB LEU A 33 -0.903 -4.777 -0.920 1.00 0.00 C ATOM 522 CG LEU A 33 -2.158 -4.097 -1.525 1.00 0.00 C ATOM 523 CD1 LEU A 33 -1.804 -3.448 -2.863 1.00 0.00 C ATOM 524 CD2 LEU A 33 -3.338 -5.087 -1.670 1.00 0.00 C ATOM 0 H LEU A 33 -0.842 -3.586 1.439 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.927 -6.138 0.391 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.111 -4.033 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.554 -5.540 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.489 -3.319 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.690 -2.972 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.028 -2.698 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.441 -4.210 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.197 -4.569 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.046 -5.908 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.604 -5.482 -0.690 1.00 0.00 H new ATOM 536 N ILE A 34 0.078 -7.501 0.864 1.00 0.00 N ATOM 537 CA ILE A 34 1.165 -8.379 1.276 1.00 0.00 C ATOM 538 C ILE A 34 2.078 -8.649 0.063 1.00 0.00 C ATOM 539 O ILE A 34 1.659 -9.301 -0.901 1.00 0.00 O ATOM 540 CB ILE A 34 0.634 -9.752 1.865 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.257 -9.567 3.155 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.822 -10.696 2.168 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.637 -8.941 2.944 1.00 0.00 C ATOM 0 H ILE A 34 -0.757 -8.003 0.563 1.00 0.00 H new ATOM 0 HA ILE A 34 1.721 -7.880 2.070 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.006 -10.196 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.392 -10.544 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.293 -8.950 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.446 -11.636 2.572 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.375 -10.891 1.249 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.483 -10.227 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.153 -8.866 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.523 -7.946 2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.219 -9.564 2.266 1.00 0.00 H new ATOM 555 N PHE A 35 3.312 -8.130 0.101 1.00 0.00 N ATOM 556 CA PHE A 35 4.354 -8.462 -0.879 1.00 0.00 C ATOM 557 C PHE A 35 5.188 -9.607 -0.294 1.00 0.00 C ATOM 558 O PHE A 35 5.999 -9.393 0.613 1.00 0.00 O ATOM 559 CB PHE A 35 5.236 -7.221 -1.207 1.00 0.00 C ATOM 560 CG PHE A 35 4.483 -6.071 -1.898 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.602 -5.253 -1.185 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.666 -5.803 -3.256 1.00 0.00 C ATOM 563 CE1 PHE A 35 2.937 -4.208 -1.807 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.999 -4.757 -3.872 1.00 0.00 C ATOM 565 CZ PHE A 35 3.137 -3.958 -3.147 1.00 0.00 C ATOM 0 H PHE A 35 3.616 -7.467 0.814 1.00 0.00 H new ATOM 0 HA PHE A 35 3.903 -8.772 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.675 -6.848 -0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.061 -7.535 -1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.437 -5.438 -0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.337 -6.420 -3.834 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.260 -3.587 -1.239 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.154 -4.565 -4.924 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.622 -3.140 -3.629 1.00 0.00 H new ATOM 575 N THR A 36 4.924 -10.829 -0.754 1.00 0.00 N ATOM 576 CA THR A 36 5.618 -12.024 -0.275 1.00 0.00 C ATOM 577 C THR A 36 6.823 -12.308 -1.178 1.00 0.00 C ATOM 578 O THR A 36 6.657 -12.760 -2.318 1.00 0.00 O ATOM 579 CB THR A 36 4.664 -13.261 -0.252 1.00 0.00 C ATOM 580 OG1 THR A 36 3.407 -12.892 0.323 1.00 0.00 O ATOM 581 CG2 THR A 36 5.254 -14.431 0.553 1.00 0.00 C ATOM 0 H THR A 36 4.223 -11.019 -1.470 1.00 0.00 H new ATOM 0 HA THR A 36 5.956 -11.843 0.745 1.00 0.00 H new ATOM 0 HB THR A 36 4.533 -13.588 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.811 -13.670 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.557 -15.269 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.199 -14.740 0.107 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.425 -14.115 1.582 1.00 0.00 H new ATOM 589 N GLN A 37 8.026 -11.993 -0.688 1.00 0.00 N ATOM 590 CA GLN A 37 9.270 -12.284 -1.406 1.00 0.00 C ATOM 591 C GLN A 37 9.670 -13.736 -1.193 1.00 0.00 C ATOM 592 O GLN A 37 10.236 -14.061 -0.156 1.00 0.00 O ATOM 593 CB GLN A 37 10.412 -11.349 -0.942 1.00 0.00 C ATOM 594 CG GLN A 37 11.711 -11.473 -1.765 1.00 0.00 C ATOM 595 CD GLN A 37 12.889 -10.699 -1.181 1.00 0.00 C ATOM 596 OE1 GLN A 37 12.995 -10.525 0.034 1.00 0.00 O ATOM 597 NE2 GLN A 37 13.791 -10.261 -2.040 1.00 0.00 N ATOM 0 H GLN A 37 8.164 -11.532 0.211 1.00 0.00 H new ATOM 0 HA GLN A 37 9.096 -12.111 -2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.063 -10.318 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.637 -11.561 0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.982 -12.526 -1.841 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.523 -11.119 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 37 13.666 -10.426 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.613 -9.758 -1.705 1.00 0.00 H new ATOM 606 N SER A 38 9.324 -14.602 -2.148 1.00 0.00 N ATOM 607 CA SER A 38 9.735 -16.005 -2.118 1.00 0.00 C ATOM 608 C SER A 38 11.215 -16.141 -2.522 1.00 0.00 C ATOM 609 O SER A 38 11.686 -15.459 -3.437 1.00 0.00 O ATOM 610 CB SER A 38 8.829 -16.849 -3.045 1.00 0.00 C ATOM 611 OG SER A 38 8.839 -16.370 -4.387 1.00 0.00 O ATOM 0 H SER A 38 8.756 -14.352 -2.957 1.00 0.00 H new ATOM 0 HA SER A 38 9.626 -16.380 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.161 -17.887 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.808 -16.835 -2.663 1.00 0.00 H new ATOM 0 HG SER A 38 8.256 -16.932 -4.939 1.00 0.00 H new ATOM 617 N GLY A 39 11.924 -17.017 -1.812 1.00 0.00 N ATOM 618 CA GLY A 39 13.305 -17.360 -2.123 1.00 0.00 C ATOM 619 C GLY A 39 13.657 -18.750 -1.640 1.00 0.00 C ATOM 620 O GLY A 39 12.762 -19.567 -1.370 1.00 0.00 O ATOM 0 H GLY A 39 11.551 -17.510 -1.001 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.462 -17.298 -3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.974 -16.634 -1.661 1.00 0.00 H new ATOM 624 N LYS A 40 14.963 -19.018 -1.498 1.00 0.00 N ATOM 625 CA LYS A 40 15.472 -20.293 -0.959 1.00 0.00 C ATOM 626 C LYS A 40 16.761 -20.025 -0.154 1.00 0.00 C ATOM 627 O LYS A 40 17.546 -19.149 -0.519 1.00 0.00 O ATOM 628 CB LYS A 40 15.660 -21.327 -2.117 1.00 0.00 C ATOM 629 CG LYS A 40 16.675 -20.968 -3.239 1.00 0.00 C ATOM 630 CD LYS A 40 18.148 -21.327 -2.902 1.00 0.00 C ATOM 631 CE LYS A 40 19.118 -20.991 -4.049 1.00 0.00 C ATOM 632 NZ LYS A 40 18.729 -21.617 -5.342 1.00 0.00 N ATOM 0 H LYS A 40 15.698 -18.359 -1.753 1.00 0.00 H new ATOM 0 HA LYS A 40 14.753 -20.737 -0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.967 -22.275 -1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.688 -21.492 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.387 -21.486 -4.154 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.611 -19.899 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.453 -20.789 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 40 18.216 -22.391 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 40 19.163 -19.909 -4.174 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.121 -21.322 -3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.506 -21.514 -6.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.531 -22.627 -5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.878 -21.148 -5.712 1.00 0.00 H new ATOM 646 N ARG A 41 16.966 -20.756 0.953 1.00 0.00 N ATOM 647 CA ARG A 41 18.101 -20.533 1.876 1.00 0.00 C ATOM 648 C ARG A 41 19.071 -21.713 1.826 1.00 0.00 C ATOM 649 O ARG A 41 18.656 -22.867 1.972 1.00 0.00 O ATOM 650 CB ARG A 41 17.576 -20.372 3.326 1.00 0.00 C ATOM 651 CG ARG A 41 18.644 -20.038 4.385 1.00 0.00 C ATOM 652 CD ARG A 41 18.082 -20.056 5.815 1.00 0.00 C ATOM 653 NE ARG A 41 16.950 -19.122 6.007 1.00 0.00 N ATOM 654 CZ ARG A 41 16.250 -18.975 7.151 1.00 0.00 C ATOM 655 NH1 ARG A 41 16.536 -19.706 8.230 1.00 0.00 N ATOM 656 NH2 ARG A 41 15.282 -18.069 7.217 1.00 0.00 N ATOM 0 H ARG A 41 16.352 -21.519 1.237 1.00 0.00 H new ATOM 0 HA ARG A 41 18.622 -19.627 1.568 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.822 -19.585 3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 41 17.077 -21.296 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 41 19.461 -20.755 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 41 19.063 -19.054 4.175 1.00 0.00 H new ATOM 0 HD2 ARG A 41 17.756 -21.067 6.058 1.00 0.00 H new ATOM 0 HD3 ARG A 41 18.878 -19.801 6.515 1.00 0.00 H new ATOM 0 HE ARG A 41 16.678 -18.544 5.212 1.00 0.00 H new ATOM 0 HH11 ARG A 41 17.294 -20.388 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 41 15.997 -19.583 9.087 1.00 0.00 H new ATOM 0 HH21 ARG A 41 15.071 -17.488 6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.750 -17.954 8.079 1.00 0.00 H new ATOM 670 N ASP A 42 20.365 -21.409 1.629 1.00 0.00 N ATOM 671 CA ASP A 42 21.445 -22.380 1.801 1.00 0.00 C ATOM 672 C ASP A 42 21.644 -22.653 3.292 1.00 0.00 C ATOM 673 O ASP A 42 21.921 -21.733 4.062 1.00 0.00 O ATOM 674 CB ASP A 42 22.753 -21.861 1.173 1.00 0.00 C ATOM 675 CG ASP A 42 23.957 -22.792 1.389 1.00 0.00 C ATOM 676 OD1 ASP A 42 23.800 -24.021 1.297 1.00 0.00 O ATOM 677 OD2 ASP A 42 25.063 -22.302 1.668 1.00 0.00 O ATOM 0 H ASP A 42 20.686 -20.483 1.346 1.00 0.00 H new ATOM 0 HA ASP A 42 21.174 -23.306 1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.601 -21.721 0.103 1.00 0.00 H new ATOM 0 HB3 ASP A 42 22.983 -20.882 1.593 1.00 0.00 H new ATOM 682 N LEU A 43 21.512 -23.924 3.668 1.00 0.00 N ATOM 683 CA LEU A 43 21.609 -24.379 5.065 1.00 0.00 C ATOM 684 C LEU A 43 23.059 -24.585 5.509 1.00 0.00 C ATOM 685 O LEU A 43 23.339 -24.583 6.710 1.00 0.00 O ATOM 686 CB LEU A 43 20.810 -25.694 5.226 1.00 0.00 C ATOM 687 CG LEU A 43 19.263 -25.557 5.065 1.00 0.00 C ATOM 688 CD1 LEU A 43 18.552 -26.917 5.226 1.00 0.00 C ATOM 689 CD2 LEU A 43 18.696 -24.506 6.040 1.00 0.00 C ATOM 0 H LEU A 43 21.332 -24.680 3.008 1.00 0.00 H new ATOM 0 HA LEU A 43 21.189 -23.602 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 43 21.173 -26.413 4.492 1.00 0.00 H new ATOM 0 HB3 LEU A 43 21.021 -26.110 6.211 1.00 0.00 H new ATOM 0 HG LEU A 43 19.067 -25.210 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 43 17.477 -26.782 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 43 18.916 -27.610 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 43 18.760 -27.321 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 43 17.617 -24.431 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 43 18.915 -24.805 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 43 19.155 -23.538 5.839 1.00 0.00 H new ATOM 701 N THR A 44 23.969 -24.769 4.548 1.00 0.00 N ATOM 702 CA THR A 44 25.347 -25.150 4.846 1.00 0.00 C ATOM 703 C THR A 44 26.141 -23.926 5.347 1.00 0.00 C ATOM 704 O THR A 44 26.786 -23.981 6.401 1.00 0.00 O ATOM 705 CB THR A 44 26.031 -25.813 3.602 1.00 0.00 C ATOM 706 OG1 THR A 44 26.482 -24.827 2.660 1.00 0.00 O ATOM 707 CG2 THR A 44 25.075 -26.768 2.867 1.00 0.00 C ATOM 0 H THR A 44 23.772 -24.659 3.553 1.00 0.00 H new ATOM 0 HA THR A 44 25.338 -25.895 5.641 1.00 0.00 H new ATOM 0 HB THR A 44 26.882 -26.372 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.747 -24.590 2.057 1.00 0.00 H new ATOM 0 HG21 THR A 44 25.587 -27.207 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 44 24.758 -27.560 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 44 24.201 -26.215 2.523 1.00 0.00 H new ATOM 715 N ASN A 45 26.049 -22.814 4.592 1.00 0.00 N ATOM 716 CA ASN A 45 26.660 -21.519 4.965 1.00 0.00 C ATOM 717 C ASN A 45 25.673 -20.709 5.828 1.00 0.00 C ATOM 718 O ASN A 45 26.091 -19.890 6.658 1.00 0.00 O ATOM 719 CB ASN A 45 27.060 -20.729 3.687 1.00 0.00 C ATOM 720 CG ASN A 45 27.727 -19.376 3.976 1.00 0.00 C ATOM 721 OD1 ASN A 45 28.945 -19.291 4.120 1.00 0.00 O ATOM 722 ND2 ASN A 45 26.937 -18.315 4.078 1.00 0.00 N ATOM 0 H ASN A 45 25.548 -22.786 3.704 1.00 0.00 H new ATOM 0 HA ASN A 45 27.563 -21.699 5.548 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.740 -21.339 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.169 -20.562 3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 45 27.337 -17.399 4.281 1.00 0.00 H new ATOM 0 HD22 ASN A 45 25.930 -18.415 3.954 1.00 0.00 H new ATOM 729 N GLY A 46 24.358 -20.943 5.617 1.00 0.00 N ATOM 730 CA GLY A 46 23.305 -20.270 6.392 1.00 0.00 C ATOM 731 C GLY A 46 22.910 -18.927 5.789 1.00 0.00 C ATOM 732 O GLY A 46 22.494 -18.012 6.506 1.00 0.00 O ATOM 0 H GLY A 46 24.006 -21.594 4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 46 22.427 -20.914 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 46 23.650 -20.119 7.415 1.00 0.00 H new ATOM 736 N LYS A 47 23.029 -18.838 4.454 1.00 0.00 N ATOM 737 CA LYS A 47 22.781 -17.609 3.677 1.00 0.00 C ATOM 738 C LYS A 47 21.407 -17.690 2.984 1.00 0.00 C ATOM 739 O LYS A 47 21.048 -18.737 2.436 1.00 0.00 O ATOM 740 CB LYS A 47 23.914 -17.407 2.626 1.00 0.00 C ATOM 741 CG LYS A 47 24.144 -18.627 1.718 1.00 0.00 C ATOM 742 CD LYS A 47 25.278 -18.467 0.679 1.00 0.00 C ATOM 743 CE LYS A 47 24.960 -17.468 -0.448 1.00 0.00 C ATOM 744 NZ LYS A 47 25.143 -16.049 -0.035 1.00 0.00 N ATOM 0 H LYS A 47 23.305 -19.630 3.874 1.00 0.00 H new ATOM 0 HA LYS A 47 22.777 -16.754 4.353 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.671 -16.545 2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.843 -17.173 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 47 24.366 -19.490 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 47 23.216 -18.847 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 47 26.184 -18.143 1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 47 25.492 -19.440 0.238 1.00 0.00 H new ATOM 0 HE2 LYS A 47 25.602 -17.677 -1.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 23.931 -17.615 -0.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 24.233 -15.549 -0.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 25.489 -16.015 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 25.834 -15.591 -0.663 1.00 0.00 H new ATOM 758 N GLU A 48 20.637 -16.592 3.027 1.00 0.00 N ATOM 759 CA GLU A 48 19.335 -16.493 2.338 1.00 0.00 C ATOM 760 C GLU A 48 19.518 -15.913 0.937 1.00 0.00 C ATOM 761 O GLU A 48 19.997 -14.780 0.787 1.00 0.00 O ATOM 762 CB GLU A 48 18.360 -15.615 3.152 1.00 0.00 C ATOM 763 CG GLU A 48 17.952 -16.236 4.493 1.00 0.00 C ATOM 764 CD GLU A 48 16.895 -15.425 5.242 1.00 0.00 C ATOM 765 OE1 GLU A 48 17.229 -14.340 5.762 1.00 0.00 O ATOM 766 OE2 GLU A 48 15.722 -15.868 5.315 1.00 0.00 O ATOM 0 H GLU A 48 20.896 -15.748 3.538 1.00 0.00 H new ATOM 0 HA GLU A 48 18.914 -17.495 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.823 -14.646 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.465 -15.433 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.570 -17.242 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.836 -16.336 5.123 1.00 0.00 H new ATOM 773 N ILE A 49 19.119 -16.696 -0.074 1.00 0.00 N ATOM 774 CA ILE A 49 19.216 -16.309 -1.485 1.00 0.00 C ATOM 775 C ILE A 49 17.877 -15.696 -1.893 1.00 0.00 C ATOM 776 O ILE A 49 16.833 -16.365 -1.836 1.00 0.00 O ATOM 777 CB ILE A 49 19.575 -17.515 -2.453 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.001 -18.110 -2.157 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.453 -17.095 -3.943 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.098 -18.986 -0.910 1.00 0.00 C ATOM 0 H ILE A 49 18.717 -17.623 0.067 1.00 0.00 H new ATOM 0 HA ILE A 49 20.035 -15.597 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 49 18.848 -18.303 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.317 -18.698 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.707 -17.285 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.705 -17.942 -4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.431 -16.777 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.137 -16.271 -4.146 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.121 -19.345 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 49 20.819 -18.402 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.423 -19.836 -1.009 1.00 0.00 H new ATOM 792 N TRP A 50 17.913 -14.411 -2.256 1.00 0.00 N ATOM 793 CA TRP A 50 16.767 -13.690 -2.811 1.00 0.00 C ATOM 794 C TRP A 50 17.104 -13.321 -4.256 1.00 0.00 C ATOM 795 O TRP A 50 18.234 -12.899 -4.533 1.00 0.00 O ATOM 796 CB TRP A 50 16.471 -12.427 -1.957 1.00 0.00 C ATOM 797 CG TRP A 50 16.310 -12.731 -0.478 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.193 -12.443 0.531 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.218 -13.424 0.141 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.696 -12.890 1.728 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.493 -13.495 1.515 1.00 0.00 C ATOM 802 CE3 TRP A 50 14.033 -13.991 -0.335 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.623 -14.090 2.417 1.00 0.00 C ATOM 804 CZ3 TRP A 50 13.173 -14.585 0.560 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.472 -14.636 1.921 1.00 0.00 C ATOM 0 H TRP A 50 18.751 -13.836 -2.171 1.00 0.00 H new ATOM 0 HA TRP A 50 15.870 -14.310 -2.793 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.281 -11.709 -2.088 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.562 -11.952 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.139 -11.939 0.402 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.153 -12.786 2.634 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.796 -13.963 -1.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.847 -14.121 3.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 12.251 -15.019 0.202 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.780 -15.117 2.597 1.00 0.00 H new ATOM 816 N ASP A 51 16.134 -13.499 -5.163 1.00 0.00 N ATOM 817 CA ASP A 51 16.293 -13.175 -6.592 1.00 0.00 C ATOM 818 C ASP A 51 16.507 -11.663 -6.745 1.00 0.00 C ATOM 819 O ASP A 51 15.705 -10.876 -6.224 1.00 0.00 O ATOM 820 CB ASP A 51 15.042 -13.616 -7.399 1.00 0.00 C ATOM 821 CG ASP A 51 14.656 -15.083 -7.161 1.00 0.00 C ATOM 822 OD1 ASP A 51 13.860 -15.354 -6.228 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.140 -15.973 -7.896 1.00 0.00 O ATOM 0 H ASP A 51 15.214 -13.872 -4.929 1.00 0.00 H new ATOM 0 HA ASP A 51 17.157 -13.712 -6.983 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.201 -12.977 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.231 -13.464 -8.462 1.00 0.00 H new ATOM 828 N SER A 52 17.598 -11.276 -7.421 1.00 0.00 N ATOM 829 CA SER A 52 17.959 -9.861 -7.633 1.00 0.00 C ATOM 830 C SER A 52 16.872 -9.126 -8.452 1.00 0.00 C ATOM 831 O SER A 52 16.475 -8.005 -8.121 1.00 0.00 O ATOM 832 CB SER A 52 19.335 -9.771 -8.335 1.00 0.00 C ATOM 833 OG SER A 52 20.311 -10.533 -7.643 1.00 0.00 O ATOM 0 H SER A 52 18.257 -11.933 -7.838 1.00 0.00 H new ATOM 0 HA SER A 52 18.026 -9.369 -6.663 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.248 -10.130 -9.360 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.652 -8.730 -8.388 1.00 0.00 H new ATOM 0 HG SER A 52 21.171 -10.461 -8.107 1.00 0.00 H new ATOM 839 N LYS A 53 16.363 -9.814 -9.493 1.00 0.00 N ATOM 840 CA LYS A 53 15.358 -9.266 -10.421 1.00 0.00 C ATOM 841 C LYS A 53 13.917 -9.481 -9.906 1.00 0.00 C ATOM 842 O LYS A 53 12.964 -9.216 -10.649 1.00 0.00 O ATOM 843 CB LYS A 53 15.505 -9.924 -11.818 1.00 0.00 C ATOM 844 CG LYS A 53 16.913 -9.851 -12.443 1.00 0.00 C ATOM 845 CD LYS A 53 17.003 -10.647 -13.769 1.00 0.00 C ATOM 846 CE LYS A 53 18.415 -10.644 -14.377 1.00 0.00 C ATOM 847 NZ LYS A 53 19.402 -11.361 -13.522 1.00 0.00 N ATOM 0 H LYS A 53 16.640 -10.771 -9.714 1.00 0.00 H new ATOM 0 HA LYS A 53 15.537 -8.193 -10.493 1.00 0.00 H new ATOM 0 HB2 LYS A 53 15.216 -10.972 -11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.799 -9.449 -12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.174 -8.809 -12.628 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.644 -10.242 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 53 16.693 -11.676 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 53 16.303 -10.223 -14.489 1.00 0.00 H new ATOM 0 HE2 LYS A 53 18.385 -11.110 -15.362 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.743 -9.615 -14.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 20.318 -11.405 -14.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 19.515 -10.853 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 19.063 -12.326 -13.334 1.00 0.00 H new ATOM 861 N TRP A 54 13.752 -9.970 -8.653 1.00 0.00 N ATOM 862 CA TRP A 54 12.410 -10.140 -8.046 1.00 0.00 C ATOM 863 C TRP A 54 11.714 -8.769 -7.944 1.00 0.00 C ATOM 864 O TRP A 54 12.329 -7.789 -7.520 1.00 0.00 O ATOM 865 CB TRP A 54 12.498 -10.805 -6.635 1.00 0.00 C ATOM 866 CG TRP A 54 11.156 -11.038 -5.940 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.401 -12.177 -5.966 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.413 -10.106 -5.134 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.260 -12.003 -5.235 1.00 0.00 N ATOM 870 CE2 TRP A 54 9.246 -10.750 -4.717 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.629 -8.789 -4.725 1.00 0.00 C ATOM 872 CZ2 TRP A 54 8.298 -10.129 -3.920 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.692 -8.173 -3.931 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.535 -8.843 -3.534 1.00 0.00 C ATOM 0 H TRP A 54 14.524 -10.251 -8.048 1.00 0.00 H new ATOM 0 HA TRP A 54 11.827 -10.802 -8.686 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.009 -11.763 -6.734 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.117 -10.178 -5.993 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.668 -13.084 -6.489 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.533 -12.705 -5.100 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.521 -8.261 -5.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.401 -10.647 -3.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.854 -7.155 -3.610 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.815 -8.335 -2.910 1.00 0.00 H new ATOM 885 N SER A 55 10.454 -8.719 -8.373 1.00 0.00 N ATOM 886 CA SER A 55 9.571 -7.560 -8.196 1.00 0.00 C ATOM 887 C SER A 55 8.114 -8.039 -8.227 1.00 0.00 C ATOM 888 O SER A 55 7.694 -8.690 -9.196 1.00 0.00 O ATOM 889 CB SER A 55 9.849 -6.506 -9.291 1.00 0.00 C ATOM 890 OG SER A 55 9.750 -7.065 -10.592 1.00 0.00 O ATOM 0 H SER A 55 10.007 -9.495 -8.862 1.00 0.00 H new ATOM 0 HA SER A 55 9.762 -7.085 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.141 -5.683 -9.193 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.845 -6.087 -9.149 1.00 0.00 H new ATOM 0 HG SER A 55 9.036 -7.736 -10.606 1.00 0.00 H new ATOM 896 N LEU A 56 7.350 -7.753 -7.160 1.00 0.00 N ATOM 897 CA LEU A 56 5.947 -8.181 -7.043 1.00 0.00 C ATOM 898 C LEU A 56 5.040 -6.962 -7.180 1.00 0.00 C ATOM 899 O LEU A 56 5.306 -5.912 -6.588 1.00 0.00 O ATOM 900 CB LEU A 56 5.711 -8.910 -5.699 1.00 0.00 C ATOM 901 CG LEU A 56 4.327 -9.597 -5.486 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.976 -10.551 -6.648 1.00 0.00 C ATOM 903 CD2 LEU A 56 4.307 -10.350 -4.134 1.00 0.00 C ATOM 0 H LEU A 56 7.686 -7.221 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 56 5.712 -8.886 -7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.484 -9.670 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.856 -8.188 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 56 3.566 -8.816 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.005 -11.009 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.939 -9.989 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.736 -11.329 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.336 -10.825 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.087 -11.111 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.484 -9.645 -3.322 1.00 0.00 H new ATOM 915 N THR A 57 3.982 -7.114 -7.971 1.00 0.00 N ATOM 916 CA THR A 57 3.051 -6.043 -8.294 1.00 0.00 C ATOM 917 C THR A 57 1.700 -6.352 -7.651 1.00 0.00 C ATOM 918 O THR A 57 1.086 -7.372 -7.976 1.00 0.00 O ATOM 919 CB THR A 57 2.908 -5.929 -9.843 1.00 0.00 C ATOM 920 OG1 THR A 57 4.219 -5.844 -10.417 1.00 0.00 O ATOM 921 CG2 THR A 57 2.087 -4.702 -10.274 1.00 0.00 C ATOM 0 H THR A 57 3.745 -8.002 -8.413 1.00 0.00 H new ATOM 0 HA THR A 57 3.420 -5.093 -7.909 1.00 0.00 H new ATOM 0 HB THR A 57 2.376 -6.813 -10.195 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.475 -4.903 -10.509 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.020 -4.673 -11.362 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.085 -4.768 -9.850 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.574 -3.795 -9.916 1.00 0.00 H new ATOM 929 N GLN A 58 1.256 -5.503 -6.714 1.00 0.00 N ATOM 930 CA GLN A 58 -0.020 -5.696 -6.001 1.00 0.00 C ATOM 931 C GLN A 58 -0.952 -4.500 -6.251 1.00 0.00 C ATOM 932 O GLN A 58 -0.497 -3.358 -6.322 1.00 0.00 O ATOM 933 CB GLN A 58 0.235 -5.922 -4.487 1.00 0.00 C ATOM 934 CG GLN A 58 1.176 -7.100 -4.143 1.00 0.00 C ATOM 935 CD GLN A 58 0.654 -8.499 -4.510 1.00 0.00 C ATOM 936 OE1 GLN A 58 -0.079 -8.704 -5.479 1.00 0.00 O ATOM 937 NE2 GLN A 58 1.034 -9.479 -3.726 1.00 0.00 N ATOM 0 H GLN A 58 1.766 -4.667 -6.428 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.514 -6.588 -6.386 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.655 -5.008 -4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.723 -6.089 -3.995 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.127 -6.942 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.380 -7.078 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.641 -9.288 -2.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.722 -10.432 -3.913 1.00 0.00 H new ATOM 946 N THR A 59 -2.253 -4.790 -6.339 1.00 0.00 N ATOM 947 CA THR A 59 -3.284 -3.861 -6.823 1.00 0.00 C ATOM 948 C THR A 59 -3.874 -2.993 -5.682 1.00 0.00 C ATOM 949 O THR A 59 -4.523 -3.514 -4.774 1.00 0.00 O ATOM 950 CB THR A 59 -4.421 -4.691 -7.506 1.00 0.00 C ATOM 951 OG1 THR A 59 -3.857 -5.559 -8.504 1.00 0.00 O ATOM 952 CG2 THR A 59 -5.492 -3.801 -8.153 1.00 0.00 C ATOM 0 H THR A 59 -2.630 -5.699 -6.070 1.00 0.00 H new ATOM 0 HA THR A 59 -2.824 -3.177 -7.536 1.00 0.00 H new ATOM 0 HB THR A 59 -4.907 -5.274 -6.724 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.572 -6.078 -8.928 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.257 -4.427 -8.612 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.949 -3.170 -7.391 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.031 -3.173 -8.916 1.00 0.00 H new ATOM 960 N PHE A 60 -3.612 -1.674 -5.727 1.00 0.00 N ATOM 961 CA PHE A 60 -4.257 -0.670 -4.843 1.00 0.00 C ATOM 962 C PHE A 60 -5.393 0.038 -5.604 1.00 0.00 C ATOM 963 O PHE A 60 -5.131 0.904 -6.436 1.00 0.00 O ATOM 964 CB PHE A 60 -3.223 0.390 -4.332 1.00 0.00 C ATOM 965 CG PHE A 60 -2.611 0.095 -2.971 1.00 0.00 C ATOM 966 CD1 PHE A 60 -3.430 -0.145 -1.864 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.235 0.091 -2.784 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.883 -0.384 -0.621 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.694 -0.150 -1.544 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.515 -0.386 -0.460 1.00 0.00 C ATOM 0 H PHE A 60 -2.943 -1.266 -6.380 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.662 -1.193 -3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.419 0.472 -5.064 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.715 1.362 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.503 -0.143 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.582 0.280 -3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.527 -0.570 0.226 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.379 -0.155 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.085 -0.572 0.513 1.00 0.00 H new ATOM 980 N GLU A 61 -6.635 -0.353 -5.324 1.00 0.00 N ATOM 981 CA GLU A 61 -7.836 0.318 -5.860 1.00 0.00 C ATOM 982 C GLU A 61 -9.066 -0.094 -5.043 1.00 0.00 C ATOM 983 O GLU A 61 -8.919 -0.612 -3.928 1.00 0.00 O ATOM 984 CB GLU A 61 -8.028 0.004 -7.372 1.00 0.00 C ATOM 985 CG GLU A 61 -8.284 -1.482 -7.689 1.00 0.00 C ATOM 986 CD GLU A 61 -8.569 -1.718 -9.174 1.00 0.00 C ATOM 987 OE1 GLU A 61 -9.736 -1.574 -9.589 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.628 -2.026 -9.941 1.00 0.00 O ATOM 0 H GLU A 61 -6.846 -1.146 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.705 1.397 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.865 0.592 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.140 0.330 -7.913 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.416 -2.070 -7.390 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.128 -1.837 -7.098 1.00 0.00 H new ATOM 995 N ALA A 62 -10.280 0.192 -5.582 1.00 0.00 N ATOM 996 CA ALA A 62 -11.576 -0.198 -4.978 1.00 0.00 C ATOM 997 C ALA A 62 -11.817 0.513 -3.628 1.00 0.00 C ATOM 998 O ALA A 62 -12.687 0.099 -2.854 1.00 0.00 O ATOM 999 CB ALA A 62 -11.676 -1.736 -4.828 1.00 0.00 C ATOM 0 H ALA A 62 -10.385 0.705 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.364 0.127 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.636 -1.996 -4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.592 -2.203 -5.809 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.870 -2.092 -4.187 1.00 0.00 H new ATOM 1005 N LEU A 63 -11.054 1.597 -3.375 1.00 0.00 N ATOM 1006 CA LEU A 63 -11.062 2.327 -2.102 1.00 0.00 C ATOM 1007 C LEU A 63 -11.897 3.618 -2.265 1.00 0.00 C ATOM 1008 O LEU A 63 -11.410 4.597 -2.831 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.599 2.646 -1.671 1.00 0.00 C ATOM 1010 CG LEU A 63 -9.411 3.345 -0.288 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -10.038 2.520 0.846 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.920 3.618 -0.005 1.00 0.00 C ATOM 0 H LEU A 63 -10.409 1.990 -4.061 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.516 1.718 -1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.037 1.712 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.150 3.279 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.930 4.302 -0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.889 3.035 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.106 2.400 0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.564 1.539 0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.817 4.105 0.964 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.373 2.675 0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.515 4.266 -0.782 1.00 0.00 H new ATOM 1024 N PRO A 64 -13.186 3.624 -1.810 1.00 0.00 N ATOM 1025 CA PRO A 64 -14.107 4.763 -1.986 1.00 0.00 C ATOM 1026 C PRO A 64 -14.099 5.747 -0.794 1.00 0.00 C ATOM 1027 O PRO A 64 -13.198 5.717 0.064 1.00 0.00 O ATOM 1028 CB PRO A 64 -15.455 4.021 -2.114 1.00 0.00 C ATOM 1029 CG PRO A 64 -15.346 2.883 -1.138 1.00 0.00 C ATOM 1030 CD PRO A 64 -13.865 2.520 -1.079 1.00 0.00 C ATOM 0 HA PRO A 64 -13.853 5.406 -2.829 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.293 4.674 -1.872 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -15.616 3.660 -3.130 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.716 3.175 -0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -15.944 2.032 -1.463 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.514 2.449 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -13.673 1.555 -1.548 1.00 0.00 H new ATOM 1038 N SER A 65 -15.122 6.612 -0.766 1.00 0.00 N ATOM 1039 CA SER A 65 -15.346 7.584 0.311 1.00 0.00 C ATOM 1040 C SER A 65 -16.874 7.857 0.429 1.00 0.00 C ATOM 1041 O SER A 65 -17.570 7.804 -0.594 1.00 0.00 O ATOM 1042 CB SER A 65 -14.567 8.887 0.004 1.00 0.00 C ATOM 1043 OG SER A 65 -15.107 9.543 -1.125 1.00 0.00 O ATOM 0 H SER A 65 -15.827 6.656 -1.502 1.00 0.00 H new ATOM 0 HA SER A 65 -14.984 7.191 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.605 9.550 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.517 8.655 -0.173 1.00 0.00 H new ATOM 0 HG SER A 65 -14.931 10.505 -1.060 1.00 0.00 H new ATOM 1049 N PRO A 66 -17.424 8.119 1.667 1.00 0.00 N ATOM 1050 CA PRO A 66 -18.863 8.461 1.875 1.00 0.00 C ATOM 1051 C PRO A 66 -19.349 9.616 0.968 1.00 0.00 C ATOM 1052 O PRO A 66 -18.617 10.589 0.740 1.00 0.00 O ATOM 1053 CB PRO A 66 -18.936 8.850 3.387 1.00 0.00 C ATOM 1054 CG PRO A 66 -17.511 8.977 3.848 1.00 0.00 C ATOM 1055 CD PRO A 66 -16.709 8.058 2.965 1.00 0.00 C ATOM 0 HA PRO A 66 -19.517 7.629 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.476 9.787 3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.466 8.090 3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.162 10.006 3.760 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.413 8.695 4.896 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.676 8.392 2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.681 7.043 3.361 1.00 0.00 H new ATOM 1063 N VAL A 67 -20.577 9.480 0.432 1.00 0.00 N ATOM 1064 CA VAL A 67 -21.184 10.494 -0.443 1.00 0.00 C ATOM 1065 C VAL A 67 -21.921 11.517 0.431 1.00 0.00 C ATOM 1066 O VAL A 67 -22.963 11.213 1.016 1.00 0.00 O ATOM 1067 CB VAL A 67 -22.176 9.866 -1.495 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.699 10.943 -2.483 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -21.508 8.683 -2.236 1.00 0.00 C ATOM 0 H VAL A 67 -21.172 8.667 0.594 1.00 0.00 H new ATOM 0 HA VAL A 67 -20.388 10.975 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 67 -23.041 9.474 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.381 10.481 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -23.225 11.720 -1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.858 11.385 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -22.209 8.263 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -20.618 9.036 -2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -21.226 7.915 -1.516 1.00 0.00 H new ATOM 1079 N ILE A 68 -21.349 12.717 0.529 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.924 13.840 1.274 1.00 0.00 C ATOM 1081 C ILE A 68 -22.503 14.827 0.254 1.00 0.00 C ATOM 1082 O ILE A 68 -21.825 15.182 -0.707 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.822 14.529 2.163 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -20.114 13.464 3.065 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.425 15.671 3.017 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.928 13.982 3.850 1.00 0.00 C ATOM 0 H ILE A 68 -20.458 12.941 0.086 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.710 13.493 1.945 1.00 0.00 H new ATOM 0 HB ILE A 68 -20.077 14.974 1.504 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.845 13.058 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.782 12.639 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.640 16.128 3.620 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.863 16.423 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -22.197 15.267 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -18.504 13.173 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -18.173 14.361 3.161 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.252 14.786 4.511 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.756 15.257 0.454 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.461 16.113 -0.512 1.00 0.00 C ATOM 1100 C ILE A 69 -23.933 17.553 -0.394 1.00 0.00 C ATOM 1101 O ILE A 69 -23.837 18.095 0.711 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.023 16.051 -0.291 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.529 14.564 -0.305 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -26.784 16.895 -1.343 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.237 13.779 -1.586 1.00 0.00 C ATOM 0 H ILE A 69 -24.306 15.025 1.281 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.268 15.749 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.231 16.480 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -26.076 14.037 0.534 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.606 14.564 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -27.856 16.827 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -26.469 17.936 -1.272 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -26.564 16.517 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.628 12.766 -1.489 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -26.714 14.273 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.160 13.738 -1.750 1.00 0.00 H new ATOM 1117 N GLY A 70 -23.569 18.153 -1.539 1.00 0.00 N ATOM 1118 CA GLY A 70 -22.936 19.474 -1.561 1.00 0.00 C ATOM 1119 C GLY A 70 -21.433 19.415 -1.320 1.00 0.00 C ATOM 1120 O GLY A 70 -20.784 20.452 -1.181 1.00 0.00 O ATOM 0 H GLY A 70 -23.704 17.740 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -23.126 19.946 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -23.396 20.105 -0.800 1.00 0.00 H new ATOM 1124 N TYR A 71 -20.873 18.194 -1.275 1.00 0.00 N ATOM 1125 CA TYR A 71 -19.434 17.957 -1.068 1.00 0.00 C ATOM 1126 C TYR A 71 -18.978 16.814 -1.962 1.00 0.00 C ATOM 1127 O TYR A 71 -19.727 15.876 -2.206 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.119 17.595 0.411 1.00 0.00 C ATOM 1129 CG TYR A 71 -19.280 18.756 1.400 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -18.228 19.640 1.645 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -20.476 18.963 2.090 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -18.365 20.685 2.530 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -20.615 20.009 2.977 1.00 0.00 C ATOM 1134 CZ TYR A 71 -19.553 20.866 3.200 1.00 0.00 C ATOM 1135 OH TYR A 71 -19.688 21.922 4.083 1.00 0.00 O ATOM 0 H TYR A 71 -21.412 17.335 -1.382 1.00 0.00 H new ATOM 0 HA TYR A 71 -18.904 18.876 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.773 16.779 0.719 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.096 17.223 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -17.289 19.501 1.130 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -21.306 18.292 1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -17.541 21.362 2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -21.550 20.159 3.496 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.587 21.910 4.472 1.00 0.00 H new ATOM 1145 N THR A 72 -17.746 16.885 -2.440 1.00 0.00 N ATOM 1146 CA THR A 72 -17.104 15.785 -3.152 1.00 0.00 C ATOM 1147 C THR A 72 -15.626 15.793 -2.768 1.00 0.00 C ATOM 1148 O THR A 72 -14.991 16.861 -2.738 1.00 0.00 O ATOM 1149 CB THR A 72 -17.283 15.890 -4.707 1.00 0.00 C ATOM 1150 OG1 THR A 72 -18.678 16.069 -5.031 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.759 14.631 -5.440 1.00 0.00 C ATOM 0 H THR A 72 -17.157 17.712 -2.346 1.00 0.00 H new ATOM 0 HA THR A 72 -17.575 14.845 -2.865 1.00 0.00 H new ATOM 0 HB THR A 72 -16.699 16.748 -5.040 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.782 16.135 -6.003 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.904 14.749 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.697 14.502 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.307 13.754 -5.094 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.099 14.603 -2.452 1.00 0.00 N ATOM 1160 CA ALA A 73 -13.729 14.425 -1.978 1.00 0.00 C ATOM 1161 C ALA A 73 -12.703 14.768 -3.068 1.00 0.00 C ATOM 1162 O ALA A 73 -13.007 14.717 -4.268 1.00 0.00 O ATOM 1163 CB ALA A 73 -13.545 12.990 -1.483 1.00 0.00 C ATOM 0 H ALA A 73 -15.622 13.730 -2.521 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.555 15.115 -1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.523 12.856 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.241 12.795 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.740 12.295 -2.300 1.00 0.00 H new ATOM 1169 N ASP A 74 -11.480 15.110 -2.623 1.00 0.00 N ATOM 1170 CA ASP A 74 -10.339 15.425 -3.511 1.00 0.00 C ATOM 1171 C ASP A 74 -9.917 14.164 -4.309 1.00 0.00 C ATOM 1172 O ASP A 74 -9.332 14.248 -5.400 1.00 0.00 O ATOM 1173 CB ASP A 74 -9.162 15.982 -2.659 1.00 0.00 C ATOM 1174 CG ASP A 74 -8.042 16.622 -3.500 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -7.176 15.896 -4.017 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.011 17.862 -3.641 1.00 0.00 O ATOM 0 H ASP A 74 -11.251 15.177 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.633 16.187 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -9.549 16.723 -1.960 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -8.740 15.172 -2.063 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.234 13.002 -3.723 1.00 0.00 N ATOM 1182 CA LYS A 75 -10.115 11.690 -4.350 1.00 0.00 C ATOM 1183 C LYS A 75 -11.233 10.796 -3.771 1.00 0.00 C ATOM 1184 O LYS A 75 -11.018 10.069 -2.798 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.691 11.063 -4.161 1.00 0.00 C ATOM 1186 CG LYS A 75 -8.113 11.108 -2.714 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.368 12.417 -2.369 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.119 12.610 -3.236 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.407 13.875 -2.920 1.00 0.00 N ATOM 0 H LYS A 75 -10.591 12.954 -2.769 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.235 11.783 -5.429 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.728 10.023 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.997 11.579 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.929 10.970 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.430 10.269 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.040 13.264 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.082 12.405 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.443 11.768 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.405 12.609 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.472 13.870 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.960 14.682 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.290 13.959 -1.890 1.00 0.00 H new ATOM 1203 N PRO A 76 -12.478 10.855 -4.357 1.00 0.00 N ATOM 1204 CA PRO A 76 -13.629 10.064 -3.851 1.00 0.00 C ATOM 1205 C PRO A 76 -13.488 8.547 -4.127 1.00 0.00 C ATOM 1206 O PRO A 76 -14.279 7.740 -3.623 1.00 0.00 O ATOM 1207 CB PRO A 76 -14.837 10.690 -4.597 1.00 0.00 C ATOM 1208 CG PRO A 76 -14.268 11.233 -5.867 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.858 11.683 -5.539 1.00 0.00 C ATOM 0 HA PRO A 76 -13.724 10.112 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.607 9.945 -4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -15.302 11.478 -4.004 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -14.262 10.472 -6.648 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.866 12.065 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -12.181 11.516 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.823 12.748 -5.308 1.00 0.00 H new ATOM 1217 N MET A 77 -12.452 8.187 -4.900 1.00 0.00 N ATOM 1218 CA MET A 77 -12.060 6.812 -5.173 1.00 0.00 C ATOM 1219 C MET A 77 -10.525 6.775 -5.316 1.00 0.00 C ATOM 1220 O MET A 77 -9.986 7.111 -6.382 1.00 0.00 O ATOM 1221 CB MET A 77 -12.764 6.295 -6.462 1.00 0.00 C ATOM 1222 CG MET A 77 -12.475 4.829 -6.800 1.00 0.00 C ATOM 1223 SD MET A 77 -13.202 4.296 -8.365 1.00 0.00 S ATOM 1224 CE MET A 77 -12.599 2.609 -8.500 1.00 0.00 C ATOM 0 H MET A 77 -11.852 8.871 -5.362 1.00 0.00 H new ATOM 0 HA MET A 77 -12.365 6.157 -4.357 1.00 0.00 H new ATOM 0 HB2 MET A 77 -13.841 6.423 -6.349 1.00 0.00 H new ATOM 0 HB3 MET A 77 -12.456 6.916 -7.303 1.00 0.00 H new ATOM 0 HG2 MET A 77 -11.396 4.679 -6.840 1.00 0.00 H new ATOM 0 HG3 MET A 77 -12.855 4.197 -5.997 1.00 0.00 H new ATOM 0 HE1 MET A 77 -12.973 2.162 -9.421 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.509 2.612 -8.514 1.00 0.00 H new ATOM 0 HE3 MET A 77 -12.949 2.028 -7.647 1.00 0.00 H new ATOM 1234 N VAL A 78 -9.838 6.445 -4.209 1.00 0.00 N ATOM 1235 CA VAL A 78 -8.373 6.308 -4.168 1.00 0.00 C ATOM 1236 C VAL A 78 -7.947 5.041 -4.913 1.00 0.00 C ATOM 1237 O VAL A 78 -8.235 3.918 -4.481 1.00 0.00 O ATOM 1238 CB VAL A 78 -7.843 6.275 -2.685 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -6.345 5.890 -2.603 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -8.100 7.623 -1.993 1.00 0.00 C ATOM 0 H VAL A 78 -10.288 6.265 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.935 7.177 -4.659 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.398 5.497 -2.160 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.028 5.881 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.200 4.900 -3.035 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.751 6.618 -3.157 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.728 7.583 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.584 8.415 -2.536 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.170 7.828 -1.982 1.00 0.00 H new ATOM 1250 N GLY A 79 -7.287 5.239 -6.061 1.00 0.00 N ATOM 1251 CA GLY A 79 -6.801 4.149 -6.891 1.00 0.00 C ATOM 1252 C GLY A 79 -5.387 4.411 -7.399 1.00 0.00 C ATOM 1253 O GLY A 79 -5.216 4.936 -8.504 1.00 0.00 O ATOM 0 H GLY A 79 -7.079 6.165 -6.434 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.815 3.222 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.472 4.011 -7.739 1.00 0.00 H new ATOM 1257 N PRO A 80 -4.319 4.079 -6.588 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.901 4.015 -7.069 1.00 0.00 C ATOM 1259 C PRO A 80 -2.648 2.897 -8.111 1.00 0.00 C ATOM 1260 O PRO A 80 -1.509 2.714 -8.566 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.091 3.760 -5.762 1.00 0.00 C ATOM 1262 CG PRO A 80 -3.019 4.159 -4.648 1.00 0.00 C ATOM 1263 CD PRO A 80 -4.398 3.802 -5.132 1.00 0.00 C ATOM 0 HA PRO A 80 -2.616 4.926 -7.595 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.798 2.714 -5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.175 4.350 -5.743 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.777 3.630 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.941 5.225 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.639 2.758 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.165 4.405 -4.647 1.00 0.00 H new ATOM 1271 N ASP A 81 -3.722 2.141 -8.443 1.00 0.00 N ATOM 1272 CA ASP A 81 -3.762 1.116 -9.497 1.00 0.00 C ATOM 1273 C ASP A 81 -2.966 -0.137 -9.066 1.00 0.00 C ATOM 1274 O ASP A 81 -3.521 -1.055 -8.461 1.00 0.00 O ATOM 1275 CB ASP A 81 -3.315 1.710 -10.875 1.00 0.00 C ATOM 1276 CG ASP A 81 -3.256 0.684 -12.023 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -4.311 0.372 -12.609 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -2.147 0.200 -12.349 1.00 0.00 O ATOM 0 H ASP A 81 -4.616 2.237 -7.961 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.791 0.786 -9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.003 2.508 -11.153 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.331 2.164 -10.759 1.00 0.00 H new ATOM 1283 N GLU A 82 -1.659 -0.141 -9.359 1.00 0.00 N ATOM 1284 CA GLU A 82 -0.736 -1.235 -8.993 1.00 0.00 C ATOM 1285 C GLU A 82 0.628 -0.670 -8.572 1.00 0.00 C ATOM 1286 O GLU A 82 1.126 0.282 -9.178 1.00 0.00 O ATOM 1287 CB GLU A 82 -0.581 -2.245 -10.167 1.00 0.00 C ATOM 1288 CG GLU A 82 -1.825 -3.128 -10.430 1.00 0.00 C ATOM 1289 CD GLU A 82 -1.676 -4.116 -11.605 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -1.085 -5.201 -11.419 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -2.176 -3.833 -12.716 1.00 0.00 O ATOM 0 H GLU A 82 -1.203 0.621 -9.862 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.160 -1.771 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.347 -1.691 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.271 -2.893 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.052 -3.692 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.680 -2.480 -10.624 1.00 0.00 H new ATOM 1298 N VAL A 83 1.207 -1.262 -7.511 1.00 0.00 N ATOM 1299 CA VAL A 83 2.534 -0.899 -6.983 1.00 0.00 C ATOM 1300 C VAL A 83 3.481 -2.099 -7.144 1.00 0.00 C ATOM 1301 O VAL A 83 3.210 -3.179 -6.615 1.00 0.00 O ATOM 1302 CB VAL A 83 2.460 -0.471 -5.462 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.871 -0.221 -4.870 1.00 0.00 C ATOM 1304 CG2 VAL A 83 1.551 0.770 -5.283 1.00 0.00 C ATOM 0 H VAL A 83 0.760 -2.016 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 83 2.908 -0.044 -7.546 1.00 0.00 H new ATOM 0 HB VAL A 83 2.018 -1.298 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.780 0.071 -3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.463 -1.134 -4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.364 0.576 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.515 1.046 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.952 1.602 -5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.545 0.537 -5.631 1.00 0.00 H new ATOM 1314 N THR A 84 4.576 -1.904 -7.890 1.00 0.00 N ATOM 1315 CA THR A 84 5.612 -2.921 -8.083 1.00 0.00 C ATOM 1316 C THR A 84 6.794 -2.641 -7.135 1.00 0.00 C ATOM 1317 O THR A 84 7.603 -1.745 -7.399 1.00 0.00 O ATOM 1318 CB THR A 84 6.104 -2.929 -9.573 1.00 0.00 C ATOM 1319 OG1 THR A 84 4.976 -2.949 -10.463 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.008 -4.129 -9.886 1.00 0.00 C ATOM 0 H THR A 84 4.767 -1.029 -8.379 1.00 0.00 H new ATOM 0 HA THR A 84 5.192 -3.901 -7.855 1.00 0.00 H new ATOM 0 HB THR A 84 6.689 -2.021 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.291 -2.952 -11.391 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.321 -4.087 -10.929 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.887 -4.100 -9.242 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.459 -5.054 -9.709 1.00 0.00 H new ATOM 1328 N VAL A 85 6.877 -3.393 -6.029 1.00 0.00 N ATOM 1329 CA VAL A 85 8.001 -3.295 -5.081 1.00 0.00 C ATOM 1330 C VAL A 85 9.039 -4.359 -5.456 1.00 0.00 C ATOM 1331 O VAL A 85 8.708 -5.544 -5.569 1.00 0.00 O ATOM 1332 CB VAL A 85 7.531 -3.473 -3.584 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.724 -3.582 -2.601 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.582 -2.327 -3.170 1.00 0.00 C ATOM 0 H VAL A 85 6.173 -4.083 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 85 8.438 -2.299 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 85 6.987 -4.416 -3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.348 -3.703 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.337 -4.444 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.327 -2.676 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.270 -2.469 -2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.100 -1.373 -3.265 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.705 -2.329 -3.817 1.00 0.00 H new ATOM 1344 N ASP A 86 10.286 -3.905 -5.667 1.00 0.00 N ATOM 1345 CA ASP A 86 11.421 -4.758 -6.055 1.00 0.00 C ATOM 1346 C ASP A 86 12.049 -5.391 -4.827 1.00 0.00 C ATOM 1347 O ASP A 86 11.787 -4.977 -3.699 1.00 0.00 O ATOM 1348 CB ASP A 86 12.508 -3.924 -6.778 1.00 0.00 C ATOM 1349 CG ASP A 86 12.024 -3.307 -8.086 1.00 0.00 C ATOM 1350 OD1 ASP A 86 11.495 -2.180 -8.049 1.00 0.00 O ATOM 1351 OD2 ASP A 86 12.159 -3.946 -9.155 1.00 0.00 O ATOM 0 H ASP A 86 10.537 -2.921 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 86 11.041 -5.531 -6.723 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.848 -3.130 -6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.369 -4.561 -6.981 1.00 0.00 H new ATOM 1356 N SER A 87 12.917 -6.370 -5.091 1.00 0.00 N ATOM 1357 CA SER A 87 13.818 -6.974 -4.093 1.00 0.00 C ATOM 1358 C SER A 87 14.798 -5.911 -3.543 1.00 0.00 C ATOM 1359 O SER A 87 15.265 -5.996 -2.402 1.00 0.00 O ATOM 1360 CB SER A 87 14.589 -8.146 -4.764 1.00 0.00 C ATOM 1361 OG SER A 87 15.374 -8.887 -3.846 1.00 0.00 O ATOM 0 H SER A 87 13.019 -6.777 -6.021 1.00 0.00 H new ATOM 0 HA SER A 87 13.240 -7.357 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.876 -8.814 -5.247 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.234 -7.748 -5.548 1.00 0.00 H new ATOM 0 HG SER A 87 15.692 -9.709 -4.276 1.00 0.00 H new ATOM 1367 N LYS A 88 15.064 -4.905 -4.398 1.00 0.00 N ATOM 1368 CA LYS A 88 15.971 -3.781 -4.134 1.00 0.00 C ATOM 1369 C LYS A 88 15.490 -2.964 -2.917 1.00 0.00 C ATOM 1370 O LYS A 88 16.222 -2.799 -1.930 1.00 0.00 O ATOM 1371 CB LYS A 88 16.023 -2.875 -5.402 1.00 0.00 C ATOM 1372 CG LYS A 88 16.361 -3.630 -6.706 1.00 0.00 C ATOM 1373 CD LYS A 88 16.256 -2.736 -7.969 1.00 0.00 C ATOM 1374 CE LYS A 88 16.532 -3.519 -9.266 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.896 -4.118 -9.285 1.00 0.00 N ATOM 0 H LYS A 88 14.636 -4.855 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 88 16.966 -4.164 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 88 15.059 -2.380 -5.521 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.766 -2.093 -5.246 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.372 -4.032 -6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.687 -4.480 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.260 -2.296 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.965 -1.912 -7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.789 -4.309 -9.376 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.418 -2.853 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.080 -4.533 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 18.602 -3.380 -9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.959 -4.860 -8.559 1.00 0.00 H new ATOM 1389 N ASN A 89 14.232 -2.476 -3.003 1.00 0.00 N ATOM 1390 CA ASN A 89 13.622 -1.596 -1.981 1.00 0.00 C ATOM 1391 C ASN A 89 12.595 -2.355 -1.119 1.00 0.00 C ATOM 1392 O ASN A 89 11.814 -1.732 -0.387 1.00 0.00 O ATOM 1393 CB ASN A 89 12.954 -0.365 -2.659 1.00 0.00 C ATOM 1394 CG ASN A 89 11.727 -0.712 -3.519 1.00 0.00 C ATOM 1395 OD1 ASN A 89 11.693 -1.733 -4.205 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.710 0.125 -3.463 1.00 0.00 N ATOM 0 H ASN A 89 13.610 -2.682 -3.785 1.00 0.00 H new ATOM 0 HA ASN A 89 14.418 -1.251 -1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.655 0.344 -1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.692 0.137 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.863 -0.065 -3.998 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.770 0.963 -2.884 1.00 0.00 H new ATOM 1403 N PHE A 90 12.629 -3.703 -1.178 1.00 0.00 N ATOM 1404 CA PHE A 90 11.722 -4.578 -0.399 1.00 0.00 C ATOM 1405 C PHE A 90 11.918 -4.374 1.121 1.00 0.00 C ATOM 1406 O PHE A 90 11.014 -4.619 1.915 1.00 0.00 O ATOM 1407 CB PHE A 90 11.959 -6.066 -0.779 1.00 0.00 C ATOM 1408 CG PHE A 90 10.994 -7.041 -0.110 1.00 0.00 C ATOM 1409 CD1 PHE A 90 9.719 -7.258 -0.624 1.00 0.00 C ATOM 1410 CD2 PHE A 90 11.356 -7.720 1.048 1.00 0.00 C ATOM 1411 CE1 PHE A 90 8.843 -8.127 -0.006 1.00 0.00 C ATOM 1412 CE2 PHE A 90 10.480 -8.579 1.666 1.00 0.00 C ATOM 1413 CZ PHE A 90 9.225 -8.791 1.142 1.00 0.00 C ATOM 0 H PHE A 90 13.285 -4.217 -1.766 1.00 0.00 H new ATOM 0 HA PHE A 90 10.695 -4.307 -0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 90 11.874 -6.172 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.979 -6.340 -0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 90 9.411 -6.739 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.340 -7.570 1.468 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.859 -8.287 -0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.778 -9.091 2.569 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.543 -9.474 1.627 1.00 0.00 H new ATOM 1423 N LEU A 91 13.112 -3.906 1.492 1.00 0.00 N ATOM 1424 CA LEU A 91 13.514 -3.712 2.890 1.00 0.00 C ATOM 1425 C LEU A 91 12.786 -2.506 3.516 1.00 0.00 C ATOM 1426 O LEU A 91 12.605 -2.442 4.738 1.00 0.00 O ATOM 1427 CB LEU A 91 15.058 -3.544 2.993 1.00 0.00 C ATOM 1428 CG LEU A 91 15.930 -4.756 2.506 1.00 0.00 C ATOM 1429 CD1 LEU A 91 15.447 -6.079 3.148 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.986 -4.864 0.954 1.00 0.00 C ATOM 0 H LEU A 91 13.837 -3.647 0.823 1.00 0.00 H new ATOM 0 HA LEU A 91 13.226 -4.600 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.344 -2.664 2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.310 -3.339 4.033 1.00 0.00 H new ATOM 0 HG LEU A 91 16.951 -4.569 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.067 -6.903 2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.524 -6.006 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 91 14.409 -6.261 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.601 -5.718 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.978 -4.997 0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.418 -3.952 0.541 1.00 0.00 H new ATOM 1442 N ASP A 92 12.363 -1.568 2.654 1.00 0.00 N ATOM 1443 CA ASP A 92 11.582 -0.386 3.043 1.00 0.00 C ATOM 1444 C ASP A 92 10.089 -0.705 2.923 1.00 0.00 C ATOM 1445 O ASP A 92 9.658 -1.345 1.951 1.00 0.00 O ATOM 1446 CB ASP A 92 11.941 0.820 2.139 1.00 0.00 C ATOM 1447 CG ASP A 92 11.207 2.128 2.499 1.00 0.00 C ATOM 1448 OD1 ASP A 92 11.661 2.840 3.424 1.00 0.00 O ATOM 1449 OD2 ASP A 92 10.187 2.458 1.856 1.00 0.00 O ATOM 0 H ASP A 92 12.557 -1.611 1.654 1.00 0.00 H new ATOM 0 HA ASP A 92 11.818 -0.125 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.016 0.994 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.714 0.563 1.104 1.00 0.00 H new ATOM 1454 N LYS A 93 9.315 -0.293 3.930 1.00 0.00 N ATOM 1455 CA LYS A 93 7.851 -0.397 3.900 1.00 0.00 C ATOM 1456 C LYS A 93 7.273 0.945 3.446 1.00 0.00 C ATOM 1457 O LYS A 93 7.748 2.014 3.859 1.00 0.00 O ATOM 1458 CB LYS A 93 7.267 -0.812 5.285 1.00 0.00 C ATOM 1459 CG LYS A 93 7.423 0.225 6.425 1.00 0.00 C ATOM 1460 CD LYS A 93 6.631 -0.171 7.702 1.00 0.00 C ATOM 1461 CE LYS A 93 6.544 0.958 8.746 1.00 0.00 C ATOM 1462 NZ LYS A 93 7.877 1.395 9.241 1.00 0.00 N ATOM 0 H LYS A 93 9.682 0.121 4.787 1.00 0.00 H new ATOM 0 HA LYS A 93 7.569 -1.181 3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 93 6.206 -1.028 5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.747 -1.740 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.479 0.330 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.080 1.199 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.622 -0.469 7.416 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.104 -1.041 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.027 1.812 8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.942 0.620 9.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.756 2.155 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.363 0.590 9.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.446 1.745 8.444 1.00 0.00 H new ATOM 1476 N GLN A 94 6.247 0.894 2.592 1.00 0.00 N ATOM 1477 CA GLN A 94 5.620 2.101 2.037 1.00 0.00 C ATOM 1478 C GLN A 94 4.325 2.399 2.809 1.00 0.00 C ATOM 1479 O GLN A 94 3.243 2.446 2.221 1.00 0.00 O ATOM 1480 CB GLN A 94 5.329 1.916 0.521 1.00 0.00 C ATOM 1481 CG GLN A 94 6.456 1.269 -0.303 1.00 0.00 C ATOM 1482 CD GLN A 94 6.083 1.098 -1.772 1.00 0.00 C ATOM 1483 OE1 GLN A 94 4.909 0.948 -2.106 1.00 0.00 O ATOM 1484 NE2 GLN A 94 7.071 1.095 -2.650 1.00 0.00 N ATOM 0 H GLN A 94 5.829 0.023 2.267 1.00 0.00 H new ATOM 0 HA GLN A 94 6.301 2.945 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.431 1.307 0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.105 2.892 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.354 1.883 -0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.699 0.295 0.122 1.00 0.00 H new ATOM 0 HE21 GLN A 94 8.033 1.222 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.871 0.965 -3.642 1.00 0.00 H new ATOM 1493 N ASN A 95 4.446 2.568 4.140 1.00 0.00 N ATOM 1494 CA ASN A 95 3.301 2.899 5.009 1.00 0.00 C ATOM 1495 C ASN A 95 2.628 4.199 4.517 1.00 0.00 C ATOM 1496 O ASN A 95 3.089 5.306 4.799 1.00 0.00 O ATOM 1497 CB ASN A 95 3.746 3.001 6.492 1.00 0.00 C ATOM 1498 CG ASN A 95 2.589 3.361 7.429 1.00 0.00 C ATOM 1499 OD1 ASN A 95 1.864 2.488 7.896 1.00 0.00 O ATOM 1500 ND2 ASN A 95 2.407 4.639 7.706 1.00 0.00 N ATOM 0 H ASN A 95 5.331 2.480 4.639 1.00 0.00 H new ATOM 0 HA ASN A 95 2.565 2.097 4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 95 4.179 2.051 6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 95 4.529 3.754 6.582 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.647 4.924 8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.027 5.342 7.302 1.00 0.00 H new ATOM 1507 N ARG A 96 1.573 4.009 3.722 1.00 0.00 N ATOM 1508 CA ARG A 96 0.850 5.071 3.020 1.00 0.00 C ATOM 1509 C ARG A 96 -0.295 5.599 3.906 1.00 0.00 C ATOM 1510 O ARG A 96 -0.917 4.832 4.644 1.00 0.00 O ATOM 1511 CB ARG A 96 0.314 4.479 1.681 1.00 0.00 C ATOM 1512 CG ARG A 96 -0.386 5.487 0.757 1.00 0.00 C ATOM 1513 CD ARG A 96 -0.869 4.870 -0.566 1.00 0.00 C ATOM 1514 NE ARG A 96 -1.442 5.894 -1.454 1.00 0.00 N ATOM 1515 CZ ARG A 96 -0.981 6.219 -2.668 1.00 0.00 C ATOM 1516 NH1 ARG A 96 0.064 5.569 -3.205 1.00 0.00 N ATOM 1517 NH2 ARG A 96 -1.591 7.173 -3.362 1.00 0.00 N ATOM 0 H ARG A 96 1.186 3.082 3.544 1.00 0.00 H new ATOM 0 HA ARG A 96 1.506 5.914 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.148 4.032 1.140 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -0.385 3.675 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -1.239 5.917 1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.300 6.305 0.539 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.035 4.377 -1.066 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.616 4.103 -0.361 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.261 6.400 -1.115 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.518 4.817 -2.687 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.404 5.828 -4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.402 7.650 -2.969 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -1.248 7.429 -4.288 1.00 0.00 H new ATOM 1531 N GLU A 97 -0.544 6.908 3.864 1.00 0.00 N ATOM 1532 CA GLU A 97 -1.669 7.529 4.573 1.00 0.00 C ATOM 1533 C GLU A 97 -2.161 8.747 3.789 1.00 0.00 C ATOM 1534 O GLU A 97 -1.366 9.643 3.460 1.00 0.00 O ATOM 1535 CB GLU A 97 -1.279 7.899 6.028 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.408 8.572 6.837 1.00 0.00 C ATOM 1537 CD GLU A 97 -2.145 8.583 8.346 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -1.506 9.530 8.848 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -2.560 7.634 9.042 1.00 0.00 O ATOM 0 H GLU A 97 0.027 7.570 3.338 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.486 6.811 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.965 6.994 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.418 8.567 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.534 9.597 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.346 8.052 6.642 1.00 0.00 H new ATOM 1546 N GLU A 98 -3.470 8.768 3.465 1.00 0.00 N ATOM 1547 CA GLU A 98 -4.103 9.864 2.710 1.00 0.00 C ATOM 1548 C GLU A 98 -5.426 10.254 3.364 1.00 0.00 C ATOM 1549 O GLU A 98 -6.151 9.398 3.855 1.00 0.00 O ATOM 1550 CB GLU A 98 -4.362 9.443 1.233 1.00 0.00 C ATOM 1551 CG GLU A 98 -3.113 8.922 0.497 1.00 0.00 C ATOM 1552 CD GLU A 98 -3.329 8.697 -0.997 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -3.911 7.664 -1.372 1.00 0.00 O ATOM 1554 OE2 GLU A 98 -2.895 9.537 -1.812 1.00 0.00 O ATOM 0 H GLU A 98 -4.118 8.023 3.721 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.424 10.717 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.129 8.669 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.761 10.298 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.299 9.633 0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -2.798 7.984 0.955 1.00 0.00 H new ATOM 1561 N THR A 99 -5.721 11.553 3.387 1.00 0.00 N ATOM 1562 CA THR A 99 -7.039 12.064 3.744 1.00 0.00 C ATOM 1563 C THR A 99 -7.719 12.572 2.472 1.00 0.00 C ATOM 1564 O THR A 99 -7.097 13.299 1.678 1.00 0.00 O ATOM 1565 CB THR A 99 -6.944 13.221 4.792 1.00 0.00 C ATOM 1566 OG1 THR A 99 -6.242 12.766 5.957 1.00 0.00 O ATOM 1567 CG2 THR A 99 -8.332 13.741 5.206 1.00 0.00 C ATOM 0 H THR A 99 -5.047 12.283 3.157 1.00 0.00 H new ATOM 0 HA THR A 99 -7.619 11.260 4.197 1.00 0.00 H new ATOM 0 HB THR A 99 -6.403 14.043 4.322 1.00 0.00 H new ATOM 0 HG1 THR A 99 -6.184 13.495 6.609 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.217 14.543 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.855 14.120 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.908 12.928 5.649 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.973 12.171 2.257 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.793 12.738 1.185 1.00 0.00 C ATOM 1577 C VAL A 100 -10.416 14.036 1.716 1.00 0.00 C ATOM 1578 O VAL A 100 -10.805 14.116 2.891 1.00 0.00 O ATOM 1579 CB VAL A 100 -10.888 11.737 0.674 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -10.266 10.366 0.348 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -12.063 11.589 1.657 1.00 0.00 C ATOM 0 H VAL A 100 -9.443 11.455 2.811 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.166 12.945 0.317 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.300 12.161 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.044 9.688 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.509 10.485 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.804 9.953 1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -12.790 10.885 1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -11.693 11.219 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -12.540 12.558 1.803 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.459 15.059 0.870 1.00 0.00 N ATOM 1592 CA ILE A 101 -10.902 16.405 1.266 1.00 0.00 C ATOM 1593 C ILE A 101 -12.227 16.745 0.587 1.00 0.00 C ATOM 1594 O ILE A 101 -12.274 16.983 -0.625 1.00 0.00 O ATOM 1595 CB ILE A 101 -9.793 17.475 0.943 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -8.526 17.241 1.837 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -10.320 18.920 1.092 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -8.763 17.373 3.342 1.00 0.00 C ATOM 0 H ILE A 101 -10.189 14.986 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.064 16.420 2.344 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.508 17.348 -0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.135 16.245 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -7.755 17.953 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.521 19.624 0.860 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.153 19.076 0.406 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.658 19.080 2.116 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.829 17.194 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.122 18.377 3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.507 16.642 3.659 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.301 16.747 1.392 1.00 0.00 N ATOM 1611 CA TYR A 102 -14.642 17.085 0.948 1.00 0.00 C ATOM 1612 C TYR A 102 -14.738 18.585 0.760 1.00 0.00 C ATOM 1613 O TYR A 102 -14.850 19.355 1.716 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.697 16.582 1.952 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.780 15.065 1.987 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.525 14.380 1.033 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -15.088 14.320 2.941 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.575 13.012 1.036 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -15.143 12.952 2.944 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.886 12.305 1.992 1.00 0.00 C ATOM 1621 OH TYR A 102 -15.924 10.951 1.983 1.00 0.00 O ATOM 0 H TYR A 102 -13.250 16.509 2.383 1.00 0.00 H new ATOM 0 HA TYR A 102 -14.842 16.593 -0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.455 16.954 2.948 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.672 16.991 1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -17.070 14.933 0.282 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.499 14.830 3.689 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -17.154 12.490 0.289 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -14.605 12.387 3.691 1.00 0.00 H new ATOM 0 HH TYR A 102 -16.772 10.650 1.594 1.00 0.00 H new ATOM 1631 N SER A 103 -14.698 18.971 -0.491 1.00 0.00 N ATOM 1632 CA SER A 103 -14.725 20.350 -0.919 1.00 0.00 C ATOM 1633 C SER A 103 -16.064 20.558 -1.621 1.00 0.00 C ATOM 1634 O SER A 103 -16.607 19.605 -2.207 1.00 0.00 O ATOM 1635 CB SER A 103 -13.504 20.611 -1.834 1.00 0.00 C ATOM 1636 OG SER A 103 -13.343 19.578 -2.791 1.00 0.00 O ATOM 0 H SER A 103 -14.644 18.312 -1.267 1.00 0.00 H new ATOM 0 HA SER A 103 -14.649 21.060 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 103 -13.628 21.566 -2.345 1.00 0.00 H new ATOM 0 HB3 SER A 103 -12.603 20.689 -1.226 1.00 0.00 H new ATOM 0 HG SER A 103 -12.565 19.772 -3.354 1.00 0.00 H new ATOM 1642 N ALA A 104 -16.603 21.775 -1.515 1.00 0.00 N ATOM 1643 CA ALA A 104 -17.919 22.131 -2.058 1.00 0.00 C ATOM 1644 C ALA A 104 -17.995 21.776 -3.551 1.00 0.00 C ATOM 1645 O ALA A 104 -17.100 22.143 -4.315 1.00 0.00 O ATOM 1646 CB ALA A 104 -18.188 23.630 -1.822 1.00 0.00 C ATOM 0 H ALA A 104 -16.134 22.550 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 104 -18.691 21.559 -1.543 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -19.166 23.892 -2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -18.169 23.839 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -17.419 24.220 -2.320 1.00 0.00 H new ATOM 1652 N ASN A 105 -19.026 21.001 -3.939 1.00 0.00 N ATOM 1653 CA ASN A 105 -19.224 20.595 -5.342 1.00 0.00 C ATOM 1654 C ASN A 105 -19.755 21.780 -6.176 1.00 0.00 C ATOM 1655 O ASN A 105 -20.231 22.774 -5.606 1.00 0.00 O ATOM 1656 CB ASN A 105 -20.163 19.354 -5.452 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.602 19.542 -4.947 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -22.108 20.652 -4.799 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -22.299 18.437 -4.717 1.00 0.00 N ATOM 0 H ASN A 105 -19.735 20.644 -3.299 1.00 0.00 H new ATOM 0 HA ASN A 105 -18.257 20.300 -5.748 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -20.205 19.048 -6.497 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.710 18.532 -4.897 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -23.270 18.501 -4.412 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.864 17.524 -4.845 1.00 0.00 H new ATOM 1666 N THR A 106 -19.684 21.645 -7.516 1.00 0.00 N ATOM 1667 CA THR A 106 -20.143 22.666 -8.498 1.00 0.00 C ATOM 1668 C THR A 106 -21.541 23.248 -8.162 1.00 0.00 C ATOM 1669 O THR A 106 -21.779 24.443 -8.349 1.00 0.00 O ATOM 1670 CB THR A 106 -20.172 22.057 -9.947 1.00 0.00 C ATOM 1671 OG1 THR A 106 -20.749 22.983 -10.887 1.00 0.00 O ATOM 1672 CG2 THR A 106 -20.948 20.727 -9.997 1.00 0.00 C ATOM 0 H THR A 106 -19.300 20.811 -7.960 1.00 0.00 H new ATOM 0 HA THR A 106 -19.426 23.485 -8.444 1.00 0.00 H new ATOM 0 HB THR A 106 -19.136 21.862 -10.224 1.00 0.00 H new ATOM 0 HG1 THR A 106 -20.176 23.774 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 106 -20.943 20.341 -11.016 1.00 0.00 H new ATOM 0 HG22 THR A 106 -20.474 20.004 -9.333 1.00 0.00 H new ATOM 0 HG23 THR A 106 -21.977 20.894 -9.677 1.00 0.00 H new ATOM 1680 N ILE A 107 -22.420 22.383 -7.630 1.00 0.00 N ATOM 1681 CA ILE A 107 -23.828 22.706 -7.332 1.00 0.00 C ATOM 1682 C ILE A 107 -23.928 23.848 -6.296 1.00 0.00 C ATOM 1683 O ILE A 107 -24.670 24.816 -6.479 1.00 0.00 O ATOM 1684 CB ILE A 107 -24.566 21.429 -6.770 1.00 0.00 C ATOM 1685 CG1 ILE A 107 -24.391 20.203 -7.731 1.00 0.00 C ATOM 1686 CG2 ILE A 107 -26.061 21.713 -6.496 1.00 0.00 C ATOM 1687 CD1 ILE A 107 -24.832 18.875 -7.135 1.00 0.00 C ATOM 0 H ILE A 107 -22.170 21.424 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 107 -24.302 23.031 -8.258 1.00 0.00 H new ATOM 0 HB ILE A 107 -24.100 21.176 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -24.960 20.386 -8.642 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -23.342 20.129 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -26.538 20.812 -6.110 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -26.151 22.514 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -26.550 22.014 -7.423 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -24.678 18.080 -7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -24.246 18.665 -6.240 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -25.889 18.927 -6.873 1.00 0.00 H new ATOM 1699 N THR A 108 -23.163 23.712 -5.214 1.00 0.00 N ATOM 1700 CA THR A 108 -23.239 24.618 -4.064 1.00 0.00 C ATOM 1701 C THR A 108 -22.196 25.753 -4.146 1.00 0.00 C ATOM 1702 O THR A 108 -22.310 26.753 -3.423 1.00 0.00 O ATOM 1703 CB THR A 108 -23.094 23.809 -2.735 1.00 0.00 C ATOM 1704 OG1 THR A 108 -23.369 24.648 -1.600 1.00 0.00 O ATOM 1705 CG2 THR A 108 -21.710 23.165 -2.580 1.00 0.00 C ATOM 0 H THR A 108 -22.471 22.970 -5.108 1.00 0.00 H new ATOM 0 HA THR A 108 -24.218 25.096 -4.079 1.00 0.00 H new ATOM 0 HB THR A 108 -23.826 23.002 -2.782 1.00 0.00 H new ATOM 0 HG1 THR A 108 -23.109 25.570 -1.804 1.00 0.00 H new ATOM 0 HG21 THR A 108 -21.667 22.616 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 108 -21.533 22.479 -3.408 1.00 0.00 H new ATOM 0 HG23 THR A 108 -20.945 23.942 -2.582 1.00 0.00 H new ATOM 1713 N GLN A 109 -21.189 25.608 -5.034 1.00 0.00 N ATOM 1714 CA GLN A 109 -20.112 26.620 -5.201 1.00 0.00 C ATOM 1715 C GLN A 109 -20.642 27.929 -5.812 1.00 0.00 C ATOM 1716 O GLN A 109 -21.573 27.910 -6.625 1.00 0.00 O ATOM 1717 CB GLN A 109 -18.958 26.088 -6.099 1.00 0.00 C ATOM 1718 CG GLN A 109 -18.034 25.072 -5.428 1.00 0.00 C ATOM 1719 CD GLN A 109 -16.894 24.600 -6.343 1.00 0.00 C ATOM 1720 OE1 GLN A 109 -17.041 23.626 -7.077 1.00 0.00 O ATOM 1721 NE2 GLN A 109 -15.752 25.275 -6.295 1.00 0.00 N ATOM 0 H GLN A 109 -21.095 24.800 -5.649 1.00 0.00 H new ATOM 0 HA GLN A 109 -19.732 26.820 -4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -19.391 25.631 -6.989 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -18.359 26.935 -6.435 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -17.609 25.515 -4.527 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -18.620 24.209 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -15.661 26.080 -5.675 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -14.966 24.989 -6.878 1.00 0.00 H new ATOM 1730 N ASN A 110 -20.015 29.059 -5.400 1.00 0.00 N ATOM 1731 CA ASN A 110 -20.158 30.373 -6.057 1.00 0.00 C ATOM 1732 C ASN A 110 -19.659 30.236 -7.498 1.00 0.00 C ATOM 1733 O ASN A 110 -18.543 29.741 -7.706 1.00 0.00 O ATOM 1734 CB ASN A 110 -19.314 31.459 -5.316 1.00 0.00 C ATOM 1735 CG ASN A 110 -19.650 31.664 -3.831 1.00 0.00 C ATOM 1736 OD1 ASN A 110 -18.766 31.932 -3.017 1.00 0.00 O ATOM 1737 ND2 ASN A 110 -20.919 31.590 -3.469 1.00 0.00 N ATOM 0 H ASN A 110 -19.391 29.079 -4.594 1.00 0.00 H new ATOM 0 HA ASN A 110 -21.203 30.682 -6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -18.260 31.192 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -19.444 32.409 -5.834 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -21.183 31.757 -2.498 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -21.634 31.366 -4.161 1.00 0.00 H new ATOM 1744 N LYS A 111 -20.484 30.667 -8.464 1.00 0.00 N ATOM 1745 CA LYS A 111 -20.258 30.416 -9.894 1.00 0.00 C ATOM 1746 C LYS A 111 -20.194 28.900 -10.162 1.00 0.00 C ATOM 1747 O LYS A 111 -19.119 28.283 -10.116 1.00 0.00 O ATOM 1748 CB LYS A 111 -18.993 31.140 -10.436 1.00 0.00 C ATOM 1749 CG LYS A 111 -19.067 32.682 -10.430 1.00 0.00 C ATOM 1750 CD LYS A 111 -20.239 33.218 -11.289 1.00 0.00 C ATOM 1751 CE LYS A 111 -20.203 34.745 -11.464 1.00 0.00 C ATOM 1752 NZ LYS A 111 -20.259 35.465 -10.163 1.00 0.00 N ATOM 0 H LYS A 111 -21.331 31.202 -8.273 1.00 0.00 H new ATOM 0 HA LYS A 111 -21.104 30.835 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -18.134 30.831 -9.841 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -18.811 30.805 -11.457 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -19.180 33.034 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -18.128 33.090 -10.805 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -20.210 32.744 -12.270 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -21.183 32.933 -10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -19.293 35.026 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -21.042 35.057 -12.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -20.266 36.491 -10.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -21.123 35.193 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -19.427 35.215 -9.592 1.00 0.00 H new ATOM 1766 N LYS A 112 -21.367 28.318 -10.418 1.00 0.00 N ATOM 1767 CA LYS A 112 -21.527 26.866 -10.571 1.00 0.00 C ATOM 1768 C LYS A 112 -20.871 26.396 -11.879 1.00 0.00 C ATOM 1769 O LYS A 112 -19.992 25.527 -11.872 1.00 0.00 O ATOM 1770 CB LYS A 112 -23.025 26.477 -10.597 1.00 0.00 C ATOM 1771 CG LYS A 112 -23.842 26.962 -9.393 1.00 0.00 C ATOM 1772 CD LYS A 112 -25.309 26.483 -9.467 1.00 0.00 C ATOM 1773 CE LYS A 112 -26.156 26.903 -8.257 1.00 0.00 C ATOM 1774 NZ LYS A 112 -26.290 28.370 -8.127 1.00 0.00 N ATOM 0 H LYS A 112 -22.237 28.840 -10.526 1.00 0.00 H new ATOM 0 HA LYS A 112 -21.045 26.385 -9.720 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -23.473 26.878 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -23.102 25.391 -10.656 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -23.386 26.597 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -23.816 28.051 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -25.766 26.878 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -25.324 25.396 -9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -27.148 26.459 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -25.706 26.503 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -26.871 28.593 -7.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -25.348 28.796 -8.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -26.745 28.754 -8.980 1.00 0.00 H new ATOM 1788 N ASP A 113 -21.330 27.024 -12.983 1.00 0.00 N ATOM 1789 CA ASP A 113 -20.970 26.676 -14.376 1.00 0.00 C ATOM 1790 C ASP A 113 -21.573 25.309 -14.734 1.00 0.00 C ATOM 1791 O ASP A 113 -22.625 25.234 -15.390 1.00 0.00 O ATOM 1792 CB ASP A 113 -19.421 26.716 -14.643 1.00 0.00 C ATOM 1793 CG ASP A 113 -18.808 28.123 -14.541 1.00 0.00 C ATOM 1794 OD1 ASP A 113 -18.794 28.703 -13.432 1.00 0.00 O ATOM 1795 OD2 ASP A 113 -18.331 28.661 -15.569 1.00 0.00 O ATOM 0 H ASP A 113 -21.979 27.809 -12.929 1.00 0.00 H new ATOM 0 HA ASP A 113 -21.394 27.439 -15.029 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -18.922 26.060 -13.930 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -19.223 26.315 -15.637 1.00 0.00 H new ATOM 1800 N GLY A 114 -20.921 24.234 -14.252 1.00 0.00 N ATOM 1801 CA GLY A 114 -21.388 22.862 -14.447 1.00 0.00 C ATOM 1802 C GLY A 114 -21.339 22.402 -15.895 1.00 0.00 C ATOM 1803 O GLY A 114 -22.043 21.454 -16.269 1.00 0.00 O ATOM 0 H GLY A 114 -20.055 24.300 -13.717 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -20.780 22.191 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -22.412 22.781 -14.083 1.00 0.00 H new ATOM 1807 N LEU A 115 -20.496 23.078 -16.703 1.00 0.00 N ATOM 1808 CA LEU A 115 -20.295 22.772 -18.132 1.00 0.00 C ATOM 1809 C LEU A 115 -19.636 21.395 -18.272 1.00 0.00 C ATOM 1810 O LEU A 115 -19.985 20.601 -19.149 1.00 0.00 O ATOM 1811 CB LEU A 115 -19.424 23.882 -18.784 1.00 0.00 C ATOM 1812 CG LEU A 115 -19.994 25.334 -18.686 1.00 0.00 C ATOM 1813 CD1 LEU A 115 -19.020 26.371 -19.287 1.00 0.00 C ATOM 1814 CD2 LEU A 115 -21.392 25.437 -19.340 1.00 0.00 C ATOM 0 H LEU A 115 -19.930 23.861 -16.376 1.00 0.00 H new ATOM 0 HA LEU A 115 -21.255 22.746 -18.647 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -18.439 23.866 -18.318 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -19.283 23.637 -19.837 1.00 0.00 H new ATOM 0 HG LEU A 115 -20.105 25.565 -17.627 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -19.451 27.368 -19.200 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -18.074 26.337 -18.747 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -18.847 26.141 -20.338 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -21.759 26.460 -19.254 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -21.322 25.163 -20.393 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -22.081 24.760 -18.834 1.00 0.00 H new ATOM 1826 N GLU A 116 -18.658 21.158 -17.392 1.00 0.00 N ATOM 1827 CA GLU A 116 -18.107 19.827 -17.111 1.00 0.00 C ATOM 1828 C GLU A 116 -18.491 19.450 -15.670 1.00 0.00 C ATOM 1829 O GLU A 116 -18.774 20.331 -14.838 1.00 0.00 O ATOM 1830 CB GLU A 116 -16.555 19.792 -17.273 1.00 0.00 C ATOM 1831 CG GLU A 116 -16.018 19.957 -18.716 1.00 0.00 C ATOM 1832 CD GLU A 116 -16.185 21.374 -19.299 1.00 0.00 C ATOM 1833 OE1 GLU A 116 -15.542 22.308 -18.776 1.00 0.00 O ATOM 1834 OE2 GLU A 116 -16.947 21.560 -20.279 1.00 0.00 O ATOM 0 H GLU A 116 -18.219 21.898 -16.845 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.519 19.115 -17.826 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.127 20.582 -16.655 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.190 18.844 -16.877 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -14.960 19.694 -18.729 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.531 19.247 -19.365 1.00 0.00 H new ATOM 1841 N HIS A 117 -18.520 18.144 -15.384 1.00 0.00 N ATOM 1842 CA HIS A 117 -18.657 17.604 -14.012 1.00 0.00 C ATOM 1843 C HIS A 117 -17.534 16.587 -13.767 1.00 0.00 C ATOM 1844 O HIS A 117 -16.897 16.142 -14.734 1.00 0.00 O ATOM 1845 CB HIS A 117 -20.054 16.960 -13.794 1.00 0.00 C ATOM 1846 CG HIS A 117 -21.201 17.939 -13.903 1.00 0.00 C ATOM 1847 ND1 HIS A 117 -22.297 17.734 -14.708 1.00 0.00 N ATOM 1848 CD2 HIS A 117 -21.413 19.133 -13.293 1.00 0.00 C ATOM 1849 CE1 HIS A 117 -23.129 18.750 -14.593 1.00 0.00 C ATOM 1850 NE2 HIS A 117 -22.617 19.613 -13.740 1.00 0.00 N ATOM 0 H HIS A 117 -18.449 17.420 -16.099 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.571 18.420 -13.294 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -20.196 16.166 -14.527 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -20.079 16.494 -12.809 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -20.755 19.616 -12.586 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -24.071 18.857 -15.111 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.046 20.494 -13.458 1.00 0.00 H new ATOM 1859 N HIS A 118 -17.306 16.227 -12.483 1.00 0.00 N ATOM 1860 CA HIS A 118 -16.192 15.350 -12.057 1.00 0.00 C ATOM 1861 C HIS A 118 -14.834 16.022 -12.354 1.00 0.00 C ATOM 1862 O HIS A 118 -14.382 16.027 -13.505 1.00 0.00 O ATOM 1863 CB HIS A 118 -16.288 13.943 -12.731 1.00 0.00 C ATOM 1864 CG HIS A 118 -15.151 13.009 -12.410 1.00 0.00 C ATOM 1865 ND1 HIS A 118 -14.091 12.790 -13.271 1.00 0.00 N ATOM 1866 CD2 HIS A 118 -14.924 12.213 -11.337 1.00 0.00 C ATOM 1867 CE1 HIS A 118 -13.270 11.912 -12.742 1.00 0.00 C ATOM 1868 NE2 HIS A 118 -13.746 11.545 -11.574 1.00 0.00 N ATOM 0 H HIS A 118 -17.893 16.539 -11.709 1.00 0.00 H new ATOM 0 HA HIS A 118 -16.270 15.199 -10.980 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -17.223 13.473 -12.426 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -16.336 14.076 -13.812 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -15.550 12.121 -10.462 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.357 11.552 -13.192 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.311 10.872 -10.943 1.00 0.00 H new ATOM 1877 N HIS A 119 -14.204 16.607 -11.317 1.00 0.00 N ATOM 1878 CA HIS A 119 -12.889 17.285 -11.438 1.00 0.00 C ATOM 1879 C HIS A 119 -11.831 16.321 -12.027 1.00 0.00 C ATOM 1880 O HIS A 119 -11.718 15.180 -11.572 1.00 0.00 O ATOM 1881 CB HIS A 119 -12.428 17.860 -10.066 1.00 0.00 C ATOM 1882 CG HIS A 119 -12.163 16.851 -8.966 1.00 0.00 C ATOM 1883 ND1 HIS A 119 -11.187 17.027 -8.013 1.00 0.00 N ATOM 1884 CD2 HIS A 119 -12.776 15.676 -8.649 1.00 0.00 C ATOM 1885 CE1 HIS A 119 -11.207 16.017 -7.174 1.00 0.00 C ATOM 1886 NE2 HIS A 119 -12.158 15.188 -7.534 1.00 0.00 N ATOM 0 H HIS A 119 -14.587 16.626 -10.372 1.00 0.00 H new ATOM 0 HA HIS A 119 -13.000 18.124 -12.125 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.517 18.437 -10.226 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -13.189 18.556 -9.714 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -10.547 17.820 -7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -13.597 15.217 -9.180 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -10.549 15.890 -6.327 1.00 0.00 H new ATOM 1895 N HIS A 120 -11.104 16.783 -13.061 1.00 0.00 N ATOM 1896 CA HIS A 120 -10.134 15.955 -13.811 1.00 0.00 C ATOM 1897 C HIS A 120 -8.977 15.493 -12.906 1.00 0.00 C ATOM 1898 O HIS A 120 -8.738 14.294 -12.748 1.00 0.00 O ATOM 1899 CB HIS A 120 -9.566 16.733 -15.029 1.00 0.00 C ATOM 1900 CG HIS A 120 -10.589 17.193 -16.032 1.00 0.00 C ATOM 1901 ND1 HIS A 120 -10.905 18.521 -16.227 1.00 0.00 N ATOM 1902 CD2 HIS A 120 -11.311 16.504 -16.950 1.00 0.00 C ATOM 1903 CE1 HIS A 120 -11.767 18.628 -17.209 1.00 0.00 C ATOM 1904 NE2 HIS A 120 -12.028 17.424 -17.667 1.00 0.00 N ATOM 0 H HIS A 120 -11.171 17.742 -13.402 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.668 15.075 -14.170 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.024 17.604 -14.662 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.841 16.098 -15.539 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.319 15.433 -17.089 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -12.191 19.550 -17.579 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -12.664 17.209 -18.435 1.00 0.00 H new ATOM 1913 N HIS A 121 -8.278 16.464 -12.305 1.00 0.00 N ATOM 1914 CA HIS A 121 -7.096 16.204 -11.455 1.00 0.00 C ATOM 1915 C HIS A 121 -6.916 17.311 -10.402 1.00 0.00 C ATOM 1916 O HIS A 121 -5.937 17.300 -9.646 1.00 0.00 O ATOM 1917 CB HIS A 121 -5.818 16.053 -12.332 1.00 0.00 C ATOM 1918 CG HIS A 121 -5.425 17.288 -13.113 1.00 0.00 C ATOM 1919 ND1 HIS A 121 -4.203 17.912 -12.977 1.00 0.00 N ATOM 1920 CD2 HIS A 121 -6.085 17.989 -14.075 1.00 0.00 C ATOM 1921 CE1 HIS A 121 -4.133 18.934 -13.810 1.00 0.00 C ATOM 1922 NE2 HIS A 121 -5.259 19.001 -14.487 1.00 0.00 N ATOM 0 H HIS A 121 -8.511 17.453 -12.391 1.00 0.00 H new ATOM 0 HA HIS A 121 -7.258 15.267 -10.923 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -4.986 15.770 -11.688 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.972 15.233 -13.033 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -7.079 17.785 -14.446 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -3.292 19.603 -13.918 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -5.481 19.694 -15.202 1.00 0.00 H new ATOM 1931 N HIS A 122 -7.863 18.266 -10.359 1.00 0.00 N ATOM 1932 CA HIS A 122 -7.861 19.363 -9.384 1.00 0.00 C ATOM 1933 C HIS A 122 -9.301 19.883 -9.217 1.00 0.00 C ATOM 1934 O HIS A 122 -9.867 19.736 -8.130 1.00 0.00 O ATOM 1935 CB HIS A 122 -6.911 20.507 -9.823 1.00 0.00 C ATOM 1936 CG HIS A 122 -6.805 21.634 -8.820 1.00 0.00 C ATOM 1937 ND1 HIS A 122 -5.956 21.589 -7.737 1.00 0.00 N ATOM 1938 CD2 HIS A 122 -7.454 22.829 -8.729 1.00 0.00 C ATOM 1939 CE1 HIS A 122 -6.087 22.689 -7.027 1.00 0.00 C ATOM 1940 NE2 HIS A 122 -6.987 23.458 -7.601 1.00 0.00 N ATOM 1941 OXT HIS A 122 -9.867 20.410 -10.195 1.00 0.00 O ATOM 0 H HIS A 122 -8.653 18.295 -11.004 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.492 18.989 -8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -5.917 20.094 -9.997 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.260 20.911 -10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -8.196 23.210 -9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -5.545 22.922 -6.122 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -7.289 24.372 -7.263 1.00 0.00 H new TER 1950 HIS A 122