USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 901 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 CYS SG : rot 14:sc= -1.15 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 10 SER OG : rot 30:sc= -1.5 USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= -0.28 (180deg=-1.08) USER MOD Single : A 14 ASN : amide:sc= -0.0247 K(o=-0.025,f=-0.79) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 65:sc= 0.727 USER MOD Single : A 25 CYS SG : rot 63:sc= -3.47! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -167:sc= 1.83 USER MOD Single : A 30 THR OG1 : rot -177:sc= -3.26! USER MOD Single : A 37 HIS : no HE2:sc= -10.9! C(o=-11!,f=-13!) USER MOD Single : A 41 GLN : amide:sc= -1.42 K(o=-1.4,f=-2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.52) USER MOD Single : A 48 CYS SG : rot 67:sc= 0.00138 USER MOD Single : A 53 SER OG : rot -73:sc= -0.612! USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.1 F(o=-0.83,f=-0.1) USER MOD Single : A 65 SER OG : rot 180:sc= -0.822 USER MOD Single : A 67 GLN : amide:sc=-0.00295 X(o=-0.003,f=-0.0065) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -126:sc= 0.836 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.255 USER MOD Single : A 94 LYS NZ :NH3+ 169:sc= 0.0841 (180deg=0.0571) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 MET CE :methyl 161:sc= -1.35 (180deg=-1.66) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 CYS SG : rot -137:sc= -1.01 USER MOD Single : A 117 HIS :FLIP no HD1:sc= -0.318 F(o=-1.3,f=-0.32) USER MOD Single : A 122 MET CE :methyl 147:sc= -0.499 (180deg=-2.11!) USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 0.688 2.574 -18.590 1.00 0.00 N ATOM 59 CA VAL A 4 1.589 3.639 -18.168 1.00 0.00 C ATOM 60 C VAL A 4 1.608 4.785 -19.174 1.00 0.00 C ATOM 61 O VAL A 4 1.665 4.568 -20.385 1.00 0.00 O ATOM 62 CB VAL A 4 3.026 3.121 -17.974 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.138 2.324 -16.682 1.00 0.00 C ATOM 64 CG2 VAL A 4 3.461 2.282 -19.166 1.00 0.00 C ATOM 0 HA VAL A 4 1.209 4.005 -17.214 1.00 0.00 H new ATOM 0 HB VAL A 4 3.693 3.980 -17.903 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.161 1.966 -16.563 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.875 2.961 -15.838 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.458 1.473 -16.719 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.479 1.926 -19.008 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.791 1.429 -19.274 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.425 2.889 -20.071 1.00 0.00 H new ATOM 74 N VAL A 5 1.566 6.005 -18.656 1.00 0.00 N ATOM 75 CA VAL A 5 1.583 7.203 -19.486 1.00 0.00 C ATOM 76 C VAL A 5 3.006 7.731 -19.647 1.00 0.00 C ATOM 77 O VAL A 5 3.842 7.541 -18.764 1.00 0.00 O ATOM 78 CB VAL A 5 0.698 8.314 -18.892 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.765 7.897 -18.903 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.151 8.660 -17.482 1.00 0.00 C ATOM 0 H VAL A 5 1.519 6.192 -17.654 1.00 0.00 H new ATOM 0 HA VAL A 5 1.186 6.921 -20.461 1.00 0.00 H new ATOM 0 HB VAL A 5 0.801 9.205 -19.511 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.374 8.695 -18.479 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.081 7.705 -19.928 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.890 6.991 -18.309 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.514 9.447 -17.078 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.080 7.775 -16.850 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.184 9.006 -17.506 1.00 0.00 H new ATOM 90 N PRO A 6 3.300 8.402 -20.780 1.00 0.00 N ATOM 91 CA PRO A 6 4.624 8.962 -21.060 1.00 0.00 C ATOM 92 C PRO A 6 5.342 9.447 -19.803 1.00 0.00 C ATOM 93 O PRO A 6 6.557 9.305 -19.674 1.00 0.00 O ATOM 94 CB PRO A 6 4.289 10.127 -21.983 1.00 0.00 C ATOM 95 CG PRO A 6 3.101 9.660 -22.760 1.00 0.00 C ATOM 96 CD PRO A 6 2.358 8.676 -21.882 1.00 0.00 C ATOM 0 HA PRO A 6 5.308 8.229 -21.488 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.062 11.030 -21.416 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.125 10.365 -22.641 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.460 10.500 -23.026 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.411 9.188 -23.692 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.423 9.097 -21.513 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.105 7.766 -22.427 1.00 0.00 H new ATOM 104 N ASP A 7 4.575 9.999 -18.869 1.00 0.00 N ATOM 105 CA ASP A 7 5.119 10.481 -17.616 1.00 0.00 C ATOM 106 C ASP A 7 4.216 10.041 -16.471 1.00 0.00 C ATOM 107 O ASP A 7 3.254 10.720 -16.118 1.00 0.00 O ATOM 108 CB ASP A 7 5.267 12.002 -17.640 1.00 0.00 C ATOM 109 CG ASP A 7 6.409 12.458 -18.527 1.00 0.00 C ATOM 110 OD1 ASP A 7 7.341 11.658 -18.753 1.00 0.00 O ATOM 111 OD2 ASP A 7 6.371 13.615 -18.996 1.00 0.00 O ATOM 0 H ASP A 7 3.567 10.122 -18.963 1.00 0.00 H new ATOM 0 HA ASP A 7 6.112 10.056 -17.469 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.337 12.449 -17.991 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.432 12.364 -16.625 1.00 0.00 H new ATOM 116 N GLN A 8 4.532 8.887 -15.909 1.00 0.00 N ATOM 117 CA GLN A 8 3.761 8.327 -14.811 1.00 0.00 C ATOM 118 C GLN A 8 3.793 9.271 -13.627 1.00 0.00 C ATOM 119 O GLN A 8 2.770 9.538 -12.995 1.00 0.00 O ATOM 120 CB GLN A 8 4.314 6.957 -14.417 1.00 0.00 C ATOM 121 CG GLN A 8 4.093 5.888 -15.474 1.00 0.00 C ATOM 122 CD GLN A 8 5.248 4.911 -15.567 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.332 3.955 -14.796 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.148 5.148 -16.515 1.00 0.00 N ATOM 0 H GLN A 8 5.325 8.314 -16.198 1.00 0.00 H new ATOM 0 HA GLN A 8 2.727 8.200 -15.133 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.382 7.048 -14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.845 6.639 -13.486 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.178 5.342 -15.247 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.947 6.365 -16.443 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.039 5.953 -17.132 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.948 4.525 -16.626 1.00 0.00 H new ATOM 133 N ARG A 9 4.975 9.800 -13.352 1.00 0.00 N ATOM 134 CA ARG A 9 5.145 10.747 -12.268 1.00 0.00 C ATOM 135 C ARG A 9 4.403 12.029 -12.590 1.00 0.00 C ATOM 136 O ARG A 9 4.021 12.771 -11.692 1.00 0.00 O ATOM 137 CB ARG A 9 6.627 11.039 -12.030 1.00 0.00 C ATOM 138 CG ARG A 9 7.339 11.605 -13.248 1.00 0.00 C ATOM 139 CD ARG A 9 8.836 11.346 -13.185 1.00 0.00 C ATOM 140 NE ARG A 9 9.444 11.321 -14.514 1.00 0.00 N ATOM 141 CZ ARG A 9 10.634 10.784 -14.774 1.00 0.00 C ATOM 142 NH1 ARG A 9 11.347 10.230 -13.802 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.113 10.803 -16.011 1.00 0.00 N ATOM 0 H ARG A 9 5.830 9.588 -13.867 1.00 0.00 H new ATOM 0 HA ARG A 9 4.734 10.313 -11.356 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.722 11.744 -11.204 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.125 10.119 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.928 11.157 -14.153 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.156 12.678 -13.313 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.313 12.119 -12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.019 10.395 -12.685 1.00 0.00 H new ATOM 0 HE ARG A 9 8.926 11.739 -15.287 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.984 10.214 -12.849 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.258 9.820 -14.008 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.570 11.229 -16.762 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.025 10.392 -16.211 1.00 0.00 H new ATOM 157 N SER A 10 4.193 12.285 -13.878 1.00 0.00 N ATOM 158 CA SER A 10 3.480 13.488 -14.288 1.00 0.00 C ATOM 159 C SER A 10 2.048 13.454 -13.776 1.00 0.00 C ATOM 160 O SER A 10 1.478 14.488 -13.427 1.00 0.00 O ATOM 161 CB SER A 10 3.489 13.648 -15.812 1.00 0.00 C ATOM 162 OG SER A 10 4.640 14.354 -16.247 1.00 0.00 O ATOM 0 H SER A 10 4.501 11.686 -14.644 1.00 0.00 H new ATOM 0 HA SER A 10 3.995 14.345 -13.854 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.462 12.666 -16.284 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.592 14.179 -16.130 1.00 0.00 H new ATOM 0 HG SER A 10 5.381 14.184 -15.629 1.00 0.00 H new ATOM 168 N LYS A 11 1.471 12.260 -13.725 1.00 0.00 N ATOM 169 CA LYS A 11 0.106 12.100 -13.245 1.00 0.00 C ATOM 170 C LYS A 11 0.075 11.998 -11.738 1.00 0.00 C ATOM 171 O LYS A 11 -0.744 12.633 -11.085 1.00 0.00 O ATOM 172 CB LYS A 11 -0.552 10.873 -13.879 1.00 0.00 C ATOM 173 CG LYS A 11 -0.404 10.815 -15.390 1.00 0.00 C ATOM 174 CD LYS A 11 -1.112 11.979 -16.065 1.00 0.00 C ATOM 175 CE LYS A 11 -0.309 12.520 -17.237 1.00 0.00 C ATOM 176 NZ LYS A 11 0.202 13.894 -16.973 1.00 0.00 N ATOM 0 H LYS A 11 1.925 11.392 -14.009 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.460 12.983 -13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.117 9.973 -13.445 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.612 10.868 -13.626 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.654 10.829 -15.654 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.813 9.875 -15.761 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.093 11.656 -16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.278 12.775 -15.339 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.529 11.854 -17.441 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.933 12.530 -18.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.030 14.078 -17.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.542 14.588 -17.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.476 13.976 -15.973 1.00 0.00 H new ATOM 190 N PHE A 12 0.983 11.225 -11.179 1.00 0.00 N ATOM 191 CA PHE A 12 1.048 11.089 -9.748 1.00 0.00 C ATOM 192 C PHE A 12 1.457 12.428 -9.132 1.00 0.00 C ATOM 193 O PHE A 12 1.217 12.678 -7.951 1.00 0.00 O ATOM 194 CB PHE A 12 2.018 9.954 -9.384 1.00 0.00 C ATOM 195 CG PHE A 12 2.744 10.141 -8.087 1.00 0.00 C ATOM 196 CD1 PHE A 12 3.797 11.026 -8.006 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.375 9.427 -6.959 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.479 11.204 -6.816 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.049 9.597 -5.765 1.00 0.00 C ATOM 200 CZ PHE A 12 4.105 10.488 -5.694 1.00 0.00 C ATOM 0 H PHE A 12 1.680 10.687 -11.694 1.00 0.00 H new ATOM 0 HA PHE A 12 0.072 10.824 -9.342 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.461 9.018 -9.341 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.752 9.851 -10.184 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.093 11.586 -8.881 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.552 8.730 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.302 11.901 -6.763 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.753 9.037 -4.891 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.636 10.624 -4.764 1.00 0.00 H new ATOM 210 N GLU A 13 2.081 13.286 -9.947 1.00 0.00 N ATOM 211 CA GLU A 13 2.524 14.598 -9.477 1.00 0.00 C ATOM 212 C GLU A 13 1.565 15.728 -9.870 1.00 0.00 C ATOM 213 O GLU A 13 1.498 16.751 -9.189 1.00 0.00 O ATOM 214 CB GLU A 13 3.934 14.908 -9.998 1.00 0.00 C ATOM 215 CG GLU A 13 3.968 15.427 -11.429 1.00 0.00 C ATOM 216 CD GLU A 13 4.280 16.910 -11.506 1.00 0.00 C ATOM 217 OE1 GLU A 13 4.115 17.605 -10.483 1.00 0.00 O ATOM 218 OE2 GLU A 13 4.690 17.374 -12.591 1.00 0.00 O ATOM 0 H GLU A 13 2.288 13.095 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 13 2.536 14.548 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.397 15.647 -9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.539 14.004 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.717 14.872 -11.995 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.005 15.237 -11.903 1.00 0.00 H new ATOM 225 N ASN A 14 0.859 15.566 -10.990 1.00 0.00 N ATOM 226 CA ASN A 14 -0.048 16.612 -11.473 1.00 0.00 C ATOM 227 C ASN A 14 -1.521 16.308 -11.199 1.00 0.00 C ATOM 228 O ASN A 14 -2.361 17.206 -11.269 1.00 0.00 O ATOM 229 CB ASN A 14 0.158 16.829 -12.973 1.00 0.00 C ATOM 230 CG ASN A 14 -0.327 18.190 -13.432 1.00 0.00 C ATOM 231 OD1 ASN A 14 -0.182 19.185 -12.723 1.00 0.00 O ATOM 232 ND2 ASN A 14 -0.908 18.240 -14.625 1.00 0.00 N ATOM 0 H ASN A 14 0.895 14.731 -11.575 1.00 0.00 H new ATOM 0 HA ASN A 14 0.199 17.517 -10.918 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.217 16.725 -13.210 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.371 16.052 -13.526 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.255 19.129 -14.987 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.007 17.390 -15.180 1.00 0.00 H new ATOM 239 N GLU A 15 -1.843 15.058 -10.897 1.00 0.00 N ATOM 240 CA GLU A 15 -3.228 14.682 -10.629 1.00 0.00 C ATOM 241 C GLU A 15 -3.627 15.046 -9.197 1.00 0.00 C ATOM 242 O GLU A 15 -2.896 14.767 -8.250 1.00 0.00 O ATOM 243 CB GLU A 15 -3.425 13.193 -10.895 1.00 0.00 C ATOM 244 CG GLU A 15 -3.552 12.865 -12.370 1.00 0.00 C ATOM 245 CD GLU A 15 -4.292 11.565 -12.621 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.541 11.588 -12.636 1.00 0.00 O ATOM 247 OE2 GLU A 15 -3.625 10.527 -12.801 1.00 0.00 O ATOM 0 H GLU A 15 -1.173 14.292 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.878 15.242 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.583 12.641 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.320 12.852 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.074 13.678 -12.875 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.557 12.802 -12.811 1.00 0.00 H new ATOM 254 N GLU A 16 -4.785 15.695 -9.060 1.00 0.00 N ATOM 255 CA GLU A 16 -5.285 16.139 -7.754 1.00 0.00 C ATOM 256 C GLU A 16 -5.404 14.992 -6.751 1.00 0.00 C ATOM 257 O GLU A 16 -4.569 14.866 -5.857 1.00 0.00 O ATOM 258 CB GLU A 16 -6.633 16.851 -7.906 1.00 0.00 C ATOM 259 CG GLU A 16 -7.586 16.174 -8.878 1.00 0.00 C ATOM 260 CD GLU A 16 -8.033 17.094 -9.997 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.162 17.589 -10.742 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.255 17.320 -10.128 1.00 0.00 O ATOM 0 H GLU A 16 -5.398 15.927 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.550 16.840 -7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.111 16.913 -6.929 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.456 17.873 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.099 15.298 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.461 15.819 -8.334 1.00 0.00 H new ATOM 269 N PHE A 17 -6.438 14.161 -6.888 1.00 0.00 N ATOM 270 CA PHE A 17 -6.631 13.037 -5.972 1.00 0.00 C ATOM 271 C PHE A 17 -5.341 12.248 -5.856 1.00 0.00 C ATOM 272 O PHE A 17 -4.942 11.832 -4.771 1.00 0.00 O ATOM 273 CB PHE A 17 -7.789 12.144 -6.456 1.00 0.00 C ATOM 274 CG PHE A 17 -7.430 10.691 -6.625 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.880 10.234 -7.813 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.642 9.785 -5.598 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.548 8.902 -7.971 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.313 8.451 -5.752 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.765 8.009 -6.940 1.00 0.00 C ATOM 0 H PHE A 17 -7.148 14.243 -7.616 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.895 13.416 -4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.612 12.221 -5.745 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.153 12.528 -7.409 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.709 10.927 -8.624 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.069 10.125 -4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.119 8.559 -8.901 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.484 7.755 -4.944 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.507 6.968 -7.063 1.00 0.00 H new ATOM 289 N PHE A 18 -4.701 12.057 -6.993 1.00 0.00 N ATOM 290 CA PHE A 18 -3.463 11.332 -7.065 1.00 0.00 C ATOM 291 C PHE A 18 -2.399 12.060 -6.255 1.00 0.00 C ATOM 292 O PHE A 18 -1.489 11.441 -5.718 1.00 0.00 O ATOM 293 CB PHE A 18 -3.071 11.276 -8.527 1.00 0.00 C ATOM 294 CG PHE A 18 -2.399 10.020 -8.940 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.396 9.443 -8.192 1.00 0.00 C ATOM 296 CD2 PHE A 18 -2.813 9.416 -10.099 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.807 8.261 -8.608 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.236 8.240 -10.529 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.229 7.660 -9.783 1.00 0.00 C ATOM 0 H PHE A 18 -5.033 12.405 -7.893 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.565 10.326 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.966 11.410 -9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.409 12.115 -8.744 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.068 9.915 -7.277 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.602 9.867 -10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.022 7.809 -8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.570 7.775 -11.445 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.771 6.740 -10.115 1.00 0.00 H new ATOM 309 N ARG A 19 -2.537 13.384 -6.165 1.00 0.00 N ATOM 310 CA ARG A 19 -1.600 14.203 -5.409 1.00 0.00 C ATOM 311 C ARG A 19 -1.959 14.185 -3.928 1.00 0.00 C ATOM 312 O ARG A 19 -1.188 13.700 -3.094 1.00 0.00 O ATOM 313 CB ARG A 19 -1.608 15.639 -5.920 1.00 0.00 C ATOM 314 CG ARG A 19 -0.504 15.917 -6.922 1.00 0.00 C ATOM 315 CD ARG A 19 -1.005 16.750 -8.079 1.00 0.00 C ATOM 316 NE ARG A 19 -0.508 18.125 -8.028 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.218 19.161 -7.584 1.00 0.00 C ATOM 318 NH1 ARG A 19 -2.458 18.993 -7.136 1.00 0.00 N ATOM 319 NH2 ARG A 19 -0.684 20.375 -7.584 1.00 0.00 N ATOM 0 H ARG A 19 -3.291 13.909 -6.608 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.601 13.787 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.572 15.849 -6.383 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.505 16.320 -5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.316 16.436 -6.427 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.105 14.974 -7.297 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.696 16.289 -9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.095 16.759 -8.072 1.00 0.00 H new ATOM 0 HE ARG A 19 0.443 18.302 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.876 18.063 -7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.991 19.794 -6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.268 20.513 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.225 21.170 -7.245 1.00 0.00 H new ATOM 333 N LYS A 20 -3.150 14.700 -3.605 1.00 0.00 N ATOM 334 CA LYS A 20 -3.613 14.724 -2.220 1.00 0.00 C ATOM 335 C LYS A 20 -3.439 13.347 -1.594 1.00 0.00 C ATOM 336 O LYS A 20 -3.205 13.225 -0.391 1.00 0.00 O ATOM 337 CB LYS A 20 -5.072 15.180 -2.128 1.00 0.00 C ATOM 338 CG LYS A 20 -5.987 14.533 -3.152 1.00 0.00 C ATOM 339 CD LYS A 20 -6.955 15.543 -3.756 1.00 0.00 C ATOM 340 CE LYS A 20 -8.396 15.067 -3.656 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.134 15.755 -2.561 1.00 0.00 N ATOM 0 H LYS A 20 -3.803 15.101 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.010 15.445 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.448 14.960 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.112 16.262 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.388 14.084 -3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.549 13.726 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.851 16.499 -3.243 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.699 15.713 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.904 15.246 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.412 13.991 -3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.112 15.402 -2.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.665 15.564 -1.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.142 16.780 -2.738 1.00 0.00 H new ATOM 355 N LEU A 21 -3.520 12.313 -2.428 1.00 0.00 N ATOM 356 CA LEU A 21 -3.330 10.948 -1.955 1.00 0.00 C ATOM 357 C LEU A 21 -1.850 10.588 -2.032 1.00 0.00 C ATOM 358 O LEU A 21 -1.319 9.927 -1.141 1.00 0.00 O ATOM 359 CB LEU A 21 -4.164 9.957 -2.773 1.00 0.00 C ATOM 360 CG LEU A 21 -5.681 10.023 -2.548 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.334 8.714 -2.962 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.006 10.336 -1.093 1.00 0.00 C ATOM 0 H LEU A 21 -3.714 12.395 -3.426 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.667 10.887 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.964 10.128 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.824 8.947 -2.543 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.079 10.828 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.410 8.776 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.139 8.528 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.922 7.898 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.087 10.377 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.592 9.557 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.571 11.298 -0.822 1.00 0.00 H new ATOM 374 N SER A 22 -1.179 11.063 -3.088 1.00 0.00 N ATOM 375 CA SER A 22 0.257 10.824 -3.262 1.00 0.00 C ATOM 376 C SER A 22 1.033 11.283 -2.030 1.00 0.00 C ATOM 377 O SER A 22 2.200 10.938 -1.856 1.00 0.00 O ATOM 378 CB SER A 22 0.782 11.559 -4.498 1.00 0.00 C ATOM 379 OG SER A 22 2.163 11.851 -4.376 1.00 0.00 O ATOM 0 H SER A 22 -1.607 11.614 -3.833 1.00 0.00 H new ATOM 0 HA SER A 22 0.403 9.752 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.614 10.948 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.223 12.485 -4.638 1.00 0.00 H new ATOM 0 HG SER A 22 2.674 11.015 -4.358 1.00 0.00 H new ATOM 385 N ARG A 23 0.380 12.073 -1.185 1.00 0.00 N ATOM 386 CA ARG A 23 1.008 12.588 0.019 1.00 0.00 C ATOM 387 C ARG A 23 0.614 11.745 1.226 1.00 0.00 C ATOM 388 O ARG A 23 0.094 10.636 1.077 1.00 0.00 O ATOM 389 CB ARG A 23 0.592 14.044 0.235 1.00 0.00 C ATOM 390 CG ARG A 23 0.494 14.848 -1.055 1.00 0.00 C ATOM 391 CD ARG A 23 1.648 15.827 -1.194 1.00 0.00 C ATOM 392 NE ARG A 23 1.261 17.033 -1.923 1.00 0.00 N ATOM 393 CZ ARG A 23 2.129 17.904 -2.432 1.00 0.00 C ATOM 394 NH1 ARG A 23 3.435 17.709 -2.296 1.00 0.00 N ATOM 395 NH2 ARG A 23 1.689 18.975 -3.080 1.00 0.00 N ATOM 0 H ARG A 23 -0.587 12.370 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 23 2.091 12.538 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.373 14.066 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.311 14.524 0.899 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.488 14.169 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.450 15.393 -1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.010 16.103 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.475 15.341 -1.711 1.00 0.00 H new ATOM 0 HE ARG A 23 0.266 17.218 -2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.779 16.887 -1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.095 18.381 -2.689 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.687 19.130 -3.188 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.353 19.643 -3.471 1.00 0.00 H new ATOM 409 N GLU A 24 0.885 12.264 2.418 1.00 0.00 N ATOM 410 CA GLU A 24 0.576 11.547 3.653 1.00 0.00 C ATOM 411 C GLU A 24 -0.646 12.133 4.352 1.00 0.00 C ATOM 412 O GLU A 24 -0.667 13.311 4.709 1.00 0.00 O ATOM 413 CB GLU A 24 1.777 11.577 4.604 1.00 0.00 C ATOM 414 CG GLU A 24 3.125 11.536 3.897 1.00 0.00 C ATOM 415 CD GLU A 24 4.278 11.865 4.824 1.00 0.00 C ATOM 416 OE1 GLU A 24 4.179 11.554 6.029 1.00 0.00 O ATOM 417 OE2 GLU A 24 5.282 12.435 4.344 1.00 0.00 O ATOM 0 H GLU A 24 1.317 13.177 2.557 1.00 0.00 H new ATOM 0 HA GLU A 24 0.352 10.515 3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.724 12.480 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.709 10.729 5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.278 10.545 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.118 12.242 3.067 1.00 0.00 H new ATOM 424 N CYS A 25 -1.660 11.295 4.554 1.00 0.00 N ATOM 425 CA CYS A 25 -2.885 11.719 5.222 1.00 0.00 C ATOM 426 C CYS A 25 -3.544 10.560 5.969 1.00 0.00 C ATOM 427 O CYS A 25 -3.340 9.391 5.642 1.00 0.00 O ATOM 428 CB CYS A 25 -3.862 12.357 4.226 1.00 0.00 C ATOM 429 SG CYS A 25 -3.732 11.736 2.533 1.00 0.00 S ATOM 0 H CYS A 25 -1.656 10.317 4.264 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.613 12.474 5.960 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.879 12.193 4.581 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.697 13.434 4.217 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.018 10.468 2.513 1.00 0.00 H new ATOM 435 N GLU A 26 -4.310 10.911 6.995 1.00 0.00 N ATOM 436 CA GLU A 26 -4.995 9.939 7.844 1.00 0.00 C ATOM 437 C GLU A 26 -5.679 8.819 7.061 1.00 0.00 C ATOM 438 O GLU A 26 -6.320 9.049 6.034 1.00 0.00 O ATOM 439 CB GLU A 26 -6.027 10.656 8.714 1.00 0.00 C ATOM 440 CG GLU A 26 -6.066 10.149 10.143 1.00 0.00 C ATOM 441 CD GLU A 26 -6.822 11.080 11.072 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.287 12.162 11.392 1.00 0.00 O ATOM 443 OE2 GLU A 26 -7.949 10.725 11.479 1.00 0.00 O ATOM 0 H GLU A 26 -4.475 11.881 7.264 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.228 9.468 8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.807 11.724 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.014 10.537 8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.533 9.164 10.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.047 10.026 10.509 1.00 0.00 H new ATOM 450 N ILE A 27 -5.557 7.604 7.593 1.00 0.00 N ATOM 451 CA ILE A 27 -6.176 6.421 7.002 1.00 0.00 C ATOM 452 C ILE A 27 -6.936 5.637 8.073 1.00 0.00 C ATOM 453 O ILE A 27 -6.747 5.868 9.267 1.00 0.00 O ATOM 454 CB ILE A 27 -5.142 5.495 6.327 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.137 4.962 7.352 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.424 6.233 5.207 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.190 3.921 6.788 1.00 0.00 C ATOM 0 H ILE A 27 -5.028 7.413 8.444 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.864 6.770 6.232 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.671 4.644 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.555 5.796 7.745 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.681 4.529 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.698 5.568 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.150 6.558 4.462 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.909 7.102 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.507 3.589 7.570 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.763 3.069 6.420 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.619 4.355 5.968 1.00 0.00 H new ATOM 469 N LYS A 28 -7.801 4.719 7.649 1.00 0.00 N ATOM 470 CA LYS A 28 -8.586 3.922 8.593 1.00 0.00 C ATOM 471 C LYS A 28 -8.973 2.574 7.992 1.00 0.00 C ATOM 472 O LYS A 28 -9.130 2.448 6.780 1.00 0.00 O ATOM 473 CB LYS A 28 -9.845 4.692 9.004 1.00 0.00 C ATOM 474 CG LYS A 28 -10.782 3.903 9.908 1.00 0.00 C ATOM 475 CD LYS A 28 -12.138 4.579 10.029 1.00 0.00 C ATOM 476 CE LYS A 28 -12.196 5.497 11.240 1.00 0.00 C ATOM 477 NZ LYS A 28 -13.385 6.393 11.201 1.00 0.00 N ATOM 0 H LYS A 28 -7.977 4.508 6.667 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.970 3.735 9.473 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.548 5.608 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.387 4.989 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.910 2.896 9.511 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.335 3.801 10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.341 5.154 9.125 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -12.918 3.822 10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.223 4.897 12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.289 6.099 11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.388 7.003 12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.346 6.984 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.252 5.819 11.186 1.00 0.00 H new ATOM 491 N TYR A 29 -9.123 1.565 8.850 1.00 0.00 N ATOM 492 CA TYR A 29 -9.490 0.223 8.397 1.00 0.00 C ATOM 493 C TYR A 29 -10.991 0.094 8.168 1.00 0.00 C ATOM 494 O TYR A 29 -11.795 0.428 9.036 1.00 0.00 O ATOM 495 CB TYR A 29 -9.026 -0.817 9.411 1.00 0.00 C ATOM 496 CG TYR A 29 -8.574 -2.115 8.784 1.00 0.00 C ATOM 497 CD1 TYR A 29 -7.318 -2.223 8.199 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.396 -3.234 8.784 1.00 0.00 C ATOM 499 CE1 TYR A 29 -6.896 -3.408 7.630 1.00 0.00 C ATOM 500 CE2 TYR A 29 -8.982 -4.423 8.215 1.00 0.00 C ATOM 501 CZ TYR A 29 -7.731 -4.505 7.641 1.00 0.00 C ATOM 502 OH TYR A 29 -7.313 -5.687 7.076 1.00 0.00 O ATOM 0 H TYR A 29 -8.997 1.650 9.859 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.992 0.049 7.443 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.206 -0.401 9.996 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.840 -1.023 10.106 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.661 -1.366 8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.375 -3.174 9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.917 -3.475 7.179 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.635 -5.283 8.220 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.078 -6.292 6.980 1.00 0.00 H new ATOM 512 N THR A 30 -11.357 -0.398 6.985 1.00 0.00 N ATOM 513 CA THR A 30 -12.761 -0.585 6.624 1.00 0.00 C ATOM 514 C THR A 30 -12.904 -1.642 5.529 1.00 0.00 C ATOM 515 O THR A 30 -13.855 -1.614 4.748 1.00 0.00 O ATOM 516 CB THR A 30 -13.377 0.734 6.149 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.990 1.020 4.816 1.00 0.00 O ATOM 518 CG2 THR A 30 -12.992 1.924 7.003 1.00 0.00 C ATOM 0 H THR A 30 -10.697 -0.675 6.258 1.00 0.00 H new ATOM 0 HA THR A 30 -13.291 -0.925 7.514 1.00 0.00 H new ATOM 0 HB THR A 30 -14.454 0.588 6.226 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.356 1.889 4.548 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.464 2.823 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.325 1.759 8.028 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.909 2.047 6.989 1.00 0.00 H new ATOM 526 N GLY A 31 -11.953 -2.571 5.475 1.00 0.00 N ATOM 527 CA GLY A 31 -11.994 -3.621 4.470 1.00 0.00 C ATOM 528 C GLY A 31 -13.030 -4.682 4.783 1.00 0.00 C ATOM 529 O GLY A 31 -14.066 -4.762 4.123 1.00 0.00 O ATOM 0 H GLY A 31 -11.155 -2.616 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.212 -3.180 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.012 -4.087 4.396 1.00 0.00 H new ATOM 533 N PHE A 32 -12.756 -5.489 5.804 1.00 0.00 N ATOM 534 CA PHE A 32 -13.679 -6.542 6.217 1.00 0.00 C ATOM 535 C PHE A 32 -14.025 -6.386 7.692 1.00 0.00 C ATOM 536 O PHE A 32 -14.544 -7.306 8.324 1.00 0.00 O ATOM 537 CB PHE A 32 -13.083 -7.930 5.966 1.00 0.00 C ATOM 538 CG PHE A 32 -11.580 -7.969 5.989 1.00 0.00 C ATOM 539 CD1 PHE A 32 -10.888 -7.966 7.190 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.866 -8.017 4.805 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.503 -8.010 7.207 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.484 -8.061 4.815 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.803 -8.058 6.017 1.00 0.00 C ATOM 0 H PHE A 32 -11.903 -5.434 6.360 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.587 -6.447 5.621 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.465 -8.619 6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.430 -8.292 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.433 -7.929 8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.394 -8.020 3.863 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.972 -8.007 8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.938 -8.098 3.884 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.724 -8.093 6.026 1.00 0.00 H new ATOM 553 N ARG A 33 -13.713 -5.215 8.232 1.00 0.00 N ATOM 554 CA ARG A 33 -13.962 -4.913 9.631 1.00 0.00 C ATOM 555 C ARG A 33 -15.349 -4.335 9.854 1.00 0.00 C ATOM 556 O ARG A 33 -15.798 -4.194 10.992 1.00 0.00 O ATOM 557 CB ARG A 33 -12.909 -3.932 10.125 1.00 0.00 C ATOM 558 CG ARG A 33 -13.006 -2.553 9.485 1.00 0.00 C ATOM 559 CD ARG A 33 -14.115 -1.712 10.105 1.00 0.00 C ATOM 560 NE ARG A 33 -13.622 -0.430 10.601 1.00 0.00 N ATOM 561 CZ ARG A 33 -14.406 0.608 10.880 1.00 0.00 C ATOM 562 NH1 ARG A 33 -15.721 0.519 10.717 1.00 0.00 N ATOM 563 NH2 ARG A 33 -13.876 1.738 11.326 1.00 0.00 N ATOM 0 H ARG A 33 -13.281 -4.451 7.712 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.905 -5.846 10.192 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.001 -3.828 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.920 -4.345 9.928 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.053 -2.035 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.188 -2.662 8.416 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.894 -1.537 9.363 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.573 -2.265 10.925 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.617 -0.324 10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.135 -0.349 10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.317 1.318 10.933 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.867 1.812 11.455 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.477 2.534 11.540 1.00 0.00 H new ATOM 577 N ASP A 34 -16.021 -3.995 8.768 1.00 0.00 N ATOM 578 CA ASP A 34 -17.361 -3.421 8.843 1.00 0.00 C ATOM 579 C ASP A 34 -18.292 -4.270 9.714 1.00 0.00 C ATOM 580 O ASP A 34 -19.402 -3.845 10.037 1.00 0.00 O ATOM 581 CB ASP A 34 -17.954 -3.278 7.440 1.00 0.00 C ATOM 582 CG ASP A 34 -17.406 -2.074 6.700 1.00 0.00 C ATOM 583 OD1 ASP A 34 -17.127 -1.050 7.357 1.00 0.00 O ATOM 584 OD2 ASP A 34 -17.256 -2.155 5.463 1.00 0.00 O ATOM 0 H ASP A 34 -15.663 -4.105 7.819 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.272 -2.437 9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.743 -4.180 6.866 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.038 -3.193 7.514 1.00 0.00 H new ATOM 589 N ARG A 35 -17.843 -5.467 10.097 1.00 0.00 N ATOM 590 CA ARG A 35 -18.650 -6.347 10.930 1.00 0.00 C ATOM 591 C ARG A 35 -17.863 -6.823 12.160 1.00 0.00 C ATOM 592 O ARG A 35 -18.244 -6.512 13.289 1.00 0.00 O ATOM 593 CB ARG A 35 -19.179 -7.539 10.117 1.00 0.00 C ATOM 594 CG ARG A 35 -19.303 -7.266 8.620 1.00 0.00 C ATOM 595 CD ARG A 35 -17.945 -7.136 7.932 1.00 0.00 C ATOM 596 NE ARG A 35 -17.722 -8.205 6.961 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.212 -8.017 5.743 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.852 -6.803 5.340 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.055 -9.049 4.927 1.00 0.00 N ATOM 0 H ARG A 35 -16.930 -5.843 9.843 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.507 -5.776 11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -18.515 -8.390 10.266 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -20.156 -7.825 10.506 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.867 -8.073 8.153 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.873 -6.349 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.883 -6.171 7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -17.154 -7.156 8.682 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.972 -9.156 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.965 -6.004 5.964 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.463 -6.670 4.407 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.324 -9.985 5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.665 -8.908 3.995 1.00 0.00 H new ATOM 613 N PRO A 36 -16.765 -7.590 11.979 1.00 0.00 N ATOM 614 CA PRO A 36 -15.961 -8.098 13.077 1.00 0.00 C ATOM 615 C PRO A 36 -14.651 -7.332 13.258 1.00 0.00 C ATOM 616 O PRO A 36 -13.572 -7.921 13.199 1.00 0.00 O ATOM 617 CB PRO A 36 -15.671 -9.506 12.579 1.00 0.00 C ATOM 618 CG PRO A 36 -15.480 -9.336 11.100 1.00 0.00 C ATOM 619 CD PRO A 36 -16.201 -8.058 10.705 1.00 0.00 C ATOM 0 HA PRO A 36 -16.457 -8.023 14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.781 -9.921 13.051 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.495 -10.185 12.800 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.420 -9.274 10.852 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.884 -10.191 10.558 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.518 -7.326 10.273 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.978 -8.245 9.964 1.00 0.00 H new ATOM 627 N HIS A 37 -14.736 -6.019 13.470 1.00 0.00 N ATOM 628 CA HIS A 37 -13.532 -5.210 13.647 1.00 0.00 C ATOM 629 C HIS A 37 -12.605 -5.839 14.691 1.00 0.00 C ATOM 630 O HIS A 37 -11.443 -6.131 14.409 1.00 0.00 O ATOM 631 CB HIS A 37 -13.888 -3.770 14.040 1.00 0.00 C ATOM 632 CG HIS A 37 -12.726 -2.820 13.946 1.00 0.00 C ATOM 633 ND1 HIS A 37 -11.919 -2.523 15.021 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.221 -2.115 12.897 1.00 0.00 C ATOM 635 CE1 HIS A 37 -10.970 -1.687 14.642 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.133 -1.421 13.361 1.00 0.00 N ATOM 0 H HIS A 37 -15.612 -5.500 13.523 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.006 -5.180 12.693 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.692 -3.414 13.396 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.271 -3.764 15.061 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.036 -2.892 15.965 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.605 -2.104 11.888 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.191 -1.288 15.275 1.00 0.00 H new ATOM 645 N GLU A 38 -13.120 -6.064 15.894 1.00 0.00 N ATOM 646 CA GLU A 38 -12.321 -6.669 16.959 1.00 0.00 C ATOM 647 C GLU A 38 -11.602 -7.923 16.466 1.00 0.00 C ATOM 648 O GLU A 38 -10.536 -8.275 16.971 1.00 0.00 O ATOM 649 CB GLU A 38 -13.201 -7.007 18.164 1.00 0.00 C ATOM 650 CG GLU A 38 -14.446 -7.801 17.807 1.00 0.00 C ATOM 651 CD GLU A 38 -15.669 -7.346 18.578 1.00 0.00 C ATOM 652 OE1 GLU A 38 -15.607 -7.316 19.825 1.00 0.00 O ATOM 653 OE2 GLU A 38 -16.689 -7.018 17.935 1.00 0.00 O ATOM 0 H GLU A 38 -14.079 -5.840 16.158 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.568 -5.942 17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.613 -7.575 18.885 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.500 -6.081 18.656 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.639 -7.706 16.738 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -14.268 -8.858 18.006 1.00 0.00 H new ATOM 660 N GLU A 39 -12.168 -8.570 15.454 1.00 0.00 N ATOM 661 CA GLU A 39 -11.553 -9.753 14.870 1.00 0.00 C ATOM 662 C GLU A 39 -10.549 -9.298 13.841 1.00 0.00 C ATOM 663 O GLU A 39 -9.441 -9.826 13.741 1.00 0.00 O ATOM 664 CB GLU A 39 -12.601 -10.658 14.223 1.00 0.00 C ATOM 665 CG GLU A 39 -12.356 -12.139 14.459 1.00 0.00 C ATOM 666 CD GLU A 39 -13.522 -13.001 14.016 1.00 0.00 C ATOM 667 OE1 GLU A 39 -14.629 -12.833 14.568 1.00 0.00 O ATOM 668 OE2 GLU A 39 -13.328 -13.845 13.114 1.00 0.00 O ATOM 0 H GLU A 39 -13.050 -8.295 15.022 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.062 -10.333 15.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.585 -10.395 14.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.620 -10.468 13.150 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.458 -12.445 13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.166 -12.308 15.519 1.00 0.00 H new ATOM 675 N ARG A 40 -10.951 -8.274 13.097 1.00 0.00 N ATOM 676 CA ARG A 40 -10.109 -7.678 12.083 1.00 0.00 C ATOM 677 C ARG A 40 -8.722 -7.415 12.661 1.00 0.00 C ATOM 678 O ARG A 40 -7.726 -7.431 11.943 1.00 0.00 O ATOM 679 CB ARG A 40 -10.767 -6.387 11.581 1.00 0.00 C ATOM 680 CG ARG A 40 -9.866 -5.161 11.583 1.00 0.00 C ATOM 681 CD ARG A 40 -9.983 -4.378 12.884 1.00 0.00 C ATOM 682 NE ARG A 40 -8.790 -4.496 13.727 1.00 0.00 N ATOM 683 CZ ARG A 40 -8.782 -4.278 15.041 1.00 0.00 C ATOM 684 NH1 ARG A 40 -9.920 -4.174 15.711 1.00 0.00 N ATOM 685 NH2 ARG A 40 -7.631 -4.214 15.695 1.00 0.00 N ATOM 0 H ARG A 40 -11.869 -7.839 13.184 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.994 -8.355 11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.128 -6.552 10.566 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.640 -6.178 12.199 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.831 -5.470 11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.128 -4.515 10.745 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.158 -3.327 12.656 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.851 -4.733 13.439 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.912 -4.761 13.280 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.810 -4.261 15.221 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.906 -4.007 16.717 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.751 -4.332 15.192 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.625 -4.047 16.701 1.00 0.00 H new ATOM 699 N GLN A 41 -8.667 -7.194 13.973 1.00 0.00 N ATOM 700 CA GLN A 41 -7.396 -6.954 14.648 1.00 0.00 C ATOM 701 C GLN A 41 -6.413 -8.056 14.278 1.00 0.00 C ATOM 702 O GLN A 41 -5.262 -7.794 13.922 1.00 0.00 O ATOM 703 CB GLN A 41 -7.591 -6.889 16.171 1.00 0.00 C ATOM 704 CG GLN A 41 -7.694 -8.245 16.851 1.00 0.00 C ATOM 705 CD GLN A 41 -8.051 -8.132 18.321 1.00 0.00 C ATOM 706 OE1 GLN A 41 -8.961 -7.393 18.696 1.00 0.00 O ATOM 707 NE2 GLN A 41 -7.332 -8.867 19.162 1.00 0.00 N ATOM 0 H GLN A 41 -9.483 -7.176 14.585 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.996 -5.993 14.324 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.757 -6.340 16.608 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.495 -6.320 16.385 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.448 -8.846 16.343 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.745 -8.771 16.750 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.587 -9.466 18.807 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.525 -8.832 20.163 1.00 0.00 H new ATOM 716 N THR A 42 -6.897 -9.291 14.334 1.00 0.00 N ATOM 717 CA THR A 42 -6.092 -10.444 13.979 1.00 0.00 C ATOM 718 C THR A 42 -6.148 -10.676 12.477 1.00 0.00 C ATOM 719 O THR A 42 -5.211 -11.216 11.892 1.00 0.00 O ATOM 720 CB THR A 42 -6.576 -11.688 14.725 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.808 -11.395 16.092 1.00 0.00 O ATOM 722 CG2 THR A 42 -5.599 -12.842 14.663 1.00 0.00 C ATOM 0 H THR A 42 -7.849 -9.516 14.624 1.00 0.00 H new ATOM 0 HA THR A 42 -5.059 -10.250 14.269 1.00 0.00 H new ATOM 0 HB THR A 42 -7.497 -11.985 14.223 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.119 -12.203 16.552 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.004 -13.692 15.212 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.437 -13.126 13.623 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.651 -12.541 15.109 1.00 0.00 H new ATOM 730 N ARG A 43 -7.247 -10.253 11.847 1.00 0.00 N ATOM 731 CA ARG A 43 -7.382 -10.420 10.404 1.00 0.00 C ATOM 732 C ARG A 43 -6.380 -9.534 9.677 1.00 0.00 C ATOM 733 O ARG A 43 -5.801 -9.933 8.667 1.00 0.00 O ATOM 734 CB ARG A 43 -8.800 -10.090 9.935 1.00 0.00 C ATOM 735 CG ARG A 43 -9.888 -10.787 10.734 1.00 0.00 C ATOM 736 CD ARG A 43 -10.052 -12.236 10.305 1.00 0.00 C ATOM 737 NE ARG A 43 -11.394 -12.742 10.584 1.00 0.00 N ATOM 738 CZ ARG A 43 -12.453 -12.498 9.814 1.00 0.00 C ATOM 739 NH1 ARG A 43 -12.331 -11.757 8.719 1.00 0.00 N ATOM 740 NH2 ARG A 43 -13.637 -12.997 10.139 1.00 0.00 N ATOM 0 H ARG A 43 -8.039 -9.802 12.305 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.180 -11.465 10.169 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.951 -9.012 9.996 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.899 -10.367 8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.644 -10.746 11.796 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.832 -10.259 10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.846 -12.324 9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.317 -12.853 10.823 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.528 -13.315 11.417 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.422 -11.371 8.463 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.146 -11.574 8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.737 -13.568 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.448 -12.810 9.550 1.00 0.00 H new ATOM 754 N PHE A 44 -6.167 -8.333 10.208 1.00 0.00 N ATOM 755 CA PHE A 44 -5.228 -7.401 9.625 1.00 0.00 C ATOM 756 C PHE A 44 -3.804 -7.818 9.990 1.00 0.00 C ATOM 757 O PHE A 44 -2.929 -7.901 9.128 1.00 0.00 O ATOM 758 CB PHE A 44 -5.530 -5.985 10.118 1.00 0.00 C ATOM 759 CG PHE A 44 -4.312 -5.132 10.246 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.777 -4.498 9.141 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.700 -4.983 11.471 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.646 -3.721 9.256 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.565 -4.206 11.600 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.035 -3.573 10.490 1.00 0.00 C ATOM 0 H PHE A 44 -6.638 -7.989 11.045 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.324 -7.410 8.539 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.228 -5.509 9.429 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.028 -6.043 11.086 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.251 -4.613 8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.111 -5.478 12.338 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.237 -3.228 8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.093 -4.093 12.565 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.147 -2.965 10.585 1.00 0.00 H new ATOM 774 N GLN A 45 -3.589 -8.097 11.276 1.00 0.00 N ATOM 775 CA GLN A 45 -2.281 -8.529 11.756 1.00 0.00 C ATOM 776 C GLN A 45 -1.876 -9.834 11.079 1.00 0.00 C ATOM 777 O GLN A 45 -0.691 -10.113 10.897 1.00 0.00 O ATOM 778 CB GLN A 45 -2.302 -8.708 13.276 1.00 0.00 C ATOM 779 CG GLN A 45 -1.819 -7.487 14.040 1.00 0.00 C ATOM 780 CD GLN A 45 -1.437 -7.809 15.472 1.00 0.00 C ATOM 781 OE1 GLN A 45 -0.260 -7.989 15.786 1.00 0.00 O ATOM 782 NE2 GLN A 45 -2.432 -7.881 16.349 1.00 0.00 N ATOM 0 H GLN A 45 -4.304 -8.031 12.001 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.549 -7.761 11.506 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -3.318 -8.945 13.591 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.679 -9.562 13.541 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.959 -7.058 13.526 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.602 -6.729 14.038 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.393 -7.725 16.044 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.235 -8.093 17.327 1.00 0.00 H new ATOM 791 N ASN A 46 -2.877 -10.616 10.688 1.00 0.00 N ATOM 792 CA ASN A 46 -2.644 -11.881 10.004 1.00 0.00 C ATOM 793 C ASN A 46 -2.477 -11.623 8.513 1.00 0.00 C ATOM 794 O ASN A 46 -1.797 -12.369 7.809 1.00 0.00 O ATOM 795 CB ASN A 46 -3.804 -12.850 10.244 1.00 0.00 C ATOM 796 CG ASN A 46 -3.571 -14.202 9.600 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.717 -14.358 8.388 1.00 0.00 O ATOM 798 ND2 ASN A 46 -3.205 -15.189 10.410 1.00 0.00 N ATOM 0 H ASN A 46 -3.862 -10.394 10.835 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.736 -12.336 10.401 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.948 -12.982 11.316 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.723 -12.417 9.850 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.033 -16.121 10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.096 -15.015 11.409 1.00 0.00 H new ATOM 805 N ALA A 47 -3.082 -10.533 8.052 1.00 0.00 N ATOM 806 CA ALA A 47 -2.982 -10.132 6.663 1.00 0.00 C ATOM 807 C ALA A 47 -1.572 -9.640 6.402 1.00 0.00 C ATOM 808 O ALA A 47 -1.021 -9.824 5.316 1.00 0.00 O ATOM 809 CB ALA A 47 -4.005 -9.052 6.343 1.00 0.00 C ATOM 0 H ALA A 47 -3.649 -9.911 8.629 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.194 -10.983 6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.914 -8.764 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.009 -9.435 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.826 -8.182 6.975 1.00 0.00 H new ATOM 815 N CYS A 48 -0.978 -9.046 7.434 1.00 0.00 N ATOM 816 CA CYS A 48 0.391 -8.566 7.345 1.00 0.00 C ATOM 817 C CYS A 48 1.323 -9.757 7.187 1.00 0.00 C ATOM 818 O CYS A 48 2.447 -9.625 6.704 1.00 0.00 O ATOM 819 CB CYS A 48 0.764 -7.758 8.590 1.00 0.00 C ATOM 820 SG CYS A 48 0.018 -6.113 8.652 1.00 0.00 S ATOM 0 H CYS A 48 -1.425 -8.888 8.337 1.00 0.00 H new ATOM 0 HA CYS A 48 0.487 -7.909 6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.462 -8.316 9.476 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.848 -7.655 8.632 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.269 -6.225 8.796 1.00 0.00 H new ATOM 826 N ARG A 49 0.830 -10.930 7.582 1.00 0.00 N ATOM 827 CA ARG A 49 1.602 -12.156 7.465 1.00 0.00 C ATOM 828 C ARG A 49 1.508 -12.691 6.036 1.00 0.00 C ATOM 829 O ARG A 49 2.394 -13.404 5.568 1.00 0.00 O ATOM 830 CB ARG A 49 1.101 -13.195 8.481 1.00 0.00 C ATOM 831 CG ARG A 49 1.097 -14.627 7.968 1.00 0.00 C ATOM 832 CD ARG A 49 0.848 -15.622 9.091 1.00 0.00 C ATOM 833 NE ARG A 49 1.797 -16.732 9.059 1.00 0.00 N ATOM 834 CZ ARG A 49 3.085 -16.616 9.376 1.00 0.00 C ATOM 835 NH1 ARG A 49 3.579 -15.443 9.750 1.00 0.00 N ATOM 836 NH2 ARG A 49 3.880 -17.676 9.321 1.00 0.00 N ATOM 0 H ARG A 49 -0.099 -11.052 7.984 1.00 0.00 H new ATOM 0 HA ARG A 49 2.649 -11.948 7.685 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.726 -13.143 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.089 -12.928 8.785 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.327 -14.739 7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.053 -14.846 7.492 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.920 -15.111 10.051 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.167 -16.011 9.013 1.00 0.00 H new ATOM 0 HE ARG A 49 1.453 -17.650 8.777 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.971 -14.625 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.566 -15.359 9.992 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.505 -18.581 9.036 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.867 -17.587 9.564 1.00 0.00 H new ATOM 850 N ASP A 50 0.428 -12.326 5.348 1.00 0.00 N ATOM 851 CA ASP A 50 0.213 -12.750 3.970 1.00 0.00 C ATOM 852 C ASP A 50 0.580 -11.634 2.989 1.00 0.00 C ATOM 853 O ASP A 50 0.366 -11.762 1.785 1.00 0.00 O ATOM 854 CB ASP A 50 -1.244 -13.168 3.764 1.00 0.00 C ATOM 855 CG ASP A 50 -1.469 -14.640 4.052 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.172 -15.470 3.168 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.942 -14.962 5.162 1.00 0.00 O ATOM 0 H ASP A 50 -0.313 -11.736 5.726 1.00 0.00 H new ATOM 0 HA ASP A 50 0.860 -13.605 3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.886 -12.571 4.413 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.540 -12.952 2.737 1.00 0.00 H new ATOM 862 N GLY A 51 1.141 -10.544 3.512 1.00 0.00 N ATOM 863 CA GLY A 51 1.536 -9.428 2.669 1.00 0.00 C ATOM 864 C GLY A 51 0.379 -8.836 1.888 1.00 0.00 C ATOM 865 O GLY A 51 0.545 -8.416 0.746 1.00 0.00 O ATOM 0 H GLY A 51 1.329 -10.415 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.983 -8.652 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.305 -9.761 1.972 1.00 0.00 H new ATOM 869 N ARG A 52 -0.797 -8.810 2.503 1.00 0.00 N ATOM 870 CA ARG A 52 -1.989 -8.266 1.862 1.00 0.00 C ATOM 871 C ARG A 52 -2.976 -7.695 2.867 1.00 0.00 C ATOM 872 O ARG A 52 -3.361 -8.365 3.823 1.00 0.00 O ATOM 873 CB ARG A 52 -2.670 -9.340 1.027 1.00 0.00 C ATOM 874 CG ARG A 52 -2.059 -9.466 -0.346 1.00 0.00 C ATOM 875 CD ARG A 52 -1.528 -10.868 -0.595 1.00 0.00 C ATOM 876 NE ARG A 52 -2.526 -11.728 -1.224 1.00 0.00 N ATOM 877 CZ ARG A 52 -2.251 -12.917 -1.756 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.010 -13.389 -1.739 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.220 -13.637 -2.305 1.00 0.00 N ATOM 0 H ARG A 52 -0.951 -9.161 3.448 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.663 -7.448 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.601 -10.298 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.730 -9.106 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.805 -9.219 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.248 -8.745 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.644 -10.813 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.213 -11.310 0.351 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.491 -11.399 -1.258 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.261 -12.840 -1.317 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.805 -14.301 -2.148 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.175 -13.280 -2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.010 -14.548 -2.713 1.00 0.00 H new ATOM 893 N SER A 53 -3.401 -6.463 2.627 1.00 0.00 N ATOM 894 CA SER A 53 -4.370 -5.805 3.501 1.00 0.00 C ATOM 895 C SER A 53 -5.323 -4.919 2.713 1.00 0.00 C ATOM 896 O SER A 53 -5.074 -4.580 1.552 1.00 0.00 O ATOM 897 CB SER A 53 -3.676 -4.966 4.568 1.00 0.00 C ATOM 898 OG SER A 53 -3.005 -3.859 3.992 1.00 0.00 O ATOM 0 H SER A 53 -3.093 -5.897 1.836 1.00 0.00 H new ATOM 0 HA SER A 53 -4.941 -6.598 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.411 -4.613 5.292 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.962 -5.584 5.113 1.00 0.00 H new ATOM 0 HG SER A 53 -2.205 -4.171 3.520 1.00 0.00 H new ATOM 904 N GLU A 54 -6.396 -4.518 3.378 1.00 0.00 N ATOM 905 CA GLU A 54 -7.390 -3.636 2.789 1.00 0.00 C ATOM 906 C GLU A 54 -7.603 -2.448 3.714 1.00 0.00 C ATOM 907 O GLU A 54 -8.308 -2.548 4.719 1.00 0.00 O ATOM 908 CB GLU A 54 -8.708 -4.380 2.567 1.00 0.00 C ATOM 909 CG GLU A 54 -9.483 -3.896 1.353 1.00 0.00 C ATOM 910 CD GLU A 54 -10.662 -4.789 1.021 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.503 -6.028 1.077 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.744 -4.251 0.705 1.00 0.00 O ATOM 0 H GLU A 54 -6.601 -4.794 4.338 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.035 -3.288 1.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.500 -5.444 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.332 -4.269 3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.840 -2.882 1.535 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.814 -3.850 0.494 1.00 0.00 H new ATOM 919 N ILE A 55 -6.965 -1.334 3.389 1.00 0.00 N ATOM 920 CA ILE A 55 -7.057 -0.137 4.211 1.00 0.00 C ATOM 921 C ILE A 55 -7.836 0.971 3.515 1.00 0.00 C ATOM 922 O ILE A 55 -7.669 1.212 2.319 1.00 0.00 O ATOM 923 CB ILE A 55 -5.656 0.400 4.581 1.00 0.00 C ATOM 924 CG1 ILE A 55 -4.601 -0.708 4.480 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.664 0.994 5.980 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.812 -1.833 5.469 1.00 0.00 C ATOM 0 H ILE A 55 -6.377 -1.234 2.561 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.588 -0.429 5.117 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.397 1.185 3.870 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.610 -1.117 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.614 -0.275 4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.669 1.367 6.223 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.380 1.815 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.949 0.227 6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.030 -2.581 5.341 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.773 -1.437 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.785 -2.292 5.295 1.00 0.00 H new ATOM 938 N ALA A 56 -8.669 1.658 4.286 1.00 0.00 N ATOM 939 CA ALA A 56 -9.460 2.764 3.769 1.00 0.00 C ATOM 940 C ALA A 56 -8.676 4.059 3.915 1.00 0.00 C ATOM 941 O ALA A 56 -7.802 4.166 4.775 1.00 0.00 O ATOM 942 CB ALA A 56 -10.792 2.855 4.499 1.00 0.00 C ATOM 0 H ALA A 56 -8.814 1.466 5.277 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.669 2.593 2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.370 3.688 4.099 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.348 1.928 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.614 3.015 5.562 1.00 0.00 H new ATOM 948 N PHE A 57 -8.966 5.036 3.068 1.00 0.00 N ATOM 949 CA PHE A 57 -8.250 6.302 3.119 1.00 0.00 C ATOM 950 C PHE A 57 -9.185 7.422 3.570 1.00 0.00 C ATOM 951 O PHE A 57 -10.231 7.649 2.963 1.00 0.00 O ATOM 952 CB PHE A 57 -7.671 6.608 1.736 1.00 0.00 C ATOM 953 CG PHE A 57 -6.368 7.355 1.764 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.020 8.153 2.842 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.479 7.238 0.708 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.811 8.821 2.862 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.270 7.902 0.724 1.00 0.00 C ATOM 958 CZ PHE A 57 -3.935 8.694 1.802 1.00 0.00 C ATOM 0 H PHE A 57 -9.683 4.978 2.345 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.436 6.231 3.841 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.528 5.670 1.199 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.399 7.191 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.700 8.254 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.736 6.619 -0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.551 9.442 3.706 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.587 7.802 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.989 9.214 1.817 1.00 0.00 H new ATOM 968 N VAL A 58 -8.810 8.116 4.644 1.00 0.00 N ATOM 969 CA VAL A 58 -9.627 9.202 5.175 1.00 0.00 C ATOM 970 C VAL A 58 -9.519 10.452 4.310 1.00 0.00 C ATOM 971 O VAL A 58 -10.469 11.230 4.207 1.00 0.00 O ATOM 972 CB VAL A 58 -9.224 9.555 6.618 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.211 10.542 7.223 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.129 8.297 7.469 1.00 0.00 C ATOM 0 H VAL A 58 -7.948 7.945 5.161 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.658 8.849 5.168 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.242 10.027 6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.909 10.779 8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.225 11.455 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.207 10.100 7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.843 8.566 8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.096 7.795 7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.380 7.628 7.047 1.00 0.00 H new ATOM 984 N ALA A 59 -8.357 10.642 3.695 1.00 0.00 N ATOM 985 CA ALA A 59 -8.115 11.800 2.839 1.00 0.00 C ATOM 986 C ALA A 59 -9.295 12.073 1.908 1.00 0.00 C ATOM 987 O ALA A 59 -9.746 13.211 1.779 1.00 0.00 O ATOM 988 CB ALA A 59 -6.845 11.596 2.028 1.00 0.00 C ATOM 0 H ALA A 59 -7.563 10.006 3.773 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.995 12.669 3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.675 12.466 1.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.999 11.468 2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.950 10.708 1.405 1.00 0.00 H new ATOM 994 N THR A 60 -9.790 11.023 1.258 1.00 0.00 N ATOM 995 CA THR A 60 -10.914 11.160 0.338 1.00 0.00 C ATOM 996 C THR A 60 -11.889 9.990 0.466 1.00 0.00 C ATOM 997 O THR A 60 -12.723 9.772 -0.411 1.00 0.00 O ATOM 998 CB THR A 60 -10.408 11.259 -1.101 1.00 0.00 C ATOM 999 OG1 THR A 60 -9.779 10.052 -1.497 1.00 0.00 O ATOM 1000 CG2 THR A 60 -9.415 12.382 -1.309 1.00 0.00 C ATOM 0 H THR A 60 -9.432 10.072 1.351 1.00 0.00 H new ATOM 0 HA THR A 60 -11.447 12.074 0.599 1.00 0.00 H new ATOM 0 HB THR A 60 -11.293 11.460 -1.705 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.464 10.135 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.096 12.397 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.884 13.334 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.549 12.225 -0.666 1.00 0.00 H new ATOM 1008 N GLY A 61 -11.781 9.238 1.560 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.665 8.104 1.765 1.00 0.00 C ATOM 1010 C GLY A 61 -12.554 7.077 0.655 1.00 0.00 C ATOM 1011 O GLY A 61 -13.549 6.468 0.261 1.00 0.00 O ATOM 0 H GLY A 61 -11.101 9.393 2.304 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.430 7.631 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.695 8.456 1.829 1.00 0.00 H new ATOM 1015 N THR A 62 -11.341 6.886 0.148 1.00 0.00 N ATOM 1016 CA THR A 62 -11.102 5.928 -0.925 1.00 0.00 C ATOM 1017 C THR A 62 -10.630 4.587 -0.368 1.00 0.00 C ATOM 1018 O THR A 62 -9.738 4.536 0.479 1.00 0.00 O ATOM 1019 CB THR A 62 -10.063 6.478 -1.905 1.00 0.00 C ATOM 1020 OG1 THR A 62 -9.790 5.537 -2.927 1.00 0.00 O ATOM 1021 CG2 THR A 62 -8.747 6.836 -1.247 1.00 0.00 C ATOM 0 H THR A 62 -10.507 7.382 0.463 1.00 0.00 H new ATOM 0 HA THR A 62 -12.044 5.770 -1.451 1.00 0.00 H new ATOM 0 HB THR A 62 -10.505 7.387 -2.312 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.125 5.908 -3.544 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.057 7.219 -1.999 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.916 7.599 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.320 5.948 -0.781 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.228 3.504 -0.855 1.00 0.00 N ATOM 1030 CA ASN A 63 -10.860 2.164 -0.410 1.00 0.00 C ATOM 1031 C ASN A 63 -9.589 1.709 -1.117 1.00 0.00 C ATOM 1032 O ASN A 63 -9.430 1.921 -2.318 1.00 0.00 O ATOM 1033 CB ASN A 63 -11.997 1.178 -0.686 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.744 -0.183 -0.068 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -10.863 -0.960 -0.687 1.00 0.00 O flip ATOM 1036 ND2 ASN A 63 -12.335 -0.532 0.955 1.00 0.00 N flip ATOM 0 H ASN A 63 -11.968 3.528 -1.557 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.678 2.192 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -12.930 1.584 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.125 1.067 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.004 0.098 1.397 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -12.155 -1.451 1.360 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.677 1.098 -0.367 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.419 0.642 -0.939 1.00 0.00 C ATOM 1045 C LEU A 64 -7.041 -0.758 -0.467 1.00 0.00 C ATOM 1046 O LEU A 64 -6.869 -1.001 0.726 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.298 1.618 -0.579 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.284 2.913 -1.391 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.144 4.121 -0.475 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.160 2.886 -2.417 1.00 0.00 C ATOM 0 H LEU A 64 -8.786 0.909 0.629 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.553 0.603 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.382 1.870 0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.341 1.113 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.233 2.996 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.136 5.032 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.983 4.150 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.212 4.047 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.165 3.816 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.203 2.778 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.306 2.045 -3.095 1.00 0.00 H new ATOM 1062 N SER A 65 -6.875 -1.661 -1.426 1.00 0.00 N ATOM 1063 CA SER A 65 -6.471 -3.031 -1.138 1.00 0.00 C ATOM 1064 C SER A 65 -5.087 -3.262 -1.727 1.00 0.00 C ATOM 1065 O SER A 65 -4.939 -3.404 -2.941 1.00 0.00 O ATOM 1066 CB SER A 65 -7.472 -4.026 -1.728 1.00 0.00 C ATOM 1067 OG SER A 65 -8.787 -3.497 -1.715 1.00 0.00 O ATOM 0 H SER A 65 -7.015 -1.466 -2.417 1.00 0.00 H new ATOM 0 HA SER A 65 -6.446 -3.184 -0.059 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.186 -4.271 -2.751 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.445 -4.955 -1.158 1.00 0.00 H new ATOM 0 HG SER A 65 -9.407 -4.152 -2.099 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.067 -3.252 -0.875 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.697 -3.413 -1.347 1.00 0.00 C ATOM 1075 C LEU A 66 -2.029 -4.682 -0.828 1.00 0.00 C ATOM 1076 O LEU A 66 -2.334 -5.171 0.261 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.853 -2.187 -0.973 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.290 -1.402 0.273 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.591 -0.652 0.028 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.410 -2.315 1.484 1.00 0.00 C ATOM 0 H LEU A 66 -4.161 -3.136 0.134 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.755 -3.505 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.824 -2.515 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.851 -1.504 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.515 -0.665 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.872 -0.107 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.456 0.051 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.378 -1.362 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.721 -1.731 2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.150 -3.090 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.445 -2.779 1.687 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.095 -5.191 -1.628 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.335 -6.387 -1.287 1.00 0.00 C ATOM 1094 C GLN A 67 1.133 -6.021 -1.097 1.00 0.00 C ATOM 1095 O GLN A 67 1.831 -5.694 -2.056 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.474 -7.442 -2.387 1.00 0.00 C ATOM 1097 CG GLN A 67 -1.904 -7.640 -2.862 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.202 -6.888 -4.144 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.684 -7.223 -5.209 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.041 -5.862 -4.047 1.00 0.00 N ATOM 0 H GLN A 67 -0.845 -4.785 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.728 -6.803 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.146 -7.153 -3.236 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.087 -8.392 -2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.087 -8.703 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.591 -7.309 -2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.447 -5.619 -3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.279 -5.317 -4.876 1.00 0.00 H new ATOM 1109 N PHE A 68 1.588 -6.054 0.149 1.00 0.00 N ATOM 1110 CA PHE A 68 2.968 -5.702 0.469 1.00 0.00 C ATOM 1111 C PHE A 68 3.855 -6.921 0.670 1.00 0.00 C ATOM 1112 O PHE A 68 3.580 -7.788 1.500 1.00 0.00 O ATOM 1113 CB PHE A 68 3.024 -4.805 1.703 1.00 0.00 C ATOM 1114 CG PHE A 68 1.789 -4.850 2.549 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.455 -5.981 3.280 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.965 -3.744 2.618 1.00 0.00 C ATOM 1117 CE1 PHE A 68 0.325 -5.999 4.066 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.169 -3.759 3.394 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.487 -4.887 4.123 1.00 0.00 C ATOM 0 H PHE A 68 1.023 -6.321 0.955 1.00 0.00 H new ATOM 0 HA PHE A 68 3.357 -5.159 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.879 -5.097 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.196 -3.777 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.087 -6.855 3.232 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.215 -2.857 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.076 -6.882 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.810 -2.890 3.433 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.374 -4.898 4.739 1.00 0.00 H new ATOM 1129 N PHE A 69 4.935 -6.953 -0.096 1.00 0.00 N ATOM 1130 CA PHE A 69 5.915 -8.030 -0.032 1.00 0.00 C ATOM 1131 C PHE A 69 7.246 -7.575 -0.622 1.00 0.00 C ATOM 1132 O PHE A 69 7.284 -6.670 -1.455 1.00 0.00 O ATOM 1133 CB PHE A 69 5.412 -9.272 -0.772 1.00 0.00 C ATOM 1134 CG PHE A 69 4.636 -10.229 0.092 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.971 -10.421 1.427 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.571 -10.941 -0.433 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.258 -11.303 2.214 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.854 -11.825 0.352 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.200 -12.005 1.677 1.00 0.00 C ATOM 0 H PHE A 69 5.158 -6.232 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 69 6.062 -8.289 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.781 -8.956 -1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.266 -9.797 -1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.799 -9.874 1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.297 -10.804 -1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.529 -11.443 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.025 -12.374 -0.070 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.642 -12.695 2.292 1.00 0.00 H new ATOM 1149 N PRO A 70 8.359 -8.199 -0.208 1.00 0.00 N ATOM 1150 CA PRO A 70 9.688 -7.850 -0.718 1.00 0.00 C ATOM 1151 C PRO A 70 9.771 -7.990 -2.235 1.00 0.00 C ATOM 1152 O PRO A 70 9.758 -9.099 -2.767 1.00 0.00 O ATOM 1153 CB PRO A 70 10.619 -8.857 -0.037 1.00 0.00 C ATOM 1154 CG PRO A 70 9.865 -9.334 1.158 1.00 0.00 C ATOM 1155 CD PRO A 70 8.413 -9.295 0.774 1.00 0.00 C ATOM 0 HA PRO A 70 9.945 -6.812 -0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.863 -9.683 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.561 -8.391 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.169 -10.344 1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.058 -8.697 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 70 8.084 -10.240 0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.773 -9.098 1.634 1.00 0.00 H new ATOM 1163 N ALA A 71 9.853 -6.856 -2.923 1.00 0.00 N ATOM 1164 CA ALA A 71 9.936 -6.847 -4.379 1.00 0.00 C ATOM 1165 C ALA A 71 11.215 -7.519 -4.873 1.00 0.00 C ATOM 1166 O ALA A 71 11.332 -7.856 -6.052 1.00 0.00 O ATOM 1167 CB ALA A 71 9.853 -5.421 -4.900 1.00 0.00 C ATOM 0 H ALA A 71 9.864 -5.930 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 71 9.092 -7.418 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.916 -5.427 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.906 -4.976 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.677 -4.836 -4.492 1.00 0.00 H new ATOM 1173 N SER A 72 12.174 -7.712 -3.972 1.00 0.00 N ATOM 1174 CA SER A 72 13.441 -8.340 -4.329 1.00 0.00 C ATOM 1175 C SER A 72 13.410 -9.844 -4.060 1.00 0.00 C ATOM 1176 O SER A 72 14.450 -10.462 -3.831 1.00 0.00 O ATOM 1177 CB SER A 72 14.589 -7.697 -3.548 1.00 0.00 C ATOM 1178 OG SER A 72 15.146 -6.608 -4.265 1.00 0.00 O ATOM 0 H SER A 72 12.098 -7.443 -2.991 1.00 0.00 H new ATOM 0 HA SER A 72 13.600 -8.187 -5.396 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.226 -7.352 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.361 -8.441 -3.352 1.00 0.00 H new ATOM 0 HG SER A 72 15.876 -6.213 -3.744 1.00 0.00 H new ATOM 1319 N PRO A 81 6.429 -12.142 5.973 1.00 0.00 N ATOM 1320 CA PRO A 81 6.274 -10.718 6.259 1.00 0.00 C ATOM 1321 C PRO A 81 7.599 -10.070 6.641 1.00 0.00 C ATOM 1322 O PRO A 81 7.986 -10.073 7.810 1.00 0.00 O ATOM 1323 CB PRO A 81 5.327 -10.730 7.451 1.00 0.00 C ATOM 1324 CG PRO A 81 5.718 -11.954 8.205 1.00 0.00 C ATOM 1325 CD PRO A 81 6.160 -12.965 7.170 1.00 0.00 C ATOM 0 HA PRO A 81 5.913 -10.148 5.403 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.439 -9.833 8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.285 -10.772 7.133 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.524 -11.738 8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.880 -12.336 8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.049 -13.506 7.493 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.386 -13.708 6.980 1.00 0.00 H new ATOM 1333 N SER A 82 8.298 -9.522 5.654 1.00 0.00 N ATOM 1334 CA SER A 82 9.582 -8.881 5.903 1.00 0.00 C ATOM 1335 C SER A 82 9.390 -7.458 6.407 1.00 0.00 C ATOM 1336 O SER A 82 8.525 -6.729 5.922 1.00 0.00 O ATOM 1337 CB SER A 82 10.429 -8.880 4.629 1.00 0.00 C ATOM 1338 OG SER A 82 11.670 -9.531 4.840 1.00 0.00 O ATOM 0 H SER A 82 7.999 -9.509 4.679 1.00 0.00 H new ATOM 0 HA SER A 82 10.103 -9.449 6.674 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.885 -9.379 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.604 -7.854 4.306 1.00 0.00 H new ATOM 0 HG SER A 82 12.402 -8.933 4.580 1.00 0.00 H new ATOM 1344 N ARG A 83 10.213 -7.062 7.375 1.00 0.00 N ATOM 1345 CA ARG A 83 10.140 -5.716 7.934 1.00 0.00 C ATOM 1346 C ARG A 83 10.664 -4.681 6.937 1.00 0.00 C ATOM 1347 O ARG A 83 10.693 -3.485 7.230 1.00 0.00 O ATOM 1348 CB ARG A 83 10.925 -5.626 9.249 1.00 0.00 C ATOM 1349 CG ARG A 83 10.870 -6.894 10.095 1.00 0.00 C ATOM 1350 CD ARG A 83 9.438 -7.300 10.408 1.00 0.00 C ATOM 1351 NE ARG A 83 9.222 -8.734 10.223 1.00 0.00 N ATOM 1352 CZ ARG A 83 9.365 -9.642 11.188 1.00 0.00 C ATOM 1353 NH1 ARG A 83 9.735 -9.275 12.409 1.00 0.00 N ATOM 1354 NH2 ARG A 83 9.139 -10.922 10.928 1.00 0.00 N ATOM 0 H ARG A 83 10.936 -7.652 7.787 1.00 0.00 H new ATOM 0 HA ARG A 83 9.092 -5.499 8.140 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.967 -5.398 9.023 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.536 -4.794 9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.371 -7.705 9.567 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.415 -6.734 11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.200 -7.027 11.436 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.755 -6.745 9.765 1.00 0.00 H new ATOM 0 HE ARG A 83 8.944 -9.060 9.297 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.912 -8.292 12.614 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.842 -9.976 13.142 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.856 -11.210 9.991 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.248 -11.619 11.665 1.00 0.00 H new ATOM 1368 N GLU A 84 11.053 -5.142 5.747 1.00 0.00 N ATOM 1369 CA GLU A 84 11.542 -4.253 4.704 1.00 0.00 C ATOM 1370 C GLU A 84 10.372 -3.511 4.100 1.00 0.00 C ATOM 1371 O GLU A 84 10.452 -2.319 3.802 1.00 0.00 O ATOM 1372 CB GLU A 84 12.279 -5.049 3.623 1.00 0.00 C ATOM 1373 CG GLU A 84 13.772 -5.175 3.873 1.00 0.00 C ATOM 1374 CD GLU A 84 14.156 -6.534 4.425 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.553 -7.540 4.000 1.00 0.00 O ATOM 1376 OE2 GLU A 84 15.061 -6.591 5.285 1.00 0.00 O ATOM 0 H GLU A 84 11.037 -6.128 5.486 1.00 0.00 H new ATOM 0 HA GLU A 84 12.243 -3.540 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.844 -6.046 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.120 -4.569 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.309 -5.000 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.087 -4.400 4.572 1.00 0.00 H new ATOM 1383 N TYR A 85 9.276 -4.236 3.939 1.00 0.00 N ATOM 1384 CA TYR A 85 8.064 -3.674 3.390 1.00 0.00 C ATOM 1385 C TYR A 85 6.994 -3.629 4.469 1.00 0.00 C ATOM 1386 O TYR A 85 6.347 -2.606 4.670 1.00 0.00 O ATOM 1387 CB TYR A 85 7.598 -4.494 2.190 1.00 0.00 C ATOM 1388 CG TYR A 85 8.444 -4.265 0.958 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.832 -4.188 1.048 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.860 -4.117 -0.291 1.00 0.00 C ATOM 1391 CE1 TYR A 85 10.607 -3.972 -0.075 1.00 0.00 C ATOM 1392 CE2 TYR A 85 8.628 -3.903 -1.419 1.00 0.00 C ATOM 1393 CZ TYR A 85 10.001 -3.831 -1.306 1.00 0.00 C ATOM 1394 OH TYR A 85 10.770 -3.616 -2.426 1.00 0.00 O ATOM 0 H TYR A 85 9.207 -5.223 4.185 1.00 0.00 H new ATOM 0 HA TYR A 85 8.257 -2.658 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.621 -5.553 2.449 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.561 -4.243 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.309 -4.299 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.785 -4.170 -0.383 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.682 -3.914 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.156 -3.793 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 85 11.644 -4.043 -2.309 1.00 0.00 H new ATOM 1404 N VAL A 86 6.840 -4.737 5.189 1.00 0.00 N ATOM 1405 CA VAL A 86 5.881 -4.810 6.272 1.00 0.00 C ATOM 1406 C VAL A 86 6.593 -5.087 7.586 1.00 0.00 C ATOM 1407 O VAL A 86 7.089 -6.190 7.818 1.00 0.00 O ATOM 1408 CB VAL A 86 4.829 -5.901 6.029 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.862 -5.480 4.935 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.486 -7.230 5.685 1.00 0.00 C ATOM 0 H VAL A 86 7.371 -5.594 5.037 1.00 0.00 H new ATOM 0 HA VAL A 86 5.372 -3.847 6.319 1.00 0.00 H new ATOM 0 HB VAL A 86 4.265 -6.035 6.952 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.125 -6.267 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.355 -4.562 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.412 -5.309 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.717 -7.984 5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.085 -7.117 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.128 -7.543 6.509 1.00 0.00 H new ATOM 1420 N ASP A 87 6.649 -4.076 8.437 1.00 0.00 N ATOM 1421 CA ASP A 87 7.317 -4.199 9.723 1.00 0.00 C ATOM 1422 C ASP A 87 6.336 -4.545 10.833 1.00 0.00 C ATOM 1423 O ASP A 87 5.329 -3.866 11.029 1.00 0.00 O ATOM 1424 CB ASP A 87 8.051 -2.901 10.063 1.00 0.00 C ATOM 1425 CG ASP A 87 9.155 -3.110 11.081 1.00 0.00 C ATOM 1426 OD1 ASP A 87 9.010 -4.008 11.938 1.00 0.00 O ATOM 1427 OD2 ASP A 87 10.164 -2.377 11.023 1.00 0.00 O ATOM 0 H ASP A 87 6.239 -3.159 8.260 1.00 0.00 H new ATOM 0 HA ASP A 87 8.037 -5.013 9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.476 -2.478 9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.337 -2.174 10.450 1.00 0.00 H new ATOM 1515 N GLY A 93 3.860 2.405 18.330 1.00 0.00 N ATOM 1516 CA GLY A 93 2.564 2.031 18.864 1.00 0.00 C ATOM 1517 C GLY A 93 1.658 1.428 17.805 1.00 0.00 C ATOM 1518 O GLY A 93 0.614 0.859 18.122 1.00 0.00 O ATOM 0 HA2 GLY A 93 2.700 1.314 19.674 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.083 2.910 19.293 1.00 0.00 H new ATOM 1522 N LYS A 94 2.062 1.555 16.542 1.00 0.00 N ATOM 1523 CA LYS A 94 1.290 1.024 15.426 1.00 0.00 C ATOM 1524 C LYS A 94 2.218 0.324 14.437 1.00 0.00 C ATOM 1525 O LYS A 94 3.435 0.309 14.623 1.00 0.00 O ATOM 1526 CB LYS A 94 0.520 2.146 14.717 1.00 0.00 C ATOM 1527 CG LYS A 94 0.347 3.407 15.553 1.00 0.00 C ATOM 1528 CD LYS A 94 1.432 4.428 15.251 1.00 0.00 C ATOM 1529 CE LYS A 94 1.497 5.504 16.323 1.00 0.00 C ATOM 1530 NZ LYS A 94 1.857 6.833 15.756 1.00 0.00 N ATOM 0 H LYS A 94 2.925 2.024 16.268 1.00 0.00 H new ATOM 0 HA LYS A 94 0.571 0.304 15.815 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.041 2.403 13.795 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.464 1.773 14.433 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.631 3.845 15.355 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.373 3.149 16.612 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.397 3.925 15.179 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.240 4.889 14.282 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.533 5.573 16.826 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.231 5.221 17.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.710 7.569 16.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.855 6.827 15.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.257 7.032 14.930 1.00 0.00 H new ATOM 1544 N VAL A 95 1.645 -0.260 13.389 1.00 0.00 N ATOM 1545 CA VAL A 95 2.436 -0.962 12.382 1.00 0.00 C ATOM 1546 C VAL A 95 2.251 -0.346 10.998 1.00 0.00 C ATOM 1547 O VAL A 95 1.130 -0.059 10.585 1.00 0.00 O ATOM 1548 CB VAL A 95 2.062 -2.458 12.320 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.550 -2.630 12.311 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.688 -3.125 11.101 1.00 0.00 C ATOM 0 H VAL A 95 0.640 -0.262 13.215 1.00 0.00 H new ATOM 0 HA VAL A 95 3.480 -0.864 12.679 1.00 0.00 H new ATOM 0 HB VAL A 95 2.458 -2.945 13.211 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.305 -3.691 12.267 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.129 -2.198 13.219 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.131 -2.125 11.441 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.410 -4.179 11.080 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.330 -2.637 10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.773 -3.037 11.155 1.00 0.00 H new ATOM 1560 N TYR A 96 3.359 -0.174 10.275 1.00 0.00 N ATOM 1561 CA TYR A 96 3.311 0.380 8.921 1.00 0.00 C ATOM 1562 C TYR A 96 3.903 -0.577 7.896 1.00 0.00 C ATOM 1563 O TYR A 96 4.857 -1.301 8.176 1.00 0.00 O ATOM 1564 CB TYR A 96 4.004 1.746 8.817 1.00 0.00 C ATOM 1565 CG TYR A 96 4.970 2.096 9.932 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.887 1.177 10.437 1.00 0.00 C ATOM 1567 CD2 TYR A 96 4.966 3.376 10.470 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.765 1.530 11.441 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.842 3.735 11.472 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.740 2.810 11.955 1.00 0.00 C ATOM 1571 OH TYR A 96 7.616 3.163 12.956 1.00 0.00 O ATOM 0 H TYR A 96 4.296 -0.409 10.602 1.00 0.00 H new ATOM 0 HA TYR A 96 2.254 0.522 8.698 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.545 1.784 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.235 2.517 8.776 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.911 0.174 10.037 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.262 4.105 10.096 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.470 0.806 11.823 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.824 4.736 11.876 1.00 0.00 H new ATOM 0 HH TYR A 96 7.468 4.099 13.205 1.00 0.00 H new ATOM 1581 N LEU A 97 3.322 -0.567 6.698 1.00 0.00 N ATOM 1582 CA LEU A 97 3.780 -1.426 5.615 1.00 0.00 C ATOM 1583 C LEU A 97 3.749 -0.689 4.278 1.00 0.00 C ATOM 1584 O LEU A 97 3.007 0.278 4.108 1.00 0.00 O ATOM 1585 CB LEU A 97 2.928 -2.697 5.532 1.00 0.00 C ATOM 1586 CG LEU A 97 1.422 -2.495 5.741 1.00 0.00 C ATOM 1587 CD1 LEU A 97 1.104 -2.068 7.168 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.887 -1.474 4.757 1.00 0.00 C ATOM 0 H LEU A 97 2.531 0.029 6.455 1.00 0.00 H new ATOM 0 HA LEU A 97 4.811 -1.707 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.084 -3.155 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.289 -3.405 6.278 1.00 0.00 H new ATOM 0 HG LEU A 97 0.933 -3.453 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.028 -1.935 7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.447 -2.835 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.610 -1.128 7.388 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.183 -1.341 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.398 -0.523 4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.061 -1.823 3.739 1.00 0.00 H new ATOM 1600 N LYS A 98 4.560 -1.167 3.334 1.00 0.00 N ATOM 1601 CA LYS A 98 4.638 -0.578 2.000 1.00 0.00 C ATOM 1602 C LYS A 98 4.318 -1.626 0.944 1.00 0.00 C ATOM 1603 O LYS A 98 4.946 -2.682 0.899 1.00 0.00 O ATOM 1604 CB LYS A 98 6.035 -0.012 1.739 1.00 0.00 C ATOM 1605 CG LYS A 98 6.626 0.747 2.913 1.00 0.00 C ATOM 1606 CD LYS A 98 7.631 1.791 2.446 1.00 0.00 C ATOM 1607 CE LYS A 98 9.058 1.371 2.760 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.588 2.064 3.967 1.00 0.00 N ATOM 0 H LYS A 98 5.177 -1.968 3.472 1.00 0.00 H new ATOM 0 HA LYS A 98 3.910 0.231 1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.704 -0.832 1.476 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.991 0.652 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.828 1.233 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.113 0.048 3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.524 1.946 1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.417 2.745 2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.093 0.293 2.916 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.698 1.591 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.563 1.750 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.579 3.092 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.993 1.834 4.788 1.00 0.00 H new ATOM 1622 N ALA A 99 3.341 -1.334 0.093 1.00 0.00 N ATOM 1623 CA ALA A 99 2.950 -2.266 -0.955 1.00 0.00 C ATOM 1624 C ALA A 99 2.976 -1.607 -2.333 1.00 0.00 C ATOM 1625 O ALA A 99 2.530 -0.471 -2.494 1.00 0.00 O ATOM 1626 CB ALA A 99 1.565 -2.820 -0.668 1.00 0.00 C ATOM 0 H ALA A 99 2.809 -0.464 0.109 1.00 0.00 H new ATOM 0 HA ALA A 99 3.673 -3.082 -0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.281 -3.516 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.573 -3.340 0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.846 -2.001 -0.630 1.00 0.00 H new ATOM 1632 N PRO A 100 3.495 -2.318 -3.351 1.00 0.00 N ATOM 1633 CA PRO A 100 3.573 -1.810 -4.713 1.00 0.00 C ATOM 1634 C PRO A 100 2.338 -2.185 -5.526 1.00 0.00 C ATOM 1635 O PRO A 100 2.033 -3.365 -5.697 1.00 0.00 O ATOM 1636 CB PRO A 100 4.810 -2.521 -5.251 1.00 0.00 C ATOM 1637 CG PRO A 100 4.828 -3.844 -4.549 1.00 0.00 C ATOM 1638 CD PRO A 100 4.052 -3.679 -3.259 1.00 0.00 C ATOM 0 HA PRO A 100 3.626 -0.722 -4.764 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.754 -2.648 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.715 -1.951 -5.043 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.377 -4.616 -5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.852 -4.157 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.265 -4.427 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.698 -3.788 -2.388 1.00 0.00 H new ATOM 1646 N MET A 101 1.625 -1.177 -6.014 1.00 0.00 N ATOM 1647 CA MET A 101 0.416 -1.409 -6.796 1.00 0.00 C ATOM 1648 C MET A 101 0.386 -0.525 -8.037 1.00 0.00 C ATOM 1649 O MET A 101 1.227 0.357 -8.204 1.00 0.00 O ATOM 1650 CB MET A 101 -0.821 -1.140 -5.939 1.00 0.00 C ATOM 1651 CG MET A 101 -0.865 0.269 -5.370 1.00 0.00 C ATOM 1652 SD MET A 101 -1.313 0.306 -3.624 1.00 0.00 S ATOM 1653 CE MET A 101 -3.019 0.840 -3.722 1.00 0.00 C ATOM 0 H MET A 101 1.862 -0.194 -5.883 1.00 0.00 H new ATOM 0 HA MET A 101 0.416 -2.451 -7.117 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.714 -1.309 -6.540 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.848 -1.857 -5.118 1.00 0.00 H new ATOM 0 HG2 MET A 101 0.110 0.739 -5.500 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.583 0.862 -5.937 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.531 0.594 -2.792 1.00 0.00 H new ATOM 0 HE2 MET A 101 -3.054 1.918 -3.881 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.511 0.334 -4.552 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.591 -0.770 -8.904 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.731 0.003 -10.130 1.00 0.00 C ATOM 1665 C ILE A 102 -1.911 0.967 -10.042 1.00 0.00 C ATOM 1666 O ILE A 102 -3.070 0.561 -10.139 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.916 -0.915 -11.356 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.279 -1.860 -11.496 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.098 -0.090 -12.625 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.557 -1.164 -11.914 1.00 0.00 C ATOM 0 H ILE A 102 -1.296 -1.497 -8.780 1.00 0.00 H new ATOM 0 HA ILE A 102 0.190 0.574 -10.251 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.816 -1.512 -11.207 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.445 -2.366 -10.545 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.038 -2.630 -12.229 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.227 -0.757 -13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.979 0.544 -12.524 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.218 0.534 -12.782 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.361 -1.896 -11.993 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.409 -0.682 -12.880 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.822 -0.413 -11.170 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.604 2.249 -9.878 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.632 3.281 -9.798 1.00 0.00 C ATOM 1684 C LEU A 103 -2.758 3.982 -11.142 1.00 0.00 C ATOM 1685 O LEU A 103 -1.790 4.065 -11.879 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.302 4.298 -8.704 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.864 3.965 -7.320 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.544 5.076 -6.332 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.367 3.736 -7.397 1.00 0.00 C ATOM 0 H LEU A 103 -0.649 2.599 -9.798 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.581 2.807 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.218 4.388 -8.627 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.682 5.273 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.393 3.047 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.952 4.821 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.463 5.194 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.988 6.010 -6.678 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.750 3.500 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.854 4.637 -7.769 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.574 2.906 -8.073 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.956 4.469 -11.452 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.239 5.160 -12.722 1.00 0.00 C ATOM 1703 C ASN A 104 -3.027 5.223 -13.666 1.00 0.00 C ATOM 1704 O ASN A 104 -2.308 6.221 -13.705 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.722 6.580 -12.430 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.234 6.672 -12.351 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.815 6.633 -11.267 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -6.880 6.793 -13.505 1.00 0.00 N ATOM 0 H ASN A 104 -4.764 4.399 -10.834 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.009 4.579 -13.231 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.290 6.921 -11.489 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -4.360 7.251 -13.209 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.898 6.858 -13.515 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.358 6.821 -14.381 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.830 4.148 -14.435 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.729 4.078 -15.394 1.00 0.00 C ATOM 1717 C GLY A 105 -0.418 4.641 -14.868 1.00 0.00 C ATOM 1718 O GLY A 105 0.197 5.492 -15.510 1.00 0.00 O ATOM 0 H GLY A 105 -3.419 3.316 -14.410 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.577 3.038 -15.683 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.011 4.621 -16.296 1.00 0.00 H new ATOM 1722 N VAL A 106 0.005 4.163 -13.703 1.00 0.00 N ATOM 1723 CA VAL A 106 1.241 4.612 -13.076 1.00 0.00 C ATOM 1724 C VAL A 106 1.651 3.648 -11.966 1.00 0.00 C ATOM 1725 O VAL A 106 0.802 3.115 -11.253 1.00 0.00 O ATOM 1726 CB VAL A 106 1.081 6.027 -12.472 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.267 6.380 -11.585 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.906 7.067 -13.567 1.00 0.00 C ATOM 0 H VAL A 106 -0.498 3.455 -13.168 1.00 0.00 H new ATOM 0 HA VAL A 106 2.009 4.640 -13.849 1.00 0.00 H new ATOM 0 HB VAL A 106 0.183 6.026 -11.854 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.129 7.380 -11.173 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.340 5.659 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.183 6.354 -12.175 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.795 8.054 -13.117 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.780 7.061 -14.218 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.017 6.833 -14.152 1.00 0.00 H new ATOM 1738 N CYS A 107 2.954 3.441 -11.812 1.00 0.00 N ATOM 1739 CA CYS A 107 3.458 2.556 -10.771 1.00 0.00 C ATOM 1740 C CYS A 107 3.517 3.303 -9.445 1.00 0.00 C ATOM 1741 O CYS A 107 4.225 4.303 -9.319 1.00 0.00 O ATOM 1742 CB CYS A 107 4.841 2.020 -11.144 1.00 0.00 C ATOM 1743 SG CYS A 107 5.107 0.291 -10.688 1.00 0.00 S ATOM 0 H CYS A 107 3.675 3.871 -12.391 1.00 0.00 H new ATOM 0 HA CYS A 107 2.781 1.708 -10.671 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.983 2.127 -12.219 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.600 2.634 -10.659 1.00 0.00 H new ATOM 0 HG CYS A 107 6.290 0.157 -10.166 1.00 0.00 H new ATOM 1749 N VAL A 108 2.754 2.833 -8.464 1.00 0.00 N ATOM 1750 CA VAL A 108 2.710 3.487 -7.165 1.00 0.00 C ATOM 1751 C VAL A 108 2.956 2.513 -6.017 1.00 0.00 C ATOM 1752 O VAL A 108 3.001 1.298 -6.209 1.00 0.00 O ATOM 1753 CB VAL A 108 1.353 4.183 -6.953 1.00 0.00 C ATOM 1754 CG1 VAL A 108 1.123 5.239 -8.027 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.224 3.164 -6.953 1.00 0.00 C ATOM 0 H VAL A 108 2.162 2.007 -8.544 1.00 0.00 H new ATOM 0 HA VAL A 108 3.511 4.226 -7.162 1.00 0.00 H new ATOM 0 HB VAL A 108 1.367 4.677 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.159 5.721 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.916 5.986 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.129 4.766 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.727 3.675 -6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.207 2.640 -7.909 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.382 2.446 -6.148 1.00 0.00 H new ATOM 1765 N ILE A 109 3.113 3.071 -4.821 1.00 0.00 N ATOM 1766 CA ILE A 109 3.351 2.285 -3.618 1.00 0.00 C ATOM 1767 C ILE A 109 2.584 2.869 -2.438 1.00 0.00 C ATOM 1768 O ILE A 109 2.846 3.996 -2.019 1.00 0.00 O ATOM 1769 CB ILE A 109 4.846 2.254 -3.238 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.734 2.096 -4.480 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.107 1.130 -2.244 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.192 1.845 -4.149 1.00 0.00 C ATOM 0 H ILE A 109 3.079 4.078 -4.660 1.00 0.00 H new ATOM 0 HA ILE A 109 3.012 1.272 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 109 5.100 3.206 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.358 1.270 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.657 2.996 -5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.165 1.115 -1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.512 1.293 -1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.831 0.176 -2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.762 1.743 -5.072 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.583 2.682 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.280 0.929 -3.565 1.00 0.00 H new ATOM 1784 N TRP A 110 1.643 2.104 -1.895 1.00 0.00 N ATOM 1785 CA TRP A 110 0.864 2.575 -0.757 1.00 0.00 C ATOM 1786 C TRP A 110 1.519 2.158 0.554 1.00 0.00 C ATOM 1787 O TRP A 110 1.674 0.970 0.831 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.569 2.039 -0.805 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.425 2.583 0.300 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.271 3.653 0.229 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.508 2.094 1.647 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.872 3.862 1.447 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.421 2.920 2.334 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.901 1.042 2.344 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.739 2.726 3.676 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.218 0.854 3.675 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.127 1.691 4.329 1.00 0.00 C ATOM 0 H TRP A 110 1.404 1.167 -2.220 1.00 0.00 H new ATOM 0 HA TRP A 110 0.832 3.663 -0.812 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -1.017 2.294 -1.766 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.548 0.951 -0.742 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.443 4.248 -0.656 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.545 4.599 1.657 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.197 0.389 1.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.443 3.369 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.755 0.045 4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.351 1.517 5.371 1.00 0.00 H new ATOM 1808 N LYS A 111 1.892 3.144 1.361 1.00 0.00 N ATOM 1809 CA LYS A 111 2.520 2.877 2.646 1.00 0.00 C ATOM 1810 C LYS A 111 1.805 3.639 3.753 1.00 0.00 C ATOM 1811 O LYS A 111 1.491 4.820 3.604 1.00 0.00 O ATOM 1812 CB LYS A 111 4.004 3.251 2.604 1.00 0.00 C ATOM 1813 CG LYS A 111 4.661 3.343 3.973 1.00 0.00 C ATOM 1814 CD LYS A 111 4.450 4.712 4.591 1.00 0.00 C ATOM 1815 CE LYS A 111 4.164 4.614 6.082 1.00 0.00 C ATOM 1816 NZ LYS A 111 3.839 5.941 6.673 1.00 0.00 N ATOM 0 H LYS A 111 1.770 4.134 1.147 1.00 0.00 H new ATOM 0 HA LYS A 111 2.442 1.810 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.537 2.512 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.112 4.209 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 111 4.248 2.577 4.630 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.729 3.143 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.336 5.326 4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.620 5.213 4.093 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.332 3.929 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.031 4.192 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.651 5.831 7.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 4.642 6.588 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.997 6.333 6.205 1.00 0.00 H new ATOM 1830 N GLY A 112 1.548 2.959 4.862 1.00 0.00 N ATOM 1831 CA GLY A 112 0.869 3.602 5.974 1.00 0.00 C ATOM 1832 C GLY A 112 0.839 2.743 7.220 1.00 0.00 C ATOM 1833 O GLY A 112 1.048 1.531 7.150 1.00 0.00 O ATOM 0 H GLY A 112 1.795 1.981 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.366 4.545 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.153 3.843 5.680 1.00 0.00 H new ATOM 1837 N TRP A 113 0.578 3.370 8.367 1.00 0.00 N ATOM 1838 CA TRP A 113 0.523 2.645 9.630 1.00 0.00 C ATOM 1839 C TRP A 113 -0.868 2.705 10.249 1.00 0.00 C ATOM 1840 O TRP A 113 -1.565 3.718 10.155 1.00 0.00 O ATOM 1841 CB TRP A 113 1.558 3.186 10.624 1.00 0.00 C ATOM 1842 CG TRP A 113 1.305 4.595 11.066 1.00 0.00 C ATOM 1843 CD1 TRP A 113 1.996 5.710 10.686 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.302 5.038 11.986 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.474 6.821 11.304 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.434 6.434 12.108 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.700 4.390 12.714 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.397 7.191 12.931 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.522 5.142 13.530 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.367 6.528 13.633 1.00 0.00 C ATOM 0 H TRP A 113 0.403 4.372 8.445 1.00 0.00 H new ATOM 0 HA TRP A 113 0.757 1.603 9.410 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.576 2.539 11.501 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.547 3.132 10.168 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.830 5.718 10.000 1.00 0.00 H new ATOM 0 HE1 TRP A 113 1.807 7.778 11.184 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.829 3.320 12.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -0.280 8.262 13.012 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.298 4.651 14.099 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.027 7.087 14.280 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.250 1.612 10.900 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.540 1.512 11.566 1.00 0.00 C ATOM 1863 C ILE A 114 -2.329 1.116 13.018 1.00 0.00 C ATOM 1864 O ILE A 114 -1.353 0.438 13.338 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.477 0.478 10.898 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.686 -0.669 10.248 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.372 1.159 9.875 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -1.984 -0.278 8.963 1.00 0.00 C ATOM 0 H ILE A 114 -0.675 0.773 10.980 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.017 2.489 11.491 1.00 0.00 H new ATOM 0 HB ILE A 114 -4.102 0.043 11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.945 -1.035 10.959 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.366 -1.496 10.042 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.026 0.419 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.977 1.919 10.369 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -3.756 1.628 9.108 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.448 -1.139 8.565 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -2.721 0.060 8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.278 0.527 9.165 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.235 1.529 13.896 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.101 1.196 15.307 1.00 0.00 C ATOM 1882 C ASP A 115 -3.697 -0.182 15.579 1.00 0.00 C ATOM 1883 O ASP A 115 -4.736 -0.546 15.032 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.755 2.267 16.178 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.259 2.174 16.185 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.789 1.231 16.801 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -5.900 3.045 15.569 1.00 0.00 O ATOM 0 H ASP A 115 -4.057 2.086 13.661 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.042 1.165 15.564 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.385 2.175 17.199 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.458 3.252 15.819 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.992 -0.957 16.389 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.382 -2.328 16.705 1.00 0.00 C ATOM 1894 C LEU A 116 -4.636 -2.454 17.579 1.00 0.00 C ATOM 1895 O LEU A 116 -4.906 -3.535 18.103 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.210 -3.029 17.381 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.860 -2.831 16.678 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.237 -2.519 17.687 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.502 -4.058 15.850 1.00 0.00 C ATOM 0 H LEU A 116 -2.132 -0.655 16.848 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.642 -2.800 15.757 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.128 -2.667 18.406 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.424 -4.096 17.436 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.949 -1.979 16.004 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.184 -2.383 17.165 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.014 -1.606 18.227 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.328 -3.345 18.393 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.458 -3.898 15.359 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.436 -4.930 16.501 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.271 -4.225 15.096 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.415 -1.385 17.734 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.632 -1.473 18.541 1.00 0.00 C ATOM 1913 C HIS A 117 -7.856 -1.067 17.724 1.00 0.00 C ATOM 1914 O HIS A 117 -8.713 -1.896 17.416 1.00 0.00 O ATOM 1915 CB HIS A 117 -6.508 -0.585 19.783 1.00 0.00 C ATOM 1916 CG HIS A 117 -7.770 -0.491 20.588 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -8.959 0.090 20.303 1.00 0.00 N flip ATOM 1918 CD2 HIS A 117 -7.904 -1.036 21.847 1.00 0.00 C flip ATOM 1919 CE1 HIS A 117 -9.781 -0.113 21.385 1.00 0.00 C flip ATOM 1920 NE2 HIS A 117 -9.120 -0.796 22.302 1.00 0.00 N flip ATOM 0 H HIS A 117 -5.233 -0.469 17.323 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.759 -2.509 18.857 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.711 -0.973 20.418 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.210 0.417 19.474 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -7.134 -1.575 22.379 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -10.801 0.230 21.472 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -9.487 -1.088 23.208 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.918 0.205 17.353 1.00 0.00 N ATOM 1930 CA ARG A 118 -9.021 0.716 16.544 1.00 0.00 C ATOM 1931 C ARG A 118 -8.709 0.587 15.054 1.00 0.00 C ATOM 1932 O ARG A 118 -9.592 0.741 14.210 1.00 0.00 O ATOM 1933 CB ARG A 118 -9.346 2.171 16.895 1.00 0.00 C ATOM 1934 CG ARG A 118 -8.134 3.076 17.023 1.00 0.00 C ATOM 1935 CD ARG A 118 -8.482 4.377 17.729 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.786 5.519 17.142 1.00 0.00 N ATOM 1937 CZ ARG A 118 -8.194 6.781 17.263 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -9.291 7.070 17.952 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -7.502 7.757 16.691 1.00 0.00 N ATOM 0 H ARG A 118 -7.217 0.904 17.599 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.899 0.110 16.770 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -10.007 2.577 16.129 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.898 2.190 17.835 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.350 2.559 17.576 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.735 3.294 16.032 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.558 4.542 17.676 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.223 4.298 18.785 1.00 0.00 H new ATOM 0 HE ARG A 118 -6.936 5.339 16.607 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.828 6.323 18.393 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -9.597 8.039 18.040 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.659 7.541 16.159 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.813 8.724 16.783 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.446 0.304 14.738 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.011 0.153 13.354 1.00 0.00 C ATOM 1955 C LEU A 119 -7.120 1.460 12.587 1.00 0.00 C ATOM 1956 O LEU A 119 -7.370 1.482 11.378 1.00 0.00 O ATOM 1957 CB LEU A 119 -7.808 -0.939 12.660 1.00 0.00 C ATOM 1958 CG LEU A 119 -7.136 -2.315 12.623 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -7.699 -3.151 11.487 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -5.626 -2.189 12.474 1.00 0.00 C ATOM 0 H LEU A 119 -6.705 0.175 15.427 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.960 -0.135 13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.772 -1.037 13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.010 -0.624 11.636 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.346 -2.811 13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.210 -4.125 11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.771 -3.284 11.630 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.520 -2.644 10.539 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.178 -3.183 12.451 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.394 -1.665 11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.223 -1.629 13.318 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.899 2.541 13.305 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.923 3.875 12.729 1.00 0.00 C ATOM 1974 C ASP A 120 -5.517 4.458 12.781 1.00 0.00 C ATOM 1975 O ASP A 120 -4.756 4.161 13.703 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.902 4.774 13.488 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.152 5.075 12.686 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.065 5.871 11.727 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -10.218 4.515 13.016 1.00 0.00 O ATOM 0 H ASP A 120 -6.697 2.523 14.305 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.258 3.817 11.694 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.182 4.292 14.425 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.406 5.709 13.747 1.00 0.00 H new ATOM 1984 N GLY A 121 -5.160 5.269 11.795 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.830 5.842 11.786 1.00 0.00 C ATOM 1986 C GLY A 121 -3.610 6.842 10.674 1.00 0.00 C ATOM 1987 O GLY A 121 -4.410 7.757 10.480 1.00 0.00 O ATOM 0 H GLY A 121 -5.757 5.537 11.013 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.647 6.330 12.743 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.098 5.040 11.692 1.00 0.00 H new ATOM 1991 N MET A 122 -2.511 6.670 9.949 1.00 0.00 N ATOM 1992 CA MET A 122 -2.170 7.570 8.857 1.00 0.00 C ATOM 1993 C MET A 122 -1.329 6.857 7.804 1.00 0.00 C ATOM 1994 O MET A 122 -0.404 6.112 8.130 1.00 0.00 O ATOM 1995 CB MET A 122 -1.415 8.786 9.402 1.00 0.00 C ATOM 1996 CG MET A 122 -0.819 9.681 8.325 1.00 0.00 C ATOM 1997 SD MET A 122 -1.380 11.391 8.446 1.00 0.00 S ATOM 1998 CE MET A 122 -1.223 11.676 10.208 1.00 0.00 C ATOM 0 H MET A 122 -1.842 5.915 10.099 1.00 0.00 H new ATOM 0 HA MET A 122 -3.094 7.903 8.384 1.00 0.00 H new ATOM 0 HB2 MET A 122 -2.095 9.377 10.016 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.614 8.440 10.056 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.268 9.654 8.398 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.083 9.286 7.344 1.00 0.00 H new ATOM 0 HE1 MET A 122 -0.953 12.717 10.386 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.172 11.458 10.698 1.00 0.00 H new ATOM 0 HE3 MET A 122 -0.448 11.026 10.614 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.656 7.096 6.541 1.00 0.00 N ATOM 2009 CA GLY A 123 -0.924 6.479 5.453 1.00 0.00 C ATOM 2010 C GLY A 123 -0.366 7.503 4.488 1.00 0.00 C ATOM 2011 O GLY A 123 -0.291 8.689 4.808 1.00 0.00 O ATOM 0 H GLY A 123 -2.418 7.708 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.108 5.882 5.859 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.582 5.796 4.916 1.00 0.00 H new ATOM 2015 N CYS A 124 0.022 7.047 3.303 1.00 0.00 N ATOM 2016 CA CYS A 124 0.576 7.934 2.288 1.00 0.00 C ATOM 2017 C CYS A 124 0.922 7.162 1.021 1.00 0.00 C ATOM 2018 O CYS A 124 1.309 5.996 1.079 1.00 0.00 O ATOM 2019 CB CYS A 124 1.825 8.645 2.820 1.00 0.00 C ATOM 2020 SG CYS A 124 3.266 7.573 3.027 1.00 0.00 S ATOM 0 H CYS A 124 -0.037 6.068 3.022 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.181 8.679 2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.085 9.455 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.586 9.102 3.781 1.00 0.00 H new ATOM 0 HG CYS A 124 3.063 6.448 2.407 1.00 0.00 H new ATOM 2026 N LEU A 125 0.793 7.825 -0.123 1.00 0.00 N ATOM 2027 CA LEU A 125 1.110 7.197 -1.400 1.00 0.00 C ATOM 2028 C LEU A 125 2.500 7.623 -1.865 1.00 0.00 C ATOM 2029 O LEU A 125 2.980 8.697 -1.505 1.00 0.00 O ATOM 2030 CB LEU A 125 0.059 7.555 -2.457 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.190 6.671 -2.462 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.245 7.238 -3.403 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.833 5.247 -2.858 1.00 0.00 C ATOM 0 H LEU A 125 0.473 8.791 -0.192 1.00 0.00 H new ATOM 0 HA LEU A 125 1.101 6.116 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.249 8.589 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.525 7.503 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.603 6.655 -1.453 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.125 6.595 -3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.523 8.240 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.842 7.285 -4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.733 4.632 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.395 5.246 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.115 4.841 -2.146 1.00 0.00 H new ATOM 2045 N GLU A 126 3.147 6.778 -2.658 1.00 0.00 N ATOM 2046 CA GLU A 126 4.484 7.075 -3.161 1.00 0.00 C ATOM 2047 C GLU A 126 4.702 6.420 -4.517 1.00 0.00 C ATOM 2048 O GLU A 126 4.664 5.198 -4.638 1.00 0.00 O ATOM 2049 CB GLU A 126 5.546 6.596 -2.167 1.00 0.00 C ATOM 2050 CG GLU A 126 6.252 7.730 -1.440 1.00 0.00 C ATOM 2051 CD GLU A 126 7.761 7.594 -1.470 1.00 0.00 C ATOM 2052 OE1 GLU A 126 8.301 7.197 -2.524 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.405 7.885 -0.441 1.00 0.00 O ATOM 0 H GLU A 126 2.769 5.882 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 126 4.575 8.155 -3.278 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.076 5.941 -1.433 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.287 5.999 -2.699 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.968 8.680 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.914 7.758 -0.404 1.00 0.00 H new ATOM 2060 N PHE A 127 4.936 7.235 -5.536 1.00 0.00 N ATOM 2061 CA PHE A 127 5.159 6.728 -6.877 1.00 0.00 C ATOM 2062 C PHE A 127 6.564 6.137 -6.989 1.00 0.00 C ATOM 2063 O PHE A 127 7.544 6.765 -6.588 1.00 0.00 O ATOM 2064 CB PHE A 127 4.929 7.858 -7.890 1.00 0.00 C ATOM 2065 CG PHE A 127 5.798 7.793 -9.108 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.100 8.247 -9.059 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.309 7.288 -10.298 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.905 8.197 -10.180 1.00 0.00 C ATOM 2069 CE2 PHE A 127 6.106 7.234 -11.423 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.409 7.690 -11.363 1.00 0.00 C ATOM 0 H PHE A 127 4.976 8.251 -5.456 1.00 0.00 H new ATOM 0 HA PHE A 127 4.453 5.927 -7.096 1.00 0.00 H new ATOM 0 HB2 PHE A 127 3.885 7.840 -8.204 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.095 8.813 -7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.493 8.645 -8.135 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.291 6.931 -10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.923 8.555 -10.130 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.713 6.837 -12.347 1.00 0.00 H new ATOM 0 HZ PHE A 127 8.038 7.650 -12.240 1.00 0.00 H new ATOM 2080 N ASP A 128 6.650 4.917 -7.512 1.00 0.00 N ATOM 2081 CA ASP A 128 7.933 4.238 -7.647 1.00 0.00 C ATOM 2082 C ASP A 128 8.596 4.550 -8.986 1.00 0.00 C ATOM 2083 O ASP A 128 8.160 4.074 -10.034 1.00 0.00 O ATOM 2084 CB ASP A 128 7.754 2.725 -7.493 1.00 0.00 C ATOM 2085 CG ASP A 128 6.872 2.130 -8.572 1.00 0.00 C ATOM 2086 OD1 ASP A 128 7.405 1.770 -9.642 1.00 0.00 O ATOM 2087 OD2 ASP A 128 5.650 2.020 -8.345 1.00 0.00 O ATOM 0 H ASP A 128 5.850 4.381 -7.848 1.00 0.00 H new ATOM 0 HA ASP A 128 8.585 4.606 -6.855 1.00 0.00 H new ATOM 0 HB2 ASP A 128 8.731 2.243 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.321 2.512 -6.516 1.00 0.00 H new ATOM 2092 N GLU A 129 9.655 5.353 -8.940 1.00 0.00 N ATOM 2093 CA GLU A 129 10.390 5.734 -10.141 1.00 0.00 C ATOM 2094 C GLU A 129 11.222 4.568 -10.672 1.00 0.00 C ATOM 2095 O GLU A 129 11.559 4.522 -11.856 1.00 0.00 O ATOM 2096 CB GLU A 129 11.309 6.924 -9.847 1.00 0.00 C ATOM 2097 CG GLU A 129 10.741 7.915 -8.842 1.00 0.00 C ATOM 2098 CD GLU A 129 11.552 7.981 -7.562 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.039 6.922 -7.114 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.698 9.091 -7.009 1.00 0.00 O ATOM 0 H GLU A 129 10.025 5.754 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 129 9.661 6.016 -10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.262 6.550 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 129 11.517 7.448 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.705 8.905 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.715 7.636 -8.603 1.00 0.00 H new