USER MOD reduce.3.24.130724 H: found=0, std=0, add=1091, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1090 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 GLN : amide:sc= -5.65! C(o=-5.7!,f=-7.3!) USER MOD Single : A 10 SER OG : rot 83:sc= 0.355 USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= -0.37 (180deg=-1.76!) USER MOD Single : A 14 ASN : amide:sc= -6.21! C(o=-6.2!,f=-8!) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00809) USER MOD Single : A 22 SER OG : rot -4:sc= -1.99! USER MOD Single : A 25 CYS SG : rot 13:sc= 0.00811 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc=-0.00171 (180deg=-0.304) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.109 USER MOD Single : A 30 THR OG1 : rot 66:sc= 0.413 USER MOD Single : A 37 HIS : no HD1:sc= -0.0977 X(o=-0.098,f=-0.1) USER MOD Single : A 41 GLN : amide:sc= -0.043 K(o=-0.043,f=-0.57) USER MOD Single : A 42 THR OG1 : rot 89:sc= 1.21 USER MOD Single : A 45 GLN : amide:sc= -0.362 K(o=-0.36,f=-1.2) USER MOD Single : A 46 ASN : amide:sc= -5.78! C(o=-5.8!,f=-18!) USER MOD Single : A 48 CYS SG : rot -43:sc= -4.81 USER MOD Single : A 53 SER OG : rot 67:sc= 0.724 USER MOD Single : A 60 THR OG1 : rot -140:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 63 ASN : amide:sc= -2.69 X(o=-2.7,f=-2.6!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.57) USER MOD Single : A 72 SER OG : rot -130:sc= -1.11 USER MOD Single : A 74 GLN : amide:sc= -0.748 K(o=-0.75,f=0) USER MOD Single : A 77 GLN : amide:sc= -3.43! C(o=-3.4!,f=-4.7!) USER MOD Single : A 79 GLN : amide:sc= -5.26! C(o=-5.3!,f=-2.8!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 82 SER OG : rot 180:sc= -0.0258 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 168:sc= -0.93 (180deg=-1.29) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.161) USER MOD Single : A 101 MET CE :methyl -121:sc= -0.328 (180deg=-1.4) USER MOD Single : A 104 ASN : amide:sc= -0.0878 X(o=-0.088,f=-0.15) USER MOD Single : A 107 CYS SG : rot -132:sc= -10.2! USER MOD Single : A 111 LYS NZ :NH3+ -166:sc=-0.00721 (180deg=-0.183) USER MOD Single : A 117 HIS : no HE2:sc= -5.33 K(o=-5.3,f=-7!) USER MOD Single : A 122 MET CE :methyl -160:sc= -0.0709 (180deg=-0.626) USER MOD Single : A 124 CYS SG : rot -133:sc= 0.0585 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 134 GLN : amide:sc= -0.931 K(o=-0.93,f=-0.17) USER MOD Single : A 140 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 141 GLN : amide:sc=-0.00804 K(o=-0.008,f=-0.98) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 -10.983 -24.076 9.372 1.00 0.00 N ATOM 2 CA VAL A 4 -10.981 -23.173 8.188 1.00 0.00 C ATOM 3 C VAL A 4 -11.298 -23.977 6.930 1.00 0.00 C ATOM 4 O VAL A 4 -11.062 -25.167 6.855 1.00 0.00 O ATOM 5 CB VAL A 4 -9.608 -22.509 8.022 1.00 0.00 C ATOM 6 CG1 VAL A 4 -9.713 -21.427 6.944 1.00 0.00 C ATOM 7 CG2 VAL A 4 -9.170 -21.866 9.341 1.00 0.00 C ATOM 0 HA VAL A 4 -11.736 -22.402 8.339 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.873 -23.261 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.743 -20.946 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.021 -21.881 6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.450 -20.683 7.246 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -8.194 -21.398 9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -9.898 -21.111 9.637 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.105 -22.631 10.115 1.00 0.00 H new ATOM 17 N VAL A 5 -11.823 -23.327 5.940 1.00 0.00 N ATOM 18 CA VAL A 5 -12.147 -24.039 4.681 1.00 0.00 C ATOM 19 C VAL A 5 -10.816 -24.496 4.042 1.00 0.00 C ATOM 20 O VAL A 5 -9.884 -23.720 3.936 1.00 0.00 O ATOM 21 CB VAL A 5 -12.924 -23.066 3.777 1.00 0.00 C ATOM 22 CG1 VAL A 5 -12.172 -21.712 3.656 1.00 0.00 C ATOM 23 CG2 VAL A 5 -13.140 -23.688 2.397 1.00 0.00 C ATOM 0 H VAL A 5 -12.043 -22.331 5.947 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.767 -24.920 4.844 1.00 0.00 H new ATOM 0 HB VAL A 5 -13.897 -22.874 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.738 -21.038 3.013 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.065 -21.266 4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -11.185 -21.881 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -13.691 -22.991 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -12.174 -23.905 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.709 -24.612 2.499 1.00 0.00 H new ATOM 33 N PRO A 6 -10.695 -25.752 3.649 1.00 0.00 N ATOM 34 CA PRO A 6 -9.426 -26.278 3.062 1.00 0.00 C ATOM 35 C PRO A 6 -9.190 -25.807 1.632 1.00 0.00 C ATOM 36 O PRO A 6 -8.172 -26.104 1.038 1.00 0.00 O ATOM 37 CB PRO A 6 -9.630 -27.797 3.100 1.00 0.00 C ATOM 38 CG PRO A 6 -11.097 -27.970 2.940 1.00 0.00 C ATOM 39 CD PRO A 6 -11.731 -26.809 3.706 1.00 0.00 C ATOM 0 HA PRO A 6 -8.552 -25.930 3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.081 -28.293 2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -9.279 -28.223 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.382 -27.949 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.425 -28.930 3.340 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.663 -26.484 3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.966 -27.086 4.734 1.00 0.00 H new ATOM 47 N ASP A 7 -10.115 -25.094 1.063 1.00 0.00 N ATOM 48 CA ASP A 7 -9.912 -24.639 -0.347 1.00 0.00 C ATOM 49 C ASP A 7 -8.887 -23.494 -0.381 1.00 0.00 C ATOM 50 O ASP A 7 -8.418 -23.102 -1.430 1.00 0.00 O ATOM 51 CB ASP A 7 -11.239 -24.159 -0.958 1.00 0.00 C ATOM 52 CG ASP A 7 -11.629 -22.795 -0.376 1.00 0.00 C ATOM 53 OD1 ASP A 7 -11.031 -22.400 0.609 1.00 0.00 O ATOM 54 OD2 ASP A 7 -12.505 -22.161 -0.940 1.00 0.00 O ATOM 0 H ASP A 7 -10.991 -24.807 1.499 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.541 -25.480 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -11.143 -24.086 -2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -12.025 -24.887 -0.756 1.00 0.00 H new ATOM 59 N GLN A 8 -8.522 -22.963 0.759 1.00 0.00 N ATOM 60 CA GLN A 8 -7.512 -21.860 0.777 1.00 0.00 C ATOM 61 C GLN A 8 -6.126 -22.477 0.851 1.00 0.00 C ATOM 62 O GLN A 8 -5.271 -22.239 0.024 1.00 0.00 O ATOM 63 CB GLN A 8 -7.712 -20.990 2.013 1.00 0.00 C ATOM 64 CG GLN A 8 -9.157 -20.524 2.078 1.00 0.00 C ATOM 65 CD GLN A 8 -9.291 -19.496 3.196 1.00 0.00 C ATOM 66 OE1 GLN A 8 -9.537 -19.845 4.333 1.00 0.00 O ATOM 67 NE2 GLN A 8 -9.124 -18.235 2.920 1.00 0.00 N ATOM 0 H GLN A 8 -8.877 -23.243 1.673 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.624 -21.253 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.460 -21.553 2.912 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.043 -20.130 1.977 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.456 -20.087 1.125 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.819 -21.370 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.917 -17.945 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.200 -17.537 3.660 1.00 0.00 H new ATOM 76 N ARG A 9 -5.909 -23.273 1.857 1.00 0.00 N ATOM 77 CA ARG A 9 -4.584 -23.921 2.040 1.00 0.00 C ATOM 78 C ARG A 9 -4.128 -24.586 0.724 1.00 0.00 C ATOM 79 O ARG A 9 -2.964 -24.562 0.385 1.00 0.00 O ATOM 80 CB ARG A 9 -4.694 -24.981 3.154 1.00 0.00 C ATOM 81 CG ARG A 9 -3.292 -25.498 3.533 1.00 0.00 C ATOM 82 CD ARG A 9 -2.611 -24.558 4.548 1.00 0.00 C ATOM 83 NE ARG A 9 -1.138 -24.696 4.418 1.00 0.00 N ATOM 84 CZ ARG A 9 -0.341 -23.774 4.877 1.00 0.00 C ATOM 85 NH1 ARG A 9 -0.803 -22.737 5.526 1.00 0.00 N ATOM 86 NH2 ARG A 9 0.938 -23.897 4.697 1.00 0.00 N ATOM 0 H ARG A 9 -6.602 -23.505 2.569 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.847 -23.168 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.180 -24.551 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.317 -25.810 2.818 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.372 -26.499 3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.676 -25.579 2.637 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.910 -23.526 4.366 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.925 -24.807 5.562 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.747 -25.522 3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.806 -22.638 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.160 -22.027 5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 9 1.308 -24.708 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.574 -23.182 5.051 1.00 0.00 H new ATOM 100 N SER A 10 -5.029 -25.182 -0.012 1.00 0.00 N ATOM 101 CA SER A 10 -4.637 -25.840 -1.296 1.00 0.00 C ATOM 102 C SER A 10 -4.045 -24.810 -2.271 1.00 0.00 C ATOM 103 O SER A 10 -2.954 -24.975 -2.761 1.00 0.00 O ATOM 104 CB SER A 10 -5.881 -26.481 -1.928 1.00 0.00 C ATOM 105 OG SER A 10 -6.404 -27.467 -1.043 1.00 0.00 O ATOM 0 H SER A 10 -6.020 -25.242 0.220 1.00 0.00 H new ATOM 0 HA SER A 10 -3.883 -26.600 -1.091 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.635 -25.719 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.624 -26.935 -2.885 1.00 0.00 H new ATOM 0 HG SER A 10 -6.972 -27.035 -0.371 1.00 0.00 H new ATOM 111 N LYS A 11 -4.736 -23.742 -2.562 1.00 0.00 N ATOM 112 CA LYS A 11 -4.142 -22.751 -3.505 1.00 0.00 C ATOM 113 C LYS A 11 -2.927 -22.090 -2.855 1.00 0.00 C ATOM 114 O LYS A 11 -1.881 -21.956 -3.448 1.00 0.00 O ATOM 115 CB LYS A 11 -5.200 -21.710 -3.909 1.00 0.00 C ATOM 116 CG LYS A 11 -5.927 -21.169 -2.668 1.00 0.00 C ATOM 117 CD LYS A 11 -6.914 -20.063 -3.083 1.00 0.00 C ATOM 118 CE LYS A 11 -8.090 -20.663 -3.876 1.00 0.00 C ATOM 119 NZ LYS A 11 -7.783 -20.602 -5.330 1.00 0.00 N ATOM 0 H LYS A 11 -5.662 -23.515 -2.199 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.810 -23.258 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.724 -20.889 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.920 -22.161 -4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.461 -21.977 -2.167 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.204 -20.775 -1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.289 -19.550 -2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.400 -19.317 -3.690 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.260 -21.696 -3.571 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.006 -20.113 -3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.455 -19.962 -5.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.815 -20.248 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.865 -21.553 -5.742 1.00 0.00 H new ATOM 133 N PHE A 12 -3.061 -21.678 -1.642 1.00 0.00 N ATOM 134 CA PHE A 12 -1.926 -21.029 -0.953 1.00 0.00 C ATOM 135 C PHE A 12 -0.727 -21.986 -0.782 1.00 0.00 C ATOM 136 O PHE A 12 0.409 -21.573 -0.872 1.00 0.00 O ATOM 137 CB PHE A 12 -2.403 -20.499 0.408 1.00 0.00 C ATOM 138 CG PHE A 12 -1.225 -19.984 1.203 1.00 0.00 C ATOM 139 CD1 PHE A 12 -0.399 -20.893 1.866 1.00 0.00 C ATOM 140 CD2 PHE A 12 -0.965 -18.611 1.289 1.00 0.00 C ATOM 141 CE1 PHE A 12 0.690 -20.438 2.614 1.00 0.00 C ATOM 142 CE2 PHE A 12 0.130 -18.160 2.041 1.00 0.00 C ATOM 143 CZ PHE A 12 0.956 -19.074 2.701 1.00 0.00 C ATOM 0 H PHE A 12 -3.914 -21.762 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.576 -20.200 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.131 -19.701 0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.906 -21.292 0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.602 -21.952 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.603 -17.904 0.780 1.00 0.00 H new ATOM 0 HE1 PHE A 12 1.326 -21.145 3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.336 -17.102 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.799 -18.723 3.277 1.00 0.00 H new ATOM 153 N GLU A 13 -0.938 -23.239 -0.476 1.00 0.00 N ATOM 154 CA GLU A 13 0.250 -24.133 -0.248 1.00 0.00 C ATOM 155 C GLU A 13 1.006 -24.462 -1.543 1.00 0.00 C ATOM 156 O GLU A 13 2.190 -24.760 -1.505 1.00 0.00 O ATOM 157 CB GLU A 13 -0.191 -25.435 0.427 1.00 0.00 C ATOM 158 CG GLU A 13 -0.908 -26.329 -0.582 1.00 0.00 C ATOM 159 CD GLU A 13 -1.645 -27.442 0.155 1.00 0.00 C ATOM 160 OE1 GLU A 13 -1.537 -27.487 1.365 1.00 0.00 O ATOM 161 OE2 GLU A 13 -2.302 -28.231 -0.506 1.00 0.00 O ATOM 0 H GLU A 13 -1.853 -23.679 -0.375 1.00 0.00 H new ATOM 0 HA GLU A 13 0.934 -23.584 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.676 -25.955 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.853 -25.214 1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.612 -25.740 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.189 -26.756 -1.281 1.00 0.00 H new ATOM 168 N ASN A 14 0.350 -24.459 -2.684 1.00 0.00 N ATOM 169 CA ASN A 14 1.069 -24.829 -3.949 1.00 0.00 C ATOM 170 C ASN A 14 1.617 -23.597 -4.679 1.00 0.00 C ATOM 171 O ASN A 14 2.550 -23.710 -5.448 1.00 0.00 O ATOM 172 CB ASN A 14 0.128 -25.605 -4.873 1.00 0.00 C ATOM 173 CG ASN A 14 -1.063 -24.743 -5.288 1.00 0.00 C ATOM 174 OD1 ASN A 14 -0.898 -23.684 -5.854 1.00 0.00 O ATOM 175 ND2 ASN A 14 -2.266 -25.165 -5.032 1.00 0.00 N ATOM 0 H ASN A 14 -0.636 -24.220 -2.793 1.00 0.00 H new ATOM 0 HA ASN A 14 1.918 -25.455 -3.675 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.671 -25.933 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.227 -26.503 -4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.072 -24.605 -5.308 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.403 -26.056 -4.556 1.00 0.00 H new ATOM 182 N GLU A 15 1.086 -22.420 -4.457 1.00 0.00 N ATOM 183 CA GLU A 15 1.658 -21.232 -5.160 1.00 0.00 C ATOM 184 C GLU A 15 2.867 -20.711 -4.381 1.00 0.00 C ATOM 185 O GLU A 15 2.756 -20.287 -3.248 1.00 0.00 O ATOM 186 CB GLU A 15 0.622 -20.115 -5.295 1.00 0.00 C ATOM 187 CG GLU A 15 -0.431 -20.504 -6.325 1.00 0.00 C ATOM 188 CD GLU A 15 -1.403 -19.340 -6.485 1.00 0.00 C ATOM 189 OE1 GLU A 15 -1.008 -18.330 -7.045 1.00 0.00 O ATOM 190 OE2 GLU A 15 -2.523 -19.473 -6.026 1.00 0.00 O ATOM 0 H GLU A 15 0.300 -22.233 -3.835 1.00 0.00 H new ATOM 0 HA GLU A 15 1.961 -21.542 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.148 -19.928 -4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.111 -19.188 -5.595 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.041 -20.738 -7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.962 -21.400 -6.004 1.00 0.00 H new ATOM 197 N GLU A 16 4.022 -20.734 -4.991 1.00 0.00 N ATOM 198 CA GLU A 16 5.259 -20.239 -4.313 1.00 0.00 C ATOM 199 C GLU A 16 5.363 -18.724 -4.499 1.00 0.00 C ATOM 200 O GLU A 16 6.309 -18.092 -4.081 1.00 0.00 O ATOM 201 CB GLU A 16 6.487 -20.865 -4.961 1.00 0.00 C ATOM 202 CG GLU A 16 6.424 -22.395 -4.893 1.00 0.00 C ATOM 203 CD GLU A 16 7.720 -22.978 -5.474 1.00 0.00 C ATOM 204 OE1 GLU A 16 8.510 -22.207 -5.999 1.00 0.00 O ATOM 205 OE2 GLU A 16 7.909 -24.181 -5.379 1.00 0.00 O ATOM 0 H GLU A 16 4.164 -21.078 -5.941 1.00 0.00 H new ATOM 0 HA GLU A 16 5.210 -20.501 -3.256 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.556 -20.546 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.388 -20.512 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.295 -22.720 -3.861 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.563 -22.761 -5.453 1.00 0.00 H new ATOM 212 N PHE A 17 4.405 -18.152 -5.158 1.00 0.00 N ATOM 213 CA PHE A 17 4.428 -16.690 -5.420 1.00 0.00 C ATOM 214 C PHE A 17 4.522 -15.901 -4.107 1.00 0.00 C ATOM 215 O PHE A 17 4.894 -14.749 -4.111 1.00 0.00 O ATOM 216 CB PHE A 17 3.138 -16.329 -6.200 1.00 0.00 C ATOM 217 CG PHE A 17 2.645 -14.932 -5.846 1.00 0.00 C ATOM 218 CD1 PHE A 17 3.440 -13.812 -6.109 1.00 0.00 C ATOM 219 CD2 PHE A 17 1.390 -14.771 -5.247 1.00 0.00 C ATOM 220 CE1 PHE A 17 2.976 -12.531 -5.770 1.00 0.00 C ATOM 221 CE2 PHE A 17 0.932 -13.498 -4.909 1.00 0.00 C ATOM 222 CZ PHE A 17 1.721 -12.379 -5.167 1.00 0.00 C ATOM 0 H PHE A 17 3.592 -18.641 -5.534 1.00 0.00 H new ATOM 0 HA PHE A 17 5.306 -16.425 -6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.331 -16.387 -7.271 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.360 -17.058 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.408 -13.932 -6.572 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.775 -15.635 -5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.586 -11.664 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.037 -13.379 -4.446 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.365 -11.394 -4.902 1.00 0.00 H new ATOM 232 N PHE A 18 4.164 -16.469 -2.996 1.00 0.00 N ATOM 233 CA PHE A 18 4.225 -15.676 -1.735 1.00 0.00 C ATOM 234 C PHE A 18 5.676 -15.438 -1.297 1.00 0.00 C ATOM 235 O PHE A 18 6.122 -14.316 -1.182 1.00 0.00 O ATOM 236 CB PHE A 18 3.479 -16.440 -0.649 1.00 0.00 C ATOM 237 CG PHE A 18 2.159 -16.903 -1.207 1.00 0.00 C ATOM 238 CD1 PHE A 18 1.135 -15.975 -1.458 1.00 0.00 C ATOM 239 CD2 PHE A 18 1.954 -18.258 -1.465 1.00 0.00 C ATOM 240 CE1 PHE A 18 -0.096 -16.416 -1.966 1.00 0.00 C ATOM 241 CE2 PHE A 18 0.732 -18.691 -1.963 1.00 0.00 C ATOM 242 CZ PHE A 18 -0.294 -17.777 -2.213 1.00 0.00 C ATOM 0 H PHE A 18 3.837 -17.430 -2.901 1.00 0.00 H new ATOM 0 HA PHE A 18 3.765 -14.702 -1.904 1.00 0.00 H new ATOM 0 HB2 PHE A 18 4.068 -17.294 -0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.319 -15.802 0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.295 -14.925 -1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.744 -18.970 -1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.886 -15.707 -2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.574 -19.741 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.242 -18.123 -2.598 1.00 0.00 H new ATOM 252 N ARG A 19 6.419 -16.463 -1.048 1.00 0.00 N ATOM 253 CA ARG A 19 7.827 -16.247 -0.628 1.00 0.00 C ATOM 254 C ARG A 19 8.582 -15.488 -1.726 1.00 0.00 C ATOM 255 O ARG A 19 9.390 -14.629 -1.439 1.00 0.00 O ATOM 256 CB ARG A 19 8.533 -17.590 -0.316 1.00 0.00 C ATOM 257 CG ARG A 19 7.941 -18.734 -1.167 1.00 0.00 C ATOM 258 CD ARG A 19 6.817 -19.456 -0.401 1.00 0.00 C ATOM 259 NE ARG A 19 6.425 -20.689 -1.137 1.00 0.00 N ATOM 260 CZ ARG A 19 5.651 -21.560 -0.548 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.259 -21.344 0.676 1.00 0.00 N ATOM 262 NH2 ARG A 19 5.282 -22.646 -1.164 1.00 0.00 N ATOM 0 H ARG A 19 6.122 -17.437 -1.114 1.00 0.00 H new ATOM 0 HA ARG A 19 7.827 -15.654 0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.601 -17.499 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 19 8.424 -17.825 0.743 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.551 -18.334 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.726 -19.445 -1.427 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.154 -19.711 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.956 -18.797 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 19 6.756 -20.851 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.557 -20.500 1.166 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.654 -22.019 1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.598 -22.824 -2.117 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.677 -23.319 -0.693 1.00 0.00 H new ATOM 276 N LYS A 20 8.350 -15.803 -2.983 1.00 0.00 N ATOM 277 CA LYS A 20 9.105 -15.087 -4.053 1.00 0.00 C ATOM 278 C LYS A 20 8.837 -13.586 -4.030 1.00 0.00 C ATOM 279 O LYS A 20 9.746 -12.809 -4.212 1.00 0.00 O ATOM 280 CB LYS A 20 8.737 -15.636 -5.436 1.00 0.00 C ATOM 281 CG LYS A 20 9.095 -17.113 -5.500 1.00 0.00 C ATOM 282 CD LYS A 20 8.857 -17.638 -6.918 1.00 0.00 C ATOM 283 CE LYS A 20 9.100 -19.154 -6.952 1.00 0.00 C ATOM 284 NZ LYS A 20 10.562 -19.427 -6.928 1.00 0.00 N ATOM 0 H LYS A 20 7.686 -16.508 -3.304 1.00 0.00 H new ATOM 0 HA LYS A 20 10.164 -15.255 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.672 -15.499 -5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.270 -15.087 -6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.138 -17.257 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.492 -17.675 -4.787 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.837 -17.416 -7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.524 -17.137 -7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.617 -19.629 -6.098 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.655 -19.584 -7.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.725 -20.451 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 11.018 -18.945 -7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.966 -19.076 -6.036 1.00 0.00 H new ATOM 298 N LEU A 21 7.612 -13.167 -3.834 1.00 0.00 N ATOM 299 CA LEU A 21 7.308 -11.690 -3.838 1.00 0.00 C ATOM 300 C LEU A 21 6.749 -11.226 -2.480 1.00 0.00 C ATOM 301 O LEU A 21 6.991 -10.111 -2.055 1.00 0.00 O ATOM 302 CB LEU A 21 6.272 -11.403 -4.942 1.00 0.00 C ATOM 303 CG LEU A 21 6.956 -11.131 -6.293 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.685 -9.771 -6.256 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.949 -12.256 -6.635 1.00 0.00 C ATOM 0 H LEU A 21 6.809 -13.774 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 21 8.233 -11.144 -4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.596 -12.252 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.665 -10.543 -4.659 1.00 0.00 H new ATOM 0 HG LEU A 21 6.190 -11.101 -7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.165 -9.589 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.965 -8.978 -6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.440 -9.784 -5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.422 -12.045 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.712 -12.316 -5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.417 -13.205 -6.694 1.00 0.00 H new ATOM 317 N SER A 22 5.992 -12.048 -1.803 1.00 0.00 N ATOM 318 CA SER A 22 5.421 -11.619 -0.488 1.00 0.00 C ATOM 319 C SER A 22 6.472 -11.793 0.610 1.00 0.00 C ATOM 320 O SER A 22 6.378 -12.661 1.456 1.00 0.00 O ATOM 321 CB SER A 22 4.163 -12.431 -0.160 1.00 0.00 C ATOM 322 OG SER A 22 4.539 -13.684 0.388 1.00 0.00 O ATOM 0 H SER A 22 5.744 -12.992 -2.099 1.00 0.00 H new ATOM 0 HA SER A 22 5.141 -10.567 -0.548 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.539 -11.885 0.548 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.568 -12.580 -1.061 1.00 0.00 H new ATOM 0 HG SER A 22 5.515 -13.768 0.372 1.00 0.00 H new ATOM 328 N ARG A 23 7.479 -10.967 0.582 1.00 0.00 N ATOM 329 CA ARG A 23 8.571 -11.040 1.593 1.00 0.00 C ATOM 330 C ARG A 23 9.130 -9.617 1.787 1.00 0.00 C ATOM 331 O ARG A 23 8.725 -8.702 1.092 1.00 0.00 O ATOM 332 CB ARG A 23 9.668 -11.980 1.065 1.00 0.00 C ATOM 333 CG ARG A 23 10.484 -12.530 2.225 1.00 0.00 C ATOM 334 CD ARG A 23 11.515 -13.523 1.687 1.00 0.00 C ATOM 335 NE ARG A 23 12.316 -14.052 2.824 1.00 0.00 N ATOM 336 CZ ARG A 23 13.069 -15.107 2.663 1.00 0.00 C ATOM 337 NH1 ARG A 23 13.052 -15.750 1.526 1.00 0.00 N ATOM 338 NH2 ARG A 23 13.826 -15.527 3.639 1.00 0.00 N ATOM 0 H ARG A 23 7.594 -10.229 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 23 8.206 -11.424 2.546 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.218 -12.800 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.318 -11.442 0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.984 -11.717 2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.830 -13.021 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.015 -14.340 1.166 1.00 0.00 H new ATOM 0 HD3 ARG A 23 12.166 -13.034 0.963 1.00 0.00 H new ATOM 0 HE ARG A 23 12.277 -13.589 3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.452 -15.428 0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.639 -16.574 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.831 -15.031 4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.413 -16.351 3.511 1.00 0.00 H new ATOM 352 N GLU A 24 10.042 -9.410 2.715 1.00 0.00 N ATOM 353 CA GLU A 24 10.609 -8.035 2.903 1.00 0.00 C ATOM 354 C GLU A 24 11.287 -7.605 1.598 1.00 0.00 C ATOM 355 O GLU A 24 12.243 -8.214 1.146 1.00 0.00 O ATOM 356 CB GLU A 24 11.619 -8.049 4.061 1.00 0.00 C ATOM 357 CG GLU A 24 12.870 -8.863 3.678 1.00 0.00 C ATOM 358 CD GLU A 24 13.537 -9.404 4.946 1.00 0.00 C ATOM 359 OE1 GLU A 24 12.963 -10.290 5.557 1.00 0.00 O ATOM 360 OE2 GLU A 24 14.605 -8.922 5.287 1.00 0.00 O ATOM 0 H GLU A 24 10.412 -10.125 3.341 1.00 0.00 H new ATOM 0 HA GLU A 24 9.818 -7.327 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.906 -7.028 4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.156 -8.479 4.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.593 -9.687 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.570 -8.236 3.126 1.00 0.00 H new ATOM 367 N CYS A 25 10.783 -6.568 0.978 1.00 0.00 N ATOM 368 CA CYS A 25 11.375 -6.086 -0.312 1.00 0.00 C ATOM 369 C CYS A 25 11.562 -4.566 -0.268 1.00 0.00 C ATOM 370 O CYS A 25 10.804 -3.847 0.352 1.00 0.00 O ATOM 371 CB CYS A 25 10.443 -6.460 -1.473 1.00 0.00 C ATOM 372 SG CYS A 25 10.629 -8.216 -1.866 1.00 0.00 S ATOM 0 H CYS A 25 9.982 -6.030 1.310 1.00 0.00 H new ATOM 0 HA CYS A 25 12.347 -6.557 -0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 25 9.409 -6.245 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 25 10.677 -5.855 -2.349 1.00 0.00 H new ATOM 0 HG CYS A 25 11.297 -8.804 -0.919 1.00 0.00 H new ATOM 378 N GLU A 26 12.556 -4.076 -0.957 1.00 0.00 N ATOM 379 CA GLU A 26 12.794 -2.608 -1.002 1.00 0.00 C ATOM 380 C GLU A 26 11.620 -1.956 -1.738 1.00 0.00 C ATOM 381 O GLU A 26 11.082 -2.529 -2.663 1.00 0.00 O ATOM 382 CB GLU A 26 14.097 -2.341 -1.761 1.00 0.00 C ATOM 383 CG GLU A 26 15.275 -2.998 -1.021 1.00 0.00 C ATOM 384 CD GLU A 26 15.348 -4.490 -1.379 1.00 0.00 C ATOM 385 OE1 GLU A 26 15.180 -4.807 -2.544 1.00 0.00 O ATOM 386 OE2 GLU A 26 15.579 -5.287 -0.481 1.00 0.00 O ATOM 0 H GLU A 26 13.218 -4.636 -1.495 1.00 0.00 H new ATOM 0 HA GLU A 26 12.875 -2.197 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 26 14.026 -2.737 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.264 -1.267 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 26 16.208 -2.504 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.152 -2.879 0.055 1.00 0.00 H new ATOM 393 N ILE A 27 11.204 -0.770 -1.338 1.00 0.00 N ATOM 394 CA ILE A 27 10.051 -0.110 -2.032 1.00 0.00 C ATOM 395 C ILE A 27 10.323 1.368 -2.259 1.00 0.00 C ATOM 396 O ILE A 27 11.050 2.019 -1.513 1.00 0.00 O ATOM 397 CB ILE A 27 8.774 -0.268 -1.191 1.00 0.00 C ATOM 398 CG1 ILE A 27 8.822 0.576 0.101 1.00 0.00 C ATOM 399 CG2 ILE A 27 8.626 -1.721 -0.804 1.00 0.00 C ATOM 400 CD1 ILE A 27 7.473 0.488 0.843 1.00 0.00 C ATOM 0 H ILE A 27 11.611 -0.238 -0.568 1.00 0.00 H new ATOM 0 HA ILE A 27 9.919 -0.593 -3.000 1.00 0.00 H new ATOM 0 HB ILE A 27 7.932 0.076 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.625 0.221 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.045 1.615 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.723 -1.848 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.554 -2.332 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.493 -2.033 -0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.518 1.087 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.678 0.865 0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.267 -0.551 1.102 1.00 0.00 H new ATOM 412 N LYS A 28 9.693 1.908 -3.272 1.00 0.00 N ATOM 413 CA LYS A 28 9.836 3.351 -3.579 1.00 0.00 C ATOM 414 C LYS A 28 8.510 3.864 -4.148 1.00 0.00 C ATOM 415 O LYS A 28 7.903 3.251 -5.013 1.00 0.00 O ATOM 416 CB LYS A 28 10.966 3.564 -4.591 1.00 0.00 C ATOM 417 CG LYS A 28 10.671 2.792 -5.875 1.00 0.00 C ATOM 418 CD LYS A 28 11.867 2.937 -6.827 1.00 0.00 C ATOM 419 CE LYS A 28 11.582 2.197 -8.137 1.00 0.00 C ATOM 420 NZ LYS A 28 10.512 2.914 -8.880 1.00 0.00 N ATOM 0 H LYS A 28 9.078 1.396 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 28 10.083 3.901 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.072 4.626 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.913 3.231 -4.166 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.493 1.740 -5.650 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.766 3.175 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.057 3.991 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.766 2.535 -6.360 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.487 2.142 -8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.274 1.172 -7.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.521 2.616 -9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.587 2.689 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.678 3.939 -8.824 1.00 0.00 H new ATOM 434 N TYR A 29 8.060 4.985 -3.660 1.00 0.00 N ATOM 435 CA TYR A 29 6.784 5.564 -4.145 1.00 0.00 C ATOM 436 C TYR A 29 6.963 6.017 -5.603 1.00 0.00 C ATOM 437 O TYR A 29 8.048 6.391 -6.017 1.00 0.00 O ATOM 438 CB TYR A 29 6.418 6.747 -3.241 1.00 0.00 C ATOM 439 CG TYR A 29 5.007 7.181 -3.538 1.00 0.00 C ATOM 440 CD1 TYR A 29 4.748 7.947 -4.676 1.00 0.00 C ATOM 441 CD2 TYR A 29 3.957 6.811 -2.679 1.00 0.00 C ATOM 442 CE1 TYR A 29 3.439 8.348 -4.960 1.00 0.00 C ATOM 443 CE2 TYR A 29 2.650 7.212 -2.968 1.00 0.00 C ATOM 444 CZ TYR A 29 2.391 7.981 -4.109 1.00 0.00 C ATOM 445 OH TYR A 29 1.101 8.378 -4.396 1.00 0.00 O ATOM 0 H TYR A 29 8.530 5.529 -2.937 1.00 0.00 H new ATOM 0 HA TYR A 29 5.980 4.828 -4.110 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.510 6.461 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 29 7.108 7.574 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.556 8.229 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.160 6.219 -1.799 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.236 8.943 -5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.840 6.929 -2.312 1.00 0.00 H new ATOM 0 HH TYR A 29 0.993 8.462 -5.366 1.00 0.00 H new ATOM 455 N THR A 30 5.915 5.974 -6.392 1.00 0.00 N ATOM 456 CA THR A 30 6.026 6.393 -7.831 1.00 0.00 C ATOM 457 C THR A 30 5.799 7.900 -7.933 1.00 0.00 C ATOM 458 O THR A 30 4.776 8.406 -7.526 1.00 0.00 O ATOM 459 CB THR A 30 4.965 5.669 -8.659 1.00 0.00 C ATOM 460 OG1 THR A 30 5.070 4.266 -8.450 1.00 0.00 O ATOM 461 CG2 THR A 30 5.164 5.981 -10.144 1.00 0.00 C ATOM 0 H THR A 30 4.986 5.667 -6.104 1.00 0.00 H new ATOM 0 HA THR A 30 7.017 6.140 -8.208 1.00 0.00 H new ATOM 0 HB THR A 30 3.977 6.009 -8.349 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.849 4.057 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.405 5.462 -10.730 1.00 0.00 H new ATOM 0 HG22 THR A 30 5.075 7.055 -10.305 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.154 5.648 -10.456 1.00 0.00 H new ATOM 469 N GLY A 31 6.743 8.632 -8.470 1.00 0.00 N ATOM 470 CA GLY A 31 6.553 10.107 -8.563 1.00 0.00 C ATOM 471 C GLY A 31 7.643 10.747 -9.424 1.00 0.00 C ATOM 472 O GLY A 31 8.554 10.089 -9.882 1.00 0.00 O ATOM 0 H GLY A 31 7.624 8.277 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.574 10.325 -8.989 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.571 10.543 -7.564 1.00 0.00 H new ATOM 476 N PHE A 32 7.546 12.039 -9.639 1.00 0.00 N ATOM 477 CA PHE A 32 8.563 12.748 -10.472 1.00 0.00 C ATOM 478 C PHE A 32 9.818 13.043 -9.643 1.00 0.00 C ATOM 479 O PHE A 32 9.999 14.127 -9.125 1.00 0.00 O ATOM 480 CB PHE A 32 7.960 14.055 -10.984 1.00 0.00 C ATOM 481 CG PHE A 32 6.577 13.776 -11.511 1.00 0.00 C ATOM 482 CD1 PHE A 32 6.419 12.963 -12.639 1.00 0.00 C ATOM 483 CD2 PHE A 32 5.454 14.324 -10.880 1.00 0.00 C ATOM 484 CE1 PHE A 32 5.138 12.698 -13.138 1.00 0.00 C ATOM 485 CE2 PHE A 32 4.175 14.059 -11.383 1.00 0.00 C ATOM 486 CZ PHE A 32 4.019 13.248 -12.507 1.00 0.00 C ATOM 0 H PHE A 32 6.802 12.632 -9.271 1.00 0.00 H new ATOM 0 HA PHE A 32 8.846 12.116 -11.314 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.917 14.791 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.586 14.477 -11.770 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.286 12.540 -13.125 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.574 14.949 -10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.015 12.070 -14.008 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.307 14.483 -10.900 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.030 13.044 -12.891 1.00 0.00 H new ATOM 496 N ARG A 33 10.684 12.079 -9.525 1.00 0.00 N ATOM 497 CA ARG A 33 11.942 12.268 -8.736 1.00 0.00 C ATOM 498 C ARG A 33 12.799 13.405 -9.313 1.00 0.00 C ATOM 499 O ARG A 33 13.732 13.859 -8.683 1.00 0.00 O ATOM 500 CB ARG A 33 12.743 10.963 -8.726 1.00 0.00 C ATOM 501 CG ARG A 33 11.943 9.903 -7.971 1.00 0.00 C ATOM 502 CD ARG A 33 12.801 8.660 -7.753 1.00 0.00 C ATOM 503 NE ARG A 33 13.219 8.070 -9.067 1.00 0.00 N ATOM 504 CZ ARG A 33 12.345 7.615 -9.930 1.00 0.00 C ATOM 505 NH1 ARG A 33 11.070 7.580 -9.633 1.00 0.00 N ATOM 506 NH2 ARG A 33 12.756 7.152 -11.080 1.00 0.00 N ATOM 0 H ARG A 33 10.577 11.155 -9.945 1.00 0.00 H new ATOM 0 HA ARG A 33 11.668 12.539 -7.716 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.940 10.633 -9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.711 11.117 -8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.612 10.300 -7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.047 9.642 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.683 8.919 -7.167 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.242 7.922 -7.178 1.00 0.00 H new ATOM 0 HE ARG A 33 14.212 8.022 -9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.749 7.909 -8.722 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.398 7.224 -10.312 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.752 7.146 -11.301 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.081 6.796 -11.757 1.00 0.00 H new ATOM 520 N ASP A 34 12.522 13.855 -10.506 1.00 0.00 N ATOM 521 CA ASP A 34 13.362 14.947 -11.094 1.00 0.00 C ATOM 522 C ASP A 34 12.896 16.310 -10.568 1.00 0.00 C ATOM 523 O ASP A 34 13.456 17.340 -10.890 1.00 0.00 O ATOM 524 CB ASP A 34 13.241 14.917 -12.625 1.00 0.00 C ATOM 525 CG ASP A 34 11.818 15.301 -13.037 1.00 0.00 C ATOM 526 OD1 ASP A 34 11.458 16.453 -12.856 1.00 0.00 O ATOM 527 OD2 ASP A 34 11.109 14.434 -13.525 1.00 0.00 O ATOM 0 H ASP A 34 11.760 13.521 -11.097 1.00 0.00 H new ATOM 0 HA ASP A 34 14.402 14.792 -10.806 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.958 15.607 -13.070 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.482 13.922 -12.999 1.00 0.00 H new ATOM 532 N ARG A 35 11.898 16.337 -9.728 1.00 0.00 N ATOM 533 CA ARG A 35 11.450 17.645 -9.168 1.00 0.00 C ATOM 534 C ARG A 35 12.397 17.984 -8.003 1.00 0.00 C ATOM 535 O ARG A 35 12.779 17.095 -7.272 1.00 0.00 O ATOM 536 CB ARG A 35 9.997 17.527 -8.655 1.00 0.00 C ATOM 537 CG ARG A 35 8.999 18.007 -9.719 1.00 0.00 C ATOM 538 CD ARG A 35 9.250 17.293 -11.052 1.00 0.00 C ATOM 539 NE ARG A 35 7.983 17.264 -11.836 1.00 0.00 N ATOM 540 CZ ARG A 35 8.016 16.939 -13.097 1.00 0.00 C ATOM 541 NH1 ARG A 35 9.145 16.544 -13.639 1.00 0.00 N ATOM 542 NH2 ARG A 35 6.928 16.989 -13.817 1.00 0.00 N ATOM 0 H ARG A 35 11.378 15.520 -9.407 1.00 0.00 H new ATOM 0 HA ARG A 35 11.476 18.426 -9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.783 16.491 -8.391 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.879 18.118 -7.747 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.980 17.815 -9.383 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.092 19.085 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.028 17.809 -11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.605 16.278 -10.874 1.00 0.00 H new ATOM 0 HE ARG A 35 7.096 17.497 -11.389 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.992 16.493 -13.073 1.00 0.00 H new ATOM 0 HH12 ARG A 35 9.175 16.289 -14.626 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.049 17.283 -13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.958 16.734 -14.804 1.00 0.00 H new ATOM 556 N PRO A 36 12.783 19.237 -7.822 1.00 0.00 N ATOM 557 CA PRO A 36 13.704 19.634 -6.705 1.00 0.00 C ATOM 558 C PRO A 36 13.347 18.960 -5.373 1.00 0.00 C ATOM 559 O PRO A 36 12.457 18.141 -5.296 1.00 0.00 O ATOM 560 CB PRO A 36 13.506 21.148 -6.603 1.00 0.00 C ATOM 561 CG PRO A 36 13.138 21.589 -7.987 1.00 0.00 C ATOM 562 CD PRO A 36 12.397 20.410 -8.641 1.00 0.00 C ATOM 0 HA PRO A 36 14.732 19.333 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.721 21.395 -5.889 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.415 21.642 -6.261 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.504 22.475 -7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 36 14.028 21.853 -8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.318 20.564 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.692 20.283 -9.683 1.00 0.00 H new ATOM 570 N HIS A 37 14.012 19.318 -4.308 1.00 0.00 N ATOM 571 CA HIS A 37 13.684 18.696 -2.995 1.00 0.00 C ATOM 572 C HIS A 37 12.185 18.814 -2.761 1.00 0.00 C ATOM 573 O HIS A 37 11.607 18.099 -1.978 1.00 0.00 O ATOM 574 CB HIS A 37 14.448 19.427 -1.887 1.00 0.00 C ATOM 575 CG HIS A 37 15.919 19.314 -2.145 1.00 0.00 C ATOM 576 ND1 HIS A 37 16.591 18.104 -2.096 1.00 0.00 N ATOM 577 CD2 HIS A 37 16.862 20.258 -2.451 1.00 0.00 C ATOM 578 CE1 HIS A 37 17.888 18.349 -2.365 1.00 0.00 C ATOM 579 NE2 HIS A 37 18.105 19.651 -2.590 1.00 0.00 N ATOM 0 H HIS A 37 14.762 20.009 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 37 13.972 17.645 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 37 14.152 20.476 -1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 37 14.203 18.997 -0.916 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.669 21.314 -2.567 1.00 0.00 H new ATOM 0 HE1 HIS A 37 18.656 17.591 -2.395 1.00 0.00 H new ATOM 0 HE2 HIS A 37 18.992 20.101 -2.815 1.00 0.00 H new ATOM 587 N GLU A 38 11.544 19.703 -3.443 1.00 0.00 N ATOM 588 CA GLU A 38 10.083 19.840 -3.263 1.00 0.00 C ATOM 589 C GLU A 38 9.380 18.540 -3.648 1.00 0.00 C ATOM 590 O GLU A 38 8.210 18.377 -3.396 1.00 0.00 O ATOM 591 CB GLU A 38 9.568 20.982 -4.138 1.00 0.00 C ATOM 592 CG GLU A 38 9.622 20.584 -5.620 1.00 0.00 C ATOM 593 CD GLU A 38 9.331 21.814 -6.485 1.00 0.00 C ATOM 594 OE1 GLU A 38 10.155 22.711 -6.500 1.00 0.00 O ATOM 595 OE2 GLU A 38 8.282 21.835 -7.106 1.00 0.00 O ATOM 0 H GLU A 38 11.965 20.342 -4.118 1.00 0.00 H new ATOM 0 HA GLU A 38 9.872 20.057 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.544 21.230 -3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.169 21.876 -3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.604 20.178 -5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.893 19.800 -5.825 1.00 0.00 H new ATOM 602 N GLU A 39 10.060 17.629 -4.288 1.00 0.00 N ATOM 603 CA GLU A 39 9.382 16.382 -4.720 1.00 0.00 C ATOM 604 C GLU A 39 9.012 15.507 -3.520 1.00 0.00 C ATOM 605 O GLU A 39 8.014 14.812 -3.528 1.00 0.00 O ATOM 606 CB GLU A 39 10.346 15.601 -5.613 1.00 0.00 C ATOM 607 CG GLU A 39 11.515 15.069 -4.772 1.00 0.00 C ATOM 608 CD GLU A 39 12.654 14.638 -5.698 1.00 0.00 C ATOM 609 OE1 GLU A 39 12.430 14.605 -6.896 1.00 0.00 O ATOM 610 OE2 GLU A 39 13.730 14.352 -5.197 1.00 0.00 O ATOM 0 H GLU A 39 11.049 17.696 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 39 8.467 16.644 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.823 14.773 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.721 16.244 -6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.863 15.840 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.186 14.225 -4.165 1.00 0.00 H new ATOM 617 N ARG A 40 9.815 15.504 -2.496 1.00 0.00 N ATOM 618 CA ARG A 40 9.492 14.627 -1.323 1.00 0.00 C ATOM 619 C ARG A 40 8.263 15.138 -0.565 1.00 0.00 C ATOM 620 O ARG A 40 7.340 14.396 -0.302 1.00 0.00 O ATOM 621 CB ARG A 40 10.698 14.543 -0.368 1.00 0.00 C ATOM 622 CG ARG A 40 11.423 15.875 -0.352 1.00 0.00 C ATOM 623 CD ARG A 40 12.440 15.896 0.791 1.00 0.00 C ATOM 624 NE ARG A 40 13.100 17.230 0.852 1.00 0.00 N ATOM 625 CZ ARG A 40 13.784 17.577 1.914 1.00 0.00 C ATOM 626 NH1 ARG A 40 13.891 16.753 2.932 1.00 0.00 N ATOM 627 NH2 ARG A 40 14.356 18.749 1.947 1.00 0.00 N ATOM 0 H ARG A 40 10.668 16.057 -2.413 1.00 0.00 H new ATOM 0 HA ARG A 40 9.266 13.632 -1.706 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.363 14.287 0.637 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.375 13.752 -0.689 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.929 16.036 -1.304 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.707 16.688 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.943 15.682 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.187 15.117 0.640 1.00 0.00 H new ATOM 0 HE ARG A 40 13.019 17.874 0.065 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.440 15.839 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.425 17.028 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.268 19.382 1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.892 19.032 2.768 1.00 0.00 H new ATOM 641 N GLN A 41 8.243 16.388 -0.202 1.00 0.00 N ATOM 642 CA GLN A 41 7.075 16.918 0.553 1.00 0.00 C ATOM 643 C GLN A 41 5.877 17.099 -0.363 1.00 0.00 C ATOM 644 O GLN A 41 4.762 16.779 -0.011 1.00 0.00 O ATOM 645 CB GLN A 41 7.457 18.262 1.168 1.00 0.00 C ATOM 646 CG GLN A 41 7.645 19.304 0.060 1.00 0.00 C ATOM 647 CD GLN A 41 8.390 20.511 0.622 1.00 0.00 C ATOM 648 OE1 GLN A 41 9.395 20.358 1.285 1.00 0.00 O ATOM 649 NE2 GLN A 41 7.936 21.714 0.387 1.00 0.00 N ATOM 0 H GLN A 41 8.982 17.064 -0.394 1.00 0.00 H new ATOM 0 HA GLN A 41 6.803 16.208 1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.681 18.589 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.376 18.161 1.745 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.204 18.872 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.676 19.611 -0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.091 21.840 -0.170 1.00 0.00 H new ATOM 0 HE22 GLN A 41 8.427 22.526 0.761 1.00 0.00 H new ATOM 658 N THR A 42 6.093 17.623 -1.529 1.00 0.00 N ATOM 659 CA THR A 42 4.958 17.848 -2.453 1.00 0.00 C ATOM 660 C THR A 42 4.281 16.525 -2.776 1.00 0.00 C ATOM 661 O THR A 42 3.073 16.451 -2.895 1.00 0.00 O ATOM 662 CB THR A 42 5.460 18.497 -3.743 1.00 0.00 C ATOM 663 OG1 THR A 42 6.074 19.741 -3.425 1.00 0.00 O ATOM 664 CG2 THR A 42 4.277 18.727 -4.683 1.00 0.00 C ATOM 0 H THR A 42 7.007 17.906 -1.883 1.00 0.00 H new ATOM 0 HA THR A 42 4.237 18.511 -1.974 1.00 0.00 H new ATOM 0 HB THR A 42 6.186 17.848 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.026 19.598 -3.240 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.629 19.190 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.805 17.772 -4.914 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.552 19.383 -4.202 1.00 0.00 H new ATOM 672 N ARG A 43 5.038 15.483 -2.943 1.00 0.00 N ATOM 673 CA ARG A 43 4.414 14.177 -3.265 1.00 0.00 C ATOM 674 C ARG A 43 3.471 13.759 -2.142 1.00 0.00 C ATOM 675 O ARG A 43 2.391 13.267 -2.388 1.00 0.00 O ATOM 676 CB ARG A 43 5.497 13.114 -3.433 1.00 0.00 C ATOM 677 CG ARG A 43 4.876 11.824 -4.008 1.00 0.00 C ATOM 678 CD ARG A 43 4.560 11.974 -5.516 1.00 0.00 C ATOM 679 NE ARG A 43 3.089 11.926 -5.712 1.00 0.00 N ATOM 680 CZ ARG A 43 2.577 12.388 -6.816 1.00 0.00 C ATOM 681 NH1 ARG A 43 3.365 12.874 -7.738 1.00 0.00 N ATOM 682 NH2 ARG A 43 1.288 12.373 -6.995 1.00 0.00 N ATOM 0 H ARG A 43 6.055 15.478 -2.871 1.00 0.00 H new ATOM 0 HA ARG A 43 3.851 14.276 -4.193 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.279 13.480 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.967 12.905 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.562 10.990 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.962 11.585 -3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.959 12.916 -5.892 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.041 11.176 -6.082 1.00 0.00 H new ATOM 0 HE ARG A 43 2.486 11.535 -4.989 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.374 12.890 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.971 13.238 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.677 11.999 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.889 12.736 -7.861 1.00 0.00 H new ATOM 696 N PHE A 44 3.868 13.906 -0.907 1.00 0.00 N ATOM 697 CA PHE A 44 2.963 13.455 0.177 1.00 0.00 C ATOM 698 C PHE A 44 1.646 14.239 0.184 1.00 0.00 C ATOM 699 O PHE A 44 0.583 13.659 0.239 1.00 0.00 O ATOM 700 CB PHE A 44 3.665 13.621 1.527 1.00 0.00 C ATOM 701 CG PHE A 44 4.749 12.578 1.648 1.00 0.00 C ATOM 702 CD1 PHE A 44 4.413 11.220 1.636 1.00 0.00 C ATOM 703 CD2 PHE A 44 6.088 12.963 1.750 1.00 0.00 C ATOM 704 CE1 PHE A 44 5.412 10.254 1.727 1.00 0.00 C ATOM 705 CE2 PHE A 44 7.091 11.997 1.837 1.00 0.00 C ATOM 706 CZ PHE A 44 6.756 10.640 1.826 1.00 0.00 C ATOM 0 H PHE A 44 4.757 14.309 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 44 2.725 12.406 0.001 1.00 0.00 H new ATOM 0 HB2 PHE A 44 4.093 14.620 1.609 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.947 13.514 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.378 10.921 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 44 6.348 14.011 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.151 9.206 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 44 8.126 12.298 1.913 1.00 0.00 H new ATOM 0 HZ PHE A 44 7.531 9.891 1.894 1.00 0.00 H new ATOM 716 N GLN A 45 1.699 15.541 0.148 1.00 0.00 N ATOM 717 CA GLN A 45 0.433 16.345 0.191 1.00 0.00 C ATOM 718 C GLN A 45 -0.407 16.146 -1.073 1.00 0.00 C ATOM 719 O GLN A 45 -1.582 15.836 -1.006 1.00 0.00 O ATOM 720 CB GLN A 45 0.763 17.840 0.349 1.00 0.00 C ATOM 721 CG GLN A 45 1.883 18.277 -0.625 1.00 0.00 C ATOM 722 CD GLN A 45 2.777 19.330 0.043 1.00 0.00 C ATOM 723 OE1 GLN A 45 2.619 20.513 -0.171 1.00 0.00 O ATOM 724 NE2 GLN A 45 3.715 18.936 0.859 1.00 0.00 N ATOM 0 H GLN A 45 2.559 16.087 0.091 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.147 15.998 1.046 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.133 18.433 0.165 1.00 0.00 H new ATOM 0 HB3 GLN A 45 1.073 18.039 1.375 1.00 0.00 H new ATOM 0 HG2 GLN A 45 2.480 17.413 -0.917 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.445 18.685 -1.536 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.849 17.941 1.040 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.315 19.623 1.316 1.00 0.00 H new ATOM 733 N ASN A 46 0.176 16.332 -2.224 1.00 0.00 N ATOM 734 CA ASN A 46 -0.598 16.161 -3.488 1.00 0.00 C ATOM 735 C ASN A 46 -1.039 14.696 -3.630 1.00 0.00 C ATOM 736 O ASN A 46 -2.061 14.401 -4.219 1.00 0.00 O ATOM 737 CB ASN A 46 0.243 16.604 -4.697 1.00 0.00 C ATOM 738 CG ASN A 46 1.310 15.555 -5.016 1.00 0.00 C ATOM 739 OD1 ASN A 46 1.596 14.709 -4.199 1.00 0.00 O ATOM 740 ND2 ASN A 46 1.916 15.574 -6.179 1.00 0.00 N ATOM 0 H ASN A 46 1.154 16.595 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.487 16.790 -3.452 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.402 16.751 -5.563 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.717 17.563 -4.487 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.628 14.876 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.675 16.287 -6.868 1.00 0.00 H new ATOM 747 N ALA A 47 -0.289 13.770 -3.093 1.00 0.00 N ATOM 748 CA ALA A 47 -0.698 12.340 -3.215 1.00 0.00 C ATOM 749 C ALA A 47 -1.715 12.018 -2.136 1.00 0.00 C ATOM 750 O ALA A 47 -2.646 11.268 -2.357 1.00 0.00 O ATOM 751 CB ALA A 47 0.507 11.432 -3.018 1.00 0.00 C ATOM 0 H ALA A 47 0.578 13.938 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.123 12.180 -4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.197 10.391 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.258 11.655 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.930 11.599 -2.028 1.00 0.00 H new ATOM 757 N CYS A 48 -1.553 12.564 -0.966 1.00 0.00 N ATOM 758 CA CYS A 48 -2.526 12.265 0.107 1.00 0.00 C ATOM 759 C CYS A 48 -3.922 12.722 -0.328 1.00 0.00 C ATOM 760 O CYS A 48 -4.899 12.069 -0.029 1.00 0.00 O ATOM 761 CB CYS A 48 -2.123 12.963 1.398 1.00 0.00 C ATOM 762 SG CYS A 48 -2.488 14.734 1.274 1.00 0.00 S ATOM 0 H CYS A 48 -0.796 13.198 -0.711 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.539 11.190 0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.661 12.529 2.241 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.060 12.813 1.587 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.136 15.168 0.100 1.00 0.00 H new ATOM 768 N ARG A 49 -4.041 13.825 -1.053 1.00 0.00 N ATOM 769 CA ARG A 49 -5.409 14.242 -1.504 1.00 0.00 C ATOM 770 C ARG A 49 -5.934 13.169 -2.447 1.00 0.00 C ATOM 771 O ARG A 49 -7.059 12.727 -2.330 1.00 0.00 O ATOM 772 CB ARG A 49 -5.374 15.610 -2.198 1.00 0.00 C ATOM 773 CG ARG A 49 -4.193 15.698 -3.163 1.00 0.00 C ATOM 774 CD ARG A 49 -4.185 17.088 -3.798 1.00 0.00 C ATOM 775 NE ARG A 49 -3.283 17.113 -4.984 1.00 0.00 N ATOM 776 CZ ARG A 49 -3.337 18.124 -5.809 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.176 19.096 -5.589 1.00 0.00 N ATOM 778 NH2 ARG A 49 -2.550 18.173 -6.845 1.00 0.00 N ATOM 0 H ARG A 49 -3.273 14.432 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.068 14.344 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.306 15.772 -2.740 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.299 16.400 -1.451 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.257 15.519 -2.633 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.275 14.931 -3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.196 17.364 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.856 17.827 -3.067 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.630 16.348 -5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.789 19.066 -4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.220 19.887 -6.232 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.885 17.418 -7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.598 18.966 -7.485 1.00 0.00 H new ATOM 792 N ASP A 50 -5.085 12.691 -3.320 1.00 0.00 N ATOM 793 CA ASP A 50 -5.463 11.565 -4.219 1.00 0.00 C ATOM 794 C ASP A 50 -4.797 10.344 -3.619 1.00 0.00 C ATOM 795 O ASP A 50 -3.692 9.964 -3.957 1.00 0.00 O ATOM 796 CB ASP A 50 -4.995 11.794 -5.665 1.00 0.00 C ATOM 797 CG ASP A 50 -3.466 11.745 -5.790 1.00 0.00 C ATOM 798 OD1 ASP A 50 -2.937 10.665 -6.013 1.00 0.00 O ATOM 799 OD2 ASP A 50 -2.852 12.791 -5.693 1.00 0.00 O ATOM 0 H ASP A 50 -4.135 13.039 -3.448 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.546 11.458 -4.283 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.436 11.036 -6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.356 12.761 -6.014 1.00 0.00 H new ATOM 804 N GLY A 51 -5.448 9.765 -2.679 1.00 0.00 N ATOM 805 CA GLY A 51 -4.868 8.603 -1.968 1.00 0.00 C ATOM 806 C GLY A 51 -4.729 7.394 -2.897 1.00 0.00 C ATOM 807 O GLY A 51 -4.622 6.270 -2.459 1.00 0.00 O ATOM 0 H GLY A 51 -6.375 10.046 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.890 8.870 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.500 8.341 -1.119 1.00 0.00 H new ATOM 811 N ARG A 52 -4.691 7.613 -4.174 1.00 0.00 N ATOM 812 CA ARG A 52 -4.516 6.467 -5.118 1.00 0.00 C ATOM 813 C ARG A 52 -3.006 6.335 -5.370 1.00 0.00 C ATOM 814 O ARG A 52 -2.486 6.814 -6.353 1.00 0.00 O ATOM 815 CB ARG A 52 -5.235 6.804 -6.435 1.00 0.00 C ATOM 816 CG ARG A 52 -6.732 7.046 -6.183 1.00 0.00 C ATOM 817 CD ARG A 52 -7.449 7.343 -7.510 1.00 0.00 C ATOM 818 NE ARG A 52 -6.885 8.561 -8.156 1.00 0.00 N ATOM 819 CZ ARG A 52 -7.148 8.784 -9.415 1.00 0.00 C ATOM 820 NH1 ARG A 52 -7.969 7.991 -10.049 1.00 0.00 N ATOM 821 NH2 ARG A 52 -6.644 9.811 -10.029 1.00 0.00 N ATOM 0 H ARG A 52 -4.773 8.531 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.926 5.540 -4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.788 7.691 -6.884 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.107 5.988 -7.146 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.175 6.170 -5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.863 7.881 -5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.348 6.490 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.515 7.482 -7.329 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.304 9.209 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.399 7.205 -9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.181 8.157 -11.033 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.034 10.456 -9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.858 9.973 -11.013 1.00 0.00 H new ATOM 835 N SER A 53 -2.296 5.715 -4.457 1.00 0.00 N ATOM 836 CA SER A 53 -0.803 5.588 -4.599 1.00 0.00 C ATOM 837 C SER A 53 -0.392 4.508 -5.585 1.00 0.00 C ATOM 838 O SER A 53 -1.030 3.477 -5.707 1.00 0.00 O ATOM 839 CB SER A 53 -0.184 5.228 -3.252 1.00 0.00 C ATOM 840 OG SER A 53 1.211 4.998 -3.422 1.00 0.00 O ATOM 0 H SER A 53 -2.684 5.289 -3.616 1.00 0.00 H new ATOM 0 HA SER A 53 -0.450 6.552 -4.966 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.347 6.034 -2.537 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.664 4.338 -2.844 1.00 0.00 H new ATOM 0 HG SER A 53 1.653 5.837 -3.667 1.00 0.00 H new ATOM 846 N GLU A 54 0.736 4.713 -6.228 1.00 0.00 N ATOM 847 CA GLU A 54 1.294 3.686 -7.144 1.00 0.00 C ATOM 848 C GLU A 54 2.719 3.425 -6.644 1.00 0.00 C ATOM 849 O GLU A 54 3.491 4.349 -6.443 1.00 0.00 O ATOM 850 CB GLU A 54 1.334 4.213 -8.578 1.00 0.00 C ATOM 851 CG GLU A 54 -0.076 4.605 -9.018 1.00 0.00 C ATOM 852 CD GLU A 54 -0.081 4.892 -10.520 1.00 0.00 C ATOM 853 OE1 GLU A 54 0.905 4.578 -11.169 1.00 0.00 O ATOM 854 OE2 GLU A 54 -1.073 5.412 -10.997 1.00 0.00 O ATOM 0 H GLU A 54 1.295 5.563 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 54 0.687 2.780 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.999 5.075 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.736 3.451 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.776 3.802 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.408 5.485 -8.468 1.00 0.00 H new ATOM 861 N ILE A 55 3.068 2.191 -6.402 1.00 0.00 N ATOM 862 CA ILE A 55 4.438 1.892 -5.872 1.00 0.00 C ATOM 863 C ILE A 55 4.901 0.510 -6.333 1.00 0.00 C ATOM 864 O ILE A 55 4.110 -0.320 -6.734 1.00 0.00 O ATOM 865 CB ILE A 55 4.403 1.979 -4.344 1.00 0.00 C ATOM 866 CG1 ILE A 55 5.678 1.352 -3.739 1.00 0.00 C ATOM 867 CG2 ILE A 55 3.165 1.250 -3.796 1.00 0.00 C ATOM 868 CD1 ILE A 55 5.897 1.810 -2.287 1.00 0.00 C ATOM 0 H ILE A 55 2.470 1.377 -6.546 1.00 0.00 H new ATOM 0 HA ILE A 55 5.151 2.621 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 55 4.354 3.031 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.601 0.265 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.542 1.628 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.153 1.320 -2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.263 1.711 -4.199 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.200 0.201 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.803 1.349 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.000 2.895 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.044 1.511 -1.678 1.00 0.00 H new ATOM 880 N ALA A 56 6.193 0.267 -6.311 1.00 0.00 N ATOM 881 CA ALA A 56 6.704 -1.058 -6.804 1.00 0.00 C ATOM 882 C ALA A 56 7.920 -1.544 -6.009 1.00 0.00 C ATOM 883 O ALA A 56 8.587 -0.788 -5.323 1.00 0.00 O ATOM 884 CB ALA A 56 7.125 -0.886 -8.272 1.00 0.00 C ATOM 0 H ALA A 56 6.906 0.916 -5.979 1.00 0.00 H new ATOM 0 HA ALA A 56 5.910 -1.796 -6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.501 -1.834 -8.656 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.265 -0.570 -8.863 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.908 -0.131 -8.340 1.00 0.00 H new ATOM 890 N PHE A 57 8.223 -2.817 -6.144 1.00 0.00 N ATOM 891 CA PHE A 57 9.409 -3.393 -5.455 1.00 0.00 C ATOM 892 C PHE A 57 10.639 -3.170 -6.343 1.00 0.00 C ATOM 893 O PHE A 57 10.637 -3.525 -7.504 1.00 0.00 O ATOM 894 CB PHE A 57 9.234 -4.905 -5.302 1.00 0.00 C ATOM 895 CG PHE A 57 7.998 -5.248 -4.499 1.00 0.00 C ATOM 896 CD1 PHE A 57 7.938 -4.922 -3.146 1.00 0.00 C ATOM 897 CD2 PHE A 57 6.928 -5.922 -5.110 1.00 0.00 C ATOM 898 CE1 PHE A 57 6.802 -5.266 -2.391 1.00 0.00 C ATOM 899 CE2 PHE A 57 5.797 -6.272 -4.364 1.00 0.00 C ATOM 900 CZ PHE A 57 5.733 -5.943 -3.002 1.00 0.00 C ATOM 0 H PHE A 57 7.691 -3.480 -6.708 1.00 0.00 H new ATOM 0 HA PHE A 57 9.522 -2.921 -4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 57 9.166 -5.365 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.113 -5.325 -4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 57 8.763 -4.406 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 57 6.978 -6.171 -6.160 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.752 -5.010 -1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.977 -6.793 -4.835 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.862 -6.210 -2.423 1.00 0.00 H new ATOM 910 N VAL A 58 11.689 -2.602 -5.822 1.00 0.00 N ATOM 911 CA VAL A 58 12.906 -2.388 -6.666 1.00 0.00 C ATOM 912 C VAL A 58 13.420 -3.739 -7.176 1.00 0.00 C ATOM 913 O VAL A 58 13.856 -3.870 -8.307 1.00 0.00 O ATOM 914 CB VAL A 58 13.999 -1.695 -5.845 1.00 0.00 C ATOM 915 CG1 VAL A 58 15.275 -1.551 -6.681 1.00 0.00 C ATOM 916 CG2 VAL A 58 13.499 -0.313 -5.440 1.00 0.00 C ATOM 0 H VAL A 58 11.762 -2.278 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 58 12.646 -1.755 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 58 14.225 -2.290 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 58 16.045 -1.057 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 58 15.626 -2.538 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 58 15.063 -0.955 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 58 14.266 0.194 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 58 13.280 0.271 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 58 12.594 -0.415 -4.842 1.00 0.00 H new ATOM 926 N ALA A 59 13.387 -4.745 -6.341 1.00 0.00 N ATOM 927 CA ALA A 59 13.894 -6.084 -6.757 1.00 0.00 C ATOM 928 C ALA A 59 13.115 -6.615 -7.976 1.00 0.00 C ATOM 929 O ALA A 59 13.700 -7.188 -8.873 1.00 0.00 O ATOM 930 CB ALA A 59 13.735 -7.085 -5.604 1.00 0.00 C ATOM 0 H ALA A 59 13.030 -4.695 -5.387 1.00 0.00 H new ATOM 0 HA ALA A 59 14.946 -5.975 -7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 59 14.108 -8.061 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.303 -6.739 -4.740 1.00 0.00 H new ATOM 0 HB3 ALA A 59 12.682 -7.167 -5.336 1.00 0.00 H new ATOM 936 N THR A 60 11.806 -6.441 -8.011 1.00 0.00 N ATOM 937 CA THR A 60 10.988 -6.957 -9.167 1.00 0.00 C ATOM 938 C THR A 60 10.264 -5.802 -9.864 1.00 0.00 C ATOM 939 O THR A 60 9.837 -4.855 -9.242 1.00 0.00 O ATOM 940 CB THR A 60 9.949 -7.970 -8.660 1.00 0.00 C ATOM 941 OG1 THR A 60 10.595 -8.976 -7.886 1.00 0.00 O ATOM 942 CG2 THR A 60 9.242 -8.617 -9.861 1.00 0.00 C ATOM 0 H THR A 60 11.269 -5.963 -7.287 1.00 0.00 H new ATOM 0 HA THR A 60 11.659 -7.441 -9.877 1.00 0.00 H new ATOM 0 HB THR A 60 9.216 -7.457 -8.038 1.00 0.00 H new ATOM 0 HG1 THR A 60 10.198 -9.849 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.504 -9.336 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.743 -7.846 -10.448 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.976 -9.129 -10.483 1.00 0.00 H new ATOM 950 N GLY A 61 10.117 -5.876 -11.159 1.00 0.00 N ATOM 951 CA GLY A 61 9.414 -4.779 -11.886 1.00 0.00 C ATOM 952 C GLY A 61 7.917 -4.861 -11.603 1.00 0.00 C ATOM 953 O GLY A 61 7.123 -4.163 -12.201 1.00 0.00 O ATOM 0 H GLY A 61 10.451 -6.643 -11.743 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.803 -3.811 -11.570 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.598 -4.862 -12.957 1.00 0.00 H new ATOM 957 N THR A 62 7.518 -5.696 -10.682 1.00 0.00 N ATOM 958 CA THR A 62 6.072 -5.795 -10.357 1.00 0.00 C ATOM 959 C THR A 62 5.641 -4.507 -9.654 1.00 0.00 C ATOM 960 O THR A 62 6.309 -4.031 -8.758 1.00 0.00 O ATOM 961 CB THR A 62 5.828 -6.978 -9.409 1.00 0.00 C ATOM 962 OG1 THR A 62 6.276 -8.191 -10.004 1.00 0.00 O ATOM 963 CG2 THR A 62 4.330 -7.083 -9.103 1.00 0.00 C ATOM 0 H THR A 62 8.130 -6.310 -10.144 1.00 0.00 H new ATOM 0 HA THR A 62 5.502 -5.943 -11.275 1.00 0.00 H new ATOM 0 HB THR A 62 6.384 -6.812 -8.486 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.116 -8.936 -9.388 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.154 -7.922 -8.430 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.990 -6.162 -8.631 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.779 -7.240 -10.030 1.00 0.00 H new ATOM 971 N ASN A 63 4.529 -3.939 -10.044 1.00 0.00 N ATOM 972 CA ASN A 63 4.051 -2.679 -9.395 1.00 0.00 C ATOM 973 C ASN A 63 2.636 -2.893 -8.853 1.00 0.00 C ATOM 974 O ASN A 63 1.764 -3.369 -9.556 1.00 0.00 O ATOM 975 CB ASN A 63 4.028 -1.564 -10.433 1.00 0.00 C ATOM 976 CG ASN A 63 3.639 -0.257 -9.751 1.00 0.00 C ATOM 977 OD1 ASN A 63 4.461 0.624 -9.585 1.00 0.00 O ATOM 978 ND2 ASN A 63 2.416 -0.100 -9.334 1.00 0.00 N ATOM 0 H ASN A 63 3.928 -4.295 -10.787 1.00 0.00 H new ATOM 0 HA ASN A 63 4.718 -2.410 -8.576 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.007 -1.467 -10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.317 -1.801 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.144 0.764 -8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.730 -0.841 -9.475 1.00 0.00 H new ATOM 985 N LEU A 64 2.404 -2.546 -7.606 1.00 0.00 N ATOM 986 CA LEU A 64 1.041 -2.721 -7.001 1.00 0.00 C ATOM 987 C LEU A 64 0.395 -1.345 -6.783 1.00 0.00 C ATOM 988 O LEU A 64 0.965 -0.472 -6.154 1.00 0.00 O ATOM 989 CB LEU A 64 1.174 -3.455 -5.641 1.00 0.00 C ATOM 990 CG LEU A 64 1.060 -4.973 -5.843 1.00 0.00 C ATOM 991 CD1 LEU A 64 2.229 -5.465 -6.685 1.00 0.00 C ATOM 992 CD2 LEU A 64 1.078 -5.683 -4.481 1.00 0.00 C ATOM 0 H LEU A 64 3.103 -2.148 -6.979 1.00 0.00 H new ATOM 0 HA LEU A 64 0.416 -3.309 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.132 -3.213 -5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.397 -3.113 -4.957 1.00 0.00 H new ATOM 0 HG LEU A 64 0.123 -5.196 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.147 -6.543 -6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.213 -4.968 -7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.165 -5.237 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.997 -6.760 -4.631 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.012 -5.458 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.238 -5.336 -3.879 1.00 0.00 H new ATOM 1004 N SER A 65 -0.808 -1.163 -7.274 1.00 0.00 N ATOM 1005 CA SER A 65 -1.531 0.129 -7.086 1.00 0.00 C ATOM 1006 C SER A 65 -2.547 -0.065 -5.956 1.00 0.00 C ATOM 1007 O SER A 65 -3.061 -1.150 -5.769 1.00 0.00 O ATOM 1008 CB SER A 65 -2.253 0.493 -8.382 1.00 0.00 C ATOM 1009 OG SER A 65 -3.246 -0.479 -8.663 1.00 0.00 O ATOM 0 H SER A 65 -1.324 -1.866 -7.803 1.00 0.00 H new ATOM 0 HA SER A 65 -0.838 0.931 -6.834 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.710 1.478 -8.291 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.540 0.547 -9.205 1.00 0.00 H new ATOM 0 HG SER A 65 -3.709 -0.243 -9.494 1.00 0.00 H new ATOM 1015 N LEU A 66 -2.834 0.950 -5.181 1.00 0.00 N ATOM 1016 CA LEU A 66 -3.808 0.765 -4.059 1.00 0.00 C ATOM 1017 C LEU A 66 -4.491 2.096 -3.712 1.00 0.00 C ATOM 1018 O LEU A 66 -4.103 3.150 -4.179 1.00 0.00 O ATOM 1019 CB LEU A 66 -3.095 0.194 -2.816 1.00 0.00 C ATOM 1020 CG LEU A 66 -1.718 0.842 -2.617 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -1.224 0.502 -1.205 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -0.692 0.324 -3.659 1.00 0.00 C ATOM 0 H LEU A 66 -2.443 1.888 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.571 0.057 -4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.710 0.362 -1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.980 -0.885 -2.923 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.813 1.920 -2.748 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.245 0.954 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.929 0.890 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.146 -0.580 -1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.272 0.803 -3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.584 -0.756 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.043 0.560 -4.664 1.00 0.00 H new ATOM 1034 N GLN A 67 -5.506 2.045 -2.880 1.00 0.00 N ATOM 1035 CA GLN A 67 -6.230 3.294 -2.476 1.00 0.00 C ATOM 1036 C GLN A 67 -6.566 3.194 -0.991 1.00 0.00 C ATOM 1037 O GLN A 67 -7.316 2.332 -0.581 1.00 0.00 O ATOM 1038 CB GLN A 67 -7.545 3.408 -3.259 1.00 0.00 C ATOM 1039 CG GLN A 67 -7.262 3.259 -4.751 1.00 0.00 C ATOM 1040 CD GLN A 67 -8.564 3.388 -5.539 1.00 0.00 C ATOM 1041 OE1 GLN A 67 -9.597 2.913 -5.116 1.00 0.00 O ATOM 1042 NE2 GLN A 67 -8.558 4.014 -6.683 1.00 0.00 N ATOM 0 H GLN A 67 -5.866 1.187 -2.461 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.604 4.163 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.244 2.638 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.016 4.371 -3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.553 4.022 -5.074 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.801 2.291 -4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.691 4.414 -7.041 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.421 4.103 -7.220 1.00 0.00 H new ATOM 1051 N PHE A 68 -6.022 4.063 -0.174 1.00 0.00 N ATOM 1052 CA PHE A 68 -6.325 4.002 1.295 1.00 0.00 C ATOM 1053 C PHE A 68 -7.551 4.859 1.601 1.00 0.00 C ATOM 1054 O PHE A 68 -8.628 4.361 1.835 1.00 0.00 O ATOM 1055 CB PHE A 68 -5.108 4.509 2.106 1.00 0.00 C ATOM 1056 CG PHE A 68 -4.264 5.404 1.242 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -3.468 4.835 0.256 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -4.276 6.797 1.428 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -2.675 5.649 -0.549 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -3.478 7.614 0.627 1.00 0.00 C ATOM 1061 CZ PHE A 68 -2.672 7.037 -0.364 1.00 0.00 C ATOM 0 H PHE A 68 -5.385 4.808 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.531 2.969 1.577 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.447 5.052 2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.516 3.665 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.464 3.764 0.114 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.903 7.235 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.060 5.208 -1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.481 8.685 0.770 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.049 7.663 -0.985 1.00 0.00 H new ATOM 1071 N PHE A 69 -7.383 6.149 1.594 1.00 0.00 N ATOM 1072 CA PHE A 69 -8.529 7.065 1.878 1.00 0.00 C ATOM 1073 C PHE A 69 -8.346 8.346 1.059 1.00 0.00 C ATOM 1074 O PHE A 69 -8.040 9.390 1.594 1.00 0.00 O ATOM 1075 CB PHE A 69 -8.540 7.409 3.379 1.00 0.00 C ATOM 1076 CG PHE A 69 -9.609 8.449 3.659 1.00 0.00 C ATOM 1077 CD1 PHE A 69 -10.950 8.173 3.363 1.00 0.00 C ATOM 1078 CD2 PHE A 69 -9.259 9.695 4.204 1.00 0.00 C ATOM 1079 CE1 PHE A 69 -11.936 9.136 3.604 1.00 0.00 C ATOM 1080 CE2 PHE A 69 -10.246 10.655 4.451 1.00 0.00 C ATOM 1081 CZ PHE A 69 -11.585 10.375 4.149 1.00 0.00 C ATOM 0 H PHE A 69 -6.496 6.616 1.403 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.471 6.586 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.731 6.511 3.966 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.564 7.787 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.224 7.214 2.948 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.226 9.912 4.433 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -12.968 8.922 3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.976 11.611 4.874 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.347 11.117 4.337 1.00 0.00 H new ATOM 1091 N PRO A 70 -8.506 8.268 -0.230 1.00 0.00 N ATOM 1092 CA PRO A 70 -8.319 9.442 -1.123 1.00 0.00 C ATOM 1093 C PRO A 70 -9.346 10.549 -0.862 1.00 0.00 C ATOM 1094 O PRO A 70 -10.440 10.298 -0.403 1.00 0.00 O ATOM 1095 CB PRO A 70 -8.476 8.861 -2.548 1.00 0.00 C ATOM 1096 CG PRO A 70 -8.433 7.368 -2.399 1.00 0.00 C ATOM 1097 CD PRO A 70 -8.890 7.064 -0.977 1.00 0.00 C ATOM 0 HA PRO A 70 -7.352 9.919 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -9.416 9.180 -2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.676 9.210 -3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.085 6.886 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.426 6.989 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.965 6.888 -0.930 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.403 6.173 -0.581 1.00 0.00 H new ATOM 1105 N ALA A 71 -9.007 11.774 -1.165 1.00 0.00 N ATOM 1106 CA ALA A 71 -9.984 12.869 -0.942 1.00 0.00 C ATOM 1107 C ALA A 71 -11.270 12.526 -1.700 1.00 0.00 C ATOM 1108 O ALA A 71 -12.363 12.721 -1.210 1.00 0.00 O ATOM 1109 CB ALA A 71 -9.419 14.189 -1.471 1.00 0.00 C ATOM 0 H ALA A 71 -8.107 12.058 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 71 -10.186 12.975 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.142 14.987 -1.304 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.492 14.424 -0.948 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.220 14.098 -2.539 1.00 0.00 H new ATOM 1115 N SER A 72 -11.145 12.017 -2.900 1.00 0.00 N ATOM 1116 CA SER A 72 -12.372 11.670 -3.680 1.00 0.00 C ATOM 1117 C SER A 72 -12.005 11.103 -5.053 1.00 0.00 C ATOM 1118 O SER A 72 -11.221 11.684 -5.779 1.00 0.00 O ATOM 1119 CB SER A 72 -13.180 12.939 -3.886 1.00 0.00 C ATOM 1120 OG SER A 72 -13.910 12.846 -5.105 1.00 0.00 O ATOM 0 H SER A 72 -10.259 11.829 -3.368 1.00 0.00 H new ATOM 0 HA SER A 72 -12.941 10.920 -3.130 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.864 13.086 -3.051 1.00 0.00 H new ATOM 0 HB3 SER A 72 -12.518 13.804 -3.912 1.00 0.00 H new ATOM 0 HG SER A 72 -13.757 13.653 -5.640 1.00 0.00 H new ATOM 1126 N TRP A 73 -12.600 9.999 -5.429 1.00 0.00 N ATOM 1127 CA TRP A 73 -12.332 9.419 -6.777 1.00 0.00 C ATOM 1128 C TRP A 73 -13.302 10.073 -7.763 1.00 0.00 C ATOM 1129 O TRP A 73 -12.948 10.927 -8.552 1.00 0.00 O ATOM 1130 CB TRP A 73 -12.574 7.884 -6.744 1.00 0.00 C ATOM 1131 CG TRP A 73 -11.693 7.172 -7.729 1.00 0.00 C ATOM 1132 CD1 TRP A 73 -10.745 6.279 -7.380 1.00 0.00 C ATOM 1133 CD2 TRP A 73 -11.671 7.245 -9.189 1.00 0.00 C ATOM 1134 NE1 TRP A 73 -10.104 5.827 -8.522 1.00 0.00 N ATOM 1135 CE2 TRP A 73 -10.643 6.390 -9.663 1.00 0.00 C ATOM 1136 CE3 TRP A 73 -12.416 7.971 -10.137 1.00 0.00 C ATOM 1137 CZ2 TRP A 73 -10.373 6.262 -11.031 1.00 0.00 C ATOM 1138 CZ3 TRP A 73 -12.148 7.840 -11.503 1.00 0.00 C ATOM 1139 CH2 TRP A 73 -11.127 6.994 -11.952 1.00 0.00 C ATOM 0 H TRP A 73 -13.262 9.474 -4.857 1.00 0.00 H new ATOM 0 HA TRP A 73 -11.300 9.601 -7.076 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -12.382 7.505 -5.740 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -13.619 7.674 -6.969 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.521 5.966 -6.371 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.331 5.162 -8.521 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -13.201 8.635 -9.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -9.588 5.603 -11.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -12.734 8.397 -12.219 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.922 6.907 -13.009 1.00 0.00 H new ATOM 1150 N GLN A 74 -14.538 9.642 -7.716 1.00 0.00 N ATOM 1151 CA GLN A 74 -15.596 10.167 -8.627 1.00 0.00 C ATOM 1152 C GLN A 74 -16.256 11.392 -7.996 1.00 0.00 C ATOM 1153 O GLN A 74 -17.102 12.032 -8.592 1.00 0.00 O ATOM 1154 CB GLN A 74 -16.639 9.054 -8.806 1.00 0.00 C ATOM 1155 CG GLN A 74 -15.944 7.828 -9.397 1.00 0.00 C ATOM 1156 CD GLN A 74 -16.965 6.725 -9.710 1.00 0.00 C ATOM 1157 OE1 GLN A 74 -16.643 5.774 -10.396 1.00 0.00 O ATOM 1158 NE2 GLN A 74 -18.184 6.806 -9.240 1.00 0.00 N ATOM 0 H GLN A 74 -14.864 8.928 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 74 -15.171 10.458 -9.587 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -17.096 8.805 -7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -17.441 9.389 -9.464 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -15.413 8.108 -10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -15.199 7.453 -8.696 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -18.457 7.603 -8.664 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -18.861 6.072 -9.449 1.00 0.00 H new ATOM 1167 N GLY A 75 -15.886 11.711 -6.790 1.00 0.00 N ATOM 1168 CA GLY A 75 -16.490 12.874 -6.105 1.00 0.00 C ATOM 1169 C GLY A 75 -15.917 14.168 -6.664 1.00 0.00 C ATOM 1170 O GLY A 75 -14.781 14.230 -7.090 1.00 0.00 O ATOM 0 H GLY A 75 -15.184 11.208 -6.248 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -17.572 12.861 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -16.297 12.815 -5.034 1.00 0.00 H new ATOM 1174 N GLU A 76 -16.705 15.207 -6.643 1.00 0.00 N ATOM 1175 CA GLU A 76 -16.238 16.532 -7.140 1.00 0.00 C ATOM 1176 C GLU A 76 -15.964 17.439 -5.937 1.00 0.00 C ATOM 1177 O GLU A 76 -16.002 18.648 -6.040 1.00 0.00 O ATOM 1178 CB GLU A 76 -17.317 17.164 -8.019 1.00 0.00 C ATOM 1179 CG GLU A 76 -18.533 17.541 -7.159 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.734 17.812 -8.072 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.236 16.865 -8.658 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -20.126 18.963 -8.180 1.00 0.00 O ATOM 0 H GLU A 76 -17.665 15.194 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.329 16.406 -7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.922 18.050 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.616 16.467 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.765 16.735 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.310 18.424 -6.560 1.00 0.00 H new ATOM 1189 N GLN A 77 -15.716 16.859 -4.786 1.00 0.00 N ATOM 1190 CA GLN A 77 -15.464 17.687 -3.566 1.00 0.00 C ATOM 1191 C GLN A 77 -14.227 18.542 -3.771 1.00 0.00 C ATOM 1192 O GLN A 77 -13.832 18.833 -4.884 1.00 0.00 O ATOM 1193 CB GLN A 77 -15.277 16.774 -2.332 1.00 0.00 C ATOM 1194 CG GLN A 77 -13.961 15.985 -2.416 1.00 0.00 C ATOM 1195 CD GLN A 77 -13.866 15.033 -1.215 1.00 0.00 C ATOM 1196 OE1 GLN A 77 -12.828 14.923 -0.591 1.00 0.00 O ATOM 1197 NE2 GLN A 77 -14.915 14.347 -0.854 1.00 0.00 N ATOM 0 H GLN A 77 -15.678 15.850 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 77 -16.323 18.336 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -15.284 17.379 -1.425 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -16.115 16.081 -2.259 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.921 15.420 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -13.112 16.669 -2.421 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -15.787 14.437 -1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.863 13.721 -0.051 1.00 0.00 H new ATOM 1206 N ARG A 78 -13.641 18.980 -2.697 1.00 0.00 N ATOM 1207 CA ARG A 78 -12.448 19.859 -2.781 1.00 0.00 C ATOM 1208 C ARG A 78 -11.170 19.024 -2.671 1.00 0.00 C ATOM 1209 O ARG A 78 -11.170 17.912 -2.177 1.00 0.00 O ATOM 1210 CB ARG A 78 -12.531 20.850 -1.629 1.00 0.00 C ATOM 1211 CG ARG A 78 -13.852 21.601 -1.753 1.00 0.00 C ATOM 1212 CD ARG A 78 -13.924 22.692 -0.702 1.00 0.00 C ATOM 1213 NE ARG A 78 -13.688 22.094 0.646 1.00 0.00 N ATOM 1214 CZ ARG A 78 -13.367 22.861 1.656 1.00 0.00 C ATOM 1215 NH1 ARG A 78 -13.198 24.138 1.468 1.00 0.00 N ATOM 1216 NH2 ARG A 78 -13.187 22.346 2.846 1.00 0.00 N ATOM 0 H ARG A 78 -13.944 18.762 -1.748 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.423 20.384 -3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.476 20.329 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.692 21.545 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.941 22.036 -2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -14.686 20.910 -1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.179 23.461 -0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -14.899 23.178 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.777 21.087 0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.316 24.536 0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.948 24.740 2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.297 21.342 2.989 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.937 22.949 3.630 1.00 0.00 H new ATOM 1230 N GLN A 79 -10.086 19.550 -3.153 1.00 0.00 N ATOM 1231 CA GLN A 79 -8.799 18.797 -3.112 1.00 0.00 C ATOM 1232 C GLN A 79 -8.170 18.905 -1.716 1.00 0.00 C ATOM 1233 O GLN A 79 -6.992 19.161 -1.568 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.848 19.348 -4.191 1.00 0.00 C ATOM 1235 CG GLN A 79 -8.026 20.873 -4.332 1.00 0.00 C ATOM 1236 CD GLN A 79 -9.136 21.194 -5.335 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -9.271 22.321 -5.774 1.00 0.00 O ATOM 1238 NE2 GLN A 79 -9.949 20.248 -5.706 1.00 0.00 N ATOM 0 H GLN A 79 -10.031 20.476 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.985 17.743 -3.317 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.816 19.118 -3.927 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.049 18.862 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.268 21.308 -3.362 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.090 21.325 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.835 19.304 -5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.700 20.451 -6.365 1.00 0.00 H new ATOM 1247 N THR A 80 -8.954 18.679 -0.690 1.00 0.00 N ATOM 1248 CA THR A 80 -8.415 18.731 0.706 1.00 0.00 C ATOM 1249 C THR A 80 -7.594 17.442 0.949 1.00 0.00 C ATOM 1250 O THR A 80 -7.957 16.386 0.474 1.00 0.00 O ATOM 1251 CB THR A 80 -9.587 18.803 1.698 1.00 0.00 C ATOM 1252 OG1 THR A 80 -9.092 19.044 3.002 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.351 17.480 1.686 1.00 0.00 C ATOM 0 H THR A 80 -9.948 18.460 -0.759 1.00 0.00 H new ATOM 0 HA THR A 80 -7.783 19.608 0.845 1.00 0.00 H new ATOM 0 HB THR A 80 -10.255 19.613 1.406 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.841 19.091 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.181 17.533 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.736 17.291 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.681 16.670 1.976 1.00 0.00 H new ATOM 1261 N PRO A 81 -6.492 17.514 1.660 1.00 0.00 N ATOM 1262 CA PRO A 81 -5.631 16.328 1.910 1.00 0.00 C ATOM 1263 C PRO A 81 -6.243 15.363 2.926 1.00 0.00 C ATOM 1264 O PRO A 81 -7.145 15.699 3.667 1.00 0.00 O ATOM 1265 CB PRO A 81 -4.335 16.927 2.462 1.00 0.00 C ATOM 1266 CG PRO A 81 -4.783 18.163 3.163 1.00 0.00 C ATOM 1267 CD PRO A 81 -5.949 18.709 2.324 1.00 0.00 C ATOM 0 HA PRO A 81 -5.491 15.738 1.004 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.836 16.239 3.144 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -3.628 17.154 1.664 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -5.102 17.943 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.974 18.891 3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.698 19.195 2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.609 19.449 1.600 1.00 0.00 H new ATOM 1275 N SER A 82 -5.725 14.170 2.966 1.00 0.00 N ATOM 1276 CA SER A 82 -6.225 13.146 3.925 1.00 0.00 C ATOM 1277 C SER A 82 -5.581 13.392 5.293 1.00 0.00 C ATOM 1278 O SER A 82 -4.383 13.275 5.457 1.00 0.00 O ATOM 1279 CB SER A 82 -5.831 11.761 3.406 1.00 0.00 C ATOM 1280 OG SER A 82 -6.053 10.788 4.418 1.00 0.00 O ATOM 0 H SER A 82 -4.963 13.855 2.365 1.00 0.00 H new ATOM 0 HA SER A 82 -7.309 13.207 4.021 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.414 11.516 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.782 11.758 3.109 1.00 0.00 H new ATOM 0 HG SER A 82 -5.801 9.903 4.082 1.00 0.00 H new ATOM 1286 N ARG A 83 -6.382 13.732 6.271 1.00 0.00 N ATOM 1287 CA ARG A 83 -5.860 13.994 7.643 1.00 0.00 C ATOM 1288 C ARG A 83 -5.145 12.745 8.150 1.00 0.00 C ATOM 1289 O ARG A 83 -4.168 12.808 8.877 1.00 0.00 O ATOM 1290 CB ARG A 83 -7.048 14.280 8.568 1.00 0.00 C ATOM 1291 CG ARG A 83 -6.525 14.688 9.951 1.00 0.00 C ATOM 1292 CD ARG A 83 -7.690 14.926 10.920 1.00 0.00 C ATOM 1293 NE ARG A 83 -7.157 15.404 12.245 1.00 0.00 N ATOM 1294 CZ ARG A 83 -6.345 14.676 12.970 1.00 0.00 C ATOM 1295 NH1 ARG A 83 -6.060 13.454 12.617 1.00 0.00 N ATOM 1296 NH2 ARG A 83 -5.845 15.168 14.071 1.00 0.00 N ATOM 0 H ARG A 83 -7.391 13.840 6.173 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.172 14.840 7.627 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.666 15.075 8.151 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.680 13.396 8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.872 13.908 10.343 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.925 15.594 9.866 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.376 15.664 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.257 14.005 11.056 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.437 16.323 12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.470 13.059 11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.427 12.893 13.187 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.087 16.115 14.363 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.212 14.605 14.640 1.00 0.00 H new ATOM 1310 N GLU A 84 -5.645 11.610 7.776 1.00 0.00 N ATOM 1311 CA GLU A 84 -5.039 10.326 8.220 1.00 0.00 C ATOM 1312 C GLU A 84 -3.578 10.235 7.773 1.00 0.00 C ATOM 1313 O GLU A 84 -2.760 9.598 8.400 1.00 0.00 O ATOM 1314 CB GLU A 84 -5.843 9.178 7.614 1.00 0.00 C ATOM 1315 CG GLU A 84 -7.207 9.107 8.293 1.00 0.00 C ATOM 1316 CD GLU A 84 -8.046 8.001 7.641 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -7.805 7.704 6.481 1.00 0.00 O ATOM 1318 OE2 GLU A 84 -8.913 7.470 8.313 1.00 0.00 O ATOM 0 H GLU A 84 -6.461 11.511 7.172 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.062 10.269 9.308 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.965 9.330 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.309 8.236 7.744 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.085 8.906 9.357 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.719 10.065 8.206 1.00 0.00 H new ATOM 1325 N TYR A 85 -3.240 10.843 6.683 1.00 0.00 N ATOM 1326 CA TYR A 85 -1.838 10.764 6.200 1.00 0.00 C ATOM 1327 C TYR A 85 -0.891 11.544 7.151 1.00 0.00 C ATOM 1328 O TYR A 85 0.215 11.115 7.422 1.00 0.00 O ATOM 1329 CB TYR A 85 -1.823 11.291 4.743 1.00 0.00 C ATOM 1330 CG TYR A 85 -0.825 12.411 4.526 1.00 0.00 C ATOM 1331 CD1 TYR A 85 0.544 12.187 4.717 1.00 0.00 C ATOM 1332 CD2 TYR A 85 -1.275 13.662 4.084 1.00 0.00 C ATOM 1333 CE1 TYR A 85 1.460 13.216 4.464 1.00 0.00 C ATOM 1334 CE2 TYR A 85 -0.361 14.688 3.836 1.00 0.00 C ATOM 1335 CZ TYR A 85 1.008 14.464 4.021 1.00 0.00 C ATOM 1336 OH TYR A 85 1.915 15.474 3.775 1.00 0.00 O ATOM 0 H TYR A 85 -3.872 11.393 6.101 1.00 0.00 H new ATOM 0 HA TYR A 85 -1.467 9.739 6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.589 10.468 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.820 11.645 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.893 11.224 5.058 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -2.331 13.833 3.935 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.516 13.046 4.611 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.710 15.654 3.502 1.00 0.00 H new ATOM 0 HH TYR A 85 1.438 16.275 3.473 1.00 0.00 H new ATOM 1346 N VAL A 86 -1.317 12.666 7.673 1.00 0.00 N ATOM 1347 CA VAL A 86 -0.440 13.453 8.603 1.00 0.00 C ATOM 1348 C VAL A 86 -0.717 13.031 10.043 1.00 0.00 C ATOM 1349 O VAL A 86 -0.219 13.627 10.981 1.00 0.00 O ATOM 1350 CB VAL A 86 -0.685 14.973 8.416 1.00 0.00 C ATOM 1351 CG1 VAL A 86 0.553 15.762 8.882 1.00 0.00 C ATOM 1352 CG2 VAL A 86 -0.911 15.276 6.926 1.00 0.00 C ATOM 0 H VAL A 86 -2.235 13.075 7.497 1.00 0.00 H new ATOM 0 HA VAL A 86 0.606 13.250 8.372 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.558 15.263 9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.376 16.829 8.749 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.741 15.554 9.935 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.419 15.462 8.292 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.083 16.344 6.794 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.031 14.977 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.779 14.722 6.570 1.00 0.00 H new ATOM 1362 N ASP A 87 -1.473 11.976 10.228 1.00 0.00 N ATOM 1363 CA ASP A 87 -1.740 11.484 11.619 1.00 0.00 C ATOM 1364 C ASP A 87 -0.727 10.387 11.903 1.00 0.00 C ATOM 1365 O ASP A 87 -0.639 9.879 13.001 1.00 0.00 O ATOM 1366 CB ASP A 87 -3.184 10.931 11.753 1.00 0.00 C ATOM 1367 CG ASP A 87 -3.329 9.536 11.105 1.00 0.00 C ATOM 1368 OD1 ASP A 87 -2.355 9.030 10.577 1.00 0.00 O ATOM 1369 OD2 ASP A 87 -4.428 9.006 11.139 1.00 0.00 O ATOM 0 H ASP A 87 -1.914 11.437 9.483 1.00 0.00 H new ATOM 0 HA ASP A 87 -1.646 12.302 12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.453 10.871 12.807 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.883 11.624 11.284 1.00 0.00 H new ATOM 1374 N LEU A 88 0.055 10.036 10.898 1.00 0.00 N ATOM 1375 CA LEU A 88 1.096 8.982 11.064 1.00 0.00 C ATOM 1376 C LEU A 88 2.447 9.601 10.711 1.00 0.00 C ATOM 1377 O LEU A 88 3.491 9.058 11.024 1.00 0.00 O ATOM 1378 CB LEU A 88 0.783 7.753 10.166 1.00 0.00 C ATOM 1379 CG LEU A 88 0.135 8.162 8.818 1.00 0.00 C ATOM 1380 CD1 LEU A 88 1.222 8.589 7.828 1.00 0.00 C ATOM 1381 CD2 LEU A 88 -0.614 6.969 8.205 1.00 0.00 C ATOM 0 H LEU A 88 0.008 10.445 9.965 1.00 0.00 H new ATOM 0 HA LEU A 88 1.113 8.623 12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.704 7.203 9.972 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.114 7.077 10.699 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.556 8.983 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.761 8.875 6.883 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.772 9.437 8.235 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.908 7.759 7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.064 7.269 7.259 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.085 6.151 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.395 6.639 8.890 1.00 0.00 H new ATOM 1393 N GLU A 89 2.436 10.759 10.103 1.00 0.00 N ATOM 1394 CA GLU A 89 3.719 11.443 9.770 1.00 0.00 C ATOM 1395 C GLU A 89 4.265 12.067 11.055 1.00 0.00 C ATOM 1396 O GLU A 89 5.451 12.094 11.304 1.00 0.00 O ATOM 1397 CB GLU A 89 3.440 12.543 8.736 1.00 0.00 C ATOM 1398 CG GLU A 89 4.753 13.105 8.190 1.00 0.00 C ATOM 1399 CD GLU A 89 4.437 14.221 7.188 1.00 0.00 C ATOM 1400 OE1 GLU A 89 3.519 14.982 7.455 1.00 0.00 O ATOM 1401 OE2 GLU A 89 5.121 14.307 6.182 1.00 0.00 O ATOM 0 H GLU A 89 1.593 11.260 9.823 1.00 0.00 H new ATOM 0 HA GLU A 89 4.442 10.739 9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.842 12.140 7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.857 13.342 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.365 13.492 9.005 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.329 12.316 7.706 1.00 0.00 H new ATOM 1408 N ARG A 90 3.381 12.552 11.877 1.00 0.00 N ATOM 1409 CA ARG A 90 3.778 13.178 13.172 1.00 0.00 C ATOM 1410 C ARG A 90 4.506 12.168 14.055 1.00 0.00 C ATOM 1411 O ARG A 90 5.297 12.528 14.909 1.00 0.00 O ATOM 1412 CB ARG A 90 2.524 13.681 13.897 1.00 0.00 C ATOM 1413 CG ARG A 90 2.932 14.517 15.116 1.00 0.00 C ATOM 1414 CD ARG A 90 1.691 14.874 15.939 1.00 0.00 C ATOM 1415 NE ARG A 90 2.063 15.854 17.009 1.00 0.00 N ATOM 1416 CZ ARG A 90 1.146 16.551 17.631 1.00 0.00 C ATOM 1417 NH1 ARG A 90 -0.119 16.396 17.341 1.00 0.00 N ATOM 1418 NH2 ARG A 90 1.508 17.403 18.557 1.00 0.00 N ATOM 0 H ARG A 90 2.376 12.542 11.704 1.00 0.00 H new ATOM 0 HA ARG A 90 4.450 14.012 12.969 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.917 14.281 13.219 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.911 12.837 14.212 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.639 13.960 15.730 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.439 15.426 14.792 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.924 15.300 15.293 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.268 13.975 16.387 1.00 0.00 H new ATOM 0 HE ARG A 90 3.044 15.980 17.256 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.400 15.727 16.624 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.826 16.944 17.832 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.495 17.518 18.787 1.00 0.00 H new ATOM 0 HH22 ARG A 90 0.803 17.952 19.049 1.00 0.00 H new ATOM 1432 N GLU A 91 4.210 10.911 13.897 1.00 0.00 N ATOM 1433 CA GLU A 91 4.845 9.882 14.766 1.00 0.00 C ATOM 1434 C GLU A 91 6.286 9.594 14.336 1.00 0.00 C ATOM 1435 O GLU A 91 7.181 10.388 14.563 1.00 0.00 O ATOM 1436 CB GLU A 91 4.016 8.593 14.691 1.00 0.00 C ATOM 1437 CG GLU A 91 4.486 7.591 15.756 1.00 0.00 C ATOM 1438 CD GLU A 91 4.076 8.083 17.151 1.00 0.00 C ATOM 1439 OE1 GLU A 91 3.015 8.675 17.260 1.00 0.00 O ATOM 1440 OE2 GLU A 91 4.825 7.852 18.089 1.00 0.00 O ATOM 0 H GLU A 91 3.555 10.550 13.203 1.00 0.00 H new ATOM 0 HA GLU A 91 4.874 10.259 15.788 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.961 8.823 14.839 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.110 8.150 13.699 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.050 6.611 15.564 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.569 7.474 15.705 1.00 0.00 H new ATOM 1447 N ALA A 92 6.524 8.451 13.752 1.00 0.00 N ATOM 1448 CA ALA A 92 7.903 8.091 13.356 1.00 0.00 C ATOM 1449 C ALA A 92 8.531 9.202 12.520 1.00 0.00 C ATOM 1450 O ALA A 92 9.720 9.202 12.296 1.00 0.00 O ATOM 1451 CB ALA A 92 7.874 6.793 12.538 1.00 0.00 C ATOM 0 H ALA A 92 5.814 7.752 13.534 1.00 0.00 H new ATOM 0 HA ALA A 92 8.501 7.952 14.257 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.889 6.525 12.245 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.447 5.992 13.142 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.265 6.939 11.646 1.00 0.00 H new ATOM 1457 N GLY A 93 7.761 10.128 12.024 1.00 0.00 N ATOM 1458 CA GLY A 93 8.370 11.187 11.174 1.00 0.00 C ATOM 1459 C GLY A 93 8.486 10.599 9.777 1.00 0.00 C ATOM 1460 O GLY A 93 9.256 11.047 8.949 1.00 0.00 O ATOM 0 H GLY A 93 6.753 10.198 12.166 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.751 12.084 11.168 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.349 11.477 11.556 1.00 0.00 H new ATOM 1464 N LYS A 94 7.708 9.575 9.531 1.00 0.00 N ATOM 1465 CA LYS A 94 7.711 8.888 8.207 1.00 0.00 C ATOM 1466 C LYS A 94 6.265 8.768 7.754 1.00 0.00 C ATOM 1467 O LYS A 94 5.357 8.808 8.558 1.00 0.00 O ATOM 1468 CB LYS A 94 8.299 7.477 8.336 1.00 0.00 C ATOM 1469 CG LYS A 94 9.663 7.526 9.015 1.00 0.00 C ATOM 1470 CD LYS A 94 10.346 6.156 8.907 1.00 0.00 C ATOM 1471 CE LYS A 94 11.600 6.154 9.786 1.00 0.00 C ATOM 1472 NZ LYS A 94 11.200 6.306 11.213 1.00 0.00 N ATOM 0 H LYS A 94 7.057 9.179 10.209 1.00 0.00 H new ATOM 0 HA LYS A 94 8.312 9.456 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.622 6.846 8.912 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.394 7.025 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.285 8.290 8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.548 7.804 10.063 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.662 5.368 9.224 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.612 5.949 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.153 5.225 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.264 6.967 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.016 6.103 11.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.875 7.279 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.430 5.641 11.430 1.00 0.00 H new ATOM 1486 N VAL A 95 6.037 8.615 6.482 1.00 0.00 N ATOM 1487 CA VAL A 95 4.643 8.495 5.976 1.00 0.00 C ATOM 1488 C VAL A 95 4.435 7.085 5.450 1.00 0.00 C ATOM 1489 O VAL A 95 5.206 6.616 4.635 1.00 0.00 O ATOM 1490 CB VAL A 95 4.482 9.486 4.821 1.00 0.00 C ATOM 1491 CG1 VAL A 95 3.051 9.428 4.278 1.00 0.00 C ATOM 1492 CG2 VAL A 95 4.793 10.907 5.311 1.00 0.00 C ATOM 0 H VAL A 95 6.761 8.568 5.765 1.00 0.00 H new ATOM 0 HA VAL A 95 3.921 8.703 6.766 1.00 0.00 H new ATOM 0 HB VAL A 95 5.176 9.220 4.024 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.945 10.136 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.839 8.421 3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.350 9.685 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 95 4.677 11.610 4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.106 11.174 6.114 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.817 10.948 5.682 1.00 0.00 H new ATOM 1502 N TYR A 96 3.413 6.393 5.877 1.00 0.00 N ATOM 1503 CA TYR A 96 3.210 5.017 5.338 1.00 0.00 C ATOM 1504 C TYR A 96 1.724 4.707 5.188 1.00 0.00 C ATOM 1505 O TYR A 96 0.882 5.319 5.810 1.00 0.00 O ATOM 1506 CB TYR A 96 3.909 4.005 6.247 1.00 0.00 C ATOM 1507 CG TYR A 96 3.240 3.901 7.590 1.00 0.00 C ATOM 1508 CD1 TYR A 96 3.655 4.724 8.648 1.00 0.00 C ATOM 1509 CD2 TYR A 96 2.241 2.952 7.785 1.00 0.00 C ATOM 1510 CE1 TYR A 96 3.058 4.596 9.903 1.00 0.00 C ATOM 1511 CE2 TYR A 96 1.648 2.816 9.034 1.00 0.00 C ATOM 1512 CZ TYR A 96 2.052 3.637 10.096 1.00 0.00 C ATOM 1513 OH TYR A 96 1.455 3.483 11.327 1.00 0.00 O ATOM 0 H TYR A 96 2.725 6.711 6.559 1.00 0.00 H new ATOM 0 HA TYR A 96 3.652 4.950 4.344 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.912 3.027 5.766 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.950 4.297 6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 96 4.435 5.455 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.927 2.322 6.966 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.368 5.231 10.720 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.875 2.077 9.187 1.00 0.00 H new ATOM 0 HH TYR A 96 0.780 2.774 11.277 1.00 0.00 H new ATOM 1523 N LEU A 97 1.413 3.744 4.343 1.00 0.00 N ATOM 1524 CA LEU A 97 -0.015 3.346 4.108 1.00 0.00 C ATOM 1525 C LEU A 97 -0.141 1.822 4.247 1.00 0.00 C ATOM 1526 O LEU A 97 0.741 1.070 3.859 1.00 0.00 O ATOM 1527 CB LEU A 97 -0.476 3.772 2.689 1.00 0.00 C ATOM 1528 CG LEU A 97 0.723 3.819 1.717 1.00 0.00 C ATOM 1529 CD1 LEU A 97 0.241 3.499 0.295 1.00 0.00 C ATOM 1530 CD2 LEU A 97 1.344 5.223 1.727 1.00 0.00 C ATOM 0 H LEU A 97 2.096 3.214 3.802 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.646 3.845 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.224 3.071 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.952 4.751 2.735 1.00 0.00 H new ATOM 0 HG LEU A 97 1.466 3.087 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.087 3.532 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.203 2.504 0.277 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.504 4.234 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.190 5.252 1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.598 5.953 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.686 5.462 2.734 1.00 0.00 H new ATOM 1542 N LYS A 98 -1.253 1.374 4.780 1.00 0.00 N ATOM 1543 CA LYS A 98 -1.498 -0.088 4.944 1.00 0.00 C ATOM 1544 C LYS A 98 -2.925 -0.372 4.494 1.00 0.00 C ATOM 1545 O LYS A 98 -3.843 0.346 4.831 1.00 0.00 O ATOM 1546 CB LYS A 98 -1.306 -0.481 6.414 1.00 0.00 C ATOM 1547 CG LYS A 98 -2.340 0.221 7.300 1.00 0.00 C ATOM 1548 CD LYS A 98 -1.990 -0.032 8.777 1.00 0.00 C ATOM 1549 CE LYS A 98 -3.227 0.146 9.654 1.00 0.00 C ATOM 1550 NZ LYS A 98 -3.782 1.520 9.482 1.00 0.00 N ATOM 0 H LYS A 98 -2.010 1.971 5.112 1.00 0.00 H new ATOM 0 HA LYS A 98 -0.797 -0.670 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.400 -1.562 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.300 -0.215 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.348 1.291 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.340 -0.154 7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -1.594 -1.040 8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.208 0.657 9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.981 -0.595 9.388 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.969 -0.022 10.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -4.478 1.710 10.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -3.011 2.216 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.244 1.594 8.553 1.00 0.00 H new ATOM 1564 N ALA A 99 -3.126 -1.400 3.716 1.00 0.00 N ATOM 1565 CA ALA A 99 -4.509 -1.691 3.239 1.00 0.00 C ATOM 1566 C ALA A 99 -4.615 -3.168 2.831 1.00 0.00 C ATOM 1567 O ALA A 99 -3.659 -3.732 2.337 1.00 0.00 O ATOM 1568 CB ALA A 99 -4.817 -0.812 2.020 1.00 0.00 C ATOM 0 H ALA A 99 -2.404 -2.044 3.393 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.219 -1.482 4.039 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.827 -1.021 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.740 0.239 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.103 -1.029 1.225 1.00 0.00 H new ATOM 1574 N PRO A 100 -5.763 -3.784 2.987 1.00 0.00 N ATOM 1575 CA PRO A 100 -5.970 -5.198 2.581 1.00 0.00 C ATOM 1576 C PRO A 100 -6.393 -5.296 1.114 1.00 0.00 C ATOM 1577 O PRO A 100 -7.525 -5.010 0.779 1.00 0.00 O ATOM 1578 CB PRO A 100 -7.125 -5.645 3.471 1.00 0.00 C ATOM 1579 CG PRO A 100 -7.973 -4.415 3.568 1.00 0.00 C ATOM 1580 CD PRO A 100 -6.994 -3.226 3.570 1.00 0.00 C ATOM 0 HA PRO A 100 -5.066 -5.799 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -7.673 -6.479 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -6.776 -5.973 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.664 -4.350 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.575 -4.427 4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -7.375 -2.393 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.824 -2.849 4.579 1.00 0.00 H new ATOM 1588 N MET A 101 -5.511 -5.683 0.238 1.00 0.00 N ATOM 1589 CA MET A 101 -5.897 -5.785 -1.210 1.00 0.00 C ATOM 1590 C MET A 101 -6.233 -7.232 -1.581 1.00 0.00 C ATOM 1591 O MET A 101 -5.450 -8.130 -1.354 1.00 0.00 O ATOM 1592 CB MET A 101 -4.732 -5.302 -2.069 1.00 0.00 C ATOM 1593 CG MET A 101 -5.163 -5.252 -3.544 1.00 0.00 C ATOM 1594 SD MET A 101 -6.353 -3.911 -3.814 1.00 0.00 S ATOM 1595 CE MET A 101 -5.180 -2.531 -3.883 1.00 0.00 C ATOM 0 H MET A 101 -4.545 -5.933 0.451 1.00 0.00 H new ATOM 0 HA MET A 101 -6.778 -5.168 -1.385 1.00 0.00 H new ATOM 0 HB2 MET A 101 -4.410 -4.314 -1.740 1.00 0.00 H new ATOM 0 HB3 MET A 101 -3.879 -5.970 -1.952 1.00 0.00 H new ATOM 0 HG2 MET A 101 -4.290 -5.104 -4.179 1.00 0.00 H new ATOM 0 HG3 MET A 101 -5.608 -6.204 -3.831 1.00 0.00 H new ATOM 0 HE1 MET A 101 -5.421 -1.809 -3.103 1.00 0.00 H new ATOM 0 HE2 MET A 101 -4.168 -2.906 -3.730 1.00 0.00 H new ATOM 0 HE3 MET A 101 -5.245 -2.047 -4.858 1.00 0.00 H new ATOM 1605 N ILE A 102 -7.386 -7.465 -2.187 1.00 0.00 N ATOM 1606 CA ILE A 102 -7.747 -8.858 -2.606 1.00 0.00 C ATOM 1607 C ILE A 102 -7.345 -9.107 -4.055 1.00 0.00 C ATOM 1608 O ILE A 102 -7.667 -8.362 -4.961 1.00 0.00 O ATOM 1609 CB ILE A 102 -9.260 -9.145 -2.417 1.00 0.00 C ATOM 1610 CG1 ILE A 102 -10.086 -7.892 -2.724 1.00 0.00 C ATOM 1611 CG2 ILE A 102 -9.539 -9.599 -0.983 1.00 0.00 C ATOM 1612 CD1 ILE A 102 -11.572 -8.155 -2.451 1.00 0.00 C ATOM 0 H ILE A 102 -8.083 -6.753 -2.405 1.00 0.00 H new ATOM 0 HA ILE A 102 -7.194 -9.541 -1.961 1.00 0.00 H new ATOM 0 HB ILE A 102 -9.545 -9.938 -3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.738 -7.060 -2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -9.946 -7.602 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -10.604 -9.797 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.976 -10.508 -0.773 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -9.236 -8.816 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -12.147 -7.256 -2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -11.919 -8.973 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -11.708 -8.423 -1.403 1.00 0.00 H new ATOM 1624 N LEU A 103 -6.659 -10.194 -4.262 1.00 0.00 N ATOM 1625 CA LEU A 103 -6.216 -10.601 -5.622 1.00 0.00 C ATOM 1626 C LEU A 103 -7.066 -11.805 -6.031 1.00 0.00 C ATOM 1627 O LEU A 103 -7.945 -12.207 -5.300 1.00 0.00 O ATOM 1628 CB LEU A 103 -4.730 -10.985 -5.587 1.00 0.00 C ATOM 1629 CG LEU A 103 -3.852 -9.724 -5.610 1.00 0.00 C ATOM 1630 CD1 LEU A 103 -3.907 -9.018 -4.254 1.00 0.00 C ATOM 1631 CD2 LEU A 103 -2.397 -10.106 -5.908 1.00 0.00 C ATOM 0 H LEU A 103 -6.379 -10.837 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.338 -9.787 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.519 -11.567 -4.690 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.491 -11.618 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.227 -9.057 -6.386 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.281 -8.126 -4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.936 -8.733 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.543 -9.692 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.781 -9.207 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.033 -10.783 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.342 -10.600 -6.878 1.00 0.00 H new ATOM 1643 N ASN A 104 -6.850 -12.372 -7.190 1.00 0.00 N ATOM 1644 CA ASN A 104 -7.699 -13.537 -7.597 1.00 0.00 C ATOM 1645 C ASN A 104 -7.447 -14.709 -6.630 1.00 0.00 C ATOM 1646 O ASN A 104 -6.960 -15.755 -7.012 1.00 0.00 O ATOM 1647 CB ASN A 104 -7.336 -13.963 -9.032 1.00 0.00 C ATOM 1648 CG ASN A 104 -8.357 -14.980 -9.552 1.00 0.00 C ATOM 1649 OD1 ASN A 104 -8.161 -16.175 -9.428 1.00 0.00 O ATOM 1650 ND2 ASN A 104 -9.442 -14.555 -10.138 1.00 0.00 N ATOM 0 H ASN A 104 -6.138 -12.088 -7.862 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.751 -13.254 -7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.315 -13.090 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.337 -14.398 -9.049 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.126 -15.224 -10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -9.607 -13.554 -10.242 1.00 0.00 H new ATOM 1657 N GLY A 105 -7.780 -14.528 -5.375 1.00 0.00 N ATOM 1658 CA GLY A 105 -7.569 -15.601 -4.358 1.00 0.00 C ATOM 1659 C GLY A 105 -8.153 -15.141 -3.023 1.00 0.00 C ATOM 1660 O GLY A 105 -9.287 -15.427 -2.701 1.00 0.00 O ATOM 0 H GLY A 105 -8.194 -13.671 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -8.048 -16.525 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.505 -15.814 -4.250 1.00 0.00 H new ATOM 1664 N VAL A 106 -7.375 -14.420 -2.250 1.00 0.00 N ATOM 1665 CA VAL A 106 -7.866 -13.908 -0.928 1.00 0.00 C ATOM 1666 C VAL A 106 -7.123 -12.604 -0.589 1.00 0.00 C ATOM 1667 O VAL A 106 -6.316 -12.119 -1.359 1.00 0.00 O ATOM 1668 CB VAL A 106 -7.673 -14.960 0.204 1.00 0.00 C ATOM 1669 CG1 VAL A 106 -8.988 -15.101 0.994 1.00 0.00 C ATOM 1670 CG2 VAL A 106 -7.317 -16.328 -0.398 1.00 0.00 C ATOM 0 H VAL A 106 -6.415 -14.162 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.936 -13.714 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 106 -6.867 -14.629 0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -8.858 -15.837 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.255 -14.139 1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.782 -15.428 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -7.185 -17.055 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.121 -16.656 -1.056 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -6.392 -16.245 -0.969 1.00 0.00 H new ATOM 1680 N CYS A 107 -7.409 -12.019 0.543 1.00 0.00 N ATOM 1681 CA CYS A 107 -6.744 -10.736 0.911 1.00 0.00 C ATOM 1682 C CYS A 107 -5.315 -10.954 1.369 1.00 0.00 C ATOM 1683 O CYS A 107 -4.971 -11.922 2.012 1.00 0.00 O ATOM 1684 CB CYS A 107 -7.533 -10.037 2.023 1.00 0.00 C ATOM 1685 SG CYS A 107 -7.975 -11.230 3.288 1.00 0.00 S ATOM 0 H CYS A 107 -8.075 -12.374 1.229 1.00 0.00 H new ATOM 0 HA CYS A 107 -6.723 -10.110 0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.936 -9.235 2.458 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.432 -9.578 1.612 1.00 0.00 H new ATOM 0 HG CYS A 107 -9.235 -11.104 3.582 1.00 0.00 H new ATOM 1691 N VAL A 108 -4.494 -10.006 1.058 1.00 0.00 N ATOM 1692 CA VAL A 108 -3.079 -10.041 1.465 1.00 0.00 C ATOM 1693 C VAL A 108 -2.826 -8.678 2.105 1.00 0.00 C ATOM 1694 O VAL A 108 -3.487 -7.720 1.762 1.00 0.00 O ATOM 1695 CB VAL A 108 -2.208 -10.290 0.221 1.00 0.00 C ATOM 1696 CG1 VAL A 108 -2.310 -9.124 -0.751 1.00 0.00 C ATOM 1697 CG2 VAL A 108 -0.752 -10.498 0.639 1.00 0.00 C ATOM 0 H VAL A 108 -4.756 -9.180 0.520 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.837 -10.838 2.168 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.570 -11.188 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.686 -9.321 -1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.346 -9.003 -1.066 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.970 -8.211 -0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.141 -10.674 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.392 -9.610 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.684 -11.359 1.304 1.00 0.00 H new ATOM 1707 N ILE A 109 -1.951 -8.572 3.077 1.00 0.00 N ATOM 1708 CA ILE A 109 -1.775 -7.242 3.751 1.00 0.00 C ATOM 1709 C ILE A 109 -0.571 -6.481 3.186 1.00 0.00 C ATOM 1710 O ILE A 109 0.567 -6.840 3.393 1.00 0.00 O ATOM 1711 CB ILE A 109 -1.612 -7.449 5.276 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -1.926 -6.135 6.001 1.00 0.00 C ATOM 1713 CG2 ILE A 109 -0.185 -7.901 5.635 1.00 0.00 C ATOM 1714 CD1 ILE A 109 -1.874 -6.373 7.508 1.00 0.00 C ATOM 0 H ILE A 109 -1.363 -9.328 3.428 1.00 0.00 H new ATOM 0 HA ILE A 109 -2.664 -6.641 3.558 1.00 0.00 H new ATOM 0 HB ILE A 109 -2.304 -8.231 5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -1.207 -5.367 5.716 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -2.912 -5.772 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -0.107 -8.037 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 109 0.035 -8.844 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 109 0.529 -7.143 5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -2.096 -5.443 8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -2.610 -7.129 7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -0.878 -6.718 7.788 1.00 0.00 H new ATOM 1726 N TRP A 110 -0.822 -5.399 2.491 1.00 0.00 N ATOM 1727 CA TRP A 110 0.295 -4.580 1.938 1.00 0.00 C ATOM 1728 C TRP A 110 0.485 -3.368 2.846 1.00 0.00 C ATOM 1729 O TRP A 110 -0.448 -2.630 3.103 1.00 0.00 O ATOM 1730 CB TRP A 110 -0.062 -4.106 0.516 1.00 0.00 C ATOM 1731 CG TRP A 110 1.153 -3.549 -0.151 1.00 0.00 C ATOM 1732 CD1 TRP A 110 1.946 -4.241 -0.997 1.00 0.00 C ATOM 1733 CD2 TRP A 110 1.731 -2.218 -0.049 1.00 0.00 C ATOM 1734 NE1 TRP A 110 2.965 -3.421 -1.431 1.00 0.00 N ATOM 1735 CE2 TRP A 110 2.884 -2.164 -0.869 1.00 0.00 C ATOM 1736 CE3 TRP A 110 1.375 -1.062 0.664 1.00 0.00 C ATOM 1737 CZ2 TRP A 110 3.655 -1.008 -0.976 1.00 0.00 C ATOM 1738 CZ3 TRP A 110 2.152 0.106 0.561 1.00 0.00 C ATOM 1739 CH2 TRP A 110 3.290 0.132 -0.253 1.00 0.00 C ATOM 0 H TRP A 110 -1.757 -5.048 2.283 1.00 0.00 H new ATOM 0 HA TRP A 110 1.210 -5.171 1.892 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.458 -4.938 -0.066 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.844 -3.348 0.561 1.00 0.00 H new ATOM 0 HD1 TRP A 110 1.804 -5.272 -1.287 1.00 0.00 H new ATOM 0 HE1 TRP A 110 3.691 -3.709 -2.088 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.499 -1.070 1.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 4.528 -0.993 -1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 1.868 0.989 1.114 1.00 0.00 H new ATOM 0 HH2 TRP A 110 3.885 1.031 -0.323 1.00 0.00 H new ATOM 1750 N LYS A 111 1.686 -3.139 3.324 1.00 0.00 N ATOM 1751 CA LYS A 111 1.930 -1.947 4.197 1.00 0.00 C ATOM 1752 C LYS A 111 3.355 -1.450 4.032 1.00 0.00 C ATOM 1753 O LYS A 111 4.219 -1.649 4.859 1.00 0.00 O ATOM 1754 CB LYS A 111 1.631 -2.265 5.660 1.00 0.00 C ATOM 1755 CG LYS A 111 2.360 -3.522 6.109 1.00 0.00 C ATOM 1756 CD LYS A 111 1.857 -3.900 7.508 1.00 0.00 C ATOM 1757 CE LYS A 111 2.752 -4.993 8.106 1.00 0.00 C ATOM 1758 NZ LYS A 111 2.726 -6.207 7.235 1.00 0.00 N ATOM 0 H LYS A 111 2.504 -3.723 3.148 1.00 0.00 H new ATOM 0 HA LYS A 111 1.251 -1.154 3.885 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.930 -1.424 6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.557 -2.396 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.178 -4.337 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 111 3.436 -3.350 6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 111 1.859 -3.022 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 111 0.827 -4.252 7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 111 3.774 -4.626 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 111 2.409 -5.247 9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 3.132 -7.013 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 1.744 -6.424 6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.285 -6.030 6.376 1.00 0.00 H new ATOM 1772 N GLY A 112 3.586 -0.767 2.964 1.00 0.00 N ATOM 1773 CA GLY A 112 4.923 -0.202 2.709 1.00 0.00 C ATOM 1774 C GLY A 112 5.095 1.080 3.515 1.00 0.00 C ATOM 1775 O GLY A 112 4.130 1.739 3.853 1.00 0.00 O ATOM 0 H GLY A 112 2.892 -0.572 2.242 1.00 0.00 H new ATOM 0 HA2 GLY A 112 5.693 -0.923 2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.045 0.005 1.646 1.00 0.00 H new ATOM 1779 N TRP A 113 6.315 1.462 3.798 1.00 0.00 N ATOM 1780 CA TRP A 113 6.557 2.730 4.543 1.00 0.00 C ATOM 1781 C TRP A 113 7.755 3.447 3.918 1.00 0.00 C ATOM 1782 O TRP A 113 8.573 2.854 3.241 1.00 0.00 O ATOM 1783 CB TRP A 113 6.810 2.450 6.037 1.00 0.00 C ATOM 1784 CG TRP A 113 7.771 1.321 6.204 1.00 0.00 C ATOM 1785 CD1 TRP A 113 7.402 0.050 6.481 1.00 0.00 C ATOM 1786 CD2 TRP A 113 9.231 1.327 6.134 1.00 0.00 C ATOM 1787 NE1 TRP A 113 8.538 -0.731 6.595 1.00 0.00 N ATOM 1788 CE2 TRP A 113 9.690 0.013 6.394 1.00 0.00 C ATOM 1789 CE3 TRP A 113 10.194 2.333 5.879 1.00 0.00 C ATOM 1790 CZ2 TRP A 113 11.055 -0.290 6.404 1.00 0.00 C ATOM 1791 CZ3 TRP A 113 11.568 2.021 5.885 1.00 0.00 C ATOM 1792 CH2 TRP A 113 11.995 0.713 6.153 1.00 0.00 C ATOM 0 H TRP A 113 7.157 0.946 3.543 1.00 0.00 H new ATOM 0 HA TRP A 113 5.673 3.365 4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 113 7.204 3.345 6.519 1.00 0.00 H new ATOM 0 HB3 TRP A 113 5.869 2.210 6.532 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.386 -0.299 6.595 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.529 -1.730 6.801 1.00 0.00 H new ATOM 0 HE3 TRP A 113 9.874 3.345 5.679 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 11.383 -1.299 6.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 12.295 2.793 5.682 1.00 0.00 H new ATOM 0 HH2 TRP A 113 13.050 0.481 6.165 1.00 0.00 H new ATOM 1803 N ILE A 114 7.847 4.728 4.129 1.00 0.00 N ATOM 1804 CA ILE A 114 8.965 5.520 3.549 1.00 0.00 C ATOM 1805 C ILE A 114 9.145 6.763 4.401 1.00 0.00 C ATOM 1806 O ILE A 114 8.204 7.266 4.989 1.00 0.00 O ATOM 1807 CB ILE A 114 8.622 5.935 2.107 1.00 0.00 C ATOM 1808 CG1 ILE A 114 7.229 6.573 2.082 1.00 0.00 C ATOM 1809 CG2 ILE A 114 8.657 4.709 1.187 1.00 0.00 C ATOM 1810 CD1 ILE A 114 6.774 6.787 0.634 1.00 0.00 C ATOM 0 H ILE A 114 7.185 5.268 4.687 1.00 0.00 H new ATOM 0 HA ILE A 114 9.879 4.926 3.534 1.00 0.00 H new ATOM 0 HB ILE A 114 9.357 6.658 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 114 6.518 5.933 2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.247 7.526 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.413 5.011 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.654 4.268 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 114 7.929 3.975 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.783 7.241 0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 114 7.478 7.445 0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.737 5.827 0.119 1.00 0.00 H new ATOM 1822 N ASP A 115 10.340 7.260 4.487 1.00 0.00 N ATOM 1823 CA ASP A 115 10.576 8.467 5.316 1.00 0.00 C ATOM 1824 C ASP A 115 10.136 9.702 4.545 1.00 0.00 C ATOM 1825 O ASP A 115 9.963 9.684 3.341 1.00 0.00 O ATOM 1826 CB ASP A 115 12.059 8.562 5.668 1.00 0.00 C ATOM 1827 CG ASP A 115 12.261 9.436 6.917 1.00 0.00 C ATOM 1828 OD1 ASP A 115 11.503 10.377 7.093 1.00 0.00 O ATOM 1829 OD2 ASP A 115 13.171 9.146 7.675 1.00 0.00 O ATOM 0 H ASP A 115 11.165 6.883 4.019 1.00 0.00 H new ATOM 0 HA ASP A 115 9.999 8.400 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.461 7.565 5.846 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.612 8.984 4.829 1.00 0.00 H new ATOM 1834 N LEU A 116 9.940 10.764 5.245 1.00 0.00 N ATOM 1835 CA LEU A 116 9.486 12.009 4.597 1.00 0.00 C ATOM 1836 C LEU A 116 10.514 12.476 3.556 1.00 0.00 C ATOM 1837 O LEU A 116 10.167 13.175 2.630 1.00 0.00 O ATOM 1838 CB LEU A 116 9.308 13.087 5.676 1.00 0.00 C ATOM 1839 CG LEU A 116 8.321 14.185 5.204 1.00 0.00 C ATOM 1840 CD1 LEU A 116 7.932 15.053 6.412 1.00 0.00 C ATOM 1841 CD2 LEU A 116 8.955 15.076 4.105 1.00 0.00 C ATOM 0 H LEU A 116 10.076 10.827 6.254 1.00 0.00 H new ATOM 0 HA LEU A 116 8.539 11.831 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.938 12.631 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 116 10.273 13.536 5.910 1.00 0.00 H new ATOM 0 HG LEU A 116 7.439 13.706 4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.237 15.830 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.457 14.430 7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.826 15.515 6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.238 15.836 3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.849 15.559 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.224 14.460 3.247 1.00 0.00 H new ATOM 1853 N HIS A 117 11.780 12.133 3.702 1.00 0.00 N ATOM 1854 CA HIS A 117 12.804 12.623 2.712 1.00 0.00 C ATOM 1855 C HIS A 117 13.170 11.555 1.657 1.00 0.00 C ATOM 1856 O HIS A 117 13.162 11.837 0.473 1.00 0.00 O ATOM 1857 CB HIS A 117 14.069 13.073 3.469 1.00 0.00 C ATOM 1858 CG HIS A 117 14.289 12.218 4.684 1.00 0.00 C ATOM 1859 ND1 HIS A 117 14.124 12.709 5.968 1.00 0.00 N ATOM 1860 CD2 HIS A 117 14.675 10.914 4.829 1.00 0.00 C ATOM 1861 CE1 HIS A 117 14.411 11.713 6.823 1.00 0.00 C ATOM 1862 NE2 HIS A 117 14.754 10.594 6.181 1.00 0.00 N ATOM 0 H HIS A 117 12.144 11.544 4.452 1.00 0.00 H new ATOM 0 HA HIS A 117 12.366 13.463 2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 117 14.935 13.009 2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 117 13.970 14.117 3.765 1.00 0.00 H new ATOM 0 HD1 HIS A 117 13.837 13.655 6.219 1.00 0.00 H new ATOM 0 HD2 HIS A 117 14.887 10.235 4.016 1.00 0.00 H new ATOM 0 HE1 HIS A 117 14.369 11.806 7.898 1.00 0.00 H new ATOM 1870 N ARG A 118 13.516 10.347 2.051 1.00 0.00 N ATOM 1871 CA ARG A 118 13.905 9.311 1.027 1.00 0.00 C ATOM 1872 C ARG A 118 12.738 8.383 0.685 1.00 0.00 C ATOM 1873 O ARG A 118 12.222 7.656 1.506 1.00 0.00 O ATOM 1874 CB ARG A 118 15.109 8.484 1.525 1.00 0.00 C ATOM 1875 CG ARG A 118 14.730 7.563 2.693 1.00 0.00 C ATOM 1876 CD ARG A 118 16.018 6.970 3.276 1.00 0.00 C ATOM 1877 NE ARG A 118 15.699 6.044 4.408 1.00 0.00 N ATOM 1878 CZ ARG A 118 15.051 6.448 5.460 1.00 0.00 C ATOM 1879 NH1 ARG A 118 14.811 7.710 5.644 1.00 0.00 N ATOM 1880 NH2 ARG A 118 14.666 5.585 6.352 1.00 0.00 N ATOM 0 H ARG A 118 13.547 10.035 3.022 1.00 0.00 H new ATOM 0 HA ARG A 118 14.186 9.843 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 118 15.502 7.885 0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 118 15.907 9.157 1.838 1.00 0.00 H new ATOM 0 HG2 ARG A 118 14.189 8.122 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 118 14.067 6.768 2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.562 6.432 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.669 7.771 3.625 1.00 0.00 H new ATOM 0 HE ARG A 118 15.998 5.070 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 118 15.132 8.395 4.960 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.302 8.017 6.473 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.872 4.594 6.225 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.157 5.898 7.179 1.00 0.00 H new ATOM 1894 N LEU A 119 12.346 8.410 -0.548 1.00 0.00 N ATOM 1895 CA LEU A 119 11.239 7.544 -1.038 1.00 0.00 C ATOM 1896 C LEU A 119 11.806 6.169 -1.450 1.00 0.00 C ATOM 1897 O LEU A 119 11.464 5.649 -2.487 1.00 0.00 O ATOM 1898 CB LEU A 119 10.606 8.215 -2.266 1.00 0.00 C ATOM 1899 CG LEU A 119 9.561 9.244 -1.822 1.00 0.00 C ATOM 1900 CD1 LEU A 119 10.228 10.313 -0.953 1.00 0.00 C ATOM 1901 CD2 LEU A 119 8.919 9.901 -3.056 1.00 0.00 C ATOM 0 H LEU A 119 12.756 9.013 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 119 10.495 7.408 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 119 11.377 8.702 -2.862 1.00 0.00 H new ATOM 0 HB3 LEU A 119 10.140 7.462 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 119 8.786 8.742 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.483 11.044 -0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 119 10.670 9.844 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 119 11.008 10.814 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 119 8.177 10.632 -2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 119 9.689 10.400 -3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 119 8.436 9.137 -3.665 1.00 0.00 H new ATOM 1913 N ASP A 120 12.684 5.588 -0.669 1.00 0.00 N ATOM 1914 CA ASP A 120 13.272 4.252 -1.037 1.00 0.00 C ATOM 1915 C ASP A 120 13.176 3.334 0.173 1.00 0.00 C ATOM 1916 O ASP A 120 14.069 2.564 0.459 1.00 0.00 O ATOM 1917 CB ASP A 120 14.743 4.421 -1.434 1.00 0.00 C ATOM 1918 CG ASP A 120 15.542 4.989 -0.261 1.00 0.00 C ATOM 1919 OD1 ASP A 120 14.934 5.294 0.750 1.00 0.00 O ATOM 1920 OD2 ASP A 120 16.749 5.105 -0.393 1.00 0.00 O ATOM 0 H ASP A 120 13.022 5.979 0.210 1.00 0.00 H new ATOM 0 HA ASP A 120 12.726 3.826 -1.879 1.00 0.00 H new ATOM 0 HB2 ASP A 120 15.159 3.460 -1.736 1.00 0.00 H new ATOM 0 HB3 ASP A 120 14.822 5.086 -2.294 1.00 0.00 H new ATOM 1925 N GLY A 121 12.106 3.442 0.899 1.00 0.00 N ATOM 1926 CA GLY A 121 11.934 2.617 2.127 1.00 0.00 C ATOM 1927 C GLY A 121 11.873 1.128 1.802 1.00 0.00 C ATOM 1928 O GLY A 121 12.438 0.648 0.836 1.00 0.00 O ATOM 0 H GLY A 121 11.331 4.073 0.695 1.00 0.00 H new ATOM 0 HA2 GLY A 121 12.761 2.807 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 121 11.020 2.915 2.641 1.00 0.00 H new ATOM 1932 N MET A 122 11.178 0.398 2.626 1.00 0.00 N ATOM 1933 CA MET A 122 11.035 -1.064 2.430 1.00 0.00 C ATOM 1934 C MET A 122 9.595 -1.436 2.766 1.00 0.00 C ATOM 1935 O MET A 122 8.910 -0.714 3.460 1.00 0.00 O ATOM 1936 CB MET A 122 12.016 -1.798 3.345 1.00 0.00 C ATOM 1937 CG MET A 122 12.047 -3.276 2.972 1.00 0.00 C ATOM 1938 SD MET A 122 13.054 -4.182 4.166 1.00 0.00 S ATOM 1939 CE MET A 122 14.670 -3.540 3.670 1.00 0.00 C ATOM 0 H MET A 122 10.693 0.765 3.445 1.00 0.00 H new ATOM 0 HA MET A 122 11.258 -1.348 1.402 1.00 0.00 H new ATOM 0 HB2 MET A 122 13.012 -1.366 3.249 1.00 0.00 H new ATOM 0 HB3 MET A 122 11.717 -1.681 4.386 1.00 0.00 H new ATOM 0 HG2 MET A 122 11.034 -3.679 2.956 1.00 0.00 H new ATOM 0 HG3 MET A 122 12.455 -3.400 1.969 1.00 0.00 H new ATOM 0 HE1 MET A 122 15.452 -4.212 4.023 1.00 0.00 H new ATOM 0 HE2 MET A 122 14.715 -3.469 2.583 1.00 0.00 H new ATOM 0 HE3 MET A 122 14.818 -2.551 4.105 1.00 0.00 H new ATOM 1949 N GLY A 123 9.115 -2.533 2.269 1.00 0.00 N ATOM 1950 CA GLY A 123 7.703 -2.907 2.553 1.00 0.00 C ATOM 1951 C GLY A 123 7.515 -4.410 2.382 1.00 0.00 C ATOM 1952 O GLY A 123 7.647 -4.954 1.301 1.00 0.00 O ATOM 0 H GLY A 123 9.632 -3.186 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.438 -2.613 3.568 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.034 -2.370 1.880 1.00 0.00 H new ATOM 1956 N CYS A 124 7.212 -5.079 3.454 1.00 0.00 N ATOM 1957 CA CYS A 124 6.995 -6.550 3.401 1.00 0.00 C ATOM 1958 C CYS A 124 5.538 -6.841 3.049 1.00 0.00 C ATOM 1959 O CYS A 124 4.630 -6.197 3.534 1.00 0.00 O ATOM 1960 CB CYS A 124 7.328 -7.155 4.766 1.00 0.00 C ATOM 1961 SG CYS A 124 7.414 -8.964 4.656 1.00 0.00 S ATOM 0 H CYS A 124 7.103 -4.664 4.380 1.00 0.00 H new ATOM 0 HA CYS A 124 7.640 -6.989 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 124 8.280 -6.761 5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 124 6.570 -6.865 5.494 1.00 0.00 H new ATOM 0 HG CYS A 124 6.735 -9.491 5.632 1.00 0.00 H new ATOM 1967 N LEU A 125 5.316 -7.828 2.229 1.00 0.00 N ATOM 1968 CA LEU A 125 3.910 -8.217 1.857 1.00 0.00 C ATOM 1969 C LEU A 125 3.721 -9.673 2.285 1.00 0.00 C ATOM 1970 O LEU A 125 4.586 -10.499 2.084 1.00 0.00 O ATOM 1971 CB LEU A 125 3.701 -8.043 0.343 1.00 0.00 C ATOM 1972 CG LEU A 125 2.357 -8.646 -0.119 1.00 0.00 C ATOM 1973 CD1 LEU A 125 1.196 -7.848 0.476 1.00 0.00 C ATOM 1974 CD2 LEU A 125 2.273 -8.591 -1.653 1.00 0.00 C ATOM 0 H LEU A 125 6.046 -8.391 1.793 1.00 0.00 H new ATOM 0 HA LEU A 125 3.175 -7.585 2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.731 -6.983 0.091 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.519 -8.522 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 125 2.295 -9.681 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.251 -8.279 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.250 -7.883 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.258 -6.812 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.325 -9.016 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.340 -7.555 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.095 -9.163 -2.083 1.00 0.00 H new ATOM 1986 N GLU A 126 2.613 -9.981 2.904 1.00 0.00 N ATOM 1987 CA GLU A 126 2.379 -11.385 3.382 1.00 0.00 C ATOM 1988 C GLU A 126 0.885 -11.747 3.386 1.00 0.00 C ATOM 1989 O GLU A 126 0.050 -11.001 3.869 1.00 0.00 O ATOM 1990 CB GLU A 126 2.873 -11.509 4.821 1.00 0.00 C ATOM 1991 CG GLU A 126 4.362 -11.189 4.894 1.00 0.00 C ATOM 1992 CD GLU A 126 4.884 -11.560 6.284 1.00 0.00 C ATOM 1993 OE1 GLU A 126 4.107 -12.092 7.063 1.00 0.00 O ATOM 1994 OE2 GLU A 126 6.048 -11.313 6.546 1.00 0.00 O ATOM 0 H GLU A 126 1.857 -9.325 3.102 1.00 0.00 H new ATOM 0 HA GLU A 126 2.911 -12.053 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 126 2.315 -10.829 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 126 2.692 -12.518 5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 126 4.904 -11.743 4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 126 4.529 -10.130 4.699 1.00 0.00 H new ATOM 2001 N PHE A 127 0.572 -12.928 2.915 1.00 0.00 N ATOM 2002 CA PHE A 127 -0.840 -13.437 2.937 1.00 0.00 C ATOM 2003 C PHE A 127 -1.153 -13.904 4.370 1.00 0.00 C ATOM 2004 O PHE A 127 -0.922 -15.048 4.716 1.00 0.00 O ATOM 2005 CB PHE A 127 -0.946 -14.631 1.944 1.00 0.00 C ATOM 2006 CG PHE A 127 -1.779 -14.277 0.728 1.00 0.00 C ATOM 2007 CD1 PHE A 127 -1.185 -13.644 -0.377 1.00 0.00 C ATOM 2008 CD2 PHE A 127 -3.136 -14.617 0.691 1.00 0.00 C ATOM 2009 CE1 PHE A 127 -1.945 -13.353 -1.510 1.00 0.00 C ATOM 2010 CE2 PHE A 127 -3.897 -14.318 -0.443 1.00 0.00 C ATOM 2011 CZ PHE A 127 -3.302 -13.688 -1.544 1.00 0.00 C ATOM 0 H PHE A 127 1.247 -13.575 2.508 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.548 -12.663 2.642 1.00 0.00 H new ATOM 0 HB2 PHE A 127 0.053 -14.930 1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.389 -15.488 2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -0.138 -13.382 -0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.594 -15.109 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.486 -12.870 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.946 -14.573 -0.470 1.00 0.00 H new ATOM 0 HZ PHE A 127 -3.892 -13.461 -2.420 1.00 0.00 H new ATOM 2021 N ASP A 128 -1.661 -13.044 5.212 1.00 0.00 N ATOM 2022 CA ASP A 128 -1.959 -13.481 6.618 1.00 0.00 C ATOM 2023 C ASP A 128 -3.198 -12.763 7.160 1.00 0.00 C ATOM 2024 O ASP A 128 -3.437 -12.710 8.351 1.00 0.00 O ATOM 2025 CB ASP A 128 -0.753 -13.183 7.505 1.00 0.00 C ATOM 2026 CG ASP A 128 -0.978 -13.799 8.890 1.00 0.00 C ATOM 2027 OD1 ASP A 128 -2.008 -14.427 9.083 1.00 0.00 O ATOM 2028 OD2 ASP A 128 -0.119 -13.628 9.740 1.00 0.00 O ATOM 0 H ASP A 128 -1.882 -12.072 4.997 1.00 0.00 H new ATOM 0 HA ASP A 128 -2.160 -14.552 6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 128 0.153 -13.591 7.056 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -0.609 -12.106 7.592 1.00 0.00 H new ATOM 2033 N GLU A 129 -3.980 -12.215 6.297 1.00 0.00 N ATOM 2034 CA GLU A 129 -5.209 -11.499 6.740 1.00 0.00 C ATOM 2035 C GLU A 129 -6.257 -12.458 7.353 1.00 0.00 C ATOM 2036 O GLU A 129 -6.782 -13.371 6.712 1.00 0.00 O ATOM 2037 CB GLU A 129 -5.777 -10.776 5.530 1.00 0.00 C ATOM 2038 CG GLU A 129 -4.919 -9.551 5.190 1.00 0.00 C ATOM 2039 CD GLU A 129 -5.078 -8.472 6.273 1.00 0.00 C ATOM 2040 OE1 GLU A 129 -4.349 -8.521 7.250 1.00 0.00 O ATOM 2041 OE2 GLU A 129 -5.926 -7.613 6.099 1.00 0.00 O ATOM 0 H GLU A 129 -3.828 -12.227 5.288 1.00 0.00 H new ATOM 0 HA GLU A 129 -4.953 -10.792 7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -5.811 -11.453 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -6.802 -10.466 5.732 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -3.872 -9.843 5.109 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -5.214 -9.149 4.221 1.00 0.00 H new ATOM 2048 N GLU A 130 -6.599 -12.226 8.594 1.00 0.00 N ATOM 2049 CA GLU A 130 -7.623 -13.078 9.251 1.00 0.00 C ATOM 2050 C GLU A 130 -8.936 -12.916 8.493 1.00 0.00 C ATOM 2051 O GLU A 130 -9.748 -13.817 8.411 1.00 0.00 O ATOM 2052 CB GLU A 130 -7.783 -12.663 10.714 1.00 0.00 C ATOM 2053 CG GLU A 130 -8.481 -11.302 10.797 1.00 0.00 C ATOM 2054 CD GLU A 130 -8.398 -10.775 12.229 1.00 0.00 C ATOM 2055 OE1 GLU A 130 -8.987 -11.395 13.098 1.00 0.00 O ATOM 2056 OE2 GLU A 130 -7.754 -9.760 12.433 1.00 0.00 O ATOM 0 H GLU A 130 -6.212 -11.484 9.176 1.00 0.00 H new ATOM 0 HA GLU A 130 -7.319 -14.125 9.232 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.363 -13.412 11.252 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.806 -12.610 11.195 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.011 -10.598 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.523 -11.396 10.492 1.00 0.00 H new ATOM 2063 N ARG A 131 -9.143 -11.783 7.901 1.00 0.00 N ATOM 2064 CA ARG A 131 -10.382 -11.618 7.119 1.00 0.00 C ATOM 2065 C ARG A 131 -10.259 -12.510 5.893 1.00 0.00 C ATOM 2066 O ARG A 131 -11.227 -12.836 5.244 1.00 0.00 O ATOM 2067 CB ARG A 131 -10.617 -10.151 6.739 1.00 0.00 C ATOM 2068 CG ARG A 131 -9.344 -9.504 6.205 1.00 0.00 C ATOM 2069 CD ARG A 131 -9.565 -7.996 6.098 1.00 0.00 C ATOM 2070 NE ARG A 131 -9.582 -7.418 7.465 1.00 0.00 N ATOM 2071 CZ ARG A 131 -9.488 -6.137 7.628 1.00 0.00 C ATOM 2072 NH1 ARG A 131 -9.366 -5.355 6.591 1.00 0.00 N ATOM 2073 NH2 ARG A 131 -9.496 -5.641 8.829 1.00 0.00 N ATOM 0 H ARG A 131 -8.518 -10.977 7.924 1.00 0.00 H new ATOM 0 HA ARG A 131 -11.250 -11.910 7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 131 -11.402 -10.090 5.985 1.00 0.00 H new ATOM 0 HB3 ARG A 131 -10.969 -9.600 7.611 1.00 0.00 H new ATOM 0 HG2 ARG A 131 -8.506 -9.716 6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 131 -9.091 -9.918 5.229 1.00 0.00 H new ATOM 0 HD2 ARG A 131 -8.773 -7.539 5.505 1.00 0.00 H new ATOM 0 HD3 ARG A 131 -10.506 -7.787 5.588 1.00 0.00 H new ATOM 0 HE ARG A 131 -9.668 -8.030 8.276 1.00 0.00 H new ATOM 0 HH11 ARG A 131 -9.345 -5.753 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 131 -9.292 -4.346 6.719 1.00 0.00 H new ATOM 0 HH21 ARG A 131 -9.576 -6.260 9.636 1.00 0.00 H new ATOM 0 HH22 ARG A 131 -9.422 -4.633 8.965 1.00 0.00 H new ATOM 2087 N ALA A 132 -9.068 -12.946 5.592 1.00 0.00 N ATOM 2088 CA ALA A 132 -8.900 -13.849 4.431 1.00 0.00 C ATOM 2089 C ALA A 132 -9.709 -15.097 4.677 1.00 0.00 C ATOM 2090 O ALA A 132 -10.426 -15.548 3.815 1.00 0.00 O ATOM 2091 CB ALA A 132 -7.424 -14.245 4.259 1.00 0.00 C ATOM 0 H ALA A 132 -8.213 -12.716 6.098 1.00 0.00 H new ATOM 0 HA ALA A 132 -9.234 -13.336 3.529 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.323 -14.909 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -6.823 -13.350 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.078 -14.758 5.156 1.00 0.00 H new ATOM 2097 N GLN A 133 -9.615 -15.676 5.836 1.00 0.00 N ATOM 2098 CA GLN A 133 -10.422 -16.916 6.040 1.00 0.00 C ATOM 2099 C GLN A 133 -11.915 -16.583 5.980 1.00 0.00 C ATOM 2100 O GLN A 133 -12.697 -17.317 5.400 1.00 0.00 O ATOM 2101 CB GLN A 133 -10.094 -17.600 7.372 1.00 0.00 C ATOM 2102 CG GLN A 133 -9.989 -16.558 8.474 1.00 0.00 C ATOM 2103 CD GLN A 133 -9.960 -17.242 9.842 1.00 0.00 C ATOM 2104 OE1 GLN A 133 -9.249 -18.208 10.040 1.00 0.00 O ATOM 2105 NE2 GLN A 133 -10.724 -16.785 10.798 1.00 0.00 N ATOM 0 H GLN A 133 -9.043 -15.367 6.622 1.00 0.00 H new ATOM 0 HA GLN A 133 -10.167 -17.611 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -10.868 -18.327 7.619 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -9.156 -18.149 7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -9.087 -15.962 8.337 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -10.835 -15.873 8.419 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -11.320 -15.974 10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -10.724 -17.239 11.712 1.00 0.00 H new ATOM 2114 N GLN A 134 -12.337 -15.488 6.564 1.00 0.00 N ATOM 2115 CA GLN A 134 -13.797 -15.171 6.506 1.00 0.00 C ATOM 2116 C GLN A 134 -14.179 -14.627 5.113 1.00 0.00 C ATOM 2117 O GLN A 134 -15.212 -14.965 4.566 1.00 0.00 O ATOM 2118 CB GLN A 134 -14.177 -14.155 7.615 1.00 0.00 C ATOM 2119 CG GLN A 134 -14.044 -12.700 7.122 1.00 0.00 C ATOM 2120 CD GLN A 134 -13.982 -11.733 8.312 1.00 0.00 C ATOM 2121 OE1 GLN A 134 -14.707 -10.759 8.354 1.00 0.00 O ATOM 2122 NE2 GLN A 134 -13.143 -11.966 9.284 1.00 0.00 N ATOM 0 H GLN A 134 -11.753 -14.818 7.064 1.00 0.00 H new ATOM 0 HA GLN A 134 -14.357 -16.090 6.678 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -15.201 -14.337 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -13.535 -14.306 8.483 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -13.145 -12.596 6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -14.891 -12.447 6.484 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -12.535 -12.784 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -13.095 -11.330 10.080 1.00 0.00 H new ATOM 2131 N GLU A 135 -13.379 -13.767 4.537 1.00 0.00 N ATOM 2132 CA GLU A 135 -13.757 -13.213 3.213 1.00 0.00 C ATOM 2133 C GLU A 135 -13.756 -14.323 2.158 1.00 0.00 C ATOM 2134 O GLU A 135 -14.497 -14.275 1.206 1.00 0.00 O ATOM 2135 CB GLU A 135 -12.785 -12.086 2.825 1.00 0.00 C ATOM 2136 CG GLU A 135 -11.534 -12.647 2.126 1.00 0.00 C ATOM 2137 CD GLU A 135 -11.798 -12.816 0.626 1.00 0.00 C ATOM 2138 OE1 GLU A 135 -12.221 -11.856 0.005 1.00 0.00 O ATOM 2139 OE2 GLU A 135 -11.564 -13.903 0.126 1.00 0.00 O ATOM 0 H GLU A 135 -12.496 -13.432 4.922 1.00 0.00 H new ATOM 0 HA GLU A 135 -14.764 -12.799 3.269 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -13.288 -11.380 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -12.490 -11.534 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -10.690 -11.975 2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -11.262 -13.607 2.565 1.00 0.00 H new ATOM 2146 N ASP A 136 -12.919 -15.316 2.307 1.00 0.00 N ATOM 2147 CA ASP A 136 -12.893 -16.403 1.282 1.00 0.00 C ATOM 2148 C ASP A 136 -14.228 -17.149 1.304 1.00 0.00 C ATOM 2149 O ASP A 136 -14.744 -17.544 0.281 1.00 0.00 O ATOM 2150 CB ASP A 136 -11.726 -17.374 1.569 1.00 0.00 C ATOM 2151 CG ASP A 136 -12.148 -18.469 2.565 1.00 0.00 C ATOM 2152 OD1 ASP A 136 -12.989 -19.278 2.211 1.00 0.00 O ATOM 2153 OD2 ASP A 136 -11.625 -18.476 3.661 1.00 0.00 O ATOM 0 H ASP A 136 -12.262 -15.422 3.080 1.00 0.00 H new ATOM 0 HA ASP A 136 -12.742 -15.969 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -11.394 -17.833 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -10.878 -16.820 1.971 1.00 0.00 H new ATOM 2158 N ALA A 137 -14.781 -17.351 2.475 1.00 0.00 N ATOM 2159 CA ALA A 137 -16.080 -18.080 2.574 1.00 0.00 C ATOM 2160 C ALA A 137 -17.184 -17.299 1.851 1.00 0.00 C ATOM 2161 O ALA A 137 -17.928 -17.840 1.058 1.00 0.00 O ATOM 2162 CB ALA A 137 -16.460 -18.242 4.049 1.00 0.00 C ATOM 0 H ALA A 137 -14.388 -17.042 3.364 1.00 0.00 H new ATOM 0 HA ALA A 137 -15.973 -19.059 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -17.408 -18.774 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -15.684 -18.808 4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -16.558 -17.259 4.510 1.00 0.00 H new ATOM 2168 N LEU A 138 -17.308 -16.031 2.131 1.00 0.00 N ATOM 2169 CA LEU A 138 -18.375 -15.218 1.465 1.00 0.00 C ATOM 2170 C LEU A 138 -17.900 -14.717 0.103 1.00 0.00 C ATOM 2171 O LEU A 138 -18.655 -14.132 -0.652 1.00 0.00 O ATOM 2172 CB LEU A 138 -18.749 -14.025 2.348 1.00 0.00 C ATOM 2173 CG LEU A 138 -17.504 -13.178 2.666 1.00 0.00 C ATOM 2174 CD1 LEU A 138 -17.080 -12.305 1.460 1.00 0.00 C ATOM 2175 CD2 LEU A 138 -17.807 -12.290 3.887 1.00 0.00 C ATOM 0 H LEU A 138 -16.720 -15.520 2.790 1.00 0.00 H new ATOM 0 HA LEU A 138 -19.250 -15.852 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -19.495 -13.411 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -19.202 -14.379 3.274 1.00 0.00 H new ATOM 0 HG LEU A 138 -16.673 -13.848 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -16.198 -11.722 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -16.849 -12.947 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -17.894 -11.630 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -16.932 -11.684 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -18.650 -11.637 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -18.054 -12.919 4.742 1.00 0.00 H new ATOM 2187 N ALA A 139 -16.661 -14.950 -0.223 1.00 0.00 N ATOM 2188 CA ALA A 139 -16.132 -14.473 -1.537 1.00 0.00 C ATOM 2189 C ALA A 139 -16.926 -15.137 -2.667 1.00 0.00 C ATOM 2190 O ALA A 139 -17.002 -14.619 -3.762 1.00 0.00 O ATOM 2191 CB ALA A 139 -14.651 -14.860 -1.677 1.00 0.00 C ATOM 0 H ALA A 139 -15.989 -15.449 0.360 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.231 -13.389 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.272 -14.509 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -14.077 -14.402 -0.871 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.551 -15.944 -1.622 1.00 0.00 H new ATOM 2197 N GLN A 140 -17.513 -16.273 -2.422 1.00 0.00 N ATOM 2198 CA GLN A 140 -18.281 -16.951 -3.500 1.00 0.00 C ATOM 2199 C GLN A 140 -19.615 -16.227 -3.729 1.00 0.00 C ATOM 2200 O GLN A 140 -20.193 -15.659 -2.823 1.00 0.00 O ATOM 2201 CB GLN A 140 -18.543 -18.390 -3.072 1.00 0.00 C ATOM 2202 CG GLN A 140 -17.219 -19.127 -2.894 1.00 0.00 C ATOM 2203 CD GLN A 140 -17.510 -20.567 -2.462 1.00 0.00 C ATOM 2204 OE1 GLN A 140 -18.629 -20.895 -2.114 1.00 0.00 O ATOM 2205 NE2 GLN A 140 -16.541 -21.448 -2.457 1.00 0.00 N ATOM 0 H GLN A 140 -17.495 -16.760 -1.526 1.00 0.00 H new ATOM 0 HA GLN A 140 -17.712 -16.933 -4.429 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -19.106 -18.404 -2.139 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -19.153 -18.896 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -16.655 -19.119 -3.826 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -16.605 -18.625 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -15.602 -21.175 -2.748 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -16.725 -22.407 -2.162 1.00 0.00 H new ATOM 2214 N GLN A 141 -20.112 -16.243 -4.938 1.00 0.00 N ATOM 2215 CA GLN A 141 -21.401 -15.559 -5.230 1.00 0.00 C ATOM 2216 C GLN A 141 -22.543 -16.558 -5.080 1.00 0.00 C ATOM 2217 O GLN A 141 -22.321 -17.578 -4.450 1.00 0.00 O ATOM 2218 CB GLN A 141 -21.357 -15.022 -6.659 1.00 0.00 C ATOM 2219 CG GLN A 141 -21.140 -16.175 -7.643 1.00 0.00 C ATOM 2220 CD GLN A 141 -20.887 -15.604 -9.041 1.00 0.00 C ATOM 2221 OE1 GLN A 141 -20.219 -14.597 -9.189 1.00 0.00 O ATOM 2222 NE2 GLN A 141 -21.393 -16.208 -10.081 1.00 0.00 N ATOM 2223 OXT GLN A 141 -23.617 -16.288 -5.591 1.00 0.00 O ATOM 0 H GLN A 141 -19.677 -16.703 -5.738 1.00 0.00 H new ATOM 0 HA GLN A 141 -21.559 -14.733 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -22.288 -14.505 -6.891 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -20.554 -14.292 -6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -20.293 -16.784 -7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -22.014 -16.827 -7.656 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -21.953 -17.052 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -21.229 -15.836 -11.017 1.00 0.00 H new TER 2232 GLN A 141