USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 MET CE :methyl 155:sc= 0 (180deg=-0.222) USER MOD Set 1.2: A 51 MET CE :methyl 179:sc= 0 (180deg=-0.0117) USER MOD Set 2.1: A 26 THR OG1 : rot 150:sc= 0.21 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.973 K(o=1.4,f=-4.4!) USER MOD Set 2.3: A 62 THR OG1 : rot -3:sc= 0.195 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 13 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.413) USER MOD Single : A 17 SER OG : rot -36:sc= 0.0406 USER MOD Single : A 21 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0539) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 29 THR OG1 : rot 172:sc= 1.01 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 38 SER OG : rot -1:sc= 1.15 USER MOD Single : A 41 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.021) USER MOD Single : A 42 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.018) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0187 K(o=-0.019,f=-1.3!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 70 THR OG1 : rot 77:sc= 0.117 USER MOD Single : A 71 MET CE :methyl -176:sc=-0.00535 (180deg=-0.044) USER MOD Single : A 72 MET CE :methyl -173:sc= 0 (180deg=-0.0122) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00322) USER MOD Single : A 97 ASN : amide:sc= 0.374 K(o=0.37,f=-3.4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -61:sc= 0.324 USER MOD Single : A 107 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 86:sc= 1.17 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 124 MET CE :methyl -178:sc= -0.0408 (180deg=-0.05) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 137 ASN : amide:sc= -0.0676 K(o=-0.068,f=-6.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 144 MET CE :methyl -115:sc= -0.155 (180deg=-0.799) USER MOD Single : A 145 MET CE :methyl -167:sc= 0 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.151 15.319 1.358 1.00 0.00 N ATOM 59 CA THR A 5 -12.941 16.481 1.094 1.00 0.00 C ATOM 60 C THR A 5 -14.324 16.139 0.655 1.00 0.00 C ATOM 61 O THR A 5 -14.598 14.984 0.333 1.00 0.00 O ATOM 62 CB THR A 5 -12.285 17.326 0.043 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.241 16.748 -1.254 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.894 17.794 0.503 1.00 0.00 C ATOM 0 HA THR A 5 -13.013 17.034 2.031 1.00 0.00 H new ATOM 0 HB THR A 5 -12.934 18.194 -0.070 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.799 17.366 -1.873 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.439 18.405 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 5 -10.991 18.383 1.415 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.264 16.926 0.697 1.00 0.00 H new ATOM 72 N GLU A 6 -15.226 17.113 0.443 1.00 0.00 N ATOM 73 CA GLU A 6 -16.514 16.797 -0.093 1.00 0.00 C ATOM 74 C GLU A 6 -16.482 16.231 -1.471 1.00 0.00 C ATOM 75 O GLU A 6 -17.344 15.418 -1.801 1.00 0.00 O ATOM 76 CB GLU A 6 -17.575 17.909 -0.019 1.00 0.00 C ATOM 77 CG GLU A 6 -17.791 18.671 1.290 1.00 0.00 C ATOM 78 CD GLU A 6 -18.560 17.891 2.347 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.681 17.418 2.021 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.036 17.795 3.489 1.00 0.00 O ATOM 0 H GLU A 6 -15.069 18.102 0.638 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.835 16.019 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.329 18.644 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.531 17.465 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.820 18.953 1.697 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.327 19.595 1.075 1.00 0.00 H new ATOM 87 N GLU A 7 -15.547 16.671 -2.332 1.00 0.00 N ATOM 88 CA GLU A 7 -15.400 16.250 -3.691 1.00 0.00 C ATOM 89 C GLU A 7 -14.788 14.905 -3.881 1.00 0.00 C ATOM 90 O GLU A 7 -15.167 14.098 -4.729 1.00 0.00 O ATOM 91 CB GLU A 7 -14.638 17.283 -4.539 1.00 0.00 C ATOM 92 CG GLU A 7 -15.481 18.450 -5.057 1.00 0.00 C ATOM 93 CD GLU A 7 -16.446 17.921 -6.109 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.964 17.443 -7.171 1.00 0.00 O ATOM 95 OE2 GLU A 7 -17.688 17.927 -5.898 1.00 0.00 O ATOM 0 H GLU A 7 -14.850 17.365 -2.061 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.430 16.169 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.818 17.684 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.192 16.771 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.031 18.913 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.839 19.220 -5.485 1.00 0.00 H new ATOM 102 N GLN A 8 -13.818 14.586 -3.005 1.00 0.00 N ATOM 103 CA GLN A 8 -13.246 13.281 -2.884 1.00 0.00 C ATOM 104 C GLN A 8 -14.229 12.281 -2.378 1.00 0.00 C ATOM 105 O GLN A 8 -14.326 11.247 -3.036 1.00 0.00 O ATOM 106 CB GLN A 8 -12.096 13.373 -1.867 1.00 0.00 C ATOM 107 CG GLN A 8 -10.928 14.115 -2.519 1.00 0.00 C ATOM 108 CD GLN A 8 -9.775 14.161 -1.526 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.799 13.870 -0.331 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.607 14.482 -2.143 1.00 0.00 N ATOM 0 H GLN A 8 -13.417 15.263 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.911 12.957 -3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.425 13.898 -0.970 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -11.785 12.376 -1.556 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.621 13.609 -3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.229 15.125 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.603 14.721 -3.135 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.735 14.484 -1.614 1.00 0.00 H new ATOM 119 N ILE A 9 -15.064 12.615 -1.378 1.00 0.00 N ATOM 120 CA ILE A 9 -16.153 11.822 -0.896 1.00 0.00 C ATOM 121 C ILE A 9 -17.275 11.744 -1.873 1.00 0.00 C ATOM 122 O ILE A 9 -17.910 10.691 -1.826 1.00 0.00 O ATOM 123 CB ILE A 9 -16.650 12.375 0.407 1.00 0.00 C ATOM 124 CG1 ILE A 9 -15.617 12.266 1.541 1.00 0.00 C ATOM 125 CG2 ILE A 9 -17.940 11.710 0.915 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.983 12.552 2.997 1.00 0.00 C ATOM 0 H ILE A 9 -14.972 13.497 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 9 -15.777 10.809 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 9 -16.847 13.420 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -15.221 11.251 1.510 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -14.797 12.936 1.285 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.235 12.164 1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -18.734 11.850 0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -17.766 10.644 1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.104 12.415 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.338 13.579 3.088 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -16.769 11.867 3.316 1.00 0.00 H new ATOM 138 N ALA A 10 -17.644 12.703 -2.741 1.00 0.00 N ATOM 139 CA ALA A 10 -18.588 12.661 -3.815 1.00 0.00 C ATOM 140 C ALA A 10 -18.154 11.712 -4.879 1.00 0.00 C ATOM 141 O ALA A 10 -18.963 11.123 -5.593 1.00 0.00 O ATOM 142 CB ALA A 10 -18.944 14.106 -4.202 1.00 0.00 C ATOM 0 H ALA A 10 -17.221 13.629 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.543 12.220 -3.530 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.664 14.097 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.379 14.616 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.042 14.631 -4.518 1.00 0.00 H new ATOM 148 N GLU A 11 -16.843 11.523 -5.113 1.00 0.00 N ATOM 149 CA GLU A 11 -16.427 10.542 -6.066 1.00 0.00 C ATOM 150 C GLU A 11 -16.622 9.142 -5.595 1.00 0.00 C ATOM 151 O GLU A 11 -17.057 8.259 -6.334 1.00 0.00 O ATOM 152 CB GLU A 11 -14.973 10.654 -6.555 1.00 0.00 C ATOM 153 CG GLU A 11 -14.616 11.953 -7.279 1.00 0.00 C ATOM 154 CD GLU A 11 -13.153 11.870 -7.689 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.277 11.726 -6.795 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.900 11.790 -8.920 1.00 0.00 O ATOM 0 H GLU A 11 -16.088 12.035 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.086 10.770 -6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.311 10.544 -5.696 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.769 9.818 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.251 12.089 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.782 12.811 -6.628 1.00 0.00 H new ATOM 163 N PHE A 12 -16.260 8.910 -4.321 1.00 0.00 N ATOM 164 CA PHE A 12 -16.550 7.681 -3.650 1.00 0.00 C ATOM 165 C PHE A 12 -17.983 7.281 -3.554 1.00 0.00 C ATOM 166 O PHE A 12 -18.381 6.117 -3.524 1.00 0.00 O ATOM 167 CB PHE A 12 -15.901 7.572 -2.260 1.00 0.00 C ATOM 168 CG PHE A 12 -14.414 7.662 -2.260 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.642 6.910 -3.114 1.00 0.00 C ATOM 170 CD2 PHE A 12 -13.796 8.557 -1.418 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.312 7.200 -3.308 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.475 8.882 -1.618 1.00 0.00 C ATOM 173 CZ PHE A 12 -11.753 8.230 -2.590 1.00 0.00 C ATOM 0 H PHE A 12 -15.757 9.587 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.089 6.968 -4.334 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.300 8.363 -1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.194 6.623 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.087 6.079 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.346 9.003 -0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.720 6.631 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.007 9.646 -1.015 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.735 8.531 -2.791 1.00 0.00 H new ATOM 183 N LYS A 13 -18.878 8.283 -3.590 1.00 0.00 N ATOM 184 CA LYS A 13 -20.294 8.084 -3.558 1.00 0.00 C ATOM 185 C LYS A 13 -20.911 7.667 -4.849 1.00 0.00 C ATOM 186 O LYS A 13 -21.819 6.837 -4.824 1.00 0.00 O ATOM 187 CB LYS A 13 -20.889 9.409 -3.053 1.00 0.00 C ATOM 188 CG LYS A 13 -22.354 9.439 -2.612 1.00 0.00 C ATOM 189 CD LYS A 13 -22.640 10.810 -1.996 1.00 0.00 C ATOM 190 CE LYS A 13 -23.989 10.874 -1.279 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.015 10.408 -2.238 1.00 0.00 N ATOM 0 H LYS A 13 -18.608 9.265 -3.643 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.515 7.241 -2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.284 9.742 -2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.768 10.148 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.011 9.260 -3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.549 8.649 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -21.847 11.057 -1.290 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.615 11.567 -2.780 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.982 10.246 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -24.203 11.891 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.957 10.700 -1.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.831 10.825 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.979 9.371 -2.308 1.00 0.00 H new ATOM 205 N GLU A 14 -20.491 8.227 -5.997 1.00 0.00 N ATOM 206 CA GLU A 14 -20.610 7.688 -7.317 1.00 0.00 C ATOM 207 C GLU A 14 -20.087 6.307 -7.516 1.00 0.00 C ATOM 208 O GLU A 14 -20.641 5.532 -8.293 1.00 0.00 O ATOM 209 CB GLU A 14 -19.857 8.570 -8.327 1.00 0.00 C ATOM 210 CG GLU A 14 -20.191 8.330 -9.801 1.00 0.00 C ATOM 211 CD GLU A 14 -21.543 8.973 -10.069 1.00 0.00 C ATOM 212 OE1 GLU A 14 -21.609 10.210 -10.300 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.503 8.184 -10.279 1.00 0.00 O ATOM 0 H GLU A 14 -20.028 9.136 -6.000 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.689 7.661 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.063 9.614 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.787 8.417 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.425 8.764 -10.444 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.223 7.262 -10.019 1.00 0.00 H new ATOM 220 N ALA A 15 -18.973 5.947 -6.854 1.00 0.00 N ATOM 221 CA ALA A 15 -18.449 4.618 -6.805 1.00 0.00 C ATOM 222 C ALA A 15 -19.345 3.636 -6.131 1.00 0.00 C ATOM 223 O ALA A 15 -19.745 2.605 -6.669 1.00 0.00 O ATOM 224 CB ALA A 15 -17.005 4.681 -6.280 1.00 0.00 C ATOM 0 H ALA A 15 -18.411 6.616 -6.327 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.411 4.204 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.590 3.674 -6.236 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.401 5.294 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.999 5.119 -5.282 1.00 0.00 H new ATOM 230 N PHE A 16 -19.799 3.941 -4.902 1.00 0.00 N ATOM 231 CA PHE A 16 -20.764 3.255 -4.099 1.00 0.00 C ATOM 232 C PHE A 16 -21.997 2.959 -4.881 1.00 0.00 C ATOM 233 O PHE A 16 -22.468 1.840 -4.684 1.00 0.00 O ATOM 234 CB PHE A 16 -21.058 4.126 -2.866 1.00 0.00 C ATOM 235 CG PHE A 16 -21.589 3.339 -1.717 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.890 2.894 -1.699 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.838 3.185 -0.576 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.412 2.226 -0.617 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.389 2.567 0.522 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.665 2.054 0.524 1.00 0.00 C ATOM 0 H PHE A 16 -19.446 4.766 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.372 2.291 -3.775 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.144 4.635 -2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.778 4.898 -3.136 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.519 3.074 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.821 3.547 -0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.417 1.833 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.795 2.481 1.420 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.063 1.538 1.385 1.00 0.00 H new ATOM 250 N SER A 17 -22.615 3.927 -5.581 1.00 0.00 N ATOM 251 CA SER A 17 -23.832 3.685 -6.293 1.00 0.00 C ATOM 252 C SER A 17 -23.695 2.763 -7.455 1.00 0.00 C ATOM 253 O SER A 17 -24.640 2.037 -7.758 1.00 0.00 O ATOM 254 CB SER A 17 -24.510 4.979 -6.773 1.00 0.00 C ATOM 255 OG SER A 17 -23.840 5.559 -7.882 1.00 0.00 O ATOM 0 H SER A 17 -22.269 4.884 -5.654 1.00 0.00 H new ATOM 0 HA SER A 17 -24.460 3.195 -5.549 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.543 4.765 -7.047 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.539 5.697 -5.953 1.00 0.00 H new ATOM 0 HG SER A 17 -22.874 5.427 -7.786 1.00 0.00 H new ATOM 261 N LEU A 18 -22.520 2.597 -8.088 1.00 0.00 N ATOM 262 CA LEU A 18 -22.275 1.577 -9.060 1.00 0.00 C ATOM 263 C LEU A 18 -22.083 0.250 -8.410 1.00 0.00 C ATOM 264 O LEU A 18 -22.370 -0.771 -9.031 1.00 0.00 O ATOM 265 CB LEU A 18 -21.053 1.967 -9.910 1.00 0.00 C ATOM 266 CG LEU A 18 -21.247 1.541 -11.375 1.00 0.00 C ATOM 267 CD1 LEU A 18 -22.350 2.400 -12.017 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.967 1.682 -12.215 1.00 0.00 C ATOM 0 H LEU A 18 -21.711 3.195 -7.917 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.144 1.489 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.897 3.045 -9.858 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.158 1.495 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.522 0.486 -11.362 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -22.488 2.099 -13.055 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -23.283 2.261 -11.472 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -22.061 3.450 -11.979 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.167 1.366 -13.239 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.643 2.723 -12.213 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -19.182 1.057 -11.790 1.00 0.00 H new ATOM 280 N PHE A 19 -21.659 0.189 -7.135 1.00 0.00 N ATOM 281 CA PHE A 19 -21.513 -1.029 -6.400 1.00 0.00 C ATOM 282 C PHE A 19 -22.795 -1.551 -5.850 1.00 0.00 C ATOM 283 O PHE A 19 -23.071 -2.743 -5.974 1.00 0.00 O ATOM 284 CB PHE A 19 -20.417 -0.839 -5.338 1.00 0.00 C ATOM 285 CG PHE A 19 -19.116 -0.386 -5.905 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.706 -0.748 -7.167 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.255 0.442 -5.223 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.561 -0.276 -7.764 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.091 0.954 -5.746 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.795 0.610 -7.044 1.00 0.00 C ATOM 0 H PHE A 19 -21.409 1.018 -6.596 1.00 0.00 H new ATOM 0 HA PHE A 19 -21.198 -1.815 -7.087 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.757 -0.111 -4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.266 -1.780 -4.809 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -19.319 -1.443 -7.721 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.511 0.708 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.275 -0.588 -8.758 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.442 1.594 -5.167 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.929 1.052 -7.515 1.00 0.00 H new ATOM 300 N ASP A 20 -23.634 -0.690 -5.245 1.00 0.00 N ATOM 301 CA ASP A 20 -24.870 -1.042 -4.619 1.00 0.00 C ATOM 302 C ASP A 20 -25.867 -1.360 -5.680 1.00 0.00 C ATOM 303 O ASP A 20 -26.269 -0.446 -6.398 1.00 0.00 O ATOM 304 CB ASP A 20 -25.354 -0.010 -3.587 1.00 0.00 C ATOM 305 CG ASP A 20 -26.569 -0.458 -2.788 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.981 -1.644 -2.900 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.179 0.366 -2.055 1.00 0.00 O ATOM 0 H ASP A 20 -23.437 0.309 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.719 -1.935 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.539 0.209 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.594 0.920 -4.103 1.00 0.00 H new ATOM 312 N LYS A 21 -26.362 -2.603 -5.814 1.00 0.00 N ATOM 313 CA LYS A 21 -26.996 -2.985 -7.037 1.00 0.00 C ATOM 314 C LYS A 21 -28.453 -2.789 -6.793 1.00 0.00 C ATOM 315 O LYS A 21 -29.069 -2.229 -7.699 1.00 0.00 O ATOM 316 CB LYS A 21 -26.620 -4.423 -7.434 1.00 0.00 C ATOM 317 CG LYS A 21 -27.160 -5.006 -8.741 1.00 0.00 C ATOM 318 CD LYS A 21 -26.470 -6.366 -8.871 1.00 0.00 C ATOM 319 CE LYS A 21 -26.751 -7.136 -10.163 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.381 -6.339 -11.354 1.00 0.00 N ATOM 0 H LYS A 21 -26.326 -3.327 -5.096 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.672 -2.386 -7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -25.532 -4.477 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.940 -5.080 -6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -28.244 -5.113 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.928 -4.361 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.394 -6.215 -8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.772 -6.987 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.192 -8.072 -10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -27.808 -7.397 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.487 -6.922 -12.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.003 -5.508 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.393 -6.026 -11.269 1.00 0.00 H new ATOM 334 N ASP A 22 -29.015 -3.210 -5.646 1.00 0.00 N ATOM 335 CA ASP A 22 -30.385 -2.991 -5.301 1.00 0.00 C ATOM 336 C ASP A 22 -30.723 -1.597 -4.897 1.00 0.00 C ATOM 337 O ASP A 22 -31.851 -1.156 -5.115 1.00 0.00 O ATOM 338 CB ASP A 22 -31.036 -4.144 -4.517 1.00 0.00 C ATOM 339 CG ASP A 22 -30.106 -4.493 -3.364 1.00 0.00 C ATOM 340 OD1 ASP A 22 -29.087 -3.802 -3.096 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.260 -5.628 -2.838 1.00 0.00 O ATOM 0 H ASP A 22 -28.496 -3.722 -4.933 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.925 -3.049 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -32.016 -3.848 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.188 -5.009 -5.162 1.00 0.00 H new ATOM 346 N GLY A 23 -29.799 -0.927 -4.185 1.00 0.00 N ATOM 347 CA GLY A 23 -30.024 0.403 -3.709 1.00 0.00 C ATOM 348 C GLY A 23 -30.839 0.421 -2.462 1.00 0.00 C ATOM 349 O GLY A 23 -31.706 1.278 -2.303 1.00 0.00 O ATOM 0 H GLY A 23 -28.887 -1.311 -3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.066 0.888 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.530 0.983 -4.481 1.00 0.00 H new ATOM 353 N ASP A 24 -30.626 -0.596 -1.607 1.00 0.00 N ATOM 354 CA ASP A 24 -31.056 -0.561 -0.244 1.00 0.00 C ATOM 355 C ASP A 24 -30.214 0.401 0.521 1.00 0.00 C ATOM 356 O ASP A 24 -30.752 1.158 1.328 1.00 0.00 O ATOM 357 CB ASP A 24 -31.152 -2.019 0.235 1.00 0.00 C ATOM 358 CG ASP A 24 -29.799 -2.679 0.462 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.902 -2.720 -0.423 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.720 -3.295 1.558 1.00 0.00 O ATOM 0 H ASP A 24 -30.147 -1.458 -1.867 1.00 0.00 H new ATOM 0 HA ASP A 24 -32.055 -0.155 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.722 -2.050 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.710 -2.598 -0.501 1.00 0.00 H new ATOM 365 N GLY A 25 -28.902 0.506 0.248 1.00 0.00 N ATOM 366 CA GLY A 25 -28.134 1.627 0.693 1.00 0.00 C ATOM 367 C GLY A 25 -26.849 1.257 1.351 1.00 0.00 C ATOM 368 O GLY A 25 -26.073 2.002 1.946 1.00 0.00 O ATOM 0 H GLY A 25 -28.372 -0.186 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.921 2.271 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.733 2.211 1.391 1.00 0.00 H new ATOM 372 N THR A 26 -26.539 -0.052 1.373 1.00 0.00 N ATOM 373 CA THR A 26 -25.296 -0.606 1.811 1.00 0.00 C ATOM 374 C THR A 26 -24.730 -1.545 0.801 1.00 0.00 C ATOM 375 O THR A 26 -25.321 -1.703 -0.266 1.00 0.00 O ATOM 376 CB THR A 26 -25.532 -1.336 3.100 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.432 -2.429 2.988 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.072 -0.433 4.222 1.00 0.00 C ATOM 0 H THR A 26 -27.198 -0.767 1.066 1.00 0.00 H new ATOM 0 HA THR A 26 -24.578 0.203 1.949 1.00 0.00 H new ATOM 0 HB THR A 26 -24.536 -1.702 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.194 -3.117 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.220 -1.024 5.126 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.357 0.364 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.023 0.002 3.913 1.00 0.00 H new ATOM 386 N ILE A 27 -23.542 -2.120 1.061 1.00 0.00 N ATOM 387 CA ILE A 27 -22.865 -3.056 0.219 1.00 0.00 C ATOM 388 C ILE A 27 -22.585 -4.274 1.030 1.00 0.00 C ATOM 389 O ILE A 27 -21.999 -4.217 2.110 1.00 0.00 O ATOM 390 CB ILE A 27 -21.544 -2.560 -0.289 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.443 -1.037 -0.481 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.220 -3.215 -1.643 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.121 -0.499 -1.029 1.00 0.00 C ATOM 0 H ILE A 27 -23.022 -1.917 1.915 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.509 -3.238 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.835 -2.834 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.242 -0.725 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.632 -0.560 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.259 -2.849 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.173 -4.297 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.998 -2.964 -2.364 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.178 0.586 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.311 -0.765 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.930 -0.933 -2.010 1.00 0.00 H new ATOM 405 N THR A 28 -22.946 -5.455 0.499 1.00 0.00 N ATOM 406 CA THR A 28 -22.672 -6.751 1.038 1.00 0.00 C ATOM 407 C THR A 28 -21.329 -7.258 0.637 1.00 0.00 C ATOM 408 O THR A 28 -20.576 -6.705 -0.162 1.00 0.00 O ATOM 409 CB THR A 28 -23.656 -7.806 0.627 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.902 -7.772 -0.771 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.053 -7.498 1.192 1.00 0.00 C ATOM 0 H THR A 28 -23.470 -5.507 -0.375 1.00 0.00 H new ATOM 0 HA THR A 28 -22.735 -6.590 2.114 1.00 0.00 H new ATOM 0 HB THR A 28 -23.225 -8.745 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.546 -8.472 -1.007 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.751 -8.276 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.006 -7.466 2.281 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.394 -6.534 0.815 1.00 0.00 H new ATOM 419 N THR A 29 -21.093 -8.498 1.103 1.00 0.00 N ATOM 420 CA THR A 29 -19.986 -9.300 0.682 1.00 0.00 C ATOM 421 C THR A 29 -20.153 -9.626 -0.763 1.00 0.00 C ATOM 422 O THR A 29 -19.193 -9.529 -1.526 1.00 0.00 O ATOM 423 CB THR A 29 -19.861 -10.648 1.327 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.093 -11.347 1.423 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.285 -10.415 2.734 1.00 0.00 C ATOM 0 H THR A 29 -21.689 -8.956 1.792 1.00 0.00 H new ATOM 0 HA THR A 29 -19.117 -8.697 0.947 1.00 0.00 H new ATOM 0 HB THR A 29 -19.216 -11.272 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.927 -12.262 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.175 -11.371 3.245 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.311 -9.933 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.960 -9.775 3.302 1.00 0.00 H new ATOM 433 N LYS A 30 -21.343 -9.968 -1.289 1.00 0.00 N ATOM 434 CA LYS A 30 -21.574 -10.408 -2.629 1.00 0.00 C ATOM 435 C LYS A 30 -21.286 -9.298 -3.581 1.00 0.00 C ATOM 436 O LYS A 30 -20.628 -9.473 -4.605 1.00 0.00 O ATOM 437 CB LYS A 30 -23.029 -10.876 -2.806 1.00 0.00 C ATOM 438 CG LYS A 30 -23.378 -11.998 -1.827 1.00 0.00 C ATOM 439 CD LYS A 30 -24.565 -12.816 -2.340 1.00 0.00 C ATOM 440 CE LYS A 30 -25.127 -13.897 -1.415 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.270 -15.082 -1.187 1.00 0.00 N ATOM 0 H LYS A 30 -22.201 -9.934 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.911 -11.248 -2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.705 -10.034 -2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.179 -11.223 -3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.514 -12.649 -1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.617 -11.575 -0.851 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.373 -12.124 -2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.267 -13.293 -3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -25.343 -13.441 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.077 -14.237 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.754 -15.743 -0.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.082 -15.554 -2.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -23.370 -14.783 -0.760 1.00 0.00 H new ATOM 455 N GLU A 31 -21.690 -8.054 -3.267 1.00 0.00 N ATOM 456 CA GLU A 31 -21.566 -6.888 -4.085 1.00 0.00 C ATOM 457 C GLU A 31 -20.206 -6.287 -3.977 1.00 0.00 C ATOM 458 O GLU A 31 -19.728 -5.694 -4.943 1.00 0.00 O ATOM 459 CB GLU A 31 -22.564 -5.872 -3.504 1.00 0.00 C ATOM 460 CG GLU A 31 -24.026 -6.156 -3.850 1.00 0.00 C ATOM 461 CD GLU A 31 -25.085 -5.287 -3.186 1.00 0.00 C ATOM 462 OE1 GLU A 31 -25.187 -5.230 -1.932 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.907 -4.545 -3.788 1.00 0.00 O ATOM 0 H GLU A 31 -22.137 -7.850 -2.373 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.747 -7.142 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.457 -5.855 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.304 -4.877 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.141 -6.061 -4.930 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.236 -7.195 -3.597 1.00 0.00 H new ATOM 470 N LEU A 32 -19.470 -6.419 -2.859 1.00 0.00 N ATOM 471 CA LEU A 32 -18.094 -6.035 -2.799 1.00 0.00 C ATOM 472 C LEU A 32 -17.239 -6.914 -3.645 1.00 0.00 C ATOM 473 O LEU A 32 -16.343 -6.443 -4.343 1.00 0.00 O ATOM 474 CB LEU A 32 -17.618 -5.918 -1.341 1.00 0.00 C ATOM 475 CG LEU A 32 -16.492 -4.935 -0.979 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.130 -5.303 -1.592 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.872 -3.504 -1.396 1.00 0.00 C ATOM 0 H LEU A 32 -19.835 -6.797 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.993 -5.039 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.486 -5.655 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.297 -6.910 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.380 -4.997 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.385 -4.565 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.826 -6.288 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.212 -5.316 -2.679 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.064 -2.822 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.038 -3.471 -2.473 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.783 -3.204 -0.879 1.00 0.00 H new ATOM 489 N GLY A 33 -17.562 -8.219 -3.667 1.00 0.00 N ATOM 490 CA GLY A 33 -16.954 -9.255 -4.443 1.00 0.00 C ATOM 491 C GLY A 33 -16.832 -9.014 -5.909 1.00 0.00 C ATOM 492 O GLY A 33 -15.805 -9.273 -6.534 1.00 0.00 O ATOM 0 H GLY A 33 -18.319 -8.580 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.956 -9.436 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.527 -10.170 -4.296 1.00 0.00 H new ATOM 496 N THR A 34 -17.923 -8.555 -6.548 1.00 0.00 N ATOM 497 CA THR A 34 -17.986 -8.241 -7.942 1.00 0.00 C ATOM 498 C THR A 34 -17.063 -7.180 -8.435 1.00 0.00 C ATOM 499 O THR A 34 -16.619 -7.229 -9.581 1.00 0.00 O ATOM 500 CB THR A 34 -19.404 -7.895 -8.286 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.204 -8.943 -7.759 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.527 -7.618 -9.794 1.00 0.00 C ATOM 0 H THR A 34 -18.808 -8.395 -6.066 1.00 0.00 H new ATOM 0 HA THR A 34 -17.636 -9.137 -8.455 1.00 0.00 H new ATOM 0 HB THR A 34 -19.760 -6.967 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.147 -8.765 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.560 -7.368 -10.035 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.879 -6.784 -10.065 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.229 -8.505 -10.352 1.00 0.00 H new ATOM 510 N VAL A 35 -16.789 -6.224 -7.530 1.00 0.00 N ATOM 511 CA VAL A 35 -15.814 -5.191 -7.696 1.00 0.00 C ATOM 512 C VAL A 35 -14.444 -5.764 -7.812 1.00 0.00 C ATOM 513 O VAL A 35 -13.754 -5.564 -8.811 1.00 0.00 O ATOM 514 CB VAL A 35 -15.803 -4.194 -6.575 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.836 -3.066 -6.973 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.244 -3.750 -6.273 1.00 0.00 C ATOM 0 H VAL A 35 -17.274 -6.169 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.100 -4.675 -8.612 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.437 -4.609 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.802 -2.319 -6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.839 -3.479 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.181 -2.599 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.238 -3.025 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.678 -3.293 -7.162 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.839 -4.616 -5.984 1.00 0.00 H new ATOM 526 N MET A 36 -14.126 -6.588 -6.797 1.00 0.00 N ATOM 527 CA MET A 36 -12.951 -7.400 -6.868 1.00 0.00 C ATOM 528 C MET A 36 -12.821 -8.250 -8.085 1.00 0.00 C ATOM 529 O MET A 36 -11.743 -8.479 -8.629 1.00 0.00 O ATOM 530 CB MET A 36 -12.907 -8.113 -5.505 1.00 0.00 C ATOM 531 CG MET A 36 -12.727 -7.117 -4.358 1.00 0.00 C ATOM 532 SD MET A 36 -11.756 -7.829 -2.996 1.00 0.00 S ATOM 533 CE MET A 36 -11.511 -6.190 -2.253 1.00 0.00 C ATOM 0 H MET A 36 -14.672 -6.692 -5.941 1.00 0.00 H new ATOM 0 HA MET A 36 -12.050 -6.805 -7.019 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.828 -8.677 -5.358 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.088 -8.833 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.230 -6.220 -4.729 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.704 -6.809 -3.986 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.331 -6.299 -1.183 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.653 -5.704 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.402 -5.582 -2.411 1.00 0.00 H new ATOM 543 N ARG A 37 -13.907 -8.894 -8.548 1.00 0.00 N ATOM 544 CA ARG A 37 -13.942 -9.699 -9.730 1.00 0.00 C ATOM 545 C ARG A 37 -13.585 -8.894 -10.932 1.00 0.00 C ATOM 546 O ARG A 37 -12.690 -9.279 -11.682 1.00 0.00 O ATOM 547 CB ARG A 37 -15.221 -10.492 -10.047 1.00 0.00 C ATOM 548 CG ARG A 37 -15.434 -11.713 -9.150 1.00 0.00 C ATOM 549 CD ARG A 37 -14.302 -12.737 -9.046 1.00 0.00 C ATOM 550 NE ARG A 37 -14.145 -13.269 -10.429 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.061 -13.143 -11.249 1.00 0.00 C ATOM 552 NH1 ARG A 37 -11.907 -12.493 -10.919 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.257 -13.569 -12.530 1.00 0.00 N ATOM 0 H ARG A 37 -14.808 -8.851 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.204 -10.463 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.081 -9.829 -9.951 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.185 -10.819 -11.086 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.652 -11.354 -8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -16.324 -12.234 -9.502 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.381 -12.274 -8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.550 -13.531 -8.342 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.939 -13.787 -10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.811 -12.058 -10.002 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.140 -12.443 -11.590 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.163 -13.946 -12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.498 -13.510 -13.209 1.00 0.00 H new ATOM 567 N SER A 38 -14.210 -7.712 -11.077 1.00 0.00 N ATOM 568 CA SER A 38 -13.920 -6.774 -12.117 1.00 0.00 C ATOM 569 C SER A 38 -12.542 -6.207 -12.149 1.00 0.00 C ATOM 570 O SER A 38 -11.980 -5.978 -13.219 1.00 0.00 O ATOM 571 CB SER A 38 -14.971 -5.661 -12.265 1.00 0.00 C ATOM 572 OG SER A 38 -15.198 -4.914 -11.079 1.00 0.00 O ATOM 0 H SER A 38 -14.946 -7.397 -10.445 1.00 0.00 H new ATOM 0 HA SER A 38 -13.975 -7.419 -12.994 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.654 -4.980 -13.055 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.913 -6.106 -12.587 1.00 0.00 H new ATOM 0 HG SER A 38 -14.634 -5.265 -10.359 1.00 0.00 H new ATOM 578 N LEU A 39 -11.905 -5.939 -10.996 1.00 0.00 N ATOM 579 CA LEU A 39 -10.543 -5.583 -10.746 1.00 0.00 C ATOM 580 C LEU A 39 -9.548 -6.681 -10.905 1.00 0.00 C ATOM 581 O LEU A 39 -8.345 -6.427 -10.857 1.00 0.00 O ATOM 582 CB LEU A 39 -10.345 -5.125 -9.291 1.00 0.00 C ATOM 583 CG LEU A 39 -10.969 -3.772 -8.911 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.835 -3.551 -7.395 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.290 -2.688 -9.765 1.00 0.00 C ATOM 0 H LEU A 39 -12.424 -5.979 -10.119 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.367 -4.809 -11.493 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.758 -5.889 -8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.275 -5.076 -9.090 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.038 -3.736 -9.121 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.278 -2.592 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.352 -4.350 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.781 -3.554 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.712 -1.714 -9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.219 -2.682 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.457 -2.899 -10.821 1.00 0.00 H new ATOM 597 N GLY A 40 -10.008 -7.911 -11.194 1.00 0.00 N ATOM 598 CA GLY A 40 -9.180 -9.062 -11.378 1.00 0.00 C ATOM 599 C GLY A 40 -8.764 -9.901 -10.219 1.00 0.00 C ATOM 600 O GLY A 40 -7.744 -10.568 -10.388 1.00 0.00 O ATOM 0 H GLY A 40 -11.002 -8.112 -11.304 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.697 -9.718 -12.078 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.269 -8.724 -11.871 1.00 0.00 H new ATOM 604 N GLN A 41 -9.485 -9.901 -9.084 1.00 0.00 N ATOM 605 CA GLN A 41 -9.171 -10.595 -7.874 1.00 0.00 C ATOM 606 C GLN A 41 -10.101 -11.745 -7.692 1.00 0.00 C ATOM 607 O GLN A 41 -11.173 -11.967 -8.253 1.00 0.00 O ATOM 608 CB GLN A 41 -9.299 -9.719 -6.616 1.00 0.00 C ATOM 609 CG GLN A 41 -8.429 -8.461 -6.566 1.00 0.00 C ATOM 610 CD GLN A 41 -8.682 -7.486 -5.426 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.834 -6.276 -5.587 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.846 -8.047 -4.198 1.00 0.00 N ATOM 0 H GLN A 41 -10.355 -9.374 -9.008 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.133 -10.912 -7.979 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.341 -9.417 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.061 -10.333 -5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.386 -8.773 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.558 -7.923 -7.505 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.718 -9.051 -4.075 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.097 -7.463 -3.400 1.00 0.00 H new ATOM 621 N ASN A 42 -9.732 -12.674 -6.792 1.00 0.00 N ATOM 622 CA ASN A 42 -10.458 -13.875 -6.519 1.00 0.00 C ATOM 623 C ASN A 42 -10.595 -13.979 -5.039 1.00 0.00 C ATOM 624 O ASN A 42 -9.823 -14.658 -4.365 1.00 0.00 O ATOM 625 CB ASN A 42 -9.762 -15.114 -7.108 1.00 0.00 C ATOM 626 CG ASN A 42 -9.555 -14.905 -8.602 1.00 0.00 C ATOM 627 OD1 ASN A 42 -10.500 -14.893 -9.388 1.00 0.00 O ATOM 628 ND2 ASN A 42 -8.281 -14.829 -9.071 1.00 0.00 N ATOM 0 H ASN A 42 -8.887 -12.583 -6.228 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.439 -13.835 -6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.804 -15.277 -6.615 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.367 -16.004 -6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.110 -14.762 -10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.496 -14.839 -8.419 1.00 0.00 H new ATOM 635 N PRO A 43 -11.504 -13.319 -4.385 1.00 0.00 N ATOM 636 CA PRO A 43 -11.675 -13.460 -2.968 1.00 0.00 C ATOM 637 C PRO A 43 -12.350 -14.728 -2.571 1.00 0.00 C ATOM 638 O PRO A 43 -13.055 -15.346 -3.366 1.00 0.00 O ATOM 639 CB PRO A 43 -12.494 -12.282 -2.446 1.00 0.00 C ATOM 640 CG PRO A 43 -12.745 -11.432 -3.702 1.00 0.00 C ATOM 641 CD PRO A 43 -12.424 -12.323 -4.912 1.00 0.00 C ATOM 0 HA PRO A 43 -10.676 -13.482 -2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.428 -12.613 -1.992 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.951 -11.722 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.779 -11.090 -3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.115 -10.542 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.324 -12.786 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.970 -11.749 -5.720 1.00 0.00 H new ATOM 649 N THR A 44 -12.077 -15.141 -1.320 1.00 0.00 N ATOM 650 CA THR A 44 -12.958 -15.983 -0.573 1.00 0.00 C ATOM 651 C THR A 44 -13.907 -15.031 0.069 1.00 0.00 C ATOM 652 O THR A 44 -13.724 -13.815 0.059 1.00 0.00 O ATOM 653 CB THR A 44 -12.361 -16.926 0.430 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.748 -16.236 1.509 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.264 -17.827 -0.163 1.00 0.00 C ATOM 0 H THR A 44 -11.227 -14.885 -0.818 1.00 0.00 H new ATOM 0 HA THR A 44 -13.408 -16.699 -1.261 1.00 0.00 H new ATOM 0 HB THR A 44 -13.208 -17.526 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.373 -16.884 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.874 -18.485 0.614 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.683 -18.428 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.456 -17.208 -0.554 1.00 0.00 H new ATOM 663 N GLU A 45 -14.992 -15.533 0.685 1.00 0.00 N ATOM 664 CA GLU A 45 -15.942 -14.706 1.363 1.00 0.00 C ATOM 665 C GLU A 45 -15.493 -14.345 2.737 1.00 0.00 C ATOM 666 O GLU A 45 -15.845 -13.294 3.271 1.00 0.00 O ATOM 667 CB GLU A 45 -17.368 -15.263 1.211 1.00 0.00 C ATOM 668 CG GLU A 45 -18.376 -14.142 1.475 1.00 0.00 C ATOM 669 CD GLU A 45 -19.822 -14.331 1.040 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.994 -14.818 -0.109 1.00 0.00 O ATOM 671 OE2 GLU A 45 -20.736 -14.050 1.861 1.00 0.00 O ATOM 0 H GLU A 45 -15.214 -16.528 0.713 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.996 -13.733 0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.509 -15.666 0.208 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.527 -16.084 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.378 -13.947 2.548 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.001 -13.241 0.988 1.00 0.00 H new ATOM 678 N ALA A 46 -14.625 -15.145 3.381 1.00 0.00 N ATOM 679 CA ALA A 46 -14.102 -14.716 4.641 1.00 0.00 C ATOM 680 C ALA A 46 -13.011 -13.706 4.536 1.00 0.00 C ATOM 681 O ALA A 46 -12.619 -13.181 5.576 1.00 0.00 O ATOM 682 CB ALA A 46 -13.768 -15.956 5.487 1.00 0.00 C ATOM 0 H ALA A 46 -14.296 -16.051 3.048 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.870 -14.152 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.368 -15.642 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.672 -16.544 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.027 -16.562 4.967 1.00 0.00 H new ATOM 688 N GLU A 47 -12.459 -13.270 3.389 1.00 0.00 N ATOM 689 CA GLU A 47 -11.661 -12.084 3.350 1.00 0.00 C ATOM 690 C GLU A 47 -12.474 -10.864 3.083 1.00 0.00 C ATOM 691 O GLU A 47 -12.138 -9.753 3.490 1.00 0.00 O ATOM 692 CB GLU A 47 -10.517 -12.144 2.325 1.00 0.00 C ATOM 693 CG GLU A 47 -10.945 -12.643 0.943 1.00 0.00 C ATOM 694 CD GLU A 47 -9.701 -12.659 0.066 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.028 -11.605 -0.087 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.294 -13.746 -0.426 1.00 0.00 O ATOM 0 H GLU A 47 -12.565 -13.739 2.489 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.224 -12.023 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.082 -11.150 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.733 -12.797 2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.380 -13.640 1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.708 -11.991 0.517 1.00 0.00 H new ATOM 703 N LEU A 48 -13.633 -10.944 2.405 1.00 0.00 N ATOM 704 CA LEU A 48 -14.532 -9.839 2.278 1.00 0.00 C ATOM 705 C LEU A 48 -15.263 -9.512 3.534 1.00 0.00 C ATOM 706 O LEU A 48 -15.311 -8.342 3.910 1.00 0.00 O ATOM 707 CB LEU A 48 -15.614 -10.170 1.237 1.00 0.00 C ATOM 708 CG LEU A 48 -15.039 -10.130 -0.189 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.075 -10.891 -1.033 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.833 -8.681 -0.663 1.00 0.00 C ATOM 0 H LEU A 48 -13.952 -11.792 1.936 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.908 -8.991 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.027 -11.158 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.435 -9.458 1.322 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.051 -10.585 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.750 -10.915 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.171 -11.910 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.039 -10.387 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.426 -8.683 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.789 -8.157 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.138 -8.174 0.007 1.00 0.00 H new ATOM 722 N GLN A 49 -15.752 -10.542 4.248 1.00 0.00 N ATOM 723 CA GLN A 49 -16.362 -10.458 5.538 1.00 0.00 C ATOM 724 C GLN A 49 -15.495 -9.734 6.510 1.00 0.00 C ATOM 725 O GLN A 49 -15.916 -8.781 7.163 1.00 0.00 O ATOM 726 CB GLN A 49 -16.869 -11.842 5.979 1.00 0.00 C ATOM 727 CG GLN A 49 -17.531 -11.835 7.358 1.00 0.00 C ATOM 728 CD GLN A 49 -17.973 -13.264 7.642 1.00 0.00 C ATOM 729 OE1 GLN A 49 -17.365 -14.231 7.186 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.065 -13.403 8.440 1.00 0.00 N ATOM 0 H GLN A 49 -15.718 -11.499 3.898 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.256 -9.836 5.490 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.584 -12.211 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.033 -12.541 5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.833 -11.488 8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.384 -11.156 7.374 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.543 -12.576 8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.406 -14.334 8.680 1.00 0.00 H new ATOM 739 N ASP A 50 -14.209 -10.121 6.436 1.00 0.00 N ATOM 740 CA ASP A 50 -13.228 -9.627 7.352 1.00 0.00 C ATOM 741 C ASP A 50 -12.988 -8.166 7.183 1.00 0.00 C ATOM 742 O ASP A 50 -13.202 -7.380 8.104 1.00 0.00 O ATOM 743 CB ASP A 50 -11.957 -10.475 7.181 1.00 0.00 C ATOM 744 CG ASP A 50 -10.956 -10.072 8.254 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.016 -10.713 9.338 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.062 -9.221 8.003 1.00 0.00 O ATOM 0 H ASP A 50 -13.848 -10.776 5.742 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.586 -9.726 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.196 -11.535 7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.531 -10.322 6.190 1.00 0.00 H new ATOM 751 N MET A 51 -12.767 -7.698 5.942 1.00 0.00 N ATOM 752 CA MET A 51 -12.751 -6.323 5.547 1.00 0.00 C ATOM 753 C MET A 51 -13.929 -5.502 5.944 1.00 0.00 C ATOM 754 O MET A 51 -13.879 -4.370 6.422 1.00 0.00 O ATOM 755 CB MET A 51 -12.404 -6.050 4.074 1.00 0.00 C ATOM 756 CG MET A 51 -11.905 -4.669 3.644 1.00 0.00 C ATOM 757 SD MET A 51 -12.151 -4.440 1.858 1.00 0.00 S ATOM 758 CE MET A 51 -10.409 -4.771 1.466 1.00 0.00 C ATOM 0 H MET A 51 -12.587 -8.326 5.159 1.00 0.00 H new ATOM 0 HA MET A 51 -11.911 -5.984 6.153 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.643 -6.774 3.782 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.295 -6.269 3.486 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.439 -3.894 4.194 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.848 -4.564 3.889 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.262 -4.714 0.388 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.778 -4.031 1.958 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.140 -5.767 1.817 1.00 0.00 H new ATOM 768 N ILE A 52 -15.137 -6.076 5.803 1.00 0.00 N ATOM 769 CA ILE A 52 -16.417 -5.482 6.036 1.00 0.00 C ATOM 770 C ILE A 52 -16.643 -5.277 7.494 1.00 0.00 C ATOM 771 O ILE A 52 -16.760 -4.140 7.948 1.00 0.00 O ATOM 772 CB ILE A 52 -17.530 -6.245 5.381 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.494 -5.952 3.871 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.910 -5.853 5.936 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.648 -6.618 3.123 1.00 0.00 C ATOM 0 H ILE A 52 -15.223 -7.045 5.498 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.419 -4.500 5.563 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.384 -7.306 5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.534 -4.875 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.547 -6.300 3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.683 -6.432 5.431 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.944 -6.058 7.006 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.083 -4.790 5.765 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.578 -6.381 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.594 -7.698 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.596 -6.250 3.515 1.00 0.00 H new ATOM 787 N ASN A 53 -16.452 -6.300 8.346 1.00 0.00 N ATOM 788 CA ASN A 53 -16.588 -6.214 9.767 1.00 0.00 C ATOM 789 C ASN A 53 -15.520 -5.389 10.400 1.00 0.00 C ATOM 790 O ASN A 53 -15.748 -4.932 11.519 1.00 0.00 O ATOM 791 CB ASN A 53 -16.501 -7.615 10.395 1.00 0.00 C ATOM 792 CG ASN A 53 -17.703 -8.500 10.097 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.730 -8.132 9.530 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.610 -9.793 10.508 1.00 0.00 N ATOM 0 H ASN A 53 -16.190 -7.233 8.028 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.557 -5.748 9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.600 -8.109 10.033 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.396 -7.512 11.475 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.384 -10.437 10.344 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.767 -10.119 10.980 1.00 0.00 H new ATOM 801 N GLU A 54 -14.358 -5.172 9.759 1.00 0.00 N ATOM 802 CA GLU A 54 -13.306 -4.332 10.242 1.00 0.00 C ATOM 803 C GLU A 54 -13.767 -2.915 10.222 1.00 0.00 C ATOM 804 O GLU A 54 -13.539 -2.219 11.211 1.00 0.00 O ATOM 805 CB GLU A 54 -11.982 -4.629 9.520 1.00 0.00 C ATOM 806 CG GLU A 54 -10.820 -3.873 10.168 1.00 0.00 C ATOM 807 CD GLU A 54 -9.435 -4.010 9.551 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.089 -4.845 8.673 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.525 -3.327 10.091 1.00 0.00 O ATOM 0 H GLU A 54 -14.142 -5.603 8.860 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.073 -4.548 11.285 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.782 -5.700 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.065 -4.345 8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.077 -2.814 10.177 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.754 -4.193 11.208 1.00 0.00 H new ATOM 816 N VAL A 55 -14.500 -2.455 9.193 1.00 0.00 N ATOM 817 CA VAL A 55 -14.987 -1.113 9.110 1.00 0.00 C ATOM 818 C VAL A 55 -16.390 -0.941 9.582 1.00 0.00 C ATOM 819 O VAL A 55 -17.004 0.121 9.495 1.00 0.00 O ATOM 820 CB VAL A 55 -14.780 -0.528 7.745 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.257 -0.502 7.536 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.612 -1.382 6.773 1.00 0.00 C ATOM 0 H VAL A 55 -14.762 -3.034 8.395 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.379 -0.544 9.814 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.123 0.495 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.031 -0.085 6.555 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.794 0.114 8.307 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.864 -1.517 7.598 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.496 -0.997 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.267 -2.415 6.810 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.663 -1.340 7.059 1.00 0.00 H new ATOM 832 N ASP A 56 -16.930 -1.951 10.286 1.00 0.00 N ATOM 833 CA ASP A 56 -18.337 -1.974 10.543 1.00 0.00 C ATOM 834 C ASP A 56 -18.613 -1.389 11.886 1.00 0.00 C ATOM 835 O ASP A 56 -18.515 -2.001 12.948 1.00 0.00 O ATOM 836 CB ASP A 56 -18.928 -3.369 10.280 1.00 0.00 C ATOM 837 CG ASP A 56 -20.422 -3.429 10.563 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.136 -2.414 10.350 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.888 -4.518 10.993 1.00 0.00 O ATOM 0 H ASP A 56 -16.406 -2.737 10.671 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.868 -1.335 9.838 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.746 -3.648 9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.413 -4.102 10.902 1.00 0.00 H new ATOM 844 N ALA A 57 -18.856 -0.067 11.925 1.00 0.00 N ATOM 845 CA ALA A 57 -18.997 0.697 13.125 1.00 0.00 C ATOM 846 C ALA A 57 -20.331 0.410 13.724 1.00 0.00 C ATOM 847 O ALA A 57 -20.427 0.221 14.936 1.00 0.00 O ATOM 848 CB ALA A 57 -18.857 2.187 12.768 1.00 0.00 C ATOM 0 H ALA A 57 -18.959 0.495 11.080 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.230 0.434 13.853 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.962 2.789 13.671 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.877 2.364 12.325 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.633 2.465 12.055 1.00 0.00 H new ATOM 854 N ASP A 58 -21.435 0.364 12.958 1.00 0.00 N ATOM 855 CA ASP A 58 -22.711 -0.005 13.489 1.00 0.00 C ATOM 856 C ASP A 58 -23.078 -1.403 13.852 1.00 0.00 C ATOM 857 O ASP A 58 -23.947 -1.600 14.700 1.00 0.00 O ATOM 858 CB ASP A 58 -23.789 0.617 12.586 1.00 0.00 C ATOM 859 CG ASP A 58 -23.629 0.043 11.185 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.893 -1.177 11.011 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.268 0.757 10.212 1.00 0.00 O ATOM 0 H ASP A 58 -21.444 0.584 11.962 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.632 0.386 14.503 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.783 0.397 12.975 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.687 1.702 12.566 1.00 0.00 H new ATOM 866 N GLY A 59 -22.379 -2.395 13.272 1.00 0.00 N ATOM 867 CA GLY A 59 -22.661 -3.769 13.554 1.00 0.00 C ATOM 868 C GLY A 59 -23.653 -4.476 12.697 1.00 0.00 C ATOM 869 O GLY A 59 -24.060 -5.580 13.056 1.00 0.00 O ATOM 0 H GLY A 59 -21.619 -2.246 12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.722 -4.319 13.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.008 -3.832 14.585 1.00 0.00 H new ATOM 873 N ASN A 60 -24.037 -3.933 11.528 1.00 0.00 N ATOM 874 CA ASN A 60 -24.887 -4.627 10.611 1.00 0.00 C ATOM 875 C ASN A 60 -24.276 -5.782 9.895 1.00 0.00 C ATOM 876 O ASN A 60 -24.926 -6.735 9.469 1.00 0.00 O ATOM 877 CB ASN A 60 -25.726 -3.723 9.693 1.00 0.00 C ATOM 878 CG ASN A 60 -24.922 -2.896 8.699 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.696 -2.884 8.798 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.548 -1.960 7.937 1.00 0.00 N ATOM 0 H ASN A 60 -23.755 -3.004 11.216 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.602 -5.091 11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.430 -4.345 9.140 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.315 -3.047 10.313 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.001 -1.250 7.449 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.565 -1.967 7.853 1.00 0.00 H new ATOM 887 N GLY A 61 -22.940 -5.736 9.744 1.00 0.00 N ATOM 888 CA GLY A 61 -22.339 -6.612 8.787 1.00 0.00 C ATOM 889 C GLY A 61 -22.208 -6.230 7.353 1.00 0.00 C ATOM 890 O GLY A 61 -21.713 -7.050 6.581 1.00 0.00 O ATOM 0 H GLY A 61 -22.303 -5.125 10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.335 -6.834 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.901 -7.545 8.816 1.00 0.00 H new ATOM 894 N THR A 62 -22.750 -5.045 7.019 1.00 0.00 N ATOM 895 CA THR A 62 -22.624 -4.512 5.698 1.00 0.00 C ATOM 896 C THR A 62 -21.892 -3.216 5.752 1.00 0.00 C ATOM 897 O THR A 62 -21.695 -2.614 6.807 1.00 0.00 O ATOM 898 CB THR A 62 -23.774 -4.524 4.735 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.790 -3.636 5.178 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.412 -5.923 4.704 1.00 0.00 C ATOM 0 H THR A 62 -23.276 -4.456 7.664 1.00 0.00 H new ATOM 0 HA THR A 62 -22.048 -5.288 5.194 1.00 0.00 H new ATOM 0 HB THR A 62 -23.393 -4.234 3.756 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.533 -3.249 6.041 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.247 -5.927 4.003 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.669 -6.655 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.773 -6.180 5.700 1.00 0.00 H new ATOM 908 N ILE A 63 -21.378 -2.740 4.603 1.00 0.00 N ATOM 909 CA ILE A 63 -20.727 -1.476 4.454 1.00 0.00 C ATOM 910 C ILE A 63 -21.748 -0.450 4.099 1.00 0.00 C ATOM 911 O ILE A 63 -22.277 -0.396 2.990 1.00 0.00 O ATOM 912 CB ILE A 63 -19.632 -1.346 3.437 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.945 -2.685 3.123 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.577 -0.359 3.964 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.030 -2.715 1.899 1.00 0.00 C ATOM 0 H ILE A 63 -21.420 -3.267 3.731 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.239 -1.346 5.420 1.00 0.00 H new ATOM 0 HB ILE A 63 -20.088 -0.989 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.359 -2.979 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.718 -3.441 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.776 -0.257 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.040 0.613 4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.166 -0.732 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.607 -3.713 1.785 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.605 -2.461 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.225 -1.992 2.029 1.00 0.00 H new ATOM 927 N ASP A 64 -21.908 0.451 5.084 1.00 0.00 N ATOM 928 CA ASP A 64 -22.683 1.626 4.832 1.00 0.00 C ATOM 929 C ASP A 64 -21.776 2.663 4.264 1.00 0.00 C ATOM 930 O ASP A 64 -20.559 2.501 4.336 1.00 0.00 O ATOM 931 CB ASP A 64 -23.328 2.175 6.116 1.00 0.00 C ATOM 932 CG ASP A 64 -24.216 1.134 6.783 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.623 0.131 7.262 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.433 1.370 7.010 1.00 0.00 O ATOM 0 H ASP A 64 -21.517 0.373 6.023 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.486 1.372 4.140 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.549 2.489 6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.918 3.060 5.878 1.00 0.00 H new ATOM 939 N PHE A 65 -22.280 3.752 3.656 1.00 0.00 N ATOM 940 CA PHE A 65 -21.515 4.835 3.122 1.00 0.00 C ATOM 941 C PHE A 65 -20.438 5.341 4.018 1.00 0.00 C ATOM 942 O PHE A 65 -19.284 5.414 3.597 1.00 0.00 O ATOM 943 CB PHE A 65 -22.425 5.817 2.364 1.00 0.00 C ATOM 944 CG PHE A 65 -21.807 6.978 1.664 1.00 0.00 C ATOM 945 CD1 PHE A 65 -21.028 6.790 0.546 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.123 8.263 2.036 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.360 7.878 0.036 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.516 9.373 1.496 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.661 9.157 0.441 1.00 0.00 C ATOM 0 H PHE A 65 -23.284 3.883 3.530 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.855 4.475 2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.983 5.244 1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.151 6.210 3.076 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.944 5.818 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.884 8.408 2.788 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.583 7.725 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.702 10.365 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.222 9.999 -0.074 1.00 0.00 H new ATOM 959 N PRO A 66 -20.618 5.728 5.246 1.00 0.00 N ATOM 960 CA PRO A 66 -19.576 6.384 5.982 1.00 0.00 C ATOM 961 C PRO A 66 -18.419 5.500 6.296 1.00 0.00 C ATOM 962 O PRO A 66 -17.300 5.996 6.421 1.00 0.00 O ATOM 963 CB PRO A 66 -20.214 6.853 7.288 1.00 0.00 C ATOM 964 CG PRO A 66 -21.641 6.282 7.292 1.00 0.00 C ATOM 965 CD PRO A 66 -21.931 6.006 5.808 1.00 0.00 C ATOM 0 HA PRO A 66 -19.174 7.197 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.649 6.496 8.149 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.229 7.941 7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.706 5.372 7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.354 6.990 7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.607 5.161 5.683 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.400 6.864 5.325 1.00 0.00 H new ATOM 973 N GLU A 67 -18.645 4.174 6.273 1.00 0.00 N ATOM 974 CA GLU A 67 -17.676 3.143 6.474 1.00 0.00 C ATOM 975 C GLU A 67 -16.924 2.871 5.217 1.00 0.00 C ATOM 976 O GLU A 67 -15.829 2.315 5.290 1.00 0.00 O ATOM 977 CB GLU A 67 -18.248 1.812 6.991 1.00 0.00 C ATOM 978 CG GLU A 67 -19.112 1.975 8.243 1.00 0.00 C ATOM 979 CD GLU A 67 -20.109 0.852 8.489 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.449 0.073 7.559 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.605 0.739 9.642 1.00 0.00 O ATOM 0 H GLU A 67 -19.577 3.796 6.101 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.021 3.535 7.252 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.843 1.349 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.426 1.131 7.211 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.457 2.055 9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.658 2.915 8.169 1.00 0.00 H new ATOM 988 N PHE A 68 -17.381 3.350 4.046 1.00 0.00 N ATOM 989 CA PHE A 68 -16.772 3.118 2.773 1.00 0.00 C ATOM 990 C PHE A 68 -15.824 4.258 2.626 1.00 0.00 C ATOM 991 O PHE A 68 -14.701 4.084 2.155 1.00 0.00 O ATOM 992 CB PHE A 68 -17.817 3.049 1.647 1.00 0.00 C ATOM 993 CG PHE A 68 -17.222 2.766 0.311 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.772 1.500 0.016 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.042 3.764 -0.617 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.157 1.269 -1.192 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.326 3.542 -1.770 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.986 2.260 -2.130 1.00 0.00 C ATOM 0 H PHE A 68 -18.219 3.929 3.985 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.261 2.157 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.547 2.275 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.358 3.994 1.604 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.900 0.696 0.726 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.470 4.739 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.796 0.275 -1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.031 4.374 -2.392 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.599 2.039 -3.114 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.186 5.457 3.117 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.319 6.586 3.248 1.00 0.00 C ATOM 1010 C LEU A 69 -14.233 6.286 4.223 1.00 0.00 C ATOM 1011 O LEU A 69 -13.095 6.600 3.879 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.112 7.868 3.553 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.397 7.996 2.718 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.186 9.203 3.255 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.081 8.124 1.218 1.00 0.00 C ATOM 0 H LEU A 69 -17.135 5.648 3.440 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.827 6.783 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.371 7.885 4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.477 8.734 3.366 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.004 7.095 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.106 9.321 2.682 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.431 9.040 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.581 10.105 3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.011 8.213 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.469 9.010 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.538 7.240 0.884 1.00 0.00 H new ATOM 1027 N THR A 70 -14.408 5.696 5.419 1.00 0.00 N ATOM 1028 CA THR A 70 -13.455 5.168 6.346 1.00 0.00 C ATOM 1029 C THR A 70 -12.447 4.322 5.648 1.00 0.00 C ATOM 1030 O THR A 70 -11.247 4.595 5.648 1.00 0.00 O ATOM 1031 CB THR A 70 -14.102 4.510 7.528 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.726 5.578 8.226 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.007 3.899 8.418 1.00 0.00 C ATOM 0 H THR A 70 -15.354 5.575 5.782 1.00 0.00 H new ATOM 0 HA THR A 70 -12.903 6.004 6.776 1.00 0.00 H new ATOM 0 HB THR A 70 -14.801 3.722 7.248 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.550 5.835 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.466 3.418 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.444 3.160 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.333 4.686 8.757 1.00 0.00 H new ATOM 1041 N MET A 71 -12.882 3.316 4.868 1.00 0.00 N ATOM 1042 CA MET A 71 -12.123 2.395 4.081 1.00 0.00 C ATOM 1043 C MET A 71 -11.281 3.096 3.071 1.00 0.00 C ATOM 1044 O MET A 71 -10.068 2.895 3.064 1.00 0.00 O ATOM 1045 CB MET A 71 -12.981 1.322 3.388 1.00 0.00 C ATOM 1046 CG MET A 71 -12.213 0.198 2.690 1.00 0.00 C ATOM 1047 SD MET A 71 -13.190 -1.094 1.865 1.00 0.00 S ATOM 1048 CE MET A 71 -14.362 -1.685 3.120 1.00 0.00 C ATOM 0 H MET A 71 -13.881 3.130 4.782 1.00 0.00 H new ATOM 0 HA MET A 71 -11.478 1.881 4.793 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.641 0.877 4.132 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.617 1.813 2.651 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.556 0.650 1.947 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.574 -0.284 3.430 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.939 -2.517 2.716 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.814 -2.018 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.037 -0.876 3.397 1.00 0.00 H new ATOM 1058 N MET A 72 -11.883 3.874 2.153 1.00 0.00 N ATOM 1059 CA MET A 72 -11.165 4.583 1.140 1.00 0.00 C ATOM 1060 C MET A 72 -10.235 5.642 1.623 1.00 0.00 C ATOM 1061 O MET A 72 -9.153 5.812 1.063 1.00 0.00 O ATOM 1062 CB MET A 72 -12.211 5.195 0.193 1.00 0.00 C ATOM 1063 CG MET A 72 -12.790 4.098 -0.703 1.00 0.00 C ATOM 1064 SD MET A 72 -11.584 3.201 -1.726 1.00 0.00 S ATOM 1065 CE MET A 72 -12.051 1.501 -1.289 1.00 0.00 C ATOM 0 H MET A 72 -12.893 4.013 2.114 1.00 0.00 H new ATOM 0 HA MET A 72 -10.509 3.863 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.007 5.667 0.769 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.754 5.974 -0.417 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.312 3.378 -0.073 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.535 4.546 -1.360 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.336 0.804 -1.726 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.049 1.390 -0.205 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.048 1.287 -1.674 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.574 6.412 2.673 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.707 7.318 3.361 1.00 0.00 C ATOM 1077 C ALA A 73 -8.376 6.843 3.834 1.00 0.00 C ATOM 1078 O ALA A 73 -7.348 7.500 3.679 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.441 8.021 4.515 1.00 0.00 C ATOM 0 H ALA A 73 -11.515 6.400 3.066 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.445 8.000 2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.757 8.703 5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.287 8.582 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.800 7.276 5.225 1.00 0.00 H new ATOM 1234 N GLU A 83 2.549 1.744 -3.420 1.00 0.00 N ATOM 1235 CA GLU A 83 3.434 1.426 -4.498 1.00 0.00 C ATOM 1236 C GLU A 83 4.831 1.035 -4.158 1.00 0.00 C ATOM 1237 O GLU A 83 5.382 0.228 -4.905 1.00 0.00 O ATOM 1238 CB GLU A 83 3.418 2.530 -5.568 1.00 0.00 C ATOM 1239 CG GLU A 83 2.120 2.686 -6.364 1.00 0.00 C ATOM 1240 CD GLU A 83 2.127 1.837 -7.627 1.00 0.00 C ATOM 1241 OE1 GLU A 83 1.820 0.626 -7.463 1.00 0.00 O ATOM 1242 OE2 GLU A 83 2.322 2.354 -8.759 1.00 0.00 O ATOM 0 HA GLU A 83 3.012 0.500 -4.889 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.637 3.481 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.229 2.337 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.274 2.401 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.981 3.734 -6.631 1.00 0.00 H new ATOM 1249 N GLU A 84 5.453 1.634 -3.127 1.00 0.00 N ATOM 1250 CA GLU A 84 6.795 1.395 -2.694 1.00 0.00 C ATOM 1251 C GLU A 84 6.919 0.046 -2.074 1.00 0.00 C ATOM 1252 O GLU A 84 7.916 -0.625 -2.335 1.00 0.00 O ATOM 1253 CB GLU A 84 7.273 2.394 -1.627 1.00 0.00 C ATOM 1254 CG GLU A 84 8.649 2.134 -1.012 1.00 0.00 C ATOM 1255 CD GLU A 84 8.925 3.321 -0.101 1.00 0.00 C ATOM 1256 OE1 GLU A 84 8.825 4.529 -0.446 1.00 0.00 O ATOM 1257 OE2 GLU A 84 9.295 3.082 1.080 1.00 0.00 O ATOM 0 H GLU A 84 4.983 2.336 -2.555 1.00 0.00 H new ATOM 0 HA GLU A 84 7.402 1.494 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.281 3.389 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.538 2.410 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.656 1.200 -0.451 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.413 2.048 -1.785 1.00 0.00 H new ATOM 1264 N ILE A 85 5.884 -0.444 -1.368 1.00 0.00 N ATOM 1265 CA ILE A 85 5.780 -1.802 -0.932 1.00 0.00 C ATOM 1266 C ILE A 85 5.352 -2.732 -2.014 1.00 0.00 C ATOM 1267 O ILE A 85 5.895 -3.835 -2.026 1.00 0.00 O ATOM 1268 CB ILE A 85 5.077 -2.018 0.375 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.548 -1.963 0.220 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.542 -0.876 1.294 1.00 0.00 C ATOM 1271 CD1 ILE A 85 2.703 -1.729 1.471 1.00 0.00 C ATOM 0 H ILE A 85 5.088 0.129 -1.090 1.00 0.00 H new ATOM 0 HA ILE A 85 6.808 -2.075 -0.692 1.00 0.00 H new ATOM 0 HB ILE A 85 5.315 -3.003 0.775 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.314 -1.172 -0.492 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.225 -2.902 -0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.064 -0.975 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.624 -0.924 1.415 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.268 0.082 0.851 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.647 -1.716 1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.884 -2.530 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.974 -0.773 1.920 1.00 0.00 H new ATOM 1283 N ARG A 86 4.576 -2.285 -3.018 1.00 0.00 N ATOM 1284 CA ARG A 86 4.443 -3.027 -4.233 1.00 0.00 C ATOM 1285 C ARG A 86 5.728 -3.288 -4.939 1.00 0.00 C ATOM 1286 O ARG A 86 6.037 -4.440 -5.241 1.00 0.00 O ATOM 1287 CB ARG A 86 3.390 -2.420 -5.176 1.00 0.00 C ATOM 1288 CG ARG A 86 2.722 -3.409 -6.133 1.00 0.00 C ATOM 1289 CD ARG A 86 1.466 -2.856 -6.810 1.00 0.00 C ATOM 1290 NE ARG A 86 0.868 -4.046 -7.477 1.00 0.00 N ATOM 1291 CZ ARG A 86 -0.063 -3.978 -8.473 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.539 -2.768 -8.889 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -0.404 -5.133 -9.117 1.00 0.00 N ATOM 0 H ARG A 86 4.044 -1.415 -2.989 1.00 0.00 H new ATOM 0 HA ARG A 86 4.083 -4.006 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.617 -1.945 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.863 -1.634 -5.764 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.440 -3.700 -6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.460 -4.313 -5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.781 -2.418 -6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.711 -2.075 -7.530 1.00 0.00 H new ATOM 0 HE ARG A 86 1.173 -4.970 -7.170 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.199 -1.910 -8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.235 -2.722 -9.634 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.034 -6.014 -8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.097 -5.114 -9.866 1.00 0.00 H new ATOM 1307 N GLU A 87 6.572 -2.271 -5.190 1.00 0.00 N ATOM 1308 CA GLU A 87 7.820 -2.571 -5.819 1.00 0.00 C ATOM 1309 C GLU A 87 8.748 -3.348 -4.950 1.00 0.00 C ATOM 1310 O GLU A 87 9.418 -4.241 -5.466 1.00 0.00 O ATOM 1311 CB GLU A 87 8.543 -1.303 -6.304 1.00 0.00 C ATOM 1312 CG GLU A 87 7.754 -0.506 -7.345 1.00 0.00 C ATOM 1313 CD GLU A 87 8.594 0.284 -8.338 1.00 0.00 C ATOM 1314 OE1 GLU A 87 9.175 1.334 -7.956 1.00 0.00 O ATOM 1315 OE2 GLU A 87 8.735 -0.250 -9.471 1.00 0.00 O ATOM 0 H GLU A 87 6.404 -1.289 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 87 7.554 -3.191 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.748 -0.662 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.507 -1.585 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.119 -1.196 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.093 0.186 -6.823 1.00 0.00 H new ATOM 1322 N ALA A 88 8.752 -3.195 -3.613 1.00 0.00 N ATOM 1323 CA ALA A 88 9.575 -3.960 -2.730 1.00 0.00 C ATOM 1324 C ALA A 88 9.173 -5.394 -2.694 1.00 0.00 C ATOM 1325 O ALA A 88 9.909 -6.348 -2.444 1.00 0.00 O ATOM 1326 CB ALA A 88 9.540 -3.409 -1.294 1.00 0.00 C ATOM 0 H ALA A 88 8.162 -2.516 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 88 10.587 -3.879 -3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.179 -4.019 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.899 -2.380 -1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.517 -3.437 -0.918 1.00 0.00 H new ATOM 1332 N PHE A 89 7.881 -5.725 -2.865 1.00 0.00 N ATOM 1333 CA PHE A 89 7.418 -7.076 -2.953 1.00 0.00 C ATOM 1334 C PHE A 89 7.874 -7.746 -4.203 1.00 0.00 C ATOM 1335 O PHE A 89 8.305 -8.896 -4.261 1.00 0.00 O ATOM 1336 CB PHE A 89 5.888 -7.220 -2.891 1.00 0.00 C ATOM 1337 CG PHE A 89 5.271 -8.572 -3.008 1.00 0.00 C ATOM 1338 CD1 PHE A 89 4.936 -9.052 -4.252 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.002 -9.337 -1.898 1.00 0.00 C ATOM 1340 CE1 PHE A 89 4.189 -10.194 -4.426 1.00 0.00 C ATOM 1341 CE2 PHE A 89 4.246 -10.473 -2.066 1.00 0.00 C ATOM 1342 CZ PHE A 89 3.834 -10.906 -3.304 1.00 0.00 C ATOM 0 H PHE A 89 7.136 -5.033 -2.944 1.00 0.00 H new ATOM 0 HA PHE A 89 7.853 -7.553 -2.075 1.00 0.00 H new ATOM 0 HB2 PHE A 89 5.558 -6.792 -1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 89 5.470 -6.601 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.272 -8.512 -5.125 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.373 -9.054 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.891 -10.521 -5.411 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.966 -11.046 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.235 -11.800 -3.395 1.00 0.00 H new ATOM 1352 N ARG A 90 7.936 -6.945 -5.282 1.00 0.00 N ATOM 1353 CA ARG A 90 8.511 -7.392 -6.512 1.00 0.00 C ATOM 1354 C ARG A 90 9.995 -7.515 -6.545 1.00 0.00 C ATOM 1355 O ARG A 90 10.512 -8.470 -7.123 1.00 0.00 O ATOM 1356 CB ARG A 90 7.986 -6.487 -7.640 1.00 0.00 C ATOM 1357 CG ARG A 90 8.332 -6.947 -9.057 1.00 0.00 C ATOM 1358 CD ARG A 90 7.666 -6.086 -10.133 1.00 0.00 C ATOM 1359 NE ARG A 90 8.606 -4.946 -10.322 1.00 0.00 N ATOM 1360 CZ ARG A 90 8.307 -3.627 -10.134 1.00 0.00 C ATOM 1361 NH1 ARG A 90 7.030 -3.210 -9.892 1.00 0.00 N ATOM 1362 NH2 ARG A 90 9.305 -2.704 -10.007 1.00 0.00 N ATOM 0 H ARG A 90 7.587 -5.987 -5.302 1.00 0.00 H new ATOM 0 HA ARG A 90 8.192 -8.426 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.902 -6.416 -7.553 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.384 -5.483 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.413 -6.918 -9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.023 -7.985 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.525 -6.644 -11.059 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.682 -5.742 -9.815 1.00 0.00 H new ATOM 0 HE ARG A 90 9.556 -5.170 -10.618 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.271 -3.890 -9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.835 -2.218 -9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.281 -2.998 -10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.075 -1.720 -9.867 1.00 0.00 H new ATOM 1376 N VAL A 91 10.650 -6.514 -5.929 1.00 0.00 N ATOM 1377 CA VAL A 91 12.073 -6.400 -5.847 1.00 0.00 C ATOM 1378 C VAL A 91 12.589 -7.484 -4.965 1.00 0.00 C ATOM 1379 O VAL A 91 13.637 -8.092 -5.177 1.00 0.00 O ATOM 1380 CB VAL A 91 12.609 -5.130 -5.255 1.00 0.00 C ATOM 1381 CG1 VAL A 91 13.998 -5.118 -4.595 1.00 0.00 C ATOM 1382 CG2 VAL A 91 12.615 -4.017 -6.317 1.00 0.00 C ATOM 0 H VAL A 91 10.163 -5.747 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 91 12.399 -6.444 -6.886 1.00 0.00 H new ATOM 0 HB VAL A 91 11.915 -4.985 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 91 14.216 -4.116 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.012 -5.823 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.752 -5.406 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.006 -3.098 -5.879 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.245 -4.316 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.598 -3.846 -6.671 1.00 0.00 H new ATOM 1392 N PHE A 92 11.770 -7.957 -4.008 1.00 0.00 N ATOM 1393 CA PHE A 92 11.998 -9.118 -3.204 1.00 0.00 C ATOM 1394 C PHE A 92 11.807 -10.384 -3.965 1.00 0.00 C ATOM 1395 O PHE A 92 12.711 -11.218 -3.940 1.00 0.00 O ATOM 1396 CB PHE A 92 11.154 -9.062 -1.919 1.00 0.00 C ATOM 1397 CG PHE A 92 11.557 -8.040 -0.913 1.00 0.00 C ATOM 1398 CD1 PHE A 92 12.636 -7.207 -1.091 1.00 0.00 C ATOM 1399 CD2 PHE A 92 10.788 -8.034 0.227 1.00 0.00 C ATOM 1400 CE1 PHE A 92 12.846 -6.235 -0.142 1.00 0.00 C ATOM 1401 CE2 PHE A 92 11.176 -7.213 1.259 1.00 0.00 C ATOM 1402 CZ PHE A 92 12.145 -6.263 1.040 1.00 0.00 C ATOM 0 H PHE A 92 10.889 -7.496 -3.781 1.00 0.00 H new ATOM 0 HA PHE A 92 13.046 -9.116 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.117 -8.878 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.187 -10.042 -1.444 1.00 0.00 H new ATOM 0 HD1 PHE A 92 13.292 -7.312 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.908 -8.654 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.563 -5.448 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.723 -7.314 2.234 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.358 -5.531 1.805 1.00 0.00 H new ATOM 1412 N ASP A 93 10.674 -10.624 -4.650 1.00 0.00 N ATOM 1413 CA ASP A 93 10.503 -11.946 -5.168 1.00 0.00 C ATOM 1414 C ASP A 93 11.194 -12.180 -6.467 1.00 0.00 C ATOM 1415 O ASP A 93 10.882 -11.577 -7.493 1.00 0.00 O ATOM 1416 CB ASP A 93 9.002 -12.254 -5.302 1.00 0.00 C ATOM 1417 CG ASP A 93 8.760 -13.756 -5.328 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.456 -14.522 -4.609 1.00 0.00 O ATOM 1419 OD2 ASP A 93 7.781 -14.171 -6.004 1.00 0.00 O ATOM 0 H ASP A 93 9.925 -9.957 -4.837 1.00 0.00 H new ATOM 0 HA ASP A 93 10.972 -12.624 -4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.459 -11.808 -4.469 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.613 -11.802 -6.215 1.00 0.00 H new ATOM 1424 N LYS A 94 12.247 -13.015 -6.529 1.00 0.00 N ATOM 1425 CA LYS A 94 13.077 -13.191 -7.680 1.00 0.00 C ATOM 1426 C LYS A 94 12.491 -13.871 -8.870 1.00 0.00 C ATOM 1427 O LYS A 94 12.684 -13.447 -10.009 1.00 0.00 O ATOM 1428 CB LYS A 94 14.388 -13.831 -7.193 1.00 0.00 C ATOM 1429 CG LYS A 94 15.486 -13.557 -8.223 1.00 0.00 C ATOM 1430 CD LYS A 94 16.457 -14.738 -8.276 1.00 0.00 C ATOM 1431 CE LYS A 94 17.270 -14.979 -7.003 1.00 0.00 C ATOM 1432 NZ LYS A 94 18.162 -13.846 -6.667 1.00 0.00 N ATOM 0 H LYS A 94 12.533 -13.594 -5.740 1.00 0.00 H new ATOM 0 HA LYS A 94 13.237 -12.201 -8.107 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.670 -13.421 -6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.256 -14.905 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 94 15.043 -13.395 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 94 16.023 -12.645 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.891 -15.642 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.149 -14.581 -9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.589 -15.158 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 94 17.868 -15.882 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.700 -14.071 -5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.821 -13.678 -7.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.592 -12.991 -6.505 1.00 0.00 H new ATOM 1446 N ASP A 95 11.719 -14.936 -8.593 1.00 0.00 N ATOM 1447 CA ASP A 95 10.889 -15.660 -9.505 1.00 0.00 C ATOM 1448 C ASP A 95 9.744 -14.874 -10.046 1.00 0.00 C ATOM 1449 O ASP A 95 9.698 -14.662 -11.256 1.00 0.00 O ATOM 1450 CB ASP A 95 10.660 -17.088 -8.981 1.00 0.00 C ATOM 1451 CG ASP A 95 9.637 -17.249 -7.866 1.00 0.00 C ATOM 1452 OD1 ASP A 95 9.394 -16.227 -7.170 1.00 0.00 O ATOM 1453 OD2 ASP A 95 9.170 -18.386 -7.590 1.00 0.00 O ATOM 0 H ASP A 95 11.673 -15.322 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 95 11.406 -15.822 -10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.352 -17.713 -9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 95 11.614 -17.478 -8.627 1.00 0.00 H new ATOM 1458 N GLY A 96 8.936 -14.296 -9.139 1.00 0.00 N ATOM 1459 CA GLY A 96 7.972 -13.270 -9.387 1.00 0.00 C ATOM 1460 C GLY A 96 6.642 -13.768 -9.840 1.00 0.00 C ATOM 1461 O GLY A 96 6.049 -13.319 -10.819 1.00 0.00 O ATOM 0 H GLY A 96 8.960 -14.569 -8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.837 -12.688 -8.475 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.368 -12.591 -10.142 1.00 0.00 H new ATOM 1465 N ASN A 97 6.069 -14.745 -9.115 1.00 0.00 N ATOM 1466 CA ASN A 97 5.058 -15.673 -9.516 1.00 0.00 C ATOM 1467 C ASN A 97 3.691 -15.384 -8.999 1.00 0.00 C ATOM 1468 O ASN A 97 2.759 -15.944 -9.576 1.00 0.00 O ATOM 1469 CB ASN A 97 5.598 -17.073 -9.179 1.00 0.00 C ATOM 1470 CG ASN A 97 5.565 -17.302 -7.674 1.00 0.00 C ATOM 1471 OD1 ASN A 97 6.277 -16.580 -6.979 1.00 0.00 O ATOM 1472 ND2 ASN A 97 4.881 -18.374 -7.192 1.00 0.00 N ATOM 0 H ASN A 97 6.346 -14.898 -8.145 1.00 0.00 H new ATOM 0 HA ASN A 97 4.880 -15.588 -10.588 1.00 0.00 H new ATOM 0 HB2 ASN A 97 5.000 -17.832 -9.683 1.00 0.00 H new ATOM 0 HB3 ASN A 97 6.619 -17.175 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 97 4.943 -18.616 -6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.306 -18.936 -7.819 1.00 0.00 H new ATOM 1479 N GLY A 98 3.546 -14.613 -7.907 1.00 0.00 N ATOM 1480 CA GLY A 98 2.356 -14.512 -7.121 1.00 0.00 C ATOM 1481 C GLY A 98 2.762 -14.248 -5.712 1.00 0.00 C ATOM 1482 O GLY A 98 2.362 -13.236 -5.138 1.00 0.00 O ATOM 0 H GLY A 98 4.302 -14.027 -7.553 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.720 -13.708 -7.492 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.776 -15.433 -7.185 1.00 0.00 H new ATOM 1486 N TYR A 99 3.599 -15.094 -5.085 1.00 0.00 N ATOM 1487 CA TYR A 99 3.840 -15.254 -3.684 1.00 0.00 C ATOM 1488 C TYR A 99 5.268 -15.188 -3.267 1.00 0.00 C ATOM 1489 O TYR A 99 6.080 -15.551 -4.116 1.00 0.00 O ATOM 1490 CB TYR A 99 3.434 -16.676 -3.259 1.00 0.00 C ATOM 1491 CG TYR A 99 2.004 -17.015 -3.503 1.00 0.00 C ATOM 1492 CD1 TYR A 99 1.029 -16.657 -2.602 1.00 0.00 C ATOM 1493 CD2 TYR A 99 1.704 -17.657 -4.681 1.00 0.00 C ATOM 1494 CE1 TYR A 99 -0.254 -17.092 -2.837 1.00 0.00 C ATOM 1495 CE2 TYR A 99 0.406 -18.012 -4.963 1.00 0.00 C ATOM 1496 CZ TYR A 99 -0.549 -17.749 -4.009 1.00 0.00 C ATOM 1497 OH TYR A 99 -1.824 -18.175 -4.437 1.00 0.00 O ATOM 0 H TYR A 99 4.172 -15.740 -5.627 1.00 0.00 H new ATOM 0 HA TYR A 99 3.279 -14.436 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 99 4.059 -17.392 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.646 -16.797 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.263 -16.054 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.490 -17.883 -5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.028 -16.918 -2.104 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.146 -18.481 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 99 -1.746 -18.615 -5.309 1.00 0.00 H new ATOM 1507 N ILE A 100 5.468 -14.805 -1.993 1.00 0.00 N ATOM 1508 CA ILE A 100 6.718 -14.996 -1.326 1.00 0.00 C ATOM 1509 C ILE A 100 6.474 -16.110 -0.367 1.00 0.00 C ATOM 1510 O ILE A 100 5.783 -15.975 0.641 1.00 0.00 O ATOM 1511 CB ILE A 100 7.294 -13.850 -0.548 1.00 0.00 C ATOM 1512 CG1 ILE A 100 7.380 -12.583 -1.416 1.00 0.00 C ATOM 1513 CG2 ILE A 100 8.704 -14.223 -0.058 1.00 0.00 C ATOM 1514 CD1 ILE A 100 7.729 -11.274 -0.709 1.00 0.00 C ATOM 0 H ILE A 100 4.754 -14.357 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 100 7.456 -15.165 -2.110 1.00 0.00 H new ATOM 0 HB ILE A 100 6.641 -13.647 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 100 8.124 -12.756 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.421 -12.451 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.124 -13.391 0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.646 -15.104 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.342 -14.438 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.756 -10.463 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.975 -11.057 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 100 8.705 -11.367 -0.233 1.00 0.00 H new ATOM 1526 N SER A 101 7.029 -17.315 -0.594 1.00 0.00 N ATOM 1527 CA SER A 101 6.875 -18.391 0.336 1.00 0.00 C ATOM 1528 C SER A 101 7.835 -18.207 1.460 1.00 0.00 C ATOM 1529 O SER A 101 8.843 -17.513 1.337 1.00 0.00 O ATOM 1530 CB SER A 101 7.302 -19.681 -0.385 1.00 0.00 C ATOM 1531 OG SER A 101 8.630 -19.612 -0.884 1.00 0.00 O ATOM 0 H SER A 101 7.583 -17.544 -1.419 1.00 0.00 H new ATOM 0 HA SER A 101 5.848 -18.428 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.219 -20.522 0.303 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.617 -19.876 -1.210 1.00 0.00 H new ATOM 0 HG SER A 101 8.698 -18.880 -1.532 1.00 0.00 H new ATOM 1537 N ALA A 102 7.521 -18.748 2.651 1.00 0.00 N ATOM 1538 CA ALA A 102 8.401 -18.512 3.753 1.00 0.00 C ATOM 1539 C ALA A 102 9.832 -18.906 3.623 1.00 0.00 C ATOM 1540 O ALA A 102 10.647 -18.485 4.441 1.00 0.00 O ATOM 1541 CB ALA A 102 7.795 -19.152 5.013 1.00 0.00 C ATOM 0 H ALA A 102 6.700 -19.321 2.847 1.00 0.00 H new ATOM 0 HA ALA A 102 8.464 -17.425 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.456 -18.980 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.821 -18.706 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.678 -20.224 4.856 1.00 0.00 H new ATOM 1547 N ALA A 103 10.207 -19.811 2.700 1.00 0.00 N ATOM 1548 CA ALA A 103 11.553 -20.127 2.336 1.00 0.00 C ATOM 1549 C ALA A 103 12.243 -18.995 1.655 1.00 0.00 C ATOM 1550 O ALA A 103 13.402 -18.731 1.971 1.00 0.00 O ATOM 1551 CB ALA A 103 11.508 -21.402 1.477 1.00 0.00 C ATOM 0 H ALA A 103 9.524 -20.357 2.175 1.00 0.00 H new ATOM 0 HA ALA A 103 12.150 -20.305 3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.520 -21.676 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 103 11.068 -22.215 2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.904 -21.220 0.588 1.00 0.00 H new ATOM 1557 N GLU A 104 11.597 -18.332 0.679 1.00 0.00 N ATOM 1558 CA GLU A 104 12.110 -17.212 -0.047 1.00 0.00 C ATOM 1559 C GLU A 104 12.083 -16.061 0.898 1.00 0.00 C ATOM 1560 O GLU A 104 13.095 -15.364 0.846 1.00 0.00 O ATOM 1561 CB GLU A 104 11.106 -16.918 -1.174 1.00 0.00 C ATOM 1562 CG GLU A 104 11.015 -17.981 -2.270 1.00 0.00 C ATOM 1563 CD GLU A 104 9.887 -17.706 -3.254 1.00 0.00 C ATOM 1564 OE1 GLU A 104 8.713 -17.600 -2.811 1.00 0.00 O ATOM 1565 OE2 GLU A 104 10.137 -17.816 -4.484 1.00 0.00 O ATOM 0 H GLU A 104 10.658 -18.595 0.379 1.00 0.00 H new ATOM 0 HA GLU A 104 13.110 -17.387 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.118 -16.791 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.373 -15.967 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.961 -18.025 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.864 -18.959 -1.812 1.00 0.00 H new ATOM 1572 N LEU A 105 11.048 -15.814 1.722 1.00 0.00 N ATOM 1573 CA LEU A 105 10.966 -14.792 2.719 1.00 0.00 C ATOM 1574 C LEU A 105 12.107 -14.802 3.678 1.00 0.00 C ATOM 1575 O LEU A 105 12.757 -13.794 3.948 1.00 0.00 O ATOM 1576 CB LEU A 105 9.589 -14.739 3.401 1.00 0.00 C ATOM 1577 CG LEU A 105 9.361 -13.391 4.106 1.00 0.00 C ATOM 1578 CD1 LEU A 105 9.103 -12.177 3.197 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.114 -13.550 4.992 1.00 0.00 C ATOM 0 H LEU A 105 10.199 -16.378 1.686 1.00 0.00 H new ATOM 0 HA LEU A 105 11.066 -13.848 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.807 -14.899 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.510 -15.548 4.127 1.00 0.00 H new ATOM 0 HG LEU A 105 10.290 -13.178 4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.958 -11.288 3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.958 -12.028 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.210 -12.354 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.916 -12.613 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.257 -13.809 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.285 -14.341 5.722 1.00 0.00 H new ATOM 1591 N ARG A 106 12.642 -15.980 4.046 1.00 0.00 N ATOM 1592 CA ARG A 106 13.873 -16.024 4.773 1.00 0.00 C ATOM 1593 C ARG A 106 15.077 -15.736 3.944 1.00 0.00 C ATOM 1594 O ARG A 106 15.932 -14.935 4.317 1.00 0.00 O ATOM 1595 CB ARG A 106 14.014 -17.428 5.385 1.00 0.00 C ATOM 1596 CG ARG A 106 15.399 -17.823 5.902 1.00 0.00 C ATOM 1597 CD ARG A 106 15.312 -19.047 6.816 1.00 0.00 C ATOM 1598 NE ARG A 106 15.207 -18.583 8.228 1.00 0.00 N ATOM 1599 CZ ARG A 106 14.340 -18.996 9.198 1.00 0.00 C ATOM 1600 NH1 ARG A 106 13.235 -19.757 8.950 1.00 0.00 N ATOM 1601 NH2 ARG A 106 14.529 -18.736 10.525 1.00 0.00 N ATOM 0 H ARG A 106 12.229 -16.891 3.844 1.00 0.00 H new ATOM 0 HA ARG A 106 13.829 -15.242 5.531 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.308 -17.510 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.712 -18.157 4.633 1.00 0.00 H new ATOM 0 HG2 ARG A 106 16.058 -18.038 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.840 -16.988 6.447 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.446 -19.654 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.193 -19.676 6.690 1.00 0.00 H new ATOM 0 HE ARG A 106 15.871 -17.861 8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 106 13.020 -20.048 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.624 -20.035 9.718 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.348 -18.211 10.830 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.851 -19.067 11.211 1.00 0.00 H new ATOM 1615 N HIS A 107 15.214 -16.334 2.746 1.00 0.00 N ATOM 1616 CA HIS A 107 16.145 -16.022 1.707 1.00 0.00 C ATOM 1617 C HIS A 107 16.330 -14.556 1.517 1.00 0.00 C ATOM 1618 O HIS A 107 17.398 -13.979 1.712 1.00 0.00 O ATOM 1619 CB HIS A 107 15.869 -16.671 0.340 1.00 0.00 C ATOM 1620 CG HIS A 107 16.864 -16.413 -0.753 1.00 0.00 C ATOM 1621 ND1 HIS A 107 18.126 -16.964 -0.825 1.00 0.00 N ATOM 1622 CD2 HIS A 107 16.871 -15.403 -1.664 1.00 0.00 C ATOM 1623 CE1 HIS A 107 18.760 -16.385 -1.880 1.00 0.00 C ATOM 1624 NE2 HIS A 107 18.062 -15.373 -2.361 1.00 0.00 N ATOM 0 H HIS A 107 14.611 -17.113 2.482 1.00 0.00 H new ATOM 0 HA HIS A 107 17.065 -16.470 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.798 -17.749 0.486 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.892 -16.331 -0.005 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.053 -14.716 -1.821 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.712 -16.711 -2.273 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.341 -14.714 -3.088 1.00 0.00 H new ATOM 1632 N VAL A 108 15.267 -13.827 1.132 1.00 0.00 N ATOM 1633 CA VAL A 108 15.247 -12.401 1.024 1.00 0.00 C ATOM 1634 C VAL A 108 15.583 -11.670 2.278 1.00 0.00 C ATOM 1635 O VAL A 108 16.414 -10.763 2.286 1.00 0.00 O ATOM 1636 CB VAL A 108 13.956 -11.944 0.411 1.00 0.00 C ATOM 1637 CG1 VAL A 108 13.946 -10.427 0.158 1.00 0.00 C ATOM 1638 CG2 VAL A 108 13.749 -12.750 -0.882 1.00 0.00 C ATOM 0 H VAL A 108 14.375 -14.255 0.883 1.00 0.00 H new ATOM 0 HA VAL A 108 16.065 -12.135 0.354 1.00 0.00 H new ATOM 0 HB VAL A 108 13.129 -12.125 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.993 -10.139 -0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.080 -9.900 1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.757 -10.166 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.817 -12.444 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 108 14.580 -12.566 -1.563 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.703 -13.813 -0.645 1.00 0.00 H new ATOM 1648 N MET A 109 15.055 -12.001 3.470 1.00 0.00 N ATOM 1649 CA MET A 109 15.375 -11.287 4.667 1.00 0.00 C ATOM 1650 C MET A 109 16.767 -11.510 5.149 1.00 0.00 C ATOM 1651 O MET A 109 17.239 -10.735 5.980 1.00 0.00 O ATOM 1652 CB MET A 109 14.239 -11.306 5.703 1.00 0.00 C ATOM 1653 CG MET A 109 13.170 -10.212 5.749 1.00 0.00 C ATOM 1654 SD MET A 109 12.133 -10.222 4.256 1.00 0.00 S ATOM 1655 CE MET A 109 11.012 -8.958 4.920 1.00 0.00 C ATOM 0 H MET A 109 14.400 -12.771 3.605 1.00 0.00 H new ATOM 0 HA MET A 109 15.420 -10.229 4.411 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.715 -12.254 5.579 1.00 0.00 H new ATOM 0 HB3 MET A 109 14.709 -11.329 6.686 1.00 0.00 H new ATOM 0 HG2 MET A 109 12.542 -10.353 6.629 1.00 0.00 H new ATOM 0 HG3 MET A 109 13.650 -9.239 5.852 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.231 -8.745 4.190 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.558 -9.322 5.841 1.00 0.00 H new ATOM 0 HE3 MET A 109 11.573 -8.047 5.128 1.00 0.00 H new ATOM 1665 N THR A 110 17.431 -12.583 4.684 1.00 0.00 N ATOM 1666 CA THR A 110 18.799 -12.900 4.957 1.00 0.00 C ATOM 1667 C THR A 110 19.712 -11.970 4.234 1.00 0.00 C ATOM 1668 O THR A 110 20.730 -11.574 4.800 1.00 0.00 O ATOM 1669 CB THR A 110 19.087 -14.300 4.502 1.00 0.00 C ATOM 1670 OG1 THR A 110 18.282 -15.236 5.204 1.00 0.00 O ATOM 1671 CG2 THR A 110 20.527 -14.769 4.766 1.00 0.00 C ATOM 0 H THR A 110 16.984 -13.272 4.079 1.00 0.00 H new ATOM 0 HA THR A 110 18.965 -12.804 6.030 1.00 0.00 H new ATOM 0 HB THR A 110 18.890 -14.266 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 110 17.415 -15.323 4.755 1.00 0.00 H new ATOM 0 HG21 THR A 110 20.649 -15.791 4.406 1.00 0.00 H new ATOM 0 HG22 THR A 110 21.224 -14.115 4.243 1.00 0.00 H new ATOM 0 HG23 THR A 110 20.730 -14.734 5.836 1.00 0.00 H new ATOM 1679 N ASN A 111 19.439 -11.633 2.961 1.00 0.00 N ATOM 1680 CA ASN A 111 20.288 -10.914 2.063 1.00 0.00 C ATOM 1681 C ASN A 111 19.869 -9.486 1.984 1.00 0.00 C ATOM 1682 O ASN A 111 20.178 -8.707 1.083 1.00 0.00 O ATOM 1683 CB ASN A 111 20.227 -11.560 0.669 1.00 0.00 C ATOM 1684 CG ASN A 111 20.948 -12.901 0.645 1.00 0.00 C ATOM 1685 OD1 ASN A 111 22.142 -12.844 0.932 1.00 0.00 O ATOM 1686 ND2 ASN A 111 20.335 -14.059 0.280 1.00 0.00 N ATOM 0 H ASN A 111 18.551 -11.885 2.526 1.00 0.00 H new ATOM 0 HA ASN A 111 21.312 -10.953 2.434 1.00 0.00 H new ATOM 0 HB2 ASN A 111 19.186 -11.700 0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 111 20.677 -10.890 -0.064 1.00 0.00 H new ATOM 0 HD21 ASN A 111 20.869 -14.927 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 111 19.341 -14.060 0.050 1.00 0.00 H new ATOM 1693 N LEU A 112 19.194 -9.066 3.068 1.00 0.00 N ATOM 1694 CA LEU A 112 18.508 -7.819 3.209 1.00 0.00 C ATOM 1695 C LEU A 112 19.482 -6.706 3.393 1.00 0.00 C ATOM 1696 O LEU A 112 19.427 -5.750 2.621 1.00 0.00 O ATOM 1697 CB LEU A 112 17.349 -7.767 4.219 1.00 0.00 C ATOM 1698 CG LEU A 112 16.444 -6.555 3.942 1.00 0.00 C ATOM 1699 CD1 LEU A 112 15.878 -6.396 2.521 1.00 0.00 C ATOM 1700 CD2 LEU A 112 15.318 -6.582 4.989 1.00 0.00 C ATOM 0 H LEU A 112 19.123 -9.641 3.907 1.00 0.00 H new ATOM 0 HA LEU A 112 17.981 -7.692 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 112 16.765 -8.685 4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 112 17.745 -7.708 5.233 1.00 0.00 H new ATOM 0 HG LEU A 112 17.084 -5.676 4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 112 15.260 -5.500 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 112 16.699 -6.308 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 112 15.273 -7.268 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 112 14.651 -5.735 4.828 1.00 0.00 H new ATOM 0 HD22 LEU A 112 14.755 -7.511 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 112 15.749 -6.519 5.988 1.00 0.00 H new ATOM 1712 N GLY A 113 20.370 -6.875 4.388 1.00 0.00 N ATOM 1713 CA GLY A 113 21.265 -5.855 4.838 1.00 0.00 C ATOM 1714 C GLY A 113 21.254 -5.986 6.323 1.00 0.00 C ATOM 1715 O GLY A 113 22.217 -6.423 6.952 1.00 0.00 O ATOM 0 H GLY A 113 20.469 -7.753 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 113 22.267 -5.998 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 113 20.932 -4.866 4.523 1.00 0.00 H new ATOM 1719 N GLU A 114 20.143 -5.536 6.932 1.00 0.00 N ATOM 1720 CA GLU A 114 20.067 -5.662 8.354 1.00 0.00 C ATOM 1721 C GLU A 114 19.815 -7.032 8.883 1.00 0.00 C ATOM 1722 O GLU A 114 18.991 -7.731 8.295 1.00 0.00 O ATOM 1723 CB GLU A 114 18.980 -4.734 8.922 1.00 0.00 C ATOM 1724 CG GLU A 114 19.067 -3.340 8.299 1.00 0.00 C ATOM 1725 CD GLU A 114 18.346 -2.371 9.225 1.00 0.00 C ATOM 1726 OE1 GLU A 114 17.101 -2.272 9.057 1.00 0.00 O ATOM 1727 OE2 GLU A 114 18.929 -1.701 10.119 1.00 0.00 O ATOM 0 H GLU A 114 19.339 -5.108 6.473 1.00 0.00 H new ATOM 0 HA GLU A 114 21.068 -5.385 8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.996 -5.161 8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.089 -4.660 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.108 -3.043 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.610 -3.335 7.309 1.00 0.00 H new ATOM 1734 N LYS A 115 20.539 -7.470 9.928 1.00 0.00 N ATOM 1735 CA LYS A 115 20.771 -8.831 10.299 1.00 0.00 C ATOM 1736 C LYS A 115 19.837 -9.179 11.406 1.00 0.00 C ATOM 1737 O LYS A 115 19.848 -8.598 12.490 1.00 0.00 O ATOM 1738 CB LYS A 115 22.231 -9.140 10.673 1.00 0.00 C ATOM 1739 CG LYS A 115 23.217 -8.896 9.529 1.00 0.00 C ATOM 1740 CD LYS A 115 24.639 -9.340 9.878 1.00 0.00 C ATOM 1741 CE LYS A 115 25.670 -8.967 8.810 1.00 0.00 C ATOM 1742 NZ LYS A 115 25.747 -10.093 7.853 1.00 0.00 N ATOM 0 H LYS A 115 20.999 -6.818 10.564 1.00 0.00 H new ATOM 0 HA LYS A 115 20.579 -9.453 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 115 22.517 -8.525 11.527 1.00 0.00 H new ATOM 0 HB3 LYS A 115 22.304 -10.180 10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 115 22.880 -9.432 8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 115 23.222 -7.835 9.278 1.00 0.00 H new ATOM 0 HD2 LYS A 115 24.930 -8.889 10.827 1.00 0.00 H new ATOM 0 HD3 LYS A 115 24.650 -10.420 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 115 25.378 -8.049 8.299 1.00 0.00 H new ATOM 0 HE3 LYS A 115 26.643 -8.783 9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 26.441 -9.871 7.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 26.040 -10.956 8.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 24.814 -10.245 7.419 1.00 0.00 H new ATOM 1756 N LEU A 116 18.856 -10.030 11.055 1.00 0.00 N ATOM 1757 CA LEU A 116 17.976 -10.730 11.938 1.00 0.00 C ATOM 1758 C LEU A 116 18.583 -12.005 12.415 1.00 0.00 C ATOM 1759 O LEU A 116 19.344 -12.670 11.714 1.00 0.00 O ATOM 1760 CB LEU A 116 16.582 -11.046 11.371 1.00 0.00 C ATOM 1761 CG LEU A 116 15.868 -9.732 11.011 1.00 0.00 C ATOM 1762 CD1 LEU A 116 14.545 -10.009 10.278 1.00 0.00 C ATOM 1763 CD2 LEU A 116 15.604 -8.791 12.199 1.00 0.00 C ATOM 0 H LEU A 116 18.665 -10.244 10.076 1.00 0.00 H new ATOM 0 HA LEU A 116 17.833 -10.027 12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 116 16.671 -11.678 10.488 1.00 0.00 H new ATOM 0 HB3 LEU A 116 15.997 -11.602 12.103 1.00 0.00 H new ATOM 0 HG LEU A 116 16.568 -9.211 10.358 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.059 -9.064 10.034 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.746 -10.561 9.360 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.890 -10.599 10.920 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.098 -7.893 11.846 1.00 0.00 H new ATOM 0 HD22 LEU A 116 14.976 -9.298 12.932 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.551 -8.515 12.662 1.00 0.00 H new ATOM 1775 N THR A 117 18.248 -12.632 13.557 1.00 0.00 N ATOM 1776 CA THR A 117 18.718 -13.938 13.903 1.00 0.00 C ATOM 1777 C THR A 117 17.607 -14.835 13.479 1.00 0.00 C ATOM 1778 O THR A 117 16.477 -14.427 13.217 1.00 0.00 O ATOM 1779 CB THR A 117 18.980 -13.983 15.379 1.00 0.00 C ATOM 1780 OG1 THR A 117 17.798 -13.655 16.095 1.00 0.00 O ATOM 1781 CG2 THR A 117 20.072 -12.977 15.782 1.00 0.00 C ATOM 0 H THR A 117 17.634 -12.220 14.259 1.00 0.00 H new ATOM 0 HA THR A 117 19.654 -14.230 13.427 1.00 0.00 H new ATOM 0 HB THR A 117 19.308 -14.994 15.620 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.979 -13.689 17.058 1.00 0.00 H new ATOM 0 HG21 THR A 117 20.239 -13.033 16.858 1.00 0.00 H new ATOM 0 HG22 THR A 117 20.997 -13.215 15.258 1.00 0.00 H new ATOM 0 HG23 THR A 117 19.754 -11.969 15.517 1.00 0.00 H new ATOM 1789 N ASP A 118 17.924 -16.136 13.350 1.00 0.00 N ATOM 1790 CA ASP A 118 17.030 -17.196 12.999 1.00 0.00 C ATOM 1791 C ASP A 118 15.764 -17.087 13.777 1.00 0.00 C ATOM 1792 O ASP A 118 14.740 -17.240 13.112 1.00 0.00 O ATOM 1793 CB ASP A 118 17.794 -18.526 13.108 1.00 0.00 C ATOM 1794 CG ASP A 118 18.989 -18.706 12.183 1.00 0.00 C ATOM 1795 OD1 ASP A 118 18.732 -18.709 10.949 1.00 0.00 O ATOM 1796 OD2 ASP A 118 20.188 -18.838 12.547 1.00 0.00 O ATOM 0 H ASP A 118 18.876 -16.470 13.503 1.00 0.00 H new ATOM 0 HA ASP A 118 16.694 -17.133 11.964 1.00 0.00 H new ATOM 0 HB2 ASP A 118 18.140 -18.636 14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 118 17.092 -19.338 12.919 1.00 0.00 H new ATOM 1801 N GLU A 119 15.747 -16.973 15.117 1.00 0.00 N ATOM 1802 CA GLU A 119 14.554 -17.080 15.898 1.00 0.00 C ATOM 1803 C GLU A 119 13.652 -15.908 15.710 1.00 0.00 C ATOM 1804 O GLU A 119 12.436 -15.884 15.892 1.00 0.00 O ATOM 1805 CB GLU A 119 14.879 -17.323 17.381 1.00 0.00 C ATOM 1806 CG GLU A 119 15.758 -16.328 18.141 1.00 0.00 C ATOM 1807 CD GLU A 119 15.877 -16.641 19.625 1.00 0.00 C ATOM 1808 OE1 GLU A 119 14.778 -16.907 20.181 1.00 0.00 O ATOM 1809 OE2 GLU A 119 17.017 -16.684 20.161 1.00 0.00 O ATOM 0 H GLU A 119 16.585 -16.802 15.672 1.00 0.00 H new ATOM 0 HA GLU A 119 14.008 -17.951 15.536 1.00 0.00 H new ATOM 0 HB2 GLU A 119 13.931 -17.392 17.914 1.00 0.00 H new ATOM 0 HB3 GLU A 119 15.357 -18.300 17.453 1.00 0.00 H new ATOM 0 HG2 GLU A 119 16.754 -16.321 17.697 1.00 0.00 H new ATOM 0 HG3 GLU A 119 15.348 -15.325 18.020 1.00 0.00 H new ATOM 1816 N GLU A 120 14.301 -14.752 15.484 1.00 0.00 N ATOM 1817 CA GLU A 120 13.615 -13.542 15.154 1.00 0.00 C ATOM 1818 C GLU A 120 12.944 -13.555 13.824 1.00 0.00 C ATOM 1819 O GLU A 120 11.780 -13.218 13.611 1.00 0.00 O ATOM 1820 CB GLU A 120 14.609 -12.371 15.225 1.00 0.00 C ATOM 1821 CG GLU A 120 13.983 -10.976 15.195 1.00 0.00 C ATOM 1822 CD GLU A 120 13.263 -10.693 16.505 1.00 0.00 C ATOM 1823 OE1 GLU A 120 12.095 -11.100 16.747 1.00 0.00 O ATOM 1824 OE2 GLU A 120 13.891 -9.930 17.287 1.00 0.00 O ATOM 0 H GLU A 120 15.315 -14.656 15.531 1.00 0.00 H new ATOM 0 HA GLU A 120 12.813 -13.431 15.884 1.00 0.00 H new ATOM 0 HB2 GLU A 120 15.194 -12.468 16.139 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.305 -12.456 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 120 14.756 -10.226 15.028 1.00 0.00 H new ATOM 0 HG3 GLU A 120 13.282 -10.902 14.363 1.00 0.00 H new ATOM 1831 N VAL A 121 13.677 -14.070 12.820 1.00 0.00 N ATOM 1832 CA VAL A 121 13.269 -14.408 11.492 1.00 0.00 C ATOM 1833 C VAL A 121 12.079 -15.302 11.429 1.00 0.00 C ATOM 1834 O VAL A 121 11.009 -15.043 10.879 1.00 0.00 O ATOM 1835 CB VAL A 121 14.307 -15.032 10.607 1.00 0.00 C ATOM 1836 CG1 VAL A 121 13.670 -15.532 9.300 1.00 0.00 C ATOM 1837 CG2 VAL A 121 15.458 -14.121 10.145 1.00 0.00 C ATOM 0 H VAL A 121 14.667 -14.271 12.959 1.00 0.00 H new ATOM 0 HA VAL A 121 13.041 -13.412 11.113 1.00 0.00 H new ATOM 0 HB VAL A 121 14.717 -15.813 11.248 1.00 0.00 H new ATOM 0 HG11 VAL A 121 14.437 -15.982 8.670 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.906 -16.276 9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 121 13.214 -14.694 8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 121 16.140 -14.689 9.512 1.00 0.00 H new ATOM 0 HG22 VAL A 121 15.053 -13.281 9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 121 15.997 -13.746 11.015 1.00 0.00 H new ATOM 1847 N ASP A 122 12.139 -16.342 12.279 1.00 0.00 N ATOM 1848 CA ASP A 122 11.118 -17.303 12.561 1.00 0.00 C ATOM 1849 C ASP A 122 9.966 -16.594 13.185 1.00 0.00 C ATOM 1850 O ASP A 122 8.852 -17.017 12.879 1.00 0.00 O ATOM 1851 CB ASP A 122 11.533 -18.413 13.541 1.00 0.00 C ATOM 1852 CG ASP A 122 12.358 -19.567 12.988 1.00 0.00 C ATOM 1853 OD1 ASP A 122 12.482 -19.790 11.755 1.00 0.00 O ATOM 1854 OD2 ASP A 122 12.937 -20.293 13.840 1.00 0.00 O ATOM 0 H ASP A 122 12.984 -16.526 12.820 1.00 0.00 H new ATOM 0 HA ASP A 122 10.884 -17.776 11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.099 -17.952 14.351 1.00 0.00 H new ATOM 0 HB3 ASP A 122 10.627 -18.828 13.982 1.00 0.00 H new ATOM 1859 N GLU A 123 10.125 -15.614 14.092 1.00 0.00 N ATOM 1860 CA GLU A 123 8.984 -14.958 14.652 1.00 0.00 C ATOM 1861 C GLU A 123 8.313 -14.087 13.647 1.00 0.00 C ATOM 1862 O GLU A 123 7.099 -13.894 13.690 1.00 0.00 O ATOM 1863 CB GLU A 123 9.493 -14.103 15.824 1.00 0.00 C ATOM 1864 CG GLU A 123 8.369 -13.392 16.580 1.00 0.00 C ATOM 1865 CD GLU A 123 8.719 -12.920 17.984 1.00 0.00 C ATOM 1866 OE1 GLU A 123 9.553 -13.617 18.622 1.00 0.00 O ATOM 1867 OE2 GLU A 123 8.289 -11.820 18.424 1.00 0.00 O ATOM 0 H GLU A 123 11.026 -15.280 14.433 1.00 0.00 H new ATOM 0 HA GLU A 123 8.251 -15.695 14.980 1.00 0.00 H new ATOM 0 HB2 GLU A 123 10.044 -14.739 16.517 1.00 0.00 H new ATOM 0 HB3 GLU A 123 10.195 -13.360 15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.050 -12.530 15.995 1.00 0.00 H new ATOM 0 HG3 GLU A 123 7.515 -14.066 16.645 1.00 0.00 H new ATOM 1874 N MET A 124 9.002 -13.576 12.611 1.00 0.00 N ATOM 1875 CA MET A 124 8.478 -12.805 11.527 1.00 0.00 C ATOM 1876 C MET A 124 7.658 -13.708 10.670 1.00 0.00 C ATOM 1877 O MET A 124 6.459 -13.503 10.486 1.00 0.00 O ATOM 1878 CB MET A 124 9.649 -12.095 10.827 1.00 0.00 C ATOM 1879 CG MET A 124 9.261 -11.445 9.497 1.00 0.00 C ATOM 1880 SD MET A 124 10.635 -10.792 8.501 1.00 0.00 S ATOM 1881 CE MET A 124 10.698 -9.243 9.446 1.00 0.00 C ATOM 0 H MET A 124 10.009 -13.715 12.526 1.00 0.00 H new ATOM 0 HA MET A 124 7.805 -12.009 11.844 1.00 0.00 H new ATOM 0 HB2 MET A 124 10.050 -11.331 11.493 1.00 0.00 H new ATOM 0 HB3 MET A 124 10.448 -12.816 10.651 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.722 -12.180 8.899 1.00 0.00 H new ATOM 0 HG3 MET A 124 8.567 -10.630 9.702 1.00 0.00 H new ATOM 0 HE1 MET A 124 11.462 -8.590 9.024 1.00 0.00 H new ATOM 0 HE2 MET A 124 9.729 -8.747 9.396 1.00 0.00 H new ATOM 0 HE3 MET A 124 10.941 -9.461 10.486 1.00 0.00 H new ATOM 1891 N ILE A 125 8.264 -14.799 10.170 1.00 0.00 N ATOM 1892 CA ILE A 125 7.641 -15.891 9.489 1.00 0.00 C ATOM 1893 C ILE A 125 6.366 -16.405 10.063 1.00 0.00 C ATOM 1894 O ILE A 125 5.410 -16.720 9.356 1.00 0.00 O ATOM 1895 CB ILE A 125 8.656 -16.960 9.208 1.00 0.00 C ATOM 1896 CG1 ILE A 125 9.661 -16.467 8.153 1.00 0.00 C ATOM 1897 CG2 ILE A 125 8.132 -18.374 8.907 1.00 0.00 C ATOM 1898 CD1 ILE A 125 10.958 -17.265 8.024 1.00 0.00 C ATOM 0 H ILE A 125 9.273 -14.926 10.249 1.00 0.00 H new ATOM 0 HA ILE A 125 7.282 -15.480 8.545 1.00 0.00 H new ATOM 0 HB ILE A 125 9.157 -17.116 10.164 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.164 -16.464 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 125 9.918 -15.433 8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 125 8.973 -19.042 8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.558 -18.738 9.759 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.493 -18.345 8.025 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.583 -16.821 7.249 1.00 0.00 H new ATOM 0 HD12 ILE A 125 11.491 -17.249 8.974 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.726 -18.296 7.756 1.00 0.00 H new ATOM 1910 N ARG A 126 6.321 -16.581 11.396 1.00 0.00 N ATOM 1911 CA ARG A 126 5.213 -17.011 12.192 1.00 0.00 C ATOM 1912 C ARG A 126 3.928 -16.270 12.047 1.00 0.00 C ATOM 1913 O ARG A 126 2.833 -16.816 11.923 1.00 0.00 O ATOM 1914 CB ARG A 126 5.632 -17.007 13.671 1.00 0.00 C ATOM 1915 CG ARG A 126 4.530 -17.538 14.590 1.00 0.00 C ATOM 1916 CD ARG A 126 4.884 -17.919 16.029 1.00 0.00 C ATOM 1917 NE ARG A 126 5.567 -16.871 16.838 1.00 0.00 N ATOM 1918 CZ ARG A 126 4.868 -15.934 17.543 1.00 0.00 C ATOM 1919 NH1 ARG A 126 3.552 -15.624 17.356 1.00 0.00 N ATOM 1920 NH2 ARG A 126 5.571 -15.326 18.542 1.00 0.00 N ATOM 0 H ARG A 126 7.144 -16.404 11.971 1.00 0.00 H new ATOM 0 HA ARG A 126 4.983 -18.005 11.809 1.00 0.00 H new ATOM 0 HB2 ARG A 126 6.528 -17.615 13.794 1.00 0.00 H new ATOM 0 HB3 ARG A 126 5.892 -15.992 13.969 1.00 0.00 H new ATOM 0 HG2 ARG A 126 3.745 -16.783 14.633 1.00 0.00 H new ATOM 0 HG3 ARG A 126 4.099 -18.418 14.113 1.00 0.00 H new ATOM 0 HD2 ARG A 126 3.966 -18.205 16.543 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.523 -18.802 16.002 1.00 0.00 H new ATOM 0 HE ARG A 126 6.586 -16.853 16.866 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.010 -16.109 16.641 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.110 -14.907 17.931 1.00 0.00 H new ATOM 0 HH21 ARG A 126 6.543 -15.585 18.712 1.00 0.00 H new ATOM 0 HH22 ARG A 126 5.125 -14.613 19.119 1.00 0.00 H new ATOM 1934 N GLU A 127 4.074 -14.933 12.019 1.00 0.00 N ATOM 1935 CA GLU A 127 3.039 -13.952 11.921 1.00 0.00 C ATOM 1936 C GLU A 127 2.723 -13.481 10.543 1.00 0.00 C ATOM 1937 O GLU A 127 1.678 -12.880 10.299 1.00 0.00 O ATOM 1938 CB GLU A 127 3.243 -12.789 12.906 1.00 0.00 C ATOM 1939 CG GLU A 127 3.082 -13.259 14.353 1.00 0.00 C ATOM 1940 CD GLU A 127 2.882 -12.082 15.297 1.00 0.00 C ATOM 1941 OE1 GLU A 127 3.733 -11.154 15.356 1.00 0.00 O ATOM 1942 OE2 GLU A 127 1.907 -12.063 16.095 1.00 0.00 O ATOM 0 H GLU A 127 4.998 -14.504 12.069 1.00 0.00 H new ATOM 0 HA GLU A 127 2.140 -14.490 12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.236 -12.361 12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.523 -11.999 12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 127 2.230 -13.935 14.425 1.00 0.00 H new ATOM 0 HG3 GLU A 127 3.964 -13.824 14.654 1.00 0.00 H new ATOM 1949 N ALA A 128 3.638 -13.669 9.575 1.00 0.00 N ATOM 1950 CA ALA A 128 3.616 -13.029 8.296 1.00 0.00 C ATOM 1951 C ALA A 128 2.607 -13.552 7.333 1.00 0.00 C ATOM 1952 O ALA A 128 2.302 -12.946 6.306 1.00 0.00 O ATOM 1953 CB ALA A 128 4.989 -13.237 7.634 1.00 0.00 C ATOM 0 H ALA A 128 4.432 -14.298 9.690 1.00 0.00 H new ATOM 0 HA ALA A 128 3.359 -11.989 8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.997 -12.757 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.765 -12.797 8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.178 -14.304 7.517 1.00 0.00 H new ATOM 1959 N ASP A 129 2.000 -14.702 7.675 1.00 0.00 N ATOM 1960 CA ASP A 129 0.983 -15.317 6.880 1.00 0.00 C ATOM 1961 C ASP A 129 -0.316 -15.061 7.565 1.00 0.00 C ATOM 1962 O ASP A 129 -0.441 -15.276 8.769 1.00 0.00 O ATOM 1963 CB ASP A 129 1.160 -16.822 6.615 1.00 0.00 C ATOM 1964 CG ASP A 129 0.486 -17.174 5.297 1.00 0.00 C ATOM 1965 OD1 ASP A 129 0.945 -16.773 4.194 1.00 0.00 O ATOM 1966 OD2 ASP A 129 -0.593 -17.824 5.260 1.00 0.00 O ATOM 0 H ASP A 129 2.222 -15.218 8.526 1.00 0.00 H new ATOM 0 HA ASP A 129 1.036 -14.873 5.886 1.00 0.00 H new ATOM 0 HB2 ASP A 129 2.219 -17.076 6.576 1.00 0.00 H new ATOM 0 HB3 ASP A 129 0.723 -17.402 7.428 1.00 0.00 H new ATOM 1971 N ILE A 130 -1.447 -14.722 6.922 1.00 0.00 N ATOM 1972 CA ILE A 130 -2.745 -14.473 7.468 1.00 0.00 C ATOM 1973 C ILE A 130 -3.706 -15.597 7.287 1.00 0.00 C ATOM 1974 O ILE A 130 -4.434 -15.854 8.245 1.00 0.00 O ATOM 1975 CB ILE A 130 -3.255 -13.131 7.033 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -2.339 -11.968 7.449 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -4.674 -12.890 7.574 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -2.413 -11.515 8.906 1.00 0.00 C ATOM 0 H ILE A 130 -1.449 -14.611 5.908 1.00 0.00 H new ATOM 0 HA ILE A 130 -2.639 -14.427 8.552 1.00 0.00 H new ATOM 0 HB ILE A 130 -3.270 -13.153 5.943 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.309 -12.254 7.235 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.570 -11.111 6.816 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -5.026 -11.911 7.248 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -5.344 -13.662 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -4.659 -12.926 8.663 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.719 -10.690 9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.427 -11.185 9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -2.147 -12.346 9.559 1.00 0.00 H new ATOM 1990 N ASP A 131 -3.758 -16.374 6.190 1.00 0.00 N ATOM 1991 CA ASP A 131 -4.381 -17.659 6.108 1.00 0.00 C ATOM 1992 C ASP A 131 -3.923 -18.671 7.101 1.00 0.00 C ATOM 1993 O ASP A 131 -4.782 -19.351 7.660 1.00 0.00 O ATOM 1994 CB ASP A 131 -4.191 -18.232 4.694 1.00 0.00 C ATOM 1995 CG ASP A 131 -4.472 -17.181 3.630 1.00 0.00 C ATOM 1996 OD1 ASP A 131 -5.623 -16.711 3.427 1.00 0.00 O ATOM 1997 OD2 ASP A 131 -3.428 -16.941 2.967 1.00 0.00 O ATOM 0 H ASP A 131 -3.339 -16.086 5.306 1.00 0.00 H new ATOM 0 HA ASP A 131 -5.429 -17.473 6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.172 -18.602 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.856 -19.084 4.552 1.00 0.00 H new ATOM 2002 N GLY A 132 -2.594 -18.727 7.303 1.00 0.00 N ATOM 2003 CA GLY A 132 -1.914 -19.737 8.053 1.00 0.00 C ATOM 2004 C GLY A 132 -1.339 -20.777 7.154 1.00 0.00 C ATOM 2005 O GLY A 132 -0.971 -21.854 7.623 1.00 0.00 O ATOM 0 H GLY A 132 -1.958 -18.027 6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -1.119 -19.282 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -2.607 -20.201 8.755 1.00 0.00 H new ATOM 2009 N ASP A 133 -1.307 -20.458 5.848 1.00 0.00 N ATOM 2010 CA ASP A 133 -0.922 -21.358 4.805 1.00 0.00 C ATOM 2011 C ASP A 133 0.530 -21.422 4.478 1.00 0.00 C ATOM 2012 O ASP A 133 1.103 -22.393 3.986 1.00 0.00 O ATOM 2013 CB ASP A 133 -1.937 -21.324 3.650 1.00 0.00 C ATOM 2014 CG ASP A 133 -1.817 -20.249 2.581 1.00 0.00 C ATOM 2015 OD1 ASP A 133 -0.835 -19.461 2.528 1.00 0.00 O ATOM 2016 OD2 ASP A 133 -2.751 -20.131 1.743 1.00 0.00 O ATOM 0 H ASP A 133 -1.561 -19.532 5.504 1.00 0.00 H new ATOM 0 HA ASP A 133 -0.998 -22.369 5.206 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -1.893 -22.291 3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -2.930 -21.238 4.090 1.00 0.00 H new ATOM 2021 N GLY A 134 1.237 -20.353 4.885 1.00 0.00 N ATOM 2022 CA GLY A 134 2.645 -20.379 5.135 1.00 0.00 C ATOM 2023 C GLY A 134 3.344 -19.808 3.949 1.00 0.00 C ATOM 2024 O GLY A 134 4.566 -19.676 3.975 1.00 0.00 O ATOM 0 H GLY A 134 0.814 -19.439 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 134 2.882 -19.802 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.979 -21.400 5.317 1.00 0.00 H new ATOM 2028 N GLN A 135 2.621 -19.360 2.907 1.00 0.00 N ATOM 2029 CA GLN A 135 3.204 -18.759 1.747 1.00 0.00 C ATOM 2030 C GLN A 135 2.503 -17.462 1.531 1.00 0.00 C ATOM 2031 O GLN A 135 1.276 -17.377 1.518 1.00 0.00 O ATOM 2032 CB GLN A 135 3.137 -19.727 0.554 1.00 0.00 C ATOM 2033 CG GLN A 135 1.755 -19.983 -0.051 1.00 0.00 C ATOM 2034 CD GLN A 135 1.819 -21.172 -0.998 1.00 0.00 C ATOM 2035 OE1 GLN A 135 2.887 -21.631 -1.400 1.00 0.00 O ATOM 2036 NE2 GLN A 135 0.595 -21.501 -1.491 1.00 0.00 N ATOM 0 H GLN A 135 1.603 -19.417 2.870 1.00 0.00 H new ATOM 0 HA GLN A 135 4.267 -18.552 1.874 1.00 0.00 H new ATOM 0 HB2 GLN A 135 3.786 -19.342 -0.233 1.00 0.00 H new ATOM 0 HB3 GLN A 135 3.552 -20.684 0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 135 1.031 -20.176 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 135 1.413 -19.098 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -0.244 -21.073 -1.100 1.00 0.00 H new ATOM 0 HE22 GLN A 135 0.516 -22.176 -2.252 1.00 0.00 H new ATOM 2045 N VAL A 136 3.149 -16.290 1.394 1.00 0.00 N ATOM 2046 CA VAL A 136 2.646 -14.975 1.646 1.00 0.00 C ATOM 2047 C VAL A 136 2.369 -14.302 0.345 1.00 0.00 C ATOM 2048 O VAL A 136 3.252 -14.216 -0.507 1.00 0.00 O ATOM 2049 CB VAL A 136 3.660 -14.270 2.497 1.00 0.00 C ATOM 2050 CG1 VAL A 136 3.804 -12.740 2.433 1.00 0.00 C ATOM 2051 CG2 VAL A 136 3.259 -14.566 3.952 1.00 0.00 C ATOM 0 H VAL A 136 4.118 -16.263 1.076 1.00 0.00 H new ATOM 0 HA VAL A 136 1.700 -14.977 2.187 1.00 0.00 H new ATOM 0 HB VAL A 136 4.611 -14.645 2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.588 -12.419 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.066 -12.441 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 136 2.860 -12.274 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 136 3.961 -14.079 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 136 2.254 -14.187 4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 136 3.278 -15.642 4.123 1.00 0.00 H new ATOM 2061 N ASN A 137 1.184 -13.687 0.187 1.00 0.00 N ATOM 2062 CA ASN A 137 0.953 -12.865 -0.961 1.00 0.00 C ATOM 2063 C ASN A 137 1.161 -11.402 -0.775 1.00 0.00 C ATOM 2064 O ASN A 137 1.711 -10.947 0.228 1.00 0.00 O ATOM 2065 CB ASN A 137 -0.436 -13.298 -1.461 1.00 0.00 C ATOM 2066 CG ASN A 137 -1.577 -12.866 -0.551 1.00 0.00 C ATOM 2067 OD1 ASN A 137 -1.811 -11.670 -0.386 1.00 0.00 O ATOM 2068 ND2 ASN A 137 -2.339 -13.844 0.007 1.00 0.00 N ATOM 0 H ASN A 137 0.401 -13.755 0.837 1.00 0.00 H new ATOM 0 HA ASN A 137 1.715 -13.025 -1.724 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -0.600 -12.883 -2.456 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -0.454 -14.383 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -3.140 -13.597 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -2.110 -14.824 -0.156 1.00 0.00 H new ATOM 2075 N TYR A 138 0.740 -10.568 -1.742 1.00 0.00 N ATOM 2076 CA TYR A 138 0.934 -9.155 -1.630 1.00 0.00 C ATOM 2077 C TYR A 138 0.046 -8.556 -0.594 1.00 0.00 C ATOM 2078 O TYR A 138 0.508 -7.822 0.277 1.00 0.00 O ATOM 2079 CB TYR A 138 0.672 -8.571 -3.029 1.00 0.00 C ATOM 2080 CG TYR A 138 0.783 -7.085 -3.061 1.00 0.00 C ATOM 2081 CD1 TYR A 138 1.965 -6.483 -2.698 1.00 0.00 C ATOM 2082 CD2 TYR A 138 -0.298 -6.321 -3.431 1.00 0.00 C ATOM 2083 CE1 TYR A 138 1.972 -5.111 -2.605 1.00 0.00 C ATOM 2084 CE2 TYR A 138 -0.260 -4.947 -3.468 1.00 0.00 C ATOM 2085 CZ TYR A 138 0.884 -4.359 -2.980 1.00 0.00 C ATOM 2086 OH TYR A 138 1.008 -2.960 -2.845 1.00 0.00 O ATOM 0 H TYR A 138 0.269 -10.868 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 138 1.947 -8.923 -1.301 1.00 0.00 H new ATOM 0 HB2 TYR A 138 1.382 -9.000 -3.736 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -0.324 -8.864 -3.360 1.00 0.00 H new ATOM 0 HD1 TYR A 138 2.852 -7.064 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -1.216 -6.821 -3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 138 2.853 -4.613 -2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -1.081 -4.363 -3.858 1.00 0.00 H new ATOM 0 HH TYR A 138 0.179 -2.528 -3.141 1.00 0.00 H new ATOM 2096 N GLU A 139 -1.249 -8.871 -0.413 1.00 0.00 N ATOM 2097 CA GLU A 139 -2.031 -8.416 0.694 1.00 0.00 C ATOM 2098 C GLU A 139 -1.486 -8.887 1.998 1.00 0.00 C ATOM 2099 O GLU A 139 -1.599 -8.190 3.005 1.00 0.00 O ATOM 2100 CB GLU A 139 -3.510 -8.798 0.512 1.00 0.00 C ATOM 2101 CG GLU A 139 -4.428 -8.316 1.638 1.00 0.00 C ATOM 2102 CD GLU A 139 -5.925 -8.533 1.468 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -6.530 -7.901 0.561 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -6.554 -9.312 2.232 1.00 0.00 O ATOM 0 H GLU A 139 -1.770 -9.463 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.971 -7.328 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.866 -8.386 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.586 -9.883 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -4.119 -8.811 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.257 -7.249 1.777 1.00 0.00 H new ATOM 2111 N GLU A 140 -0.806 -10.046 2.048 1.00 0.00 N ATOM 2112 CA GLU A 140 -0.077 -10.535 3.177 1.00 0.00 C ATOM 2113 C GLU A 140 1.146 -9.796 3.597 1.00 0.00 C ATOM 2114 O GLU A 140 1.362 -9.567 4.786 1.00 0.00 O ATOM 2115 CB GLU A 140 0.095 -12.063 3.121 1.00 0.00 C ATOM 2116 CG GLU A 140 -1.299 -12.693 3.090 1.00 0.00 C ATOM 2117 CD GLU A 140 -1.092 -14.199 3.028 1.00 0.00 C ATOM 2118 OE1 GLU A 140 -0.497 -14.731 2.052 1.00 0.00 O ATOM 2119 OE2 GLU A 140 -1.572 -14.932 3.933 1.00 0.00 O ATOM 0 H GLU A 140 -0.763 -10.680 1.251 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.730 -10.296 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.663 -12.351 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 140 0.654 -12.416 3.988 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.869 -12.416 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -1.864 -12.343 2.226 1.00 0.00 H new ATOM 2126 N PHE A 141 2.018 -9.461 2.629 1.00 0.00 N ATOM 2127 CA PHE A 141 3.210 -8.687 2.785 1.00 0.00 C ATOM 2128 C PHE A 141 2.884 -7.256 3.042 1.00 0.00 C ATOM 2129 O PHE A 141 3.618 -6.594 3.774 1.00 0.00 O ATOM 2130 CB PHE A 141 4.142 -8.777 1.565 1.00 0.00 C ATOM 2131 CG PHE A 141 5.294 -7.833 1.577 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.432 -8.185 2.263 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.348 -6.744 0.738 1.00 0.00 C ATOM 2134 CE1 PHE A 141 7.579 -7.427 2.233 1.00 0.00 C ATOM 2135 CE2 PHE A 141 6.511 -6.020 0.617 1.00 0.00 C ATOM 2136 CZ PHE A 141 7.586 -6.319 1.420 1.00 0.00 C ATOM 0 H PHE A 141 1.877 -9.755 1.663 1.00 0.00 H new ATOM 0 HA PHE A 141 3.734 -9.110 3.642 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.527 -9.794 1.496 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.554 -8.597 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.425 -9.092 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.474 -6.457 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.442 -7.692 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 141 6.579 -5.220 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.451 -5.672 1.412 1.00 0.00 H new ATOM 2146 N VAL A 142 1.739 -6.717 2.584 1.00 0.00 N ATOM 2147 CA VAL A 142 1.211 -5.438 2.944 1.00 0.00 C ATOM 2148 C VAL A 142 0.803 -5.426 4.377 1.00 0.00 C ATOM 2149 O VAL A 142 1.357 -4.606 5.107 1.00 0.00 O ATOM 2150 CB VAL A 142 0.082 -4.897 2.118 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -0.573 -3.598 2.619 1.00 0.00 C ATOM 2152 CG2 VAL A 142 0.658 -4.629 0.718 1.00 0.00 C ATOM 0 H VAL A 142 1.144 -7.209 1.918 1.00 0.00 H new ATOM 0 HA VAL A 142 2.047 -4.769 2.741 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.713 -5.642 2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.374 -3.309 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.984 -3.759 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.174 -2.805 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.125 -4.232 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.470 -3.905 0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.038 -5.560 0.297 1.00 0.00 H new ATOM 2162 N GLN A 143 -0.108 -6.293 4.853 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.393 -6.535 6.234 1.00 0.00 C ATOM 2164 C GLN A 143 0.744 -6.677 7.185 1.00 0.00 C ATOM 2165 O GLN A 143 0.702 -6.205 8.320 1.00 0.00 O ATOM 2166 CB GLN A 143 -1.365 -7.724 6.315 1.00 0.00 C ATOM 2167 CG GLN A 143 -1.983 -8.116 7.659 1.00 0.00 C ATOM 2168 CD GLN A 143 -2.679 -6.968 8.376 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -3.396 -6.206 7.729 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -2.807 -7.026 9.729 1.00 0.00 N ATOM 0 H GLN A 143 -0.683 -6.862 4.232 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.832 -5.606 6.598 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -2.186 -7.519 5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -0.840 -8.599 5.932 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.702 -8.919 7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.201 -8.514 8.305 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -2.215 -7.656 10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.495 -6.440 10.202 1.00 0.00 H new ATOM 2179 N MET A 144 1.876 -7.278 6.776 1.00 0.00 N ATOM 2180 CA MET A 144 3.083 -7.214 7.540 1.00 0.00 C ATOM 2181 C MET A 144 3.755 -5.886 7.487 1.00 0.00 C ATOM 2182 O MET A 144 4.204 -5.352 8.500 1.00 0.00 O ATOM 2183 CB MET A 144 4.115 -8.220 7.002 1.00 0.00 C ATOM 2184 CG MET A 144 5.530 -8.210 7.585 1.00 0.00 C ATOM 2185 SD MET A 144 6.154 -9.917 7.543 1.00 0.00 S ATOM 2186 CE MET A 144 6.507 -9.809 5.765 1.00 0.00 C ATOM 0 H MET A 144 1.955 -7.812 5.910 1.00 0.00 H new ATOM 0 HA MET A 144 2.774 -7.429 8.563 1.00 0.00 H new ATOM 0 HB2 MET A 144 3.706 -9.220 7.146 1.00 0.00 H new ATOM 0 HB3 MET A 144 4.200 -8.062 5.927 1.00 0.00 H new ATOM 0 HG2 MET A 144 6.178 -7.551 7.007 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.520 -7.831 8.607 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.866 -10.505 5.224 1.00 0.00 H new ATOM 0 HE2 MET A 144 6.316 -8.794 5.417 1.00 0.00 H new ATOM 0 HE3 MET A 144 7.552 -10.063 5.585 1.00 0.00 H new ATOM 2196 N MET A 145 3.810 -5.321 6.268 1.00 0.00 N ATOM 2197 CA MET A 145 4.689 -4.196 6.183 1.00 0.00 C ATOM 2198 C MET A 145 4.025 -2.974 6.715 1.00 0.00 C ATOM 2199 O MET A 145 4.667 -2.009 7.127 1.00 0.00 O ATOM 2200 CB MET A 145 5.278 -3.922 4.789 1.00 0.00 C ATOM 2201 CG MET A 145 6.467 -4.842 4.505 1.00 0.00 C ATOM 2202 SD MET A 145 8.016 -4.340 5.315 1.00 0.00 S ATOM 2203 CE MET A 145 8.901 -5.925 5.284 1.00 0.00 C ATOM 0 H MET A 145 3.308 -5.601 5.426 1.00 0.00 H new ATOM 0 HA MET A 145 5.545 -4.464 6.802 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.510 -4.070 4.030 1.00 0.00 H new ATOM 0 HB3 MET A 145 5.595 -2.881 4.722 1.00 0.00 H new ATOM 0 HG2 MET A 145 6.214 -5.852 4.827 1.00 0.00 H new ATOM 0 HG3 MET A 145 6.631 -4.882 3.428 1.00 0.00 H new ATOM 0 HE1 MET A 145 9.771 -5.869 5.939 1.00 0.00 H new ATOM 0 HE2 MET A 145 8.238 -6.719 5.628 1.00 0.00 H new ATOM 0 HE3 MET A 145 9.226 -6.140 4.266 1.00 0.00 H new