USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 825 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 72 THR OG1 : rot 180:sc= 0.42 USER MOD Set 1.2: A 105 ASN : amide:sc= 0.197 K(o=0.62,f=-3.5!) USER MOD Set 2.1: A 57 THR OG1 : rot -95:sc= 0.448 USER MOD Set 2.2: A 84 THR OG1 : rot 180:sc= 0.517 USER MOD Set 3.1: A 37 GLN : amide:sc= -0.765 K(o=0.12,f=-3.8!) USER MOD Set 3.2: A 87 SER OG : rot 168:sc= 0.882 USER MOD Set 4.1: A 13 GLN : amide:sc= 0.608 K(o=0.35,f=-0.71) USER MOD Set 4.2: A 95 ASN : amide:sc= -0.258 X(o=0.35,f=0.065) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -166:sc= -0.0103 (180deg=-0.155) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.314 K(o=-0.31,f=-4.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc=-0.00965 X(o=-0.0096,f=-0.0076) USER MOD Single : A 17 TYR OH : rot -165:sc= -1.72! USER MOD Single : A 19 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.407 F(o=-2!,f=-0.41) USER MOD Single : A 29 HIS : no HD1:sc= -0.0305 X(o=-0.03,f=-0.00051) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -79:sc= 0.325 USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0.684 (180deg=0.347) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 155:sc= -0.861 (180deg=-1.84) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -131:sc= 0.694 (180deg=-0.00255) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.71! C(o=-1.7!,f=-3.5!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -123:sc= 0.117 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -172:sc=-0.00414 (180deg=-0.088) USER MOD Single : A 77 MET CE :methyl -153:sc= -0.224 (180deg=-0.692) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -2.29! X(o=-2.3!,f=-2.8) USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -0.558 (180deg=-2.41!) USER MOD Single : A 94 GLN :FLIP amide:sc= -0.637 F(o=-1.9!,f=-0.64) USER MOD Single : A 99 THR OG1 : rot -3:sc= -0.111 USER MOD Single : A 102 TYR OH : rot -35:sc= -0.741 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.715 -30.143 0.853 1.00 0.00 N ATOM 2 CA MET A 1 17.361 -29.847 1.363 1.00 0.00 C ATOM 3 C MET A 1 17.114 -28.332 1.363 1.00 0.00 C ATOM 4 O MET A 1 17.800 -27.576 2.063 1.00 0.00 O ATOM 5 CB MET A 1 17.158 -30.427 2.788 1.00 0.00 C ATOM 6 CG MET A 1 15.705 -30.355 3.292 1.00 0.00 C ATOM 7 SD MET A 1 15.487 -31.042 4.951 1.00 0.00 S ATOM 8 CE MET A 1 13.727 -30.780 5.225 1.00 0.00 C ATOM 0 H1 MET A 1 18.871 -31.171 0.858 1.00 0.00 H new ATOM 0 H2 MET A 1 18.806 -29.783 -0.119 1.00 0.00 H new ATOM 0 H3 MET A 1 19.423 -29.683 1.460 1.00 0.00 H new ATOM 0 HA MET A 1 16.639 -30.324 0.701 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.483 -31.467 2.795 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.800 -29.887 3.484 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.379 -29.315 3.291 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.060 -30.892 2.597 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.452 -31.156 6.210 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.505 -29.714 5.169 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.157 -31.310 4.462 1.00 0.00 H new ATOM 20 N ILE A 2 16.140 -27.906 0.559 1.00 0.00 N ATOM 21 CA ILE A 2 15.707 -26.505 0.445 1.00 0.00 C ATOM 22 C ILE A 2 14.357 -26.337 1.134 1.00 0.00 C ATOM 23 O ILE A 2 13.483 -27.205 1.015 1.00 0.00 O ATOM 24 CB ILE A 2 15.593 -26.079 -1.073 1.00 0.00 C ATOM 25 CG1 ILE A 2 16.984 -26.172 -1.777 1.00 0.00 C ATOM 26 CG2 ILE A 2 14.982 -24.659 -1.233 1.00 0.00 C ATOM 27 CD1 ILE A 2 18.033 -25.205 -1.251 1.00 0.00 C ATOM 0 H ILE A 2 15.615 -28.537 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 2 16.447 -25.866 0.926 1.00 0.00 H new ATOM 0 HB ILE A 2 14.912 -26.778 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.362 -27.189 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.848 -25.993 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 2 14.922 -24.406 -2.292 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.983 -24.642 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.613 -23.932 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.964 -25.344 -1.800 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.683 -24.181 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 2 18.205 -25.396 -0.192 1.00 0.00 H new ATOM 39 N GLU A 3 14.194 -25.225 1.866 1.00 0.00 N ATOM 40 CA GLU A 3 12.893 -24.816 2.409 1.00 0.00 C ATOM 41 C GLU A 3 12.502 -23.441 1.829 1.00 0.00 C ATOM 42 O GLU A 3 13.384 -22.587 1.623 1.00 0.00 O ATOM 43 CB GLU A 3 12.907 -24.792 3.964 1.00 0.00 C ATOM 44 CG GLU A 3 13.894 -23.795 4.601 1.00 0.00 C ATOM 45 CD GLU A 3 13.723 -23.643 6.122 1.00 0.00 C ATOM 46 OE1 GLU A 3 13.740 -24.664 6.835 1.00 0.00 O ATOM 47 OE2 GLU A 3 13.606 -22.499 6.618 1.00 0.00 O ATOM 0 H GLU A 3 14.957 -24.588 2.097 1.00 0.00 H new ATOM 0 HA GLU A 3 12.143 -25.550 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.902 -24.558 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.145 -25.793 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 3 14.913 -24.120 4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.766 -22.820 4.131 1.00 0.00 H new ATOM 54 N PRO A 4 11.184 -23.228 1.504 1.00 0.00 N ATOM 55 CA PRO A 4 10.675 -21.902 1.110 1.00 0.00 C ATOM 56 C PRO A 4 10.710 -20.932 2.308 1.00 0.00 C ATOM 57 O PRO A 4 10.217 -21.252 3.391 1.00 0.00 O ATOM 58 CB PRO A 4 9.218 -22.193 0.650 1.00 0.00 C ATOM 59 CG PRO A 4 8.829 -23.451 1.362 1.00 0.00 C ATOM 60 CD PRO A 4 10.103 -24.264 1.456 1.00 0.00 C ATOM 0 HA PRO A 4 11.268 -21.425 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.551 -21.371 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.164 -22.319 -0.431 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.426 -23.235 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.057 -23.991 0.814 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.112 -24.893 2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 4 10.220 -24.925 0.597 1.00 0.00 H new ATOM 68 N ILE A 5 11.311 -19.767 2.111 1.00 0.00 N ATOM 69 CA ILE A 5 11.466 -18.738 3.141 1.00 0.00 C ATOM 70 C ILE A 5 11.038 -17.439 2.514 1.00 0.00 C ATOM 71 O ILE A 5 11.356 -17.183 1.366 1.00 0.00 O ATOM 72 CB ILE A 5 12.946 -18.612 3.659 1.00 0.00 C ATOM 73 CG1 ILE A 5 13.943 -18.541 2.463 1.00 0.00 C ATOM 74 CG2 ILE A 5 13.287 -19.767 4.612 1.00 0.00 C ATOM 75 CD1 ILE A 5 15.334 -18.081 2.805 1.00 0.00 C ATOM 0 H ILE A 5 11.715 -19.501 1.213 1.00 0.00 H new ATOM 0 HA ILE A 5 10.862 -19.002 4.009 1.00 0.00 H new ATOM 0 HB ILE A 5 13.039 -17.683 4.221 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.008 -19.529 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.532 -17.869 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 5 14.315 -19.661 4.959 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.611 -19.745 5.467 1.00 0.00 H new ATOM 0 HG23 ILE A 5 13.177 -20.716 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 5 15.945 -18.068 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 5 15.292 -17.078 3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 5 15.775 -18.764 3.532 1.00 0.00 H new ATOM 87 N LYS A 6 10.284 -16.633 3.233 1.00 0.00 N ATOM 88 CA LYS A 6 9.641 -15.447 2.658 1.00 0.00 C ATOM 89 C LYS A 6 9.835 -14.222 3.563 1.00 0.00 C ATOM 90 O LYS A 6 9.774 -14.341 4.786 1.00 0.00 O ATOM 91 CB LYS A 6 8.122 -15.700 2.454 1.00 0.00 C ATOM 92 CG LYS A 6 7.671 -16.546 1.247 1.00 0.00 C ATOM 93 CD LYS A 6 7.991 -18.059 1.362 1.00 0.00 C ATOM 94 CE LYS A 6 7.169 -18.929 0.393 1.00 0.00 C ATOM 95 NZ LYS A 6 5.727 -18.941 0.744 1.00 0.00 N ATOM 0 H LYS A 6 10.094 -16.771 4.226 1.00 0.00 H new ATOM 0 HA LYS A 6 10.109 -15.250 1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.742 -16.181 3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.632 -14.729 2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.596 -16.425 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.147 -16.155 0.348 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.052 -18.215 1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.802 -18.387 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.292 -18.555 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.554 -19.949 0.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.251 -19.709 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.620 -19.092 1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.298 -18.031 0.482 1.00 0.00 H new ATOM 109 N ARG A 7 10.071 -13.052 2.932 1.00 0.00 N ATOM 110 CA ARG A 7 10.048 -11.731 3.594 1.00 0.00 C ATOM 111 C ARG A 7 8.717 -11.026 3.265 1.00 0.00 C ATOM 112 O ARG A 7 8.133 -11.262 2.200 1.00 0.00 O ATOM 113 CB ARG A 7 11.244 -10.846 3.132 1.00 0.00 C ATOM 114 CG ARG A 7 12.641 -11.414 3.442 1.00 0.00 C ATOM 115 CD ARG A 7 13.786 -10.391 3.236 1.00 0.00 C ATOM 116 NE ARG A 7 13.753 -9.707 1.926 1.00 0.00 N ATOM 117 CZ ARG A 7 14.832 -9.212 1.293 1.00 0.00 C ATOM 118 NH1 ARG A 7 16.051 -9.339 1.818 1.00 0.00 N ATOM 119 NH2 ARG A 7 14.679 -8.523 0.168 1.00 0.00 N ATOM 0 H ARG A 7 10.285 -12.998 1.936 1.00 0.00 H new ATOM 0 HA ARG A 7 10.138 -11.879 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.164 -10.689 2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.155 -9.868 3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.660 -11.766 4.474 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.821 -12.281 2.806 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.737 -9.642 4.027 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.742 -10.904 3.342 1.00 0.00 H new ATOM 0 HE ARG A 7 12.847 -9.603 1.469 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.175 -9.816 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.860 -8.959 1.327 1.00 0.00 H new ATOM 0 HH21 ARG A 7 13.745 -8.370 -0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.495 -8.146 -0.314 1.00 0.00 H new ATOM 133 N THR A 8 8.255 -10.157 4.176 1.00 0.00 N ATOM 134 CA THR A 8 6.979 -9.439 4.048 1.00 0.00 C ATOM 135 C THR A 8 7.207 -7.920 4.129 1.00 0.00 C ATOM 136 O THR A 8 7.559 -7.399 5.192 1.00 0.00 O ATOM 137 CB THR A 8 5.976 -9.889 5.168 1.00 0.00 C ATOM 138 OG1 THR A 8 5.741 -11.299 5.053 1.00 0.00 O ATOM 139 CG2 THR A 8 4.629 -9.134 5.086 1.00 0.00 C ATOM 0 H THR A 8 8.762 -9.931 5.031 1.00 0.00 H new ATOM 0 HA THR A 8 6.549 -9.681 3.076 1.00 0.00 H new ATOM 0 HB THR A 8 6.427 -9.652 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.116 -11.585 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.969 -9.480 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.804 -8.064 5.200 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.163 -9.325 4.119 1.00 0.00 H new ATOM 147 N GLN A 9 7.043 -7.235 2.993 1.00 0.00 N ATOM 148 CA GLN A 9 6.987 -5.772 2.944 1.00 0.00 C ATOM 149 C GLN A 9 5.586 -5.345 2.552 1.00 0.00 C ATOM 150 O GLN A 9 5.075 -5.784 1.531 1.00 0.00 O ATOM 151 CB GLN A 9 8.004 -5.205 1.934 1.00 0.00 C ATOM 152 CG GLN A 9 7.923 -3.676 1.668 1.00 0.00 C ATOM 153 CD GLN A 9 8.161 -2.782 2.910 1.00 0.00 C ATOM 154 OE1 GLN A 9 7.739 -3.078 4.030 1.00 0.00 O ATOM 155 NE2 GLN A 9 8.916 -1.720 2.745 1.00 0.00 N ATOM 0 H GLN A 9 6.945 -7.681 2.081 1.00 0.00 H new ATOM 0 HA GLN A 9 7.240 -5.381 3.930 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.008 -5.439 2.290 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.873 -5.726 0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.657 -3.416 0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.940 -3.446 1.256 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.262 -1.480 1.816 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.156 -1.135 3.546 1.00 0.00 H new ATOM 164 N VAL A 10 4.974 -4.486 3.364 1.00 0.00 N ATOM 165 CA VAL A 10 3.656 -3.939 3.072 1.00 0.00 C ATOM 166 C VAL A 10 3.797 -2.484 2.609 1.00 0.00 C ATOM 167 O VAL A 10 4.677 -1.755 3.087 1.00 0.00 O ATOM 168 CB VAL A 10 2.690 -4.056 4.310 1.00 0.00 C ATOM 169 CG1 VAL A 10 2.546 -5.535 4.751 1.00 0.00 C ATOM 170 CG2 VAL A 10 3.136 -3.159 5.492 1.00 0.00 C ATOM 0 H VAL A 10 5.378 -4.152 4.239 1.00 0.00 H new ATOM 0 HA VAL A 10 3.207 -4.524 2.269 1.00 0.00 H new ATOM 0 HB VAL A 10 1.712 -3.692 3.994 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.875 -5.596 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.138 -6.122 3.928 1.00 0.00 H new ATOM 0 HG13 VAL A 10 3.524 -5.929 5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.438 -3.275 6.321 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.135 -3.453 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.150 -2.117 5.173 1.00 0.00 H new ATOM 180 N VAL A 11 2.982 -2.093 1.624 1.00 0.00 N ATOM 181 CA VAL A 11 2.827 -0.694 1.214 1.00 0.00 C ATOM 182 C VAL A 11 1.546 -0.166 1.831 1.00 0.00 C ATOM 183 O VAL A 11 0.445 -0.508 1.395 1.00 0.00 O ATOM 184 CB VAL A 11 2.818 -0.546 -0.351 1.00 0.00 C ATOM 185 CG1 VAL A 11 2.351 0.854 -0.812 1.00 0.00 C ATOM 186 CG2 VAL A 11 4.225 -0.850 -0.892 1.00 0.00 C ATOM 0 H VAL A 11 2.408 -2.742 1.086 1.00 0.00 H new ATOM 0 HA VAL A 11 3.677 -0.110 1.567 1.00 0.00 H new ATOM 0 HB VAL A 11 2.099 -1.260 -0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.364 0.902 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.338 1.036 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.021 1.613 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.227 -0.749 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.940 -0.149 -0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.507 -1.868 -0.621 1.00 0.00 H new ATOM 196 N THR A 12 1.713 0.657 2.859 1.00 0.00 N ATOM 197 CA THR A 12 0.630 1.111 3.712 1.00 0.00 C ATOM 198 C THR A 12 0.170 2.514 3.281 1.00 0.00 C ATOM 199 O THR A 12 0.888 3.506 3.465 1.00 0.00 O ATOM 200 CB THR A 12 1.113 1.096 5.196 1.00 0.00 C ATOM 201 OG1 THR A 12 1.625 -0.206 5.524 1.00 0.00 O ATOM 202 CG2 THR A 12 -0.009 1.435 6.175 1.00 0.00 C ATOM 0 H THR A 12 2.623 1.033 3.125 1.00 0.00 H new ATOM 0 HA THR A 12 -0.226 0.443 3.618 1.00 0.00 H new ATOM 0 HB THR A 12 1.889 1.856 5.288 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.929 -0.213 6.456 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.378 1.411 7.194 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.394 2.431 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.812 0.705 6.075 1.00 0.00 H new ATOM 210 N GLN A 13 -0.999 2.571 2.649 1.00 0.00 N ATOM 211 CA GLN A 13 -1.656 3.817 2.270 1.00 0.00 C ATOM 212 C GLN A 13 -2.622 4.212 3.387 1.00 0.00 C ATOM 213 O GLN A 13 -3.747 3.703 3.473 1.00 0.00 O ATOM 214 CB GLN A 13 -2.381 3.620 0.916 1.00 0.00 C ATOM 215 CG GLN A 13 -3.202 4.819 0.402 1.00 0.00 C ATOM 216 CD GLN A 13 -2.380 6.096 0.254 1.00 0.00 C ATOM 217 OE1 GLN A 13 -1.763 6.322 -0.781 1.00 0.00 O ATOM 218 NE2 GLN A 13 -2.388 6.942 1.274 1.00 0.00 N ATOM 0 H GLN A 13 -1.524 1.739 2.382 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.933 4.622 2.141 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.636 3.367 0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.047 2.762 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.640 4.563 -0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.029 5.005 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.914 6.718 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.868 7.818 1.214 1.00 0.00 H new ATOM 227 N THR A 14 -2.143 5.083 4.276 1.00 0.00 N ATOM 228 CA THR A 14 -2.949 5.636 5.357 1.00 0.00 C ATOM 229 C THR A 14 -3.701 6.839 4.798 1.00 0.00 C ATOM 230 O THR A 14 -3.136 7.607 4.024 1.00 0.00 O ATOM 231 CB THR A 14 -2.032 6.042 6.548 1.00 0.00 C ATOM 232 OG1 THR A 14 -1.295 4.885 6.981 1.00 0.00 O ATOM 233 CG2 THR A 14 -2.808 6.638 7.727 1.00 0.00 C ATOM 0 H THR A 14 -1.182 5.424 4.264 1.00 0.00 H new ATOM 0 HA THR A 14 -3.660 4.901 5.734 1.00 0.00 H new ATOM 0 HB THR A 14 -1.358 6.823 6.195 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.713 5.130 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.113 6.901 8.525 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.338 7.532 7.399 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.526 5.906 8.098 1.00 0.00 H new ATOM 241 N ILE A 15 -4.992 6.971 5.116 1.00 0.00 N ATOM 242 CA ILE A 15 -5.828 8.054 4.573 1.00 0.00 C ATOM 243 C ILE A 15 -6.716 8.657 5.643 1.00 0.00 C ATOM 244 O ILE A 15 -7.347 7.953 6.449 1.00 0.00 O ATOM 245 CB ILE A 15 -6.678 7.586 3.324 1.00 0.00 C ATOM 246 CG1 ILE A 15 -5.728 7.333 2.117 1.00 0.00 C ATOM 247 CG2 ILE A 15 -7.785 8.611 2.939 1.00 0.00 C ATOM 248 CD1 ILE A 15 -6.399 6.859 0.873 1.00 0.00 C ATOM 0 H ILE A 15 -5.485 6.341 5.748 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.148 8.831 4.224 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.188 6.662 3.596 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.195 8.257 1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.980 6.597 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.339 8.241 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.467 8.742 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.325 9.568 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.654 6.712 0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.908 5.916 1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.126 7.602 0.546 1.00 0.00 H new ATOM 260 N HIS A 16 -6.746 9.994 5.639 1.00 0.00 N ATOM 261 CA HIS A 16 -7.648 10.773 6.470 1.00 0.00 C ATOM 262 C HIS A 16 -8.786 11.298 5.603 1.00 0.00 C ATOM 263 O HIS A 16 -8.553 12.022 4.638 1.00 0.00 O ATOM 264 CB HIS A 16 -6.891 11.931 7.169 1.00 0.00 C ATOM 265 CG HIS A 16 -5.925 11.475 8.239 1.00 0.00 C ATOM 266 ND1 HIS A 16 -5.204 12.346 9.019 1.00 0.00 N ATOM 267 CD2 HIS A 16 -5.550 10.229 8.638 1.00 0.00 C ATOM 268 CE1 HIS A 16 -4.435 11.664 9.844 1.00 0.00 C ATOM 269 NE2 HIS A 16 -4.625 10.386 9.628 1.00 0.00 N ATOM 0 H HIS A 16 -6.137 10.563 5.051 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.061 10.140 7.256 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.343 12.500 6.417 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.618 12.610 7.615 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -5.916 9.292 8.245 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.762 12.087 10.575 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.155 9.628 10.122 1.00 0.00 H new ATOM 278 N TYR A 17 -10.015 10.909 5.933 1.00 0.00 N ATOM 279 CA TYR A 17 -11.206 11.410 5.261 1.00 0.00 C ATOM 280 C TYR A 17 -11.682 12.628 6.043 1.00 0.00 C ATOM 281 O TYR A 17 -11.946 12.540 7.252 1.00 0.00 O ATOM 282 CB TYR A 17 -12.289 10.306 5.181 1.00 0.00 C ATOM 283 CG TYR A 17 -11.891 9.151 4.245 1.00 0.00 C ATOM 284 CD1 TYR A 17 -12.076 9.268 2.879 1.00 0.00 C ATOM 285 CD2 TYR A 17 -11.295 7.977 4.716 1.00 0.00 C ATOM 286 CE1 TYR A 17 -11.689 8.279 2.007 1.00 0.00 C ATOM 287 CE2 TYR A 17 -10.914 6.975 3.836 1.00 0.00 C ATOM 288 CZ TYR A 17 -11.115 7.139 2.483 1.00 0.00 C ATOM 289 OH TYR A 17 -10.734 6.161 1.608 1.00 0.00 O ATOM 0 H TYR A 17 -10.211 10.237 6.675 1.00 0.00 H new ATOM 0 HA TYR A 17 -10.990 11.697 4.232 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -12.474 9.911 6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.224 10.745 4.833 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -12.538 10.162 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.130 7.849 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -11.840 8.405 0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.461 6.069 4.210 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.566 5.330 2.099 1.00 0.00 H new ATOM 299 N ARG A 18 -11.747 13.760 5.364 1.00 0.00 N ATOM 300 CA ARG A 18 -12.008 15.056 5.996 1.00 0.00 C ATOM 301 C ARG A 18 -12.865 15.897 5.046 1.00 0.00 C ATOM 302 O ARG A 18 -12.879 15.638 3.855 1.00 0.00 O ATOM 303 CB ARG A 18 -10.649 15.766 6.301 1.00 0.00 C ATOM 304 CG ARG A 18 -10.635 16.654 7.561 1.00 0.00 C ATOM 305 CD ARG A 18 -10.631 15.826 8.859 1.00 0.00 C ATOM 306 NE ARG A 18 -10.542 16.687 10.046 1.00 0.00 N ATOM 307 CZ ARG A 18 -9.942 16.367 11.206 1.00 0.00 C ATOM 308 NH1 ARG A 18 -9.362 15.191 11.376 1.00 0.00 N ATOM 309 NH2 ARG A 18 -9.933 17.231 12.194 1.00 0.00 N ATOM 0 H ARG A 18 -11.621 13.814 4.353 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.543 14.925 6.936 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.876 15.005 6.405 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.378 16.380 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.755 17.297 7.540 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.507 17.307 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.539 15.225 8.911 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.790 15.133 8.847 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.974 17.609 9.985 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.364 14.507 10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.912 14.968 12.264 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.380 18.141 12.080 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.479 16.993 13.076 1.00 0.00 H new ATOM 323 N TYR A 19 -13.565 16.902 5.584 1.00 0.00 N ATOM 324 CA TYR A 19 -14.309 17.898 4.786 1.00 0.00 C ATOM 325 C TYR A 19 -13.397 19.097 4.468 1.00 0.00 C ATOM 326 O TYR A 19 -12.300 19.211 5.021 1.00 0.00 O ATOM 327 CB TYR A 19 -15.567 18.371 5.548 1.00 0.00 C ATOM 328 CG TYR A 19 -16.663 17.304 5.768 1.00 0.00 C ATOM 329 CD1 TYR A 19 -16.513 16.293 6.719 1.00 0.00 C ATOM 330 CD2 TYR A 19 -17.865 17.338 5.053 1.00 0.00 C ATOM 331 CE1 TYR A 19 -17.504 15.361 6.941 1.00 0.00 C ATOM 332 CE2 TYR A 19 -18.859 16.409 5.281 1.00 0.00 C ATOM 333 CZ TYR A 19 -18.671 15.427 6.227 1.00 0.00 C ATOM 334 OH TYR A 19 -19.658 14.506 6.462 1.00 0.00 O ATOM 0 H TYR A 19 -13.635 17.053 6.590 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.627 17.434 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -15.257 18.752 6.521 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.005 19.207 5.003 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.600 16.240 7.294 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.018 18.106 4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.361 14.582 7.675 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.781 16.452 4.720 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.422 14.689 5.876 1.00 0.00 H new ATOM 344 N GLU A 20 -13.898 20.006 3.615 1.00 0.00 N ATOM 345 CA GLU A 20 -13.163 21.208 3.164 1.00 0.00 C ATOM 346 C GLU A 20 -12.844 22.158 4.332 1.00 0.00 C ATOM 347 O GLU A 20 -11.729 22.672 4.446 1.00 0.00 O ATOM 348 CB GLU A 20 -13.975 21.943 2.063 1.00 0.00 C ATOM 349 CG GLU A 20 -15.429 22.299 2.450 1.00 0.00 C ATOM 350 CD GLU A 20 -16.179 23.167 1.427 1.00 0.00 C ATOM 351 OE1 GLU A 20 -15.540 23.759 0.532 1.00 0.00 O ATOM 352 OE2 GLU A 20 -17.416 23.255 1.518 1.00 0.00 O ATOM 0 H GLU A 20 -14.833 19.930 3.213 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.210 20.882 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.451 22.861 1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.995 21.318 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.987 21.374 2.598 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -15.417 22.820 3.407 1.00 0.00 H new ATOM 359 N ASP A 21 -13.843 22.353 5.201 1.00 0.00 N ATOM 360 CA ASP A 21 -13.746 23.197 6.411 1.00 0.00 C ATOM 361 C ASP A 21 -12.895 22.523 7.500 1.00 0.00 C ATOM 362 O ASP A 21 -12.450 23.188 8.440 1.00 0.00 O ATOM 363 CB ASP A 21 -15.171 23.509 6.942 1.00 0.00 C ATOM 364 CG ASP A 21 -15.951 22.243 7.337 1.00 0.00 C ATOM 365 OD1 ASP A 21 -16.352 21.487 6.433 1.00 0.00 O ATOM 366 OD2 ASP A 21 -16.159 22.002 8.538 1.00 0.00 O ATOM 0 H ASP A 21 -14.761 21.923 5.086 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.250 24.130 6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.095 24.168 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -15.728 24.050 6.177 1.00 0.00 H new ATOM 371 N GLY A 22 -12.675 21.207 7.362 1.00 0.00 N ATOM 372 CA GLY A 22 -11.837 20.457 8.292 1.00 0.00 C ATOM 373 C GLY A 22 -12.630 19.644 9.303 1.00 0.00 C ATOM 374 O GLY A 22 -12.079 19.235 10.329 1.00 0.00 O ATOM 0 H GLY A 22 -13.071 20.644 6.609 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.190 19.787 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.188 21.152 8.825 1.00 0.00 H new ATOM 378 N ALA A 23 -13.934 19.422 9.031 1.00 0.00 N ATOM 379 CA ALA A 23 -14.759 18.490 9.820 1.00 0.00 C ATOM 380 C ALA A 23 -14.312 17.041 9.566 1.00 0.00 C ATOM 381 O ALA A 23 -13.869 16.715 8.466 1.00 0.00 O ATOM 382 CB ALA A 23 -16.249 18.669 9.482 1.00 0.00 C ATOM 0 H ALA A 23 -14.436 19.878 8.269 1.00 0.00 H new ATOM 0 HA ALA A 23 -14.623 18.713 10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -16.843 17.973 10.074 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -16.554 19.690 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -16.408 18.471 8.422 1.00 0.00 H new ATOM 388 N VAL A 24 -14.423 16.186 10.587 1.00 0.00 N ATOM 389 CA VAL A 24 -14.024 14.774 10.499 1.00 0.00 C ATOM 390 C VAL A 24 -15.072 13.963 9.701 1.00 0.00 C ATOM 391 O VAL A 24 -16.248 13.951 10.075 1.00 0.00 O ATOM 392 CB VAL A 24 -13.861 14.147 11.934 1.00 0.00 C ATOM 393 CG1 VAL A 24 -13.464 12.657 11.843 1.00 0.00 C ATOM 394 CG2 VAL A 24 -12.850 14.956 12.789 1.00 0.00 C ATOM 0 H VAL A 24 -14.792 16.452 11.500 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.065 14.731 9.982 1.00 0.00 H new ATOM 0 HB VAL A 24 -14.827 14.201 12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -13.358 12.247 12.847 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.237 12.107 11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.517 12.565 11.311 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.759 14.499 13.774 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.877 14.957 12.298 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.203 15.982 12.896 1.00 0.00 H new ATOM 404 N ALA A 25 -14.649 13.321 8.589 1.00 0.00 N ATOM 405 CA ALA A 25 -15.466 12.288 7.919 1.00 0.00 C ATOM 406 C ALA A 25 -15.100 10.903 8.494 1.00 0.00 C ATOM 407 O ALA A 25 -15.952 10.214 9.055 1.00 0.00 O ATOM 408 CB ALA A 25 -15.281 12.344 6.387 1.00 0.00 C ATOM 0 H ALA A 25 -13.751 13.500 8.140 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.522 12.476 8.112 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.893 11.574 5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.586 13.324 6.019 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.233 12.174 6.141 1.00 0.00 H new ATOM 414 N HIS A 26 -13.807 10.542 8.388 1.00 0.00 N ATOM 415 CA HIS A 26 -13.255 9.277 8.915 1.00 0.00 C ATOM 416 C HIS A 26 -11.718 9.311 8.761 1.00 0.00 C ATOM 417 O HIS A 26 -11.154 8.694 7.844 1.00 0.00 O ATOM 418 CB HIS A 26 -13.883 8.048 8.170 1.00 0.00 C ATOM 419 CG HIS A 26 -13.608 6.714 8.811 1.00 0.00 C ATOM 420 ND1 HIS A 26 -12.570 5.857 8.688 1.00 0.00 N flip ATOM 421 CD2 HIS A 26 -14.480 6.117 9.687 1.00 0.00 C flip ATOM 422 CE1 HIS A 26 -12.828 4.775 9.485 1.00 0.00 C flip ATOM 423 NE2 HIS A 26 -13.990 4.965 10.078 1.00 0.00 N flip ATOM 0 H HIS A 26 -13.108 11.126 7.929 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.505 9.170 9.970 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.962 8.190 8.109 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -13.505 8.029 7.148 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.425 6.532 10.005 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.189 3.913 9.607 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.435 4.322 10.733 1.00 0.00 H new ATOM 432 N ASP A 27 -11.036 10.069 9.635 1.00 0.00 N ATOM 433 CA ASP A 27 -9.602 10.377 9.468 1.00 0.00 C ATOM 434 C ASP A 27 -8.708 9.296 10.124 1.00 0.00 C ATOM 435 O ASP A 27 -7.827 9.595 10.946 1.00 0.00 O ATOM 436 CB ASP A 27 -9.304 11.825 9.988 1.00 0.00 C ATOM 437 CG ASP A 27 -9.371 12.004 11.515 1.00 0.00 C ATOM 438 OD1 ASP A 27 -10.416 11.699 12.101 1.00 0.00 O ATOM 439 OD2 ASP A 27 -8.377 12.457 12.122 1.00 0.00 O ATOM 0 H ASP A 27 -11.455 10.482 10.468 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.353 10.356 8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.311 12.118 9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.014 12.512 9.527 1.00 0.00 H new ATOM 444 N ASP A 28 -8.884 8.024 9.689 1.00 0.00 N ATOM 445 CA ASP A 28 -8.298 6.866 10.383 1.00 0.00 C ATOM 446 C ASP A 28 -8.398 5.573 9.544 1.00 0.00 C ATOM 447 O ASP A 28 -8.246 4.473 10.095 1.00 0.00 O ATOM 448 CB ASP A 28 -8.996 6.672 11.774 1.00 0.00 C ATOM 449 CG ASP A 28 -10.510 6.395 11.654 1.00 0.00 C ATOM 450 OD1 ASP A 28 -11.283 7.357 11.450 1.00 0.00 O ATOM 451 OD2 ASP A 28 -10.932 5.221 11.754 1.00 0.00 O ATOM 0 H ASP A 28 -9.428 7.781 8.861 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.238 7.069 10.532 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.521 5.844 12.301 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.842 7.565 12.380 1.00 0.00 H new ATOM 456 N HIS A 29 -8.620 5.677 8.216 1.00 0.00 N ATOM 457 CA HIS A 29 -8.789 4.475 7.367 1.00 0.00 C ATOM 458 C HIS A 29 -7.523 4.219 6.543 1.00 0.00 C ATOM 459 O HIS A 29 -7.028 5.109 5.862 1.00 0.00 O ATOM 460 CB HIS A 29 -10.020 4.593 6.445 1.00 0.00 C ATOM 461 CG HIS A 29 -10.489 3.259 5.894 1.00 0.00 C ATOM 462 ND1 HIS A 29 -11.692 2.680 6.249 1.00 0.00 N ATOM 463 CD2 HIS A 29 -9.891 2.374 5.054 1.00 0.00 C ATOM 464 CE1 HIS A 29 -11.801 1.505 5.658 1.00 0.00 C ATOM 465 NE2 HIS A 29 -10.726 1.301 4.933 1.00 0.00 N ATOM 0 H HIS A 29 -8.686 6.563 7.715 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.957 3.626 8.029 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -10.837 5.057 6.999 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.781 5.257 5.614 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.933 2.497 4.572 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.635 0.825 5.755 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -10.543 0.471 4.368 1.00 0.00 H new ATOM 474 N VAL A 30 -7.037 2.969 6.598 1.00 0.00 N ATOM 475 CA VAL A 30 -5.779 2.539 5.971 1.00 0.00 C ATOM 476 C VAL A 30 -6.004 1.267 5.122 1.00 0.00 C ATOM 477 O VAL A 30 -6.681 0.334 5.570 1.00 0.00 O ATOM 478 CB VAL A 30 -4.714 2.229 7.086 1.00 0.00 C ATOM 479 CG1 VAL A 30 -3.352 1.873 6.480 1.00 0.00 C ATOM 480 CG2 VAL A 30 -4.583 3.395 8.092 1.00 0.00 C ATOM 0 H VAL A 30 -7.517 2.215 7.089 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.422 3.341 5.325 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.073 1.358 7.635 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.641 1.665 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.455 0.991 5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.990 2.709 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.838 3.143 8.846 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.274 4.298 7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.544 3.568 8.575 1.00 0.00 H new ATOM 490 N VAL A 31 -5.432 1.256 3.906 1.00 0.00 N ATOM 491 CA VAL A 31 -5.276 0.047 3.078 1.00 0.00 C ATOM 492 C VAL A 31 -3.766 -0.272 2.976 1.00 0.00 C ATOM 493 O VAL A 31 -2.932 0.622 3.143 1.00 0.00 O ATOM 494 CB VAL A 31 -5.918 0.227 1.645 1.00 0.00 C ATOM 495 CG1 VAL A 31 -5.188 1.290 0.789 1.00 0.00 C ATOM 496 CG2 VAL A 31 -6.034 -1.125 0.902 1.00 0.00 C ATOM 0 H VAL A 31 -5.060 2.097 3.465 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.805 -0.783 3.546 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.928 0.606 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.673 1.370 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.228 2.255 1.295 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.148 0.995 0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.480 -0.964 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.042 -1.561 0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.662 -1.804 1.478 1.00 0.00 H new ATOM 506 N SER A 32 -3.426 -1.545 2.741 1.00 0.00 N ATOM 507 CA SER A 32 -2.038 -2.005 2.608 1.00 0.00 C ATOM 508 C SER A 32 -1.950 -3.193 1.633 1.00 0.00 C ATOM 509 O SER A 32 -2.850 -4.039 1.597 1.00 0.00 O ATOM 510 CB SER A 32 -1.499 -2.409 3.995 1.00 0.00 C ATOM 511 OG SER A 32 -2.344 -3.374 4.618 1.00 0.00 O ATOM 0 H SER A 32 -4.113 -2.292 2.637 1.00 0.00 H new ATOM 0 HA SER A 32 -1.431 -1.193 2.206 1.00 0.00 H new ATOM 0 HB2 SER A 32 -0.493 -2.816 3.892 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.423 -1.526 4.629 1.00 0.00 H new ATOM 0 HG SER A 32 -1.977 -3.613 5.495 1.00 0.00 H new ATOM 517 N LEU A 33 -0.865 -3.247 0.844 1.00 0.00 N ATOM 518 CA LEU A 33 -0.564 -4.376 -0.055 1.00 0.00 C ATOM 519 C LEU A 33 0.585 -5.191 0.541 1.00 0.00 C ATOM 520 O LEU A 33 1.647 -4.639 0.805 1.00 0.00 O ATOM 521 CB LEU A 33 -0.173 -3.863 -1.465 1.00 0.00 C ATOM 522 CG LEU A 33 -1.308 -3.262 -2.332 1.00 0.00 C ATOM 523 CD1 LEU A 33 -0.754 -2.786 -3.699 1.00 0.00 C ATOM 524 CD2 LEU A 33 -2.453 -4.276 -2.508 1.00 0.00 C ATOM 0 H LEU A 33 -0.167 -2.504 0.811 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.451 -5.002 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.602 -3.105 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.272 -4.691 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.716 -2.392 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.565 -2.367 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.008 -2.024 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.315 -3.632 -4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.240 -3.834 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.073 -5.173 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.858 -4.540 -1.531 1.00 0.00 H new ATOM 536 N ILE A 34 0.375 -6.498 0.720 1.00 0.00 N ATOM 537 CA ILE A 34 1.343 -7.390 1.369 1.00 0.00 C ATOM 538 C ILE A 34 2.188 -8.069 0.277 1.00 0.00 C ATOM 539 O ILE A 34 1.731 -9.018 -0.376 1.00 0.00 O ATOM 540 CB ILE A 34 0.625 -8.475 2.276 1.00 0.00 C ATOM 541 CG1 ILE A 34 -0.165 -7.830 3.480 1.00 0.00 C ATOM 542 CG2 ILE A 34 1.639 -9.532 2.798 1.00 0.00 C ATOM 543 CD1 ILE A 34 -1.415 -7.032 3.124 1.00 0.00 C ATOM 0 H ILE A 34 -0.476 -6.971 0.417 1.00 0.00 H new ATOM 0 HA ILE A 34 1.982 -6.802 2.028 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.105 -8.974 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.453 -8.627 4.165 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.516 -7.174 4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.117 -10.262 3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.104 -10.039 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.408 -9.037 3.391 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.868 -6.640 4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.144 -6.204 2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.128 -7.680 2.614 1.00 0.00 H new ATOM 555 N PHE A 35 3.420 -7.582 0.094 1.00 0.00 N ATOM 556 CA PHE A 35 4.360 -8.079 -0.920 1.00 0.00 C ATOM 557 C PHE A 35 5.263 -9.136 -0.296 1.00 0.00 C ATOM 558 O PHE A 35 6.193 -8.824 0.467 1.00 0.00 O ATOM 559 CB PHE A 35 5.201 -6.921 -1.514 1.00 0.00 C ATOM 560 CG PHE A 35 4.367 -5.908 -2.287 1.00 0.00 C ATOM 561 CD1 PHE A 35 3.806 -4.804 -1.659 1.00 0.00 C ATOM 562 CD2 PHE A 35 4.148 -6.072 -3.649 1.00 0.00 C ATOM 563 CE1 PHE A 35 3.055 -3.899 -2.376 1.00 0.00 C ATOM 564 CE2 PHE A 35 3.399 -5.169 -4.360 1.00 0.00 C ATOM 565 CZ PHE A 35 2.852 -4.085 -3.728 1.00 0.00 C ATOM 0 H PHE A 35 3.799 -6.819 0.655 1.00 0.00 H new ATOM 0 HA PHE A 35 3.794 -8.526 -1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.725 -6.410 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.962 -7.335 -2.175 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.960 -4.654 -0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.575 -6.925 -4.157 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.624 -3.042 -1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.241 -5.313 -5.419 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.261 -3.375 -4.288 1.00 0.00 H new ATOM 575 N THR A 36 4.939 -10.379 -0.592 1.00 0.00 N ATOM 576 CA THR A 36 5.683 -11.538 -0.148 1.00 0.00 C ATOM 577 C THR A 36 6.838 -11.777 -1.132 1.00 0.00 C ATOM 578 O THR A 36 6.611 -12.200 -2.272 1.00 0.00 O ATOM 579 CB THR A 36 4.720 -12.772 -0.081 1.00 0.00 C ATOM 580 OG1 THR A 36 3.463 -12.372 0.492 1.00 0.00 O ATOM 581 CG2 THR A 36 5.300 -13.919 0.747 1.00 0.00 C ATOM 0 H THR A 36 4.128 -10.616 -1.164 1.00 0.00 H new ATOM 0 HA THR A 36 6.098 -11.381 0.848 1.00 0.00 H new ATOM 0 HB THR A 36 4.584 -13.131 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.861 -13.144 0.532 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.594 -14.750 0.762 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.239 -14.249 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.480 -13.577 1.766 1.00 0.00 H new ATOM 589 N GLN A 37 8.065 -11.410 -0.733 1.00 0.00 N ATOM 590 CA GLN A 37 9.268 -11.783 -1.483 1.00 0.00 C ATOM 591 C GLN A 37 9.671 -13.192 -1.063 1.00 0.00 C ATOM 592 O GLN A 37 10.216 -13.392 0.025 1.00 0.00 O ATOM 593 CB GLN A 37 10.436 -10.795 -1.255 1.00 0.00 C ATOM 594 CG GLN A 37 11.734 -11.196 -2.005 1.00 0.00 C ATOM 595 CD GLN A 37 12.884 -10.206 -1.861 1.00 0.00 C ATOM 596 OE1 GLN A 37 12.670 -9.007 -1.690 1.00 0.00 O ATOM 597 NE2 GLN A 37 14.114 -10.699 -1.938 1.00 0.00 N ATOM 0 H GLN A 37 8.248 -10.856 0.104 1.00 0.00 H new ATOM 0 HA GLN A 37 9.041 -11.748 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.130 -9.800 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.646 -10.732 -0.187 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.062 -12.169 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.504 -11.314 -3.064 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.255 -11.699 -2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 37 14.919 -10.078 -1.855 1.00 0.00 H new ATOM 606 N SER A 38 9.345 -14.164 -1.913 1.00 0.00 N ATOM 607 CA SER A 38 9.721 -15.552 -1.700 1.00 0.00 C ATOM 608 C SER A 38 11.217 -15.741 -1.962 1.00 0.00 C ATOM 609 O SER A 38 11.811 -15.024 -2.773 1.00 0.00 O ATOM 610 CB SER A 38 8.855 -16.476 -2.582 1.00 0.00 C ATOM 611 OG SER A 38 8.952 -16.139 -3.961 1.00 0.00 O ATOM 0 H SER A 38 8.812 -14.007 -2.768 1.00 0.00 H new ATOM 0 HA SER A 38 9.537 -15.824 -0.661 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.167 -17.511 -2.439 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.814 -16.410 -2.265 1.00 0.00 H new ATOM 0 HG SER A 38 8.386 -15.361 -4.148 1.00 0.00 H new ATOM 617 N GLY A 39 11.799 -16.687 -1.236 1.00 0.00 N ATOM 618 CA GLY A 39 13.218 -17.033 -1.352 1.00 0.00 C ATOM 619 C GLY A 39 13.452 -18.487 -1.002 1.00 0.00 C ATOM 620 O GLY A 39 12.496 -19.213 -0.691 1.00 0.00 O ATOM 0 H GLY A 39 11.299 -17.243 -0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 39 13.561 -16.840 -2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.806 -16.397 -0.691 1.00 0.00 H new ATOM 624 N LYS A 40 14.716 -18.931 -1.006 1.00 0.00 N ATOM 625 CA LYS A 40 15.045 -20.347 -0.740 1.00 0.00 C ATOM 626 C LYS A 40 16.244 -20.452 0.208 1.00 0.00 C ATOM 627 O LYS A 40 17.202 -19.675 0.094 1.00 0.00 O ATOM 628 CB LYS A 40 15.269 -21.101 -2.090 1.00 0.00 C ATOM 629 CG LYS A 40 16.549 -20.741 -2.900 1.00 0.00 C ATOM 630 CD LYS A 40 17.738 -21.678 -2.586 1.00 0.00 C ATOM 631 CE LYS A 40 18.950 -21.431 -3.484 1.00 0.00 C ATOM 632 NZ LYS A 40 20.036 -22.404 -3.210 1.00 0.00 N ATOM 0 H LYS A 40 15.526 -18.339 -1.189 1.00 0.00 H new ATOM 0 HA LYS A 40 14.209 -20.831 -0.235 1.00 0.00 H new ATOM 0 HB2 LYS A 40 15.291 -22.170 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 40 14.403 -20.919 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 40 16.325 -20.790 -3.966 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.835 -19.712 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 40 18.032 -21.546 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 40 17.416 -22.713 -2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.650 -21.503 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 40 19.320 -20.418 -3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.762 -22.332 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.464 -22.195 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.645 -23.368 -3.201 1.00 0.00 H new ATOM 646 N ARG A 41 16.177 -21.405 1.154 1.00 0.00 N ATOM 647 CA ARG A 41 17.231 -21.607 2.165 1.00 0.00 C ATOM 648 C ARG A 41 17.872 -22.980 1.990 1.00 0.00 C ATOM 649 O ARG A 41 17.180 -24.003 2.032 1.00 0.00 O ATOM 650 CB ARG A 41 16.653 -21.497 3.604 1.00 0.00 C ATOM 651 CG ARG A 41 17.734 -21.438 4.715 1.00 0.00 C ATOM 652 CD ARG A 41 17.171 -21.679 6.132 1.00 0.00 C ATOM 653 NE ARG A 41 16.038 -20.795 6.465 1.00 0.00 N ATOM 654 CZ ARG A 41 16.056 -19.805 7.372 1.00 0.00 C ATOM 655 NH1 ARG A 41 17.161 -19.525 8.063 1.00 0.00 N ATOM 656 NH2 ARG A 41 14.962 -19.098 7.571 1.00 0.00 N ATOM 0 H ARG A 41 15.395 -22.054 1.240 1.00 0.00 H new ATOM 0 HA ARG A 41 17.981 -20.828 2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 41 16.032 -20.604 3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 41 16.002 -22.351 3.789 1.00 0.00 H new ATOM 0 HG2 ARG A 41 18.501 -22.184 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 41 18.221 -20.463 4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 41 16.851 -22.717 6.217 1.00 0.00 H new ATOM 0 HD3 ARG A 41 17.966 -21.530 6.862 1.00 0.00 H new ATOM 0 HE ARG A 41 15.164 -20.949 5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 41 18.011 -20.066 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 41 17.156 -18.769 8.748 1.00 0.00 H new ATOM 0 HH21 ARG A 41 14.117 -19.306 7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 14.960 -18.343 8.257 1.00 0.00 H new ATOM 670 N ASP A 42 19.193 -22.982 1.792 1.00 0.00 N ATOM 671 CA ASP A 42 20.014 -24.200 1.829 1.00 0.00 C ATOM 672 C ASP A 42 20.215 -24.588 3.298 1.00 0.00 C ATOM 673 O ASP A 42 20.880 -23.855 4.027 1.00 0.00 O ATOM 674 CB ASP A 42 21.387 -23.922 1.171 1.00 0.00 C ATOM 675 CG ASP A 42 21.285 -23.468 -0.288 1.00 0.00 C ATOM 676 OD1 ASP A 42 21.253 -24.320 -1.193 1.00 0.00 O ATOM 677 OD2 ASP A 42 21.240 -22.249 -0.542 1.00 0.00 O ATOM 0 H ASP A 42 19.728 -22.135 1.600 1.00 0.00 H new ATOM 0 HA ASP A 42 19.523 -25.007 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 42 21.908 -23.156 1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 42 21.994 -24.826 1.220 1.00 0.00 H new ATOM 682 N LEU A 43 19.631 -25.721 3.733 1.00 0.00 N ATOM 683 CA LEU A 43 19.732 -26.184 5.150 1.00 0.00 C ATOM 684 C LEU A 43 21.113 -26.792 5.474 1.00 0.00 C ATOM 685 O LEU A 43 21.435 -27.012 6.640 1.00 0.00 O ATOM 686 CB LEU A 43 18.582 -27.180 5.471 1.00 0.00 C ATOM 687 CG LEU A 43 17.146 -26.578 5.389 1.00 0.00 C ATOM 688 CD1 LEU A 43 16.078 -27.616 5.774 1.00 0.00 C ATOM 689 CD2 LEU A 43 17.028 -25.317 6.260 1.00 0.00 C ATOM 0 H LEU A 43 19.084 -26.338 3.133 1.00 0.00 H new ATOM 0 HA LEU A 43 19.626 -25.309 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 43 18.647 -28.021 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.736 -27.578 6.474 1.00 0.00 H new ATOM 0 HG LEU A 43 16.967 -26.291 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.089 -27.163 5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 43 16.135 -28.466 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 43 16.252 -27.956 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.017 -24.917 6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.242 -25.571 7.298 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.741 -24.568 5.915 1.00 0.00 H new ATOM 701 N THR A 44 21.921 -27.025 4.429 1.00 0.00 N ATOM 702 CA THR A 44 23.269 -27.589 4.551 1.00 0.00 C ATOM 703 C THR A 44 24.241 -26.540 5.140 1.00 0.00 C ATOM 704 O THR A 44 24.909 -26.804 6.142 1.00 0.00 O ATOM 705 CB THR A 44 23.779 -28.157 3.168 1.00 0.00 C ATOM 706 OG1 THR A 44 25.152 -28.570 3.258 1.00 0.00 O ATOM 707 CG2 THR A 44 23.603 -27.155 2.002 1.00 0.00 C ATOM 0 H THR A 44 21.652 -26.824 3.466 1.00 0.00 H new ATOM 0 HA THR A 44 23.231 -28.431 5.243 1.00 0.00 H new ATOM 0 HB THR A 44 23.155 -29.022 2.946 1.00 0.00 H new ATOM 0 HG1 THR A 44 25.446 -28.920 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 44 23.971 -27.603 1.079 1.00 0.00 H new ATOM 0 HG22 THR A 44 22.547 -26.909 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 44 24.166 -26.247 2.215 1.00 0.00 H new ATOM 715 N ASN A 45 24.292 -25.350 4.512 1.00 0.00 N ATOM 716 CA ASN A 45 25.153 -24.230 4.949 1.00 0.00 C ATOM 717 C ASN A 45 24.369 -23.231 5.831 1.00 0.00 C ATOM 718 O ASN A 45 24.967 -22.437 6.565 1.00 0.00 O ATOM 719 CB ASN A 45 25.734 -23.530 3.697 1.00 0.00 C ATOM 720 CG ASN A 45 26.820 -22.488 3.995 1.00 0.00 C ATOM 721 OD1 ASN A 45 26.425 -21.240 4.197 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 28.007 -22.807 4.035 1.00 0.00 N flip ATOM 0 H ASN A 45 23.736 -25.136 3.684 1.00 0.00 H new ATOM 0 HA ASN A 45 25.968 -24.619 5.559 1.00 0.00 H new ATOM 0 HB2 ASN A 45 26.149 -24.288 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 45 24.921 -23.044 3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 45 28.280 -23.777 3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 45 28.718 -22.102 4.228 1.00 0.00 H new ATOM 729 N GLY A 46 23.029 -23.287 5.750 1.00 0.00 N ATOM 730 CA GLY A 46 22.154 -22.335 6.454 1.00 0.00 C ATOM 731 C GLY A 46 22.108 -20.962 5.769 1.00 0.00 C ATOM 732 O GLY A 46 21.849 -19.941 6.417 1.00 0.00 O ATOM 0 H GLY A 46 22.527 -23.985 5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.145 -22.745 6.508 1.00 0.00 H new ATOM 0 HA3 GLY A 46 22.504 -22.214 7.479 1.00 0.00 H new ATOM 736 N LYS A 47 22.347 -20.962 4.444 1.00 0.00 N ATOM 737 CA LYS A 47 22.430 -19.739 3.625 1.00 0.00 C ATOM 738 C LYS A 47 21.066 -19.433 2.982 1.00 0.00 C ATOM 739 O LYS A 47 20.455 -20.310 2.357 1.00 0.00 O ATOM 740 CB LYS A 47 23.560 -19.884 2.554 1.00 0.00 C ATOM 741 CG LYS A 47 23.515 -21.172 1.719 1.00 0.00 C ATOM 742 CD LYS A 47 24.792 -21.405 0.860 1.00 0.00 C ATOM 743 CE LYS A 47 24.853 -20.549 -0.413 1.00 0.00 C ATOM 744 NZ LYS A 47 23.887 -21.030 -1.437 1.00 0.00 N ATOM 0 H LYS A 47 22.489 -21.818 3.908 1.00 0.00 H new ATOM 0 HA LYS A 47 22.687 -18.894 4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 47 23.508 -19.031 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 47 24.525 -19.832 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.376 -22.023 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.646 -21.138 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 47 25.671 -21.194 1.470 1.00 0.00 H new ATOM 0 HD3 LYS A 47 24.842 -22.457 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 47 24.636 -19.510 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 47 25.863 -20.575 -0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 23.635 -20.246 -2.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 24.320 -21.798 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 23.029 -21.383 -0.966 1.00 0.00 H new ATOM 758 N GLU A 48 20.594 -18.183 3.158 1.00 0.00 N ATOM 759 CA GLU A 48 19.299 -17.714 2.652 1.00 0.00 C ATOM 760 C GLU A 48 19.505 -16.869 1.393 1.00 0.00 C ATOM 761 O GLU A 48 20.055 -15.767 1.455 1.00 0.00 O ATOM 762 CB GLU A 48 18.609 -16.882 3.751 1.00 0.00 C ATOM 763 CG GLU A 48 18.191 -17.692 4.986 1.00 0.00 C ATOM 764 CD GLU A 48 17.467 -16.853 6.042 1.00 0.00 C ATOM 765 OE1 GLU A 48 16.283 -16.528 5.843 1.00 0.00 O ATOM 766 OE2 GLU A 48 18.078 -16.497 7.071 1.00 0.00 O ATOM 0 H GLU A 48 21.113 -17.465 3.663 1.00 0.00 H new ATOM 0 HA GLU A 48 18.671 -18.566 2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 48 19.283 -16.085 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.725 -16.404 3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.542 -18.510 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.077 -18.142 5.434 1.00 0.00 H new ATOM 773 N ILE A 49 19.071 -17.411 0.260 1.00 0.00 N ATOM 774 CA ILE A 49 19.225 -16.774 -1.049 1.00 0.00 C ATOM 775 C ILE A 49 17.912 -16.069 -1.400 1.00 0.00 C ATOM 776 O ILE A 49 16.893 -16.724 -1.665 1.00 0.00 O ATOM 777 CB ILE A 49 19.644 -17.801 -2.187 1.00 0.00 C ATOM 778 CG1 ILE A 49 21.124 -18.285 -2.015 1.00 0.00 C ATOM 779 CG2 ILE A 49 19.457 -17.196 -3.599 1.00 0.00 C ATOM 780 CD1 ILE A 49 21.438 -19.018 -0.726 1.00 0.00 C ATOM 0 H ILE A 49 18.597 -18.314 0.221 1.00 0.00 H new ATOM 0 HA ILE A 49 20.039 -16.051 -0.989 1.00 0.00 H new ATOM 0 HB ILE A 49 18.982 -18.661 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 49 21.371 -18.939 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 49 21.780 -17.417 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 49 19.754 -17.928 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 49 18.410 -16.930 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 49 20.075 -16.304 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 49 22.490 -19.305 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 49 21.233 -18.366 0.123 1.00 0.00 H new ATOM 0 HD13 ILE A 49 20.818 -19.911 -0.655 1.00 0.00 H new ATOM 792 N TRP A 50 17.938 -14.733 -1.343 1.00 0.00 N ATOM 793 CA TRP A 50 16.839 -13.873 -1.774 1.00 0.00 C ATOM 794 C TRP A 50 17.208 -13.335 -3.147 1.00 0.00 C ATOM 795 O TRP A 50 18.224 -12.646 -3.282 1.00 0.00 O ATOM 796 CB TRP A 50 16.652 -12.721 -0.755 1.00 0.00 C ATOM 797 CG TRP A 50 16.453 -13.234 0.652 1.00 0.00 C ATOM 798 CD1 TRP A 50 17.388 -13.346 1.649 1.00 0.00 C ATOM 799 CD2 TRP A 50 15.242 -13.751 1.180 1.00 0.00 C ATOM 800 NE1 TRP A 50 16.812 -13.898 2.767 1.00 0.00 N ATOM 801 CE2 TRP A 50 15.485 -14.141 2.506 1.00 0.00 C ATOM 802 CE3 TRP A 50 13.962 -13.895 0.649 1.00 0.00 C ATOM 803 CZ2 TRP A 50 14.484 -14.687 3.309 1.00 0.00 C ATOM 804 CZ3 TRP A 50 12.981 -14.439 1.433 1.00 0.00 C ATOM 805 CH2 TRP A 50 13.237 -14.821 2.753 1.00 0.00 C ATOM 0 H TRP A 50 18.741 -14.213 -0.989 1.00 0.00 H new ATOM 0 HA TRP A 50 15.898 -14.420 -1.827 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.524 -12.068 -0.782 1.00 0.00 H new ATOM 0 HB3 TRP A 50 15.792 -12.117 -1.045 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.422 -13.045 1.567 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.290 -14.095 3.646 1.00 0.00 H new ATOM 0 HE3 TRP A 50 13.748 -13.583 -0.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.682 -14.992 4.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 11.991 -14.576 1.024 1.00 0.00 H new ATOM 0 HH2 TRP A 50 12.435 -15.231 3.349 1.00 0.00 H new ATOM 816 N ASP A 51 16.410 -13.677 -4.164 1.00 0.00 N ATOM 817 CA ASP A 51 16.734 -13.318 -5.545 1.00 0.00 C ATOM 818 C ASP A 51 16.577 -11.799 -5.745 1.00 0.00 C ATOM 819 O ASP A 51 15.508 -11.248 -5.504 1.00 0.00 O ATOM 820 CB ASP A 51 15.859 -14.102 -6.547 1.00 0.00 C ATOM 821 CG ASP A 51 16.331 -13.917 -7.998 1.00 0.00 C ATOM 822 OD1 ASP A 51 17.205 -14.684 -8.451 1.00 0.00 O ATOM 823 OD2 ASP A 51 15.846 -13.007 -8.677 1.00 0.00 O ATOM 0 H ASP A 51 15.540 -14.199 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 51 17.772 -13.590 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 51 15.879 -15.162 -6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.824 -13.772 -6.459 1.00 0.00 H new ATOM 828 N SER A 52 17.678 -11.166 -6.151 1.00 0.00 N ATOM 829 CA SER A 52 17.772 -9.722 -6.395 1.00 0.00 C ATOM 830 C SER A 52 16.845 -9.267 -7.548 1.00 0.00 C ATOM 831 O SER A 52 16.241 -8.196 -7.476 1.00 0.00 O ATOM 832 CB SER A 52 19.247 -9.367 -6.693 1.00 0.00 C ATOM 833 OG SER A 52 19.440 -7.970 -6.794 1.00 0.00 O ATOM 0 H SER A 52 18.556 -11.656 -6.325 1.00 0.00 H new ATOM 0 HA SER A 52 17.436 -9.191 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 52 19.884 -9.766 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 52 19.555 -9.845 -7.623 1.00 0.00 H new ATOM 0 HG SER A 52 20.384 -7.783 -6.981 1.00 0.00 H new ATOM 839 N LYS A 53 16.702 -10.119 -8.586 1.00 0.00 N ATOM 840 CA LYS A 53 15.868 -9.806 -9.770 1.00 0.00 C ATOM 841 C LYS A 53 14.374 -10.014 -9.460 1.00 0.00 C ATOM 842 O LYS A 53 13.524 -9.677 -10.292 1.00 0.00 O ATOM 843 CB LYS A 53 16.273 -10.658 -11.012 1.00 0.00 C ATOM 844 CG LYS A 53 17.746 -10.483 -11.485 1.00 0.00 C ATOM 845 CD LYS A 53 18.751 -11.382 -10.720 1.00 0.00 C ATOM 846 CE LYS A 53 18.540 -12.886 -10.994 1.00 0.00 C ATOM 847 NZ LYS A 53 19.405 -13.737 -10.132 1.00 0.00 N ATOM 0 H LYS A 53 17.154 -11.032 -8.629 1.00 0.00 H new ATOM 0 HA LYS A 53 16.041 -8.757 -10.010 1.00 0.00 H new ATOM 0 HB2 LYS A 53 16.105 -11.710 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 53 15.610 -10.403 -11.839 1.00 0.00 H new ATOM 0 HG2 LYS A 53 17.807 -10.708 -12.550 1.00 0.00 H new ATOM 0 HG3 LYS A 53 18.037 -9.440 -11.363 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.767 -11.105 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 53 18.656 -11.196 -9.650 1.00 0.00 H new ATOM 0 HE2 LYS A 53 17.494 -13.142 -10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.753 -13.097 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 19.892 -14.444 -10.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 20.109 -13.141 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.819 -14.221 -9.422 1.00 0.00 H new ATOM 861 N TRP A 54 14.070 -10.581 -8.272 1.00 0.00 N ATOM 862 CA TRP A 54 12.692 -10.808 -7.832 1.00 0.00 C ATOM 863 C TRP A 54 12.037 -9.467 -7.443 1.00 0.00 C ATOM 864 O TRP A 54 12.581 -8.694 -6.636 1.00 0.00 O ATOM 865 CB TRP A 54 12.635 -11.813 -6.642 1.00 0.00 C ATOM 866 CG TRP A 54 11.226 -12.223 -6.241 1.00 0.00 C ATOM 867 CD1 TRP A 54 10.385 -11.588 -5.359 1.00 0.00 C ATOM 868 CD2 TRP A 54 10.497 -13.359 -6.727 1.00 0.00 C ATOM 869 NE1 TRP A 54 9.193 -12.257 -5.278 1.00 0.00 N ATOM 870 CE2 TRP A 54 9.237 -13.344 -6.107 1.00 0.00 C ATOM 871 CE3 TRP A 54 10.786 -14.385 -7.634 1.00 0.00 C ATOM 872 CZ2 TRP A 54 8.276 -14.314 -6.355 1.00 0.00 C ATOM 873 CZ3 TRP A 54 9.830 -15.351 -7.879 1.00 0.00 C ATOM 874 CH2 TRP A 54 8.585 -15.307 -7.246 1.00 0.00 C ATOM 0 H TRP A 54 14.774 -10.889 -7.601 1.00 0.00 H new ATOM 0 HA TRP A 54 12.136 -11.248 -8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.200 -12.707 -6.908 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.131 -11.367 -5.780 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.629 -10.691 -4.809 1.00 0.00 H new ATOM 0 HE1 TRP A 54 8.401 -11.988 -4.694 1.00 0.00 H new ATOM 0 HE3 TRP A 54 11.742 -14.421 -8.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 7.316 -14.287 -5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.048 -16.152 -8.570 1.00 0.00 H new ATOM 0 HH2 TRP A 54 7.853 -16.070 -7.464 1.00 0.00 H new ATOM 885 N SER A 55 10.869 -9.227 -8.036 1.00 0.00 N ATOM 886 CA SER A 55 9.989 -8.109 -7.707 1.00 0.00 C ATOM 887 C SER A 55 8.552 -8.616 -7.671 1.00 0.00 C ATOM 888 O SER A 55 8.236 -9.638 -8.286 1.00 0.00 O ATOM 889 CB SER A 55 10.145 -6.974 -8.742 1.00 0.00 C ATOM 890 OG SER A 55 9.947 -7.426 -10.074 1.00 0.00 O ATOM 0 H SER A 55 10.499 -9.821 -8.778 1.00 0.00 H new ATOM 0 HA SER A 55 10.256 -7.703 -6.732 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.430 -6.182 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.140 -6.539 -8.653 1.00 0.00 H new ATOM 0 HG SER A 55 10.054 -6.674 -10.694 1.00 0.00 H new ATOM 896 N LEU A 56 7.688 -7.905 -6.958 1.00 0.00 N ATOM 897 CA LEU A 56 6.266 -8.252 -6.848 1.00 0.00 C ATOM 898 C LEU A 56 5.455 -6.972 -7.139 1.00 0.00 C ATOM 899 O LEU A 56 5.688 -5.943 -6.505 1.00 0.00 O ATOM 900 CB LEU A 56 5.984 -8.848 -5.419 1.00 0.00 C ATOM 901 CG LEU A 56 4.837 -9.916 -5.314 1.00 0.00 C ATOM 902 CD1 LEU A 56 3.436 -9.329 -5.627 1.00 0.00 C ATOM 903 CD2 LEU A 56 5.149 -11.140 -6.220 1.00 0.00 C ATOM 0 H LEU A 56 7.948 -7.068 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 56 5.972 -9.018 -7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.905 -9.300 -5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.744 -8.023 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 56 4.803 -10.246 -4.276 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.685 -10.114 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.211 -8.529 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.427 -8.931 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.344 -11.870 -6.135 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.235 -10.813 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.087 -11.596 -5.905 1.00 0.00 H new ATOM 915 N THR A 57 4.539 -7.035 -8.127 1.00 0.00 N ATOM 916 CA THR A 57 3.695 -5.894 -8.523 1.00 0.00 C ATOM 917 C THR A 57 2.223 -6.217 -8.240 1.00 0.00 C ATOM 918 O THR A 57 1.703 -7.219 -8.747 1.00 0.00 O ATOM 919 CB THR A 57 3.863 -5.551 -10.042 1.00 0.00 C ATOM 920 OG1 THR A 57 5.253 -5.362 -10.331 1.00 0.00 O ATOM 921 CG2 THR A 57 3.082 -4.282 -10.455 1.00 0.00 C ATOM 0 H THR A 57 4.365 -7.880 -8.672 1.00 0.00 H new ATOM 0 HA THR A 57 4.011 -5.029 -7.940 1.00 0.00 H new ATOM 0 HB THR A 57 3.455 -6.386 -10.612 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.469 -4.407 -10.287 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.234 -4.091 -11.517 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.020 -4.429 -10.261 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.441 -3.430 -9.878 1.00 0.00 H new ATOM 929 N GLN A 58 1.568 -5.379 -7.425 1.00 0.00 N ATOM 930 CA GLN A 58 0.128 -5.507 -7.113 1.00 0.00 C ATOM 931 C GLN A 58 -0.595 -4.212 -7.502 1.00 0.00 C ATOM 932 O GLN A 58 -0.039 -3.124 -7.368 1.00 0.00 O ATOM 933 CB GLN A 58 -0.092 -5.822 -5.613 1.00 0.00 C ATOM 934 CG GLN A 58 0.491 -7.167 -5.146 1.00 0.00 C ATOM 935 CD GLN A 58 0.409 -7.386 -3.635 1.00 0.00 C ATOM 936 OE1 GLN A 58 -0.505 -6.918 -2.964 1.00 0.00 O ATOM 937 NE2 GLN A 58 1.377 -8.087 -3.092 1.00 0.00 N ATOM 0 H GLN A 58 2.018 -4.590 -6.960 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.283 -6.337 -7.688 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.352 -5.023 -5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.162 -5.815 -5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.038 -7.976 -5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.534 -7.227 -5.456 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.124 -8.463 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.382 -8.255 -2.086 1.00 0.00 H new ATOM 946 N THR A 59 -1.840 -4.368 -7.966 1.00 0.00 N ATOM 947 CA THR A 59 -2.679 -3.277 -8.456 1.00 0.00 C ATOM 948 C THR A 59 -3.106 -2.355 -7.297 1.00 0.00 C ATOM 949 O THR A 59 -3.635 -2.826 -6.288 1.00 0.00 O ATOM 950 CB THR A 59 -3.932 -3.863 -9.182 1.00 0.00 C ATOM 951 OG1 THR A 59 -3.515 -4.806 -10.187 1.00 0.00 O ATOM 952 CG2 THR A 59 -4.796 -2.775 -9.840 1.00 0.00 C ATOM 0 H THR A 59 -2.299 -5.278 -8.011 1.00 0.00 H new ATOM 0 HA THR A 59 -2.104 -2.681 -9.165 1.00 0.00 H new ATOM 0 HB THR A 59 -4.540 -4.354 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.304 -5.173 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.653 -3.238 -10.330 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.146 -2.078 -9.078 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.203 -2.237 -10.579 1.00 0.00 H new ATOM 960 N PHE A 60 -2.835 -1.054 -7.442 1.00 0.00 N ATOM 961 CA PHE A 60 -3.173 -0.033 -6.431 1.00 0.00 C ATOM 962 C PHE A 60 -4.148 0.964 -7.066 1.00 0.00 C ATOM 963 O PHE A 60 -3.752 1.709 -7.975 1.00 0.00 O ATOM 964 CB PHE A 60 -1.877 0.665 -5.941 1.00 0.00 C ATOM 965 CG PHE A 60 -1.794 1.044 -4.456 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.264 0.186 -3.465 1.00 0.00 C ATOM 967 CD2 PHE A 60 -1.125 2.197 -4.052 1.00 0.00 C ATOM 968 CE1 PHE A 60 -2.064 0.462 -2.128 1.00 0.00 C ATOM 969 CE2 PHE A 60 -0.946 2.483 -2.715 1.00 0.00 C ATOM 970 CZ PHE A 60 -1.404 1.610 -1.754 1.00 0.00 C ATOM 0 H PHE A 60 -2.372 -0.672 -8.267 1.00 0.00 H new ATOM 0 HA PHE A 60 -3.648 -0.487 -5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.036 0.010 -6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.742 1.573 -6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.794 -0.711 -3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.741 2.877 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -2.425 -0.223 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.445 3.394 -2.421 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.245 1.826 -0.708 1.00 0.00 H new ATOM 980 N GLU A 61 -5.408 0.914 -6.624 1.00 0.00 N ATOM 981 CA GLU A 61 -6.503 1.806 -7.059 1.00 0.00 C ATOM 982 C GLU A 61 -7.778 1.475 -6.255 1.00 0.00 C ATOM 983 O GLU A 61 -7.716 0.677 -5.314 1.00 0.00 O ATOM 984 CB GLU A 61 -6.754 1.729 -8.611 1.00 0.00 C ATOM 985 CG GLU A 61 -6.687 0.321 -9.255 1.00 0.00 C ATOM 986 CD GLU A 61 -7.681 -0.711 -8.690 1.00 0.00 C ATOM 987 OE1 GLU A 61 -8.823 -0.799 -9.181 1.00 0.00 O ATOM 988 OE2 GLU A 61 -7.314 -1.461 -7.762 1.00 0.00 O ATOM 0 H GLU A 61 -5.711 0.231 -5.930 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.212 2.837 -6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.737 2.152 -8.819 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.021 2.366 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.863 0.421 -10.326 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.676 -0.068 -9.133 1.00 0.00 H new ATOM 995 N ALA A 62 -8.918 2.082 -6.646 1.00 0.00 N ATOM 996 CA ALA A 62 -10.244 1.849 -6.035 1.00 0.00 C ATOM 997 C ALA A 62 -10.217 1.994 -4.495 1.00 0.00 C ATOM 998 O ALA A 62 -10.020 1.015 -3.761 1.00 0.00 O ATOM 999 CB ALA A 62 -10.831 0.491 -6.474 1.00 0.00 C ATOM 0 H ALA A 62 -8.944 2.759 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.908 2.630 -6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.806 0.349 -6.008 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.941 0.476 -7.558 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.161 -0.312 -6.166 1.00 0.00 H new ATOM 1005 N LEU A 63 -10.392 3.236 -4.019 1.00 0.00 N ATOM 1006 CA LEU A 63 -10.369 3.567 -2.589 1.00 0.00 C ATOM 1007 C LEU A 63 -11.832 3.663 -2.059 1.00 0.00 C ATOM 1008 O LEU A 63 -12.593 4.520 -2.522 1.00 0.00 O ATOM 1009 CB LEU A 63 -9.560 4.896 -2.361 1.00 0.00 C ATOM 1010 CG LEU A 63 -8.301 4.769 -1.450 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -8.700 4.329 -0.030 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.253 3.800 -2.062 1.00 0.00 C ATOM 0 H LEU A 63 -10.554 4.043 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.863 2.783 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.247 5.281 -3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.229 5.638 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.836 5.752 -1.384 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.807 4.246 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.375 5.067 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.201 3.362 -0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.388 3.735 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.696 2.811 -2.178 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.938 4.173 -3.036 1.00 0.00 H new ATOM 1024 N PRO A 64 -12.250 2.742 -1.116 1.00 0.00 N ATOM 1025 CA PRO A 64 -13.588 2.776 -0.452 1.00 0.00 C ATOM 1026 C PRO A 64 -13.825 4.063 0.385 1.00 0.00 C ATOM 1027 O PRO A 64 -13.672 4.074 1.611 1.00 0.00 O ATOM 1028 CB PRO A 64 -13.589 1.491 0.444 1.00 0.00 C ATOM 1029 CG PRO A 64 -12.507 0.617 -0.118 1.00 0.00 C ATOM 1030 CD PRO A 64 -11.464 1.563 -0.672 1.00 0.00 C ATOM 0 HA PRO A 64 -14.399 2.792 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.393 1.739 1.487 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -14.556 0.990 0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.083 -0.026 0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.897 -0.036 -0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.729 1.835 0.086 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.916 1.113 -1.500 1.00 0.00 H new ATOM 1038 N SER A 65 -14.184 5.140 -0.302 1.00 0.00 N ATOM 1039 CA SER A 65 -14.373 6.464 0.297 1.00 0.00 C ATOM 1040 C SER A 65 -15.870 6.707 0.652 1.00 0.00 C ATOM 1041 O SER A 65 -16.747 6.311 -0.125 1.00 0.00 O ATOM 1042 CB SER A 65 -13.829 7.526 -0.696 1.00 0.00 C ATOM 1043 OG SER A 65 -14.319 7.308 -2.011 1.00 0.00 O ATOM 0 H SER A 65 -14.356 5.123 -1.307 1.00 0.00 H new ATOM 0 HA SER A 65 -13.822 6.536 1.235 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.117 8.522 -0.359 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.739 7.495 -0.703 1.00 0.00 H new ATOM 0 HG SER A 65 -13.565 7.199 -2.627 1.00 0.00 H new ATOM 1049 N PRO A 66 -16.183 7.304 1.863 1.00 0.00 N ATOM 1050 CA PRO A 66 -17.560 7.721 2.260 1.00 0.00 C ATOM 1051 C PRO A 66 -18.346 8.458 1.148 1.00 0.00 C ATOM 1052 O PRO A 66 -17.848 9.432 0.580 1.00 0.00 O ATOM 1053 CB PRO A 66 -17.293 8.679 3.449 1.00 0.00 C ATOM 1054 CG PRO A 66 -16.051 8.146 4.095 1.00 0.00 C ATOM 1055 CD PRO A 66 -15.214 7.563 2.972 1.00 0.00 C ATOM 0 HA PRO A 66 -18.183 6.857 2.490 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.153 9.705 3.107 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.130 8.687 4.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.511 8.938 4.614 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -16.293 7.385 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.433 8.257 2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -14.718 6.645 3.285 1.00 0.00 H new ATOM 1063 N VAL A 67 -19.555 7.969 0.817 1.00 0.00 N ATOM 1064 CA VAL A 67 -20.464 8.679 -0.101 1.00 0.00 C ATOM 1065 C VAL A 67 -21.275 9.680 0.730 1.00 0.00 C ATOM 1066 O VAL A 67 -22.113 9.280 1.545 1.00 0.00 O ATOM 1067 CB VAL A 67 -21.424 7.700 -0.884 1.00 0.00 C ATOM 1068 CG1 VAL A 67 -22.377 8.481 -1.830 1.00 0.00 C ATOM 1069 CG2 VAL A 67 -20.598 6.647 -1.662 1.00 0.00 C ATOM 0 H VAL A 67 -19.925 7.087 1.171 1.00 0.00 H new ATOM 0 HA VAL A 67 -19.873 9.189 -0.861 1.00 0.00 H new ATOM 0 HB VAL A 67 -22.047 7.178 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -23.025 7.779 -2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -22.987 9.170 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -21.789 9.043 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -21.272 5.979 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -19.945 7.151 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -19.994 6.069 -0.963 1.00 0.00 H new ATOM 1079 N ILE A 68 -20.981 10.979 0.555 1.00 0.00 N ATOM 1080 CA ILE A 68 -21.630 12.060 1.306 1.00 0.00 C ATOM 1081 C ILE A 68 -22.532 12.865 0.360 1.00 0.00 C ATOM 1082 O ILE A 68 -22.103 13.231 -0.737 1.00 0.00 O ATOM 1083 CB ILE A 68 -20.558 12.994 1.978 1.00 0.00 C ATOM 1084 CG1 ILE A 68 -19.594 12.163 2.891 1.00 0.00 C ATOM 1085 CG2 ILE A 68 -21.238 14.126 2.783 1.00 0.00 C ATOM 1086 CD1 ILE A 68 -18.542 12.977 3.619 1.00 0.00 C ATOM 0 H ILE A 68 -20.284 11.307 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 68 -22.238 11.627 2.100 1.00 0.00 H new ATOM 0 HB ILE A 68 -19.966 13.453 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -20.190 11.625 3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -19.093 11.414 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -20.475 14.758 3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -21.856 14.727 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -21.863 13.692 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -17.924 12.314 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -17.915 13.494 2.893 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -19.030 13.708 4.264 1.00 0.00 H new ATOM 1098 N ILE A 69 -23.779 13.129 0.788 1.00 0.00 N ATOM 1099 CA ILE A 69 -24.756 13.878 -0.005 1.00 0.00 C ATOM 1100 C ILE A 69 -24.429 15.379 0.079 1.00 0.00 C ATOM 1101 O ILE A 69 -24.319 15.937 1.174 1.00 0.00 O ATOM 1102 CB ILE A 69 -26.227 13.601 0.486 1.00 0.00 C ATOM 1103 CG1 ILE A 69 -26.555 12.064 0.469 1.00 0.00 C ATOM 1104 CG2 ILE A 69 -27.262 14.393 -0.351 1.00 0.00 C ATOM 1105 CD1 ILE A 69 -26.402 11.372 -0.886 1.00 0.00 C ATOM 0 H ILE A 69 -24.133 12.826 1.695 1.00 0.00 H new ATOM 0 HA ILE A 69 -24.694 13.549 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 69 -26.295 13.948 1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -25.906 11.564 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.579 11.925 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -28.266 14.179 0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -27.063 15.461 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -27.186 14.098 -1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -26.652 10.316 -0.786 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.072 11.837 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -25.372 11.470 -1.230 1.00 0.00 H new ATOM 1117 N GLY A 70 -24.244 16.004 -1.091 1.00 0.00 N ATOM 1118 CA GLY A 70 -23.891 17.416 -1.180 1.00 0.00 C ATOM 1119 C GLY A 70 -22.396 17.673 -1.044 1.00 0.00 C ATOM 1120 O GLY A 70 -21.970 18.821 -1.040 1.00 0.00 O ATOM 0 H GLY A 70 -24.336 15.542 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -24.235 17.810 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -24.419 17.965 -0.401 1.00 0.00 H new ATOM 1124 N TYR A 71 -21.582 16.606 -0.943 1.00 0.00 N ATOM 1125 CA TYR A 71 -20.110 16.725 -0.841 1.00 0.00 C ATOM 1126 C TYR A 71 -19.447 15.700 -1.750 1.00 0.00 C ATOM 1127 O TYR A 71 -19.971 14.607 -1.952 1.00 0.00 O ATOM 1128 CB TYR A 71 -19.603 16.531 0.618 1.00 0.00 C ATOM 1129 CG TYR A 71 -20.053 17.629 1.589 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -21.333 17.620 2.147 1.00 0.00 C ATOM 1131 CD2 TYR A 71 -19.203 18.675 1.933 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -21.744 18.611 3.003 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -19.612 19.667 2.793 1.00 0.00 C ATOM 1134 CZ TYR A 71 -20.882 19.633 3.325 1.00 0.00 C ATOM 1135 OH TYR A 71 -21.288 20.621 4.191 1.00 0.00 O ATOM 0 H TYR A 71 -21.919 15.643 -0.930 1.00 0.00 H new ATOM 0 HA TYR A 71 -19.842 17.735 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -19.954 15.568 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -18.514 16.492 0.610 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -22.013 16.818 1.900 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -18.206 18.709 1.518 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -22.739 18.588 3.422 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -18.939 20.471 3.051 1.00 0.00 H new ATOM 0 HH TYR A 71 -20.561 21.267 4.314 1.00 0.00 H new ATOM 1145 N THR A 72 -18.265 16.049 -2.253 1.00 0.00 N ATOM 1146 CA THR A 72 -17.486 15.204 -3.159 1.00 0.00 C ATOM 1147 C THR A 72 -16.020 15.280 -2.728 1.00 0.00 C ATOM 1148 O THR A 72 -15.509 16.384 -2.489 1.00 0.00 O ATOM 1149 CB THR A 72 -17.645 15.676 -4.651 1.00 0.00 C ATOM 1150 OG1 THR A 72 -19.023 15.570 -5.042 1.00 0.00 O ATOM 1151 CG2 THR A 72 -16.780 14.857 -5.633 1.00 0.00 C ATOM 0 H THR A 72 -17.814 16.939 -2.041 1.00 0.00 H new ATOM 0 HA THR A 72 -17.846 14.177 -3.106 1.00 0.00 H new ATOM 0 HB THR A 72 -17.304 16.710 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 72 -19.123 15.865 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.931 15.228 -6.647 1.00 0.00 H new ATOM 0 HG22 THR A 72 -15.729 14.957 -5.363 1.00 0.00 H new ATOM 0 HG23 THR A 72 -17.069 13.807 -5.584 1.00 0.00 H new ATOM 1159 N ALA A 73 -15.367 14.114 -2.590 1.00 0.00 N ATOM 1160 CA ALA A 73 -13.936 14.034 -2.277 1.00 0.00 C ATOM 1161 C ALA A 73 -13.114 14.590 -3.445 1.00 0.00 C ATOM 1162 O ALA A 73 -13.472 14.389 -4.609 1.00 0.00 O ATOM 1163 CB ALA A 73 -13.525 12.590 -1.967 1.00 0.00 C ATOM 0 H ALA A 73 -15.817 13.205 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.740 14.636 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.460 12.556 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.092 12.226 -1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.730 11.960 -2.832 1.00 0.00 H new ATOM 1169 N ASP A 74 -12.007 15.270 -3.111 1.00 0.00 N ATOM 1170 CA ASP A 74 -11.090 15.854 -4.099 1.00 0.00 C ATOM 1171 C ASP A 74 -10.381 14.712 -4.854 1.00 0.00 C ATOM 1172 O ASP A 74 -10.074 14.818 -6.042 1.00 0.00 O ATOM 1173 CB ASP A 74 -10.076 16.801 -3.397 1.00 0.00 C ATOM 1174 CG ASP A 74 -9.182 17.576 -4.388 1.00 0.00 C ATOM 1175 OD1 ASP A 74 -9.664 18.552 -4.996 1.00 0.00 O ATOM 1176 OD2 ASP A 74 -8.008 17.210 -4.574 1.00 0.00 O ATOM 0 H ASP A 74 -11.722 15.430 -2.145 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.644 16.455 -4.820 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.622 17.512 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.444 16.216 -2.729 1.00 0.00 H new ATOM 1181 N LYS A 75 -10.174 13.601 -4.126 1.00 0.00 N ATOM 1182 CA LYS A 75 -9.709 12.330 -4.670 1.00 0.00 C ATOM 1183 C LYS A 75 -10.465 11.183 -3.966 1.00 0.00 C ATOM 1184 O LYS A 75 -10.142 10.819 -2.834 1.00 0.00 O ATOM 1185 CB LYS A 75 -8.150 12.174 -4.558 1.00 0.00 C ATOM 1186 CG LYS A 75 -7.524 12.341 -3.138 1.00 0.00 C ATOM 1187 CD LYS A 75 -7.401 13.805 -2.650 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.455 14.636 -3.526 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.072 14.115 -3.529 1.00 0.00 N ATOM 0 H LYS A 75 -10.332 13.570 -3.119 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.927 12.296 -5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.880 11.187 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.687 12.905 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.129 11.784 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.532 11.888 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.388 14.268 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.040 13.813 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.834 14.653 -4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.449 15.667 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.449 14.786 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.744 13.995 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.048 13.197 -4.017 1.00 0.00 H new ATOM 1203 N PRO A 76 -11.545 10.620 -4.601 1.00 0.00 N ATOM 1204 CA PRO A 76 -12.215 9.389 -4.095 1.00 0.00 C ATOM 1205 C PRO A 76 -11.366 8.111 -4.338 1.00 0.00 C ATOM 1206 O PRO A 76 -11.717 7.027 -3.862 1.00 0.00 O ATOM 1207 CB PRO A 76 -13.528 9.361 -4.912 1.00 0.00 C ATOM 1208 CG PRO A 76 -13.172 10.037 -6.200 1.00 0.00 C ATOM 1209 CD PRO A 76 -12.229 11.153 -5.813 1.00 0.00 C ATOM 0 HA PRO A 76 -12.370 9.404 -3.016 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.871 8.340 -5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.331 9.887 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.697 9.342 -6.892 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -14.059 10.426 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.520 11.375 -6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.766 12.077 -5.598 1.00 0.00 H new ATOM 1217 N MET A 77 -10.239 8.267 -5.063 1.00 0.00 N ATOM 1218 CA MET A 77 -9.294 7.186 -5.353 1.00 0.00 C ATOM 1219 C MET A 77 -7.866 7.720 -5.170 1.00 0.00 C ATOM 1220 O MET A 77 -7.473 8.689 -5.835 1.00 0.00 O ATOM 1221 CB MET A 77 -9.501 6.665 -6.794 1.00 0.00 C ATOM 1222 CG MET A 77 -8.679 5.423 -7.146 1.00 0.00 C ATOM 1223 SD MET A 77 -8.906 4.872 -8.849 1.00 0.00 S ATOM 1224 CE MET A 77 -10.695 4.798 -8.991 1.00 0.00 C ATOM 0 H MET A 77 -9.962 9.162 -5.466 1.00 0.00 H new ATOM 0 HA MET A 77 -9.462 6.354 -4.670 1.00 0.00 H new ATOM 0 HB2 MET A 77 -10.558 6.438 -6.936 1.00 0.00 H new ATOM 0 HB3 MET A 77 -9.249 7.462 -7.494 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.623 5.636 -6.979 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.952 4.612 -6.470 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.970 4.061 -9.746 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.125 4.512 -8.031 1.00 0.00 H new ATOM 0 HE3 MET A 77 -11.078 5.776 -9.283 1.00 0.00 H new ATOM 1234 N VAL A 78 -7.106 7.098 -4.257 1.00 0.00 N ATOM 1235 CA VAL A 78 -5.738 7.523 -3.905 1.00 0.00 C ATOM 1236 C VAL A 78 -4.750 6.401 -4.235 1.00 0.00 C ATOM 1237 O VAL A 78 -5.065 5.222 -4.040 1.00 0.00 O ATOM 1238 CB VAL A 78 -5.647 7.901 -2.384 1.00 0.00 C ATOM 1239 CG1 VAL A 78 -4.214 8.307 -1.971 1.00 0.00 C ATOM 1240 CG2 VAL A 78 -6.656 9.019 -2.042 1.00 0.00 C ATOM 0 H VAL A 78 -7.423 6.280 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.484 8.408 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.905 7.010 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.199 8.560 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.533 7.476 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.898 9.172 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.578 9.268 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.436 9.903 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.667 8.676 -2.261 1.00 0.00 H new ATOM 1250 N GLY A 79 -3.552 6.799 -4.711 1.00 0.00 N ATOM 1251 CA GLY A 79 -2.541 5.872 -5.209 1.00 0.00 C ATOM 1252 C GLY A 79 -3.053 5.017 -6.365 1.00 0.00 C ATOM 1253 O GLY A 79 -3.036 3.791 -6.258 1.00 0.00 O ATOM 0 H GLY A 79 -3.268 7.777 -4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.666 6.434 -5.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.216 5.222 -4.396 1.00 0.00 H new ATOM 1257 N PRO A 80 -3.529 5.631 -7.506 1.00 0.00 N ATOM 1258 CA PRO A 80 -4.079 4.876 -8.649 1.00 0.00 C ATOM 1259 C PRO A 80 -2.958 4.422 -9.612 1.00 0.00 C ATOM 1260 O PRO A 80 -2.990 4.693 -10.820 1.00 0.00 O ATOM 1261 CB PRO A 80 -5.037 5.914 -9.279 1.00 0.00 C ATOM 1262 CG PRO A 80 -4.355 7.238 -9.075 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.547 7.103 -7.790 1.00 0.00 C ATOM 0 HA PRO A 80 -4.580 3.946 -8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.199 5.711 -10.338 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.015 5.894 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.708 7.477 -9.919 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.084 8.044 -8.994 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.537 7.495 -7.914 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.007 7.659 -6.973 1.00 0.00 H new ATOM 1271 N ASP A 81 -1.990 3.675 -9.054 1.00 0.00 N ATOM 1272 CA ASP A 81 -0.786 3.249 -9.763 1.00 0.00 C ATOM 1273 C ASP A 81 -0.241 1.966 -9.122 1.00 0.00 C ATOM 1274 O ASP A 81 0.077 1.961 -7.933 1.00 0.00 O ATOM 1275 CB ASP A 81 0.283 4.367 -9.735 1.00 0.00 C ATOM 1276 CG ASP A 81 1.546 3.999 -10.526 1.00 0.00 C ATOM 1277 OD1 ASP A 81 1.465 3.871 -11.764 1.00 0.00 O ATOM 1278 OD2 ASP A 81 2.627 3.838 -9.919 1.00 0.00 O ATOM 0 H ASP A 81 -2.028 3.350 -8.088 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.037 3.048 -10.804 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.144 5.282 -10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 81 0.555 4.578 -8.701 1.00 0.00 H new ATOM 1283 N GLU A 82 -0.169 0.912 -9.950 1.00 0.00 N ATOM 1284 CA GLU A 82 0.360 -0.428 -9.590 1.00 0.00 C ATOM 1285 C GLU A 82 1.711 -0.312 -8.874 1.00 0.00 C ATOM 1286 O GLU A 82 2.641 0.308 -9.398 1.00 0.00 O ATOM 1287 CB GLU A 82 0.492 -1.334 -10.856 1.00 0.00 C ATOM 1288 CG GLU A 82 -0.842 -1.838 -11.450 1.00 0.00 C ATOM 1289 CD GLU A 82 -1.823 -0.717 -11.846 1.00 0.00 C ATOM 1290 OE1 GLU A 82 -1.667 -0.137 -12.937 1.00 0.00 O ATOM 1291 OE2 GLU A 82 -2.748 -0.407 -11.063 1.00 0.00 O ATOM 0 H GLU A 82 -0.485 0.962 -10.919 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.351 -0.893 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.026 -0.778 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.107 -2.198 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.628 -2.445 -12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.327 -2.489 -10.723 1.00 0.00 H new ATOM 1298 N VAL A 83 1.785 -0.876 -7.663 1.00 0.00 N ATOM 1299 CA VAL A 83 2.989 -0.817 -6.826 1.00 0.00 C ATOM 1300 C VAL A 83 3.909 -2.003 -7.117 1.00 0.00 C ATOM 1301 O VAL A 83 3.500 -3.148 -6.962 1.00 0.00 O ATOM 1302 CB VAL A 83 2.635 -0.804 -5.301 1.00 0.00 C ATOM 1303 CG1 VAL A 83 3.913 -0.765 -4.445 1.00 0.00 C ATOM 1304 CG2 VAL A 83 1.717 0.373 -4.954 1.00 0.00 C ATOM 0 H VAL A 83 1.012 -1.386 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 83 3.501 0.113 -7.072 1.00 0.00 H new ATOM 0 HB VAL A 83 2.098 -1.725 -5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.643 -0.756 -3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.520 -1.645 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.482 0.134 -4.681 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.489 0.355 -3.888 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.216 1.309 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.792 0.293 -5.524 1.00 0.00 H new ATOM 1314 N THR A 84 5.150 -1.717 -7.534 1.00 0.00 N ATOM 1315 CA THR A 84 6.200 -2.729 -7.682 1.00 0.00 C ATOM 1316 C THR A 84 7.199 -2.597 -6.512 1.00 0.00 C ATOM 1317 O THR A 84 7.885 -1.569 -6.390 1.00 0.00 O ATOM 1318 CB THR A 84 6.955 -2.565 -9.042 1.00 0.00 C ATOM 1319 OG1 THR A 84 6.011 -2.502 -10.121 1.00 0.00 O ATOM 1320 CG2 THR A 84 7.929 -3.727 -9.294 1.00 0.00 C ATOM 0 H THR A 84 5.453 -0.774 -7.778 1.00 0.00 H new ATOM 0 HA THR A 84 5.737 -3.716 -7.670 1.00 0.00 H new ATOM 0 HB THR A 84 7.529 -1.640 -8.990 1.00 0.00 H new ATOM 0 HG1 THR A 84 6.490 -2.398 -10.969 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.435 -3.578 -10.248 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.668 -3.763 -8.493 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.376 -4.666 -9.319 1.00 0.00 H new ATOM 1328 N VAL A 85 7.236 -3.604 -5.622 1.00 0.00 N ATOM 1329 CA VAL A 85 8.297 -3.732 -4.606 1.00 0.00 C ATOM 1330 C VAL A 85 9.319 -4.764 -5.112 1.00 0.00 C ATOM 1331 O VAL A 85 9.018 -5.955 -5.189 1.00 0.00 O ATOM 1332 CB VAL A 85 7.729 -4.151 -3.192 1.00 0.00 C ATOM 1333 CG1 VAL A 85 8.874 -4.377 -2.171 1.00 0.00 C ATOM 1334 CG2 VAL A 85 6.735 -3.087 -2.674 1.00 0.00 C ATOM 0 H VAL A 85 6.538 -4.347 -5.586 1.00 0.00 H new ATOM 0 HA VAL A 85 8.771 -2.761 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 85 7.197 -5.096 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.451 -4.664 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.530 -5.170 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.446 -3.456 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.353 -3.390 -1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.244 -2.128 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.906 -2.992 -3.375 1.00 0.00 H new ATOM 1344 N ASP A 86 10.516 -4.284 -5.483 1.00 0.00 N ATOM 1345 CA ASP A 86 11.649 -5.147 -5.872 1.00 0.00 C ATOM 1346 C ASP A 86 12.529 -5.345 -4.635 1.00 0.00 C ATOM 1347 O ASP A 86 12.375 -4.624 -3.649 1.00 0.00 O ATOM 1348 CB ASP A 86 12.442 -4.471 -7.027 1.00 0.00 C ATOM 1349 CG ASP A 86 13.514 -5.361 -7.707 1.00 0.00 C ATOM 1350 OD1 ASP A 86 14.632 -5.492 -7.171 1.00 0.00 O ATOM 1351 OD2 ASP A 86 13.246 -5.903 -8.798 1.00 0.00 O ATOM 0 H ASP A 86 10.729 -3.287 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 86 11.303 -6.117 -6.231 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.734 -4.140 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.930 -3.578 -6.636 1.00 0.00 H new ATOM 1356 N SER A 87 13.451 -6.309 -4.699 1.00 0.00 N ATOM 1357 CA SER A 87 14.444 -6.554 -3.634 1.00 0.00 C ATOM 1358 C SER A 87 15.298 -5.290 -3.343 1.00 0.00 C ATOM 1359 O SER A 87 15.664 -5.031 -2.193 1.00 0.00 O ATOM 1360 CB SER A 87 15.345 -7.733 -4.038 1.00 0.00 C ATOM 1361 OG SER A 87 14.567 -8.887 -4.318 1.00 0.00 O ATOM 0 H SER A 87 13.535 -6.947 -5.491 1.00 0.00 H new ATOM 0 HA SER A 87 13.910 -6.800 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.933 -7.463 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 87 16.050 -7.950 -3.236 1.00 0.00 H new ATOM 0 HG SER A 87 15.130 -9.564 -4.748 1.00 0.00 H new ATOM 1367 N LYS A 88 15.562 -4.498 -4.407 1.00 0.00 N ATOM 1368 CA LYS A 88 16.382 -3.264 -4.335 1.00 0.00 C ATOM 1369 C LYS A 88 15.685 -2.162 -3.511 1.00 0.00 C ATOM 1370 O LYS A 88 16.351 -1.392 -2.812 1.00 0.00 O ATOM 1371 CB LYS A 88 16.701 -2.736 -5.764 1.00 0.00 C ATOM 1372 CG LYS A 88 15.477 -2.238 -6.578 1.00 0.00 C ATOM 1373 CD LYS A 88 15.803 -1.925 -8.058 1.00 0.00 C ATOM 1374 CE LYS A 88 16.910 -0.870 -8.229 1.00 0.00 C ATOM 1375 NZ LYS A 88 17.193 -0.578 -9.662 1.00 0.00 N ATOM 0 H LYS A 88 15.211 -4.696 -5.344 1.00 0.00 H new ATOM 0 HA LYS A 88 17.313 -3.522 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 88 17.417 -1.918 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.191 -3.531 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.693 -2.995 -6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 88 15.077 -1.341 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 88 16.107 -2.845 -8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.898 -1.576 -8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.614 0.050 -7.724 1.00 0.00 H new ATOM 0 HE3 LYS A 88 17.821 -1.220 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.945 0.138 -9.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.501 -1.449 -10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.331 -0.218 -10.120 1.00 0.00 H new ATOM 1389 N ASN A 89 14.345 -2.088 -3.631 1.00 0.00 N ATOM 1390 CA ASN A 89 13.509 -1.093 -2.929 1.00 0.00 C ATOM 1391 C ASN A 89 12.563 -1.799 -1.949 1.00 0.00 C ATOM 1392 O ASN A 89 11.482 -1.281 -1.626 1.00 0.00 O ATOM 1393 CB ASN A 89 12.734 -0.213 -3.953 1.00 0.00 C ATOM 1394 CG ASN A 89 11.760 -0.989 -4.854 1.00 0.00 C ATOM 1395 OD1 ASN A 89 12.150 -1.507 -5.889 1.00 0.00 O ATOM 1396 ND2 ASN A 89 10.492 -1.045 -4.474 1.00 0.00 N ATOM 0 H ASN A 89 13.808 -2.722 -4.222 1.00 0.00 H new ATOM 0 HA ASN A 89 14.151 -0.428 -2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 89 12.176 0.549 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 89 13.455 0.308 -4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.807 -1.532 -5.052 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.201 -0.601 -3.603 1.00 0.00 H new ATOM 1403 N PHE A 90 12.993 -2.979 -1.462 1.00 0.00 N ATOM 1404 CA PHE A 90 12.207 -3.806 -0.523 1.00 0.00 C ATOM 1405 C PHE A 90 12.008 -3.092 0.820 1.00 0.00 C ATOM 1406 O PHE A 90 10.954 -3.192 1.424 1.00 0.00 O ATOM 1407 CB PHE A 90 12.875 -5.192 -0.309 1.00 0.00 C ATOM 1408 CG PHE A 90 12.040 -6.129 0.571 1.00 0.00 C ATOM 1409 CD1 PHE A 90 11.023 -6.910 0.019 1.00 0.00 C ATOM 1410 CD2 PHE A 90 12.244 -6.190 1.951 1.00 0.00 C ATOM 1411 CE1 PHE A 90 10.245 -7.717 0.819 1.00 0.00 C ATOM 1412 CE2 PHE A 90 11.464 -6.998 2.743 1.00 0.00 C ATOM 1413 CZ PHE A 90 10.465 -7.757 2.179 1.00 0.00 C ATOM 0 H PHE A 90 13.895 -3.387 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 90 11.225 -3.963 -0.969 1.00 0.00 H new ATOM 0 HB2 PHE A 90 13.040 -5.663 -1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 90 13.855 -5.051 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.845 -6.881 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 90 13.024 -5.595 2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.462 -8.319 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 90 11.635 -7.037 3.809 1.00 0.00 H new ATOM 0 HZ PHE A 90 9.850 -8.387 2.805 1.00 0.00 H new ATOM 1423 N LEU A 91 13.032 -2.363 1.269 1.00 0.00 N ATOM 1424 CA LEU A 91 12.990 -1.650 2.555 1.00 0.00 C ATOM 1425 C LEU A 91 12.188 -0.336 2.424 1.00 0.00 C ATOM 1426 O LEU A 91 11.936 0.338 3.425 1.00 0.00 O ATOM 1427 CB LEU A 91 14.429 -1.379 3.089 1.00 0.00 C ATOM 1428 CG LEU A 91 15.294 -2.635 3.496 1.00 0.00 C ATOM 1429 CD1 LEU A 91 14.531 -3.554 4.490 1.00 0.00 C ATOM 1430 CD2 LEU A 91 15.806 -3.438 2.262 1.00 0.00 C ATOM 0 H LEU A 91 13.908 -2.248 0.759 1.00 0.00 H new ATOM 0 HA LEU A 91 12.481 -2.285 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.975 -0.826 2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.350 -0.727 3.959 1.00 0.00 H new ATOM 0 HG LEU A 91 16.177 -2.249 4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 91 15.156 -4.409 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 91 14.291 -2.993 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.609 -3.906 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 91 16.395 -4.290 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.955 -3.793 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.427 -2.793 1.640 1.00 0.00 H new ATOM 1442 N ASP A 92 11.783 0.018 1.179 1.00 0.00 N ATOM 1443 CA ASP A 92 10.986 1.227 0.909 1.00 0.00 C ATOM 1444 C ASP A 92 9.474 0.906 0.915 1.00 0.00 C ATOM 1445 O ASP A 92 9.025 -0.079 0.316 1.00 0.00 O ATOM 1446 CB ASP A 92 11.388 1.888 -0.432 1.00 0.00 C ATOM 1447 CG ASP A 92 10.637 3.202 -0.717 1.00 0.00 C ATOM 1448 OD1 ASP A 92 10.505 4.036 0.201 1.00 0.00 O ATOM 1449 OD2 ASP A 92 10.193 3.424 -1.854 1.00 0.00 O ATOM 0 H ASP A 92 12.001 -0.526 0.344 1.00 0.00 H new ATOM 0 HA ASP A 92 11.195 1.936 1.710 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.460 2.086 -0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.199 1.187 -1.245 1.00 0.00 H new ATOM 1454 N LYS A 93 8.713 1.789 1.585 1.00 0.00 N ATOM 1455 CA LYS A 93 7.250 1.654 1.803 1.00 0.00 C ATOM 1456 C LYS A 93 6.441 2.377 0.710 1.00 0.00 C ATOM 1457 O LYS A 93 5.269 2.048 0.479 1.00 0.00 O ATOM 1458 CB LYS A 93 6.904 2.219 3.205 1.00 0.00 C ATOM 1459 CG LYS A 93 7.380 3.672 3.443 1.00 0.00 C ATOM 1460 CD LYS A 93 7.236 4.172 4.906 1.00 0.00 C ATOM 1461 CE LYS A 93 5.789 4.492 5.325 1.00 0.00 C ATOM 1462 NZ LYS A 93 4.904 3.307 5.365 1.00 0.00 N ATOM 0 H LYS A 93 9.100 2.636 2.001 1.00 0.00 H new ATOM 0 HA LYS A 93 6.980 0.599 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.824 2.176 3.344 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.349 1.575 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.427 3.750 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.815 4.336 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.638 3.414 5.578 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.846 5.067 5.034 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.800 4.959 6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.372 5.222 4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.210 3.418 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 4.405 3.215 4.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.474 2.454 5.535 1.00 0.00 H new ATOM 1476 N GLN A 94 7.082 3.407 0.105 1.00 0.00 N ATOM 1477 CA GLN A 94 6.634 4.183 -1.095 1.00 0.00 C ATOM 1478 C GLN A 94 5.202 4.762 -1.034 1.00 0.00 C ATOM 1479 O GLN A 94 4.709 5.279 -2.035 1.00 0.00 O ATOM 1480 CB GLN A 94 6.913 3.417 -2.434 1.00 0.00 C ATOM 1481 CG GLN A 94 6.292 2.019 -2.590 1.00 0.00 C ATOM 1482 CD GLN A 94 6.783 1.281 -3.833 1.00 0.00 C ATOM 1483 OE1 GLN A 94 6.954 -0.020 -3.722 1.00 0.00 O flip ATOM 1484 NE2 GLN A 94 7.048 1.883 -4.868 1.00 0.00 N flip ATOM 0 H GLN A 94 7.978 3.744 0.456 1.00 0.00 H new ATOM 0 HA GLN A 94 7.265 5.071 -1.076 1.00 0.00 H new ATOM 0 HB2 GLN A 94 6.559 4.037 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 94 7.993 3.321 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.524 1.424 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.207 2.113 -2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.904 2.891 -4.923 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.412 1.375 -5.674 1.00 0.00 H new ATOM 1493 N ASN A 95 4.581 4.748 0.154 1.00 0.00 N ATOM 1494 CA ASN A 95 3.247 5.332 0.395 1.00 0.00 C ATOM 1495 C ASN A 95 3.149 5.790 1.843 1.00 0.00 C ATOM 1496 O ASN A 95 3.825 5.251 2.733 1.00 0.00 O ATOM 1497 CB ASN A 95 2.105 4.352 0.028 1.00 0.00 C ATOM 1498 CG ASN A 95 1.716 4.419 -1.458 1.00 0.00 C ATOM 1499 OD1 ASN A 95 2.252 3.690 -2.297 1.00 0.00 O ATOM 1500 ND2 ASN A 95 0.785 5.302 -1.794 1.00 0.00 N ATOM 0 H ASN A 95 4.993 4.327 0.987 1.00 0.00 H new ATOM 0 HA ASN A 95 3.126 6.195 -0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 95 2.412 3.335 0.273 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.230 4.576 0.638 1.00 0.00 H new ATOM 0 HD21 ASN A 95 0.495 5.392 -2.768 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.359 5.891 -1.079 1.00 0.00 H new ATOM 1507 N ARG A 96 2.284 6.788 2.055 1.00 0.00 N ATOM 1508 CA ARG A 96 2.205 7.575 3.303 1.00 0.00 C ATOM 1509 C ARG A 96 0.744 7.868 3.672 1.00 0.00 C ATOM 1510 O ARG A 96 -0.167 7.153 3.247 1.00 0.00 O ATOM 1511 CB ARG A 96 2.992 8.911 3.141 1.00 0.00 C ATOM 1512 CG ARG A 96 4.523 8.777 3.047 1.00 0.00 C ATOM 1513 CD ARG A 96 5.142 8.049 4.257 1.00 0.00 C ATOM 1514 NE ARG A 96 4.940 8.774 5.536 1.00 0.00 N ATOM 1515 CZ ARG A 96 4.182 8.360 6.575 1.00 0.00 C ATOM 1516 NH1 ARG A 96 3.521 7.215 6.522 1.00 0.00 N ATOM 1517 NH2 ARG A 96 4.103 9.107 7.660 1.00 0.00 N ATOM 0 H ARG A 96 1.604 7.081 1.354 1.00 0.00 H new ATOM 0 HA ARG A 96 2.652 6.990 4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.634 9.416 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.753 9.557 3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 96 4.779 8.237 2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.964 9.770 2.963 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.705 7.054 4.337 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.210 7.916 4.086 1.00 0.00 H new ATOM 0 HE ARG A 96 5.418 9.669 5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.579 6.631 5.688 1.00 0.00 H new ATOM 0 HH12 ARG A 96 2.953 6.917 7.315 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.612 9.990 7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.533 8.802 8.449 1.00 0.00 H new ATOM 1531 N GLU A 97 0.540 8.906 4.515 1.00 0.00 N ATOM 1532 CA GLU A 97 -0.788 9.389 4.886 1.00 0.00 C ATOM 1533 C GLU A 97 -1.222 10.494 3.900 1.00 0.00 C ATOM 1534 O GLU A 97 -0.624 11.574 3.871 1.00 0.00 O ATOM 1535 CB GLU A 97 -0.749 9.891 6.363 1.00 0.00 C ATOM 1536 CG GLU A 97 -2.121 10.173 7.031 1.00 0.00 C ATOM 1537 CD GLU A 97 -2.837 11.445 6.538 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -2.405 12.552 6.911 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -3.831 11.343 5.795 1.00 0.00 O ATOM 0 H GLU A 97 1.301 9.426 4.952 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.526 8.589 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.223 9.148 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.157 10.806 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.774 9.317 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.974 10.251 8.108 1.00 0.00 H new ATOM 1546 N GLU A 98 -2.259 10.196 3.090 1.00 0.00 N ATOM 1547 CA GLU A 98 -2.887 11.156 2.160 1.00 0.00 C ATOM 1548 C GLU A 98 -4.324 11.472 2.631 1.00 0.00 C ATOM 1549 O GLU A 98 -5.117 10.567 2.853 1.00 0.00 O ATOM 1550 CB GLU A 98 -2.904 10.591 0.703 1.00 0.00 C ATOM 1551 CG GLU A 98 -1.587 10.744 -0.105 1.00 0.00 C ATOM 1552 CD GLU A 98 -0.353 10.029 0.487 1.00 0.00 C ATOM 1553 OE1 GLU A 98 -0.229 8.794 0.325 1.00 0.00 O ATOM 1554 OE2 GLU A 98 0.514 10.703 1.093 1.00 0.00 O ATOM 0 H GLU A 98 -2.688 9.271 3.063 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.300 12.074 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.157 9.532 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.704 11.086 0.152 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -1.755 10.366 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.360 11.806 -0.197 1.00 0.00 H new ATOM 1561 N THR A 99 -4.620 12.757 2.815 1.00 0.00 N ATOM 1562 CA THR A 99 -5.950 13.233 3.195 1.00 0.00 C ATOM 1563 C THR A 99 -6.776 13.549 1.933 1.00 0.00 C ATOM 1564 O THR A 99 -6.264 14.171 1.003 1.00 0.00 O ATOM 1565 CB THR A 99 -5.835 14.500 4.101 1.00 0.00 C ATOM 1566 OG1 THR A 99 -5.052 14.180 5.262 1.00 0.00 O ATOM 1567 CG2 THR A 99 -7.218 15.030 4.544 1.00 0.00 C ATOM 0 H THR A 99 -3.936 13.506 2.703 1.00 0.00 H new ATOM 0 HA THR A 99 -6.456 12.450 3.760 1.00 0.00 H new ATOM 0 HB THR A 99 -5.355 15.285 3.517 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.817 13.229 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 99 -7.086 15.911 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.805 15.296 3.665 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.740 14.257 5.108 1.00 0.00 H new ATOM 1575 N VAL A 100 -8.037 13.079 1.894 1.00 0.00 N ATOM 1576 CA VAL A 100 -9.012 13.454 0.840 1.00 0.00 C ATOM 1577 C VAL A 100 -9.959 14.534 1.408 1.00 0.00 C ATOM 1578 O VAL A 100 -10.292 14.512 2.611 1.00 0.00 O ATOM 1579 CB VAL A 100 -9.835 12.218 0.289 1.00 0.00 C ATOM 1580 CG1 VAL A 100 -8.940 10.962 0.148 1.00 0.00 C ATOM 1581 CG2 VAL A 100 -11.090 11.909 1.126 1.00 0.00 C ATOM 0 H VAL A 100 -8.412 12.431 2.587 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.456 13.844 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.185 12.505 -0.703 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.535 10.132 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.125 11.172 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.529 10.697 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.611 11.052 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.797 11.681 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.752 12.775 1.122 1.00 0.00 H new ATOM 1591 N ILE A 101 -10.371 15.485 0.555 1.00 0.00 N ATOM 1592 CA ILE A 101 -11.192 16.638 0.976 1.00 0.00 C ATOM 1593 C ILE A 101 -12.594 16.598 0.339 1.00 0.00 C ATOM 1594 O ILE A 101 -12.742 16.751 -0.874 1.00 0.00 O ATOM 1595 CB ILE A 101 -10.459 17.993 0.639 1.00 0.00 C ATOM 1596 CG1 ILE A 101 -9.127 18.120 1.454 1.00 0.00 C ATOM 1597 CG2 ILE A 101 -11.371 19.210 0.886 1.00 0.00 C ATOM 1598 CD1 ILE A 101 -9.279 18.064 2.977 1.00 0.00 C ATOM 0 H ILE A 101 -10.148 15.480 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.323 16.576 2.056 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.214 17.979 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -8.454 17.321 1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.647 19.062 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -10.831 20.125 0.643 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -12.258 19.134 0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.671 19.233 1.934 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -8.299 18.161 3.444 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.921 18.880 3.309 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.725 17.112 3.263 1.00 0.00 H new ATOM 1610 N TYR A 102 -13.605 16.375 1.191 1.00 0.00 N ATOM 1611 CA TYR A 102 -15.023 16.442 0.833 1.00 0.00 C ATOM 1612 C TYR A 102 -15.485 17.893 0.880 1.00 0.00 C ATOM 1613 O TYR A 102 -15.680 18.459 1.958 1.00 0.00 O ATOM 1614 CB TYR A 102 -15.873 15.571 1.793 1.00 0.00 C ATOM 1615 CG TYR A 102 -15.642 14.071 1.616 1.00 0.00 C ATOM 1616 CD1 TYR A 102 -16.382 13.347 0.685 1.00 0.00 C ATOM 1617 CD2 TYR A 102 -14.676 13.388 2.359 1.00 0.00 C ATOM 1618 CE1 TYR A 102 -16.161 12.007 0.496 1.00 0.00 C ATOM 1619 CE2 TYR A 102 -14.461 12.041 2.173 1.00 0.00 C ATOM 1620 CZ TYR A 102 -15.204 11.360 1.243 1.00 0.00 C ATOM 1621 OH TYR A 102 -14.969 10.032 1.036 1.00 0.00 O ATOM 0 H TYR A 102 -13.452 16.138 2.171 1.00 0.00 H new ATOM 0 HA TYR A 102 -15.155 16.053 -0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -15.643 15.848 2.822 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -16.929 15.790 1.632 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -17.141 13.848 0.103 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -14.089 13.925 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -16.736 11.461 -0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -13.713 11.524 2.755 1.00 0.00 H new ATOM 0 HH TYR A 102 -15.809 9.583 0.806 1.00 0.00 H new ATOM 1631 N SER A 103 -15.672 18.492 -0.286 1.00 0.00 N ATOM 1632 CA SER A 103 -16.082 19.890 -0.394 1.00 0.00 C ATOM 1633 C SER A 103 -17.504 19.947 -0.931 1.00 0.00 C ATOM 1634 O SER A 103 -17.899 19.078 -1.722 1.00 0.00 O ATOM 1635 CB SER A 103 -15.097 20.656 -1.293 1.00 0.00 C ATOM 1636 OG SER A 103 -14.854 19.970 -2.508 1.00 0.00 O ATOM 0 H SER A 103 -15.545 18.027 -1.185 1.00 0.00 H new ATOM 0 HA SER A 103 -16.066 20.368 0.586 1.00 0.00 H new ATOM 0 HB2 SER A 103 -15.496 21.647 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 103 -14.156 20.800 -0.762 1.00 0.00 H new ATOM 0 HG SER A 103 -14.225 20.486 -3.055 1.00 0.00 H new ATOM 1642 N ALA A 104 -18.264 20.949 -0.462 1.00 0.00 N ATOM 1643 CA ALA A 104 -19.660 21.156 -0.846 1.00 0.00 C ATOM 1644 C ALA A 104 -19.766 21.357 -2.366 1.00 0.00 C ATOM 1645 O ALA A 104 -19.383 22.406 -2.884 1.00 0.00 O ATOM 1646 CB ALA A 104 -20.243 22.348 -0.065 1.00 0.00 C ATOM 0 H ALA A 104 -17.918 21.643 0.201 1.00 0.00 H new ATOM 0 HA ALA A 104 -20.246 20.273 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -21.283 22.499 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -20.190 22.143 1.004 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -19.670 23.247 -0.292 1.00 0.00 H new ATOM 1652 N ASN A 105 -20.237 20.303 -3.059 1.00 0.00 N ATOM 1653 CA ASN A 105 -20.329 20.260 -4.528 1.00 0.00 C ATOM 1654 C ASN A 105 -21.445 21.185 -5.058 1.00 0.00 C ATOM 1655 O ASN A 105 -22.191 21.784 -4.281 1.00 0.00 O ATOM 1656 CB ASN A 105 -20.529 18.786 -4.995 1.00 0.00 C ATOM 1657 CG ASN A 105 -21.778 18.088 -4.429 1.00 0.00 C ATOM 1658 OD1 ASN A 105 -22.802 18.713 -4.154 1.00 0.00 O ATOM 1659 ND2 ASN A 105 -21.695 16.781 -4.232 1.00 0.00 N ATOM 0 H ASN A 105 -20.567 19.449 -2.609 1.00 0.00 H new ATOM 0 HA ASN A 105 -19.396 20.635 -4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -20.584 18.770 -6.083 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -19.649 18.209 -4.712 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.490 16.272 -3.845 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -20.836 16.283 -4.467 1.00 0.00 H new