USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 657 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 33 CYS SG : rot -2:sc= 1.41 USER MOD Set 1.2: A 83 CYS SG : rot 172:sc= 1.12 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -7.14! C(o=-9.9!,f=-7.1!) USER MOD Single : A 18 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-4.7!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 20:sc= 1.1 USER MOD Single : A 30 THR OG1 : rot -19:sc= 0.805 USER MOD Single : A 32 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 37 GLN : amide:sc= -0.562 K(o=-0.56,f=-2.2) USER MOD Single : A 39 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.7!) USER MOD Single : A 40 THR OG1 : rot -170:sc= -0.429 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= 0.299 (180deg=-0.0663) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 42:sc= 0.129 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0562 K(o=-0.056,f=-0.91) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 75 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.1) USER MOD Single : A 81 TYR OH : rot 19:sc= 1.21 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.93! C(o=-1.9!,f=-2.2!) USER MOD Single : A 89 GLN : amide:sc= -1.07 K(o=-1.1,f=-4.5!) USER MOD Single : A 91 SER OG : rot 88:sc= 0.0894 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 88 N VAL A 9 6.779 17.464 3.303 1.00 0.00 N ATOM 89 CA VAL A 9 7.016 16.386 2.350 1.00 0.00 C ATOM 90 C VAL A 9 7.635 15.173 3.036 1.00 0.00 C ATOM 91 O VAL A 9 8.641 15.288 3.736 1.00 0.00 O ATOM 92 CB VAL A 9 7.940 16.842 1.206 1.00 0.00 C ATOM 93 CG1 VAL A 9 8.157 15.711 0.212 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.366 18.068 0.514 1.00 0.00 C ATOM 0 HA VAL A 9 6.046 16.110 1.936 1.00 0.00 H new ATOM 0 HB VAL A 9 8.907 17.112 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.812 16.052 -0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.616 14.863 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.198 15.407 -0.208 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.032 18.376 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.386 17.828 0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.268 18.880 1.235 1.00 0.00 H new ATOM 104 N VAL A 10 7.026 14.010 2.831 1.00 0.00 N ATOM 105 CA VAL A 10 7.517 12.774 3.429 1.00 0.00 C ATOM 106 C VAL A 10 8.152 11.870 2.378 1.00 0.00 C ATOM 107 O VAL A 10 9.199 11.267 2.613 1.00 0.00 O ATOM 108 CB VAL A 10 6.386 12.004 4.137 1.00 0.00 C ATOM 109 CG1 VAL A 10 6.960 10.922 5.039 1.00 0.00 C ATOM 110 CG2 VAL A 10 5.507 12.959 4.929 1.00 0.00 C ATOM 0 H VAL A 10 6.192 13.897 2.255 1.00 0.00 H new ATOM 0 HA VAL A 10 8.270 13.056 4.165 1.00 0.00 H new ATOM 0 HB VAL A 10 5.768 11.522 3.379 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.146 10.389 5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.544 10.222 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.602 11.379 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.713 12.398 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.110 13.471 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.067 13.693 4.254 1.00 0.00 H new ATOM 120 N PHE A 11 7.511 11.781 1.217 1.00 0.00 N ATOM 121 CA PHE A 11 8.013 10.950 0.129 1.00 0.00 C ATOM 122 C PHE A 11 8.671 11.806 -0.950 1.00 0.00 C ATOM 123 O PHE A 11 8.657 13.034 -0.877 1.00 0.00 O ATOM 124 CB PHE A 11 6.875 10.128 -0.480 1.00 0.00 C ATOM 125 CG PHE A 11 6.132 9.296 0.525 1.00 0.00 C ATOM 126 CD1 PHE A 11 6.608 8.050 0.900 1.00 0.00 C ATOM 127 CD2 PHE A 11 4.957 9.760 1.095 1.00 0.00 C ATOM 128 CE1 PHE A 11 5.927 7.282 1.826 1.00 0.00 C ATOM 129 CE2 PHE A 11 4.272 8.996 2.021 1.00 0.00 C ATOM 130 CZ PHE A 11 4.757 7.756 2.386 1.00 0.00 C ATOM 0 H PHE A 11 6.643 12.274 1.006 1.00 0.00 H new ATOM 0 HA PHE A 11 8.763 10.273 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 11 6.173 10.802 -0.971 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.282 9.474 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.522 7.674 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.573 10.729 0.813 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.309 6.313 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.358 9.369 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.222 7.157 3.109 1.00 0.00 H new ATOM 140 N ALA A 12 9.248 11.147 -1.949 1.00 0.00 N ATOM 141 CA ALA A 12 9.911 11.845 -3.044 1.00 0.00 C ATOM 142 C ALA A 12 8.915 12.675 -3.848 1.00 0.00 C ATOM 143 O ALA A 12 7.770 12.269 -4.046 1.00 0.00 O ATOM 144 CB ALA A 12 10.626 10.852 -3.948 1.00 0.00 C ATOM 0 H ALA A 12 9.270 10.130 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 12 10.648 12.524 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.116 11.388 -4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.372 10.306 -3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.902 10.149 -4.361 1.00 0.00 H new ATOM 150 N LYS A 13 9.359 13.839 -4.309 1.00 0.00 N ATOM 151 CA LYS A 13 8.507 14.727 -5.092 1.00 0.00 C ATOM 152 C LYS A 13 8.099 14.069 -6.406 1.00 0.00 C ATOM 153 O LYS A 13 7.027 14.347 -6.943 1.00 0.00 O ATOM 154 CB LYS A 13 9.232 16.045 -5.374 1.00 0.00 C ATOM 155 CG LYS A 13 10.526 15.874 -6.150 1.00 0.00 C ATOM 156 CD LYS A 13 11.716 15.707 -5.220 1.00 0.00 C ATOM 157 CE LYS A 13 12.989 16.266 -5.837 1.00 0.00 C ATOM 158 NZ LYS A 13 14.199 15.881 -5.059 1.00 0.00 N ATOM 0 H LYS A 13 10.304 14.190 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 13 7.607 14.931 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.567 16.703 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 13 9.449 16.540 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.448 15.004 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.684 16.741 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.515 16.214 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.855 14.650 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.085 15.904 -6.861 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.921 17.353 -5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.045 16.281 -5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.119 16.248 -4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.279 14.844 -5.032 1.00 0.00 H new ATOM 172 N GLU A 14 8.959 13.194 -6.917 1.00 0.00 N ATOM 173 CA GLU A 14 8.685 12.496 -8.168 1.00 0.00 C ATOM 174 C GLU A 14 8.027 11.144 -7.905 1.00 0.00 C ATOM 175 O GLU A 14 8.193 10.202 -8.678 1.00 0.00 O ATOM 176 CB GLU A 14 9.979 12.300 -8.962 1.00 0.00 C ATOM 177 CG GLU A 14 10.452 13.556 -9.674 1.00 0.00 C ATOM 178 CD GLU A 14 9.534 13.964 -10.810 1.00 0.00 C ATOM 179 OE1 GLU A 14 9.637 13.362 -11.900 1.00 0.00 O ATOM 180 OE2 GLU A 14 8.714 14.883 -10.610 1.00 0.00 O ATOM 0 H GLU A 14 9.851 12.952 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 14 7.997 13.107 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.763 11.959 -8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.828 11.510 -9.698 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.520 14.373 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.456 13.391 -10.065 1.00 0.00 H new ATOM 187 N GLN A 15 7.282 11.060 -6.808 1.00 0.00 N ATOM 188 CA GLN A 15 6.600 9.824 -6.441 1.00 0.00 C ATOM 189 C GLN A 15 5.303 9.664 -7.228 1.00 0.00 C ATOM 190 O GLN A 15 4.543 10.613 -7.417 1.00 0.00 O ATOM 191 CB GLN A 15 6.306 9.804 -4.940 1.00 0.00 C ATOM 192 CG GLN A 15 7.538 9.564 -4.082 1.00 0.00 C ATOM 193 CD GLN A 15 7.785 8.092 -3.816 1.00 0.00 C ATOM 194 OE1 GLN A 15 8.825 7.796 -3.046 1.00 0.00 O flip ATOM 195 NE2 GLN A 15 7.049 7.230 -4.297 1.00 0.00 N flip ATOM 0 H GLN A 15 7.135 11.832 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 15 7.257 8.990 -6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 15 5.854 10.754 -4.654 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.572 9.026 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 15 8.410 9.991 -4.577 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.423 10.087 -3.133 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.260 7.502 -4.884 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.228 6.244 -4.109 1.00 0.00 H new ATOM 204 N PRO A 16 5.043 8.435 -7.697 1.00 0.00 N ATOM 205 CA PRO A 16 3.838 8.122 -8.471 1.00 0.00 C ATOM 206 C PRO A 16 2.574 8.170 -7.619 1.00 0.00 C ATOM 207 O PRO A 16 2.378 7.337 -6.735 1.00 0.00 O ATOM 208 CB PRO A 16 4.095 6.696 -8.966 1.00 0.00 C ATOM 209 CG PRO A 16 5.043 6.116 -7.974 1.00 0.00 C ATOM 210 CD PRO A 16 5.906 7.256 -7.509 1.00 0.00 C ATOM 0 HA PRO A 16 3.669 8.842 -9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.170 6.121 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.522 6.696 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.507 5.667 -7.138 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.647 5.329 -8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.202 7.137 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.822 7.331 -8.094 1.00 0.00 H new ATOM 218 N ALA A 17 1.719 9.150 -7.893 1.00 0.00 N ATOM 219 CA ALA A 17 0.473 9.305 -7.153 1.00 0.00 C ATOM 220 C ALA A 17 -0.268 7.977 -7.041 1.00 0.00 C ATOM 221 O ALA A 17 -0.976 7.730 -6.065 1.00 0.00 O ATOM 222 CB ALA A 17 -0.410 10.350 -7.820 1.00 0.00 C ATOM 0 H ALA A 17 1.867 9.848 -8.622 1.00 0.00 H new ATOM 0 HA ALA A 17 0.717 9.641 -6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.337 10.456 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.112 11.307 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.638 10.037 -8.839 1.00 0.00 H new ATOM 228 N HIS A 18 -0.100 7.125 -8.047 1.00 0.00 N ATOM 229 CA HIS A 18 -0.754 5.821 -8.061 1.00 0.00 C ATOM 230 C HIS A 18 0.151 4.766 -8.691 1.00 0.00 C ATOM 231 O HIS A 18 0.648 4.945 -9.803 1.00 0.00 O ATOM 232 CB HIS A 18 -2.076 5.897 -8.825 1.00 0.00 C ATOM 233 CG HIS A 18 -2.956 4.702 -8.621 1.00 0.00 C ATOM 234 ND1 HIS A 18 -2.464 3.442 -8.357 1.00 0.00 N ATOM 235 CD2 HIS A 18 -4.304 4.582 -8.642 1.00 0.00 C ATOM 236 CE1 HIS A 18 -3.471 2.597 -8.226 1.00 0.00 C ATOM 237 NE2 HIS A 18 -4.598 3.264 -8.394 1.00 0.00 N ATOM 0 H HIS A 18 0.483 7.314 -8.863 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.956 5.533 -7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.615 6.792 -8.514 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.865 6.005 -9.889 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.015 5.375 -8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -3.387 1.541 -8.017 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.535 2.865 -8.347 1.00 0.00 H new ATOM 246 N ARG A 19 0.361 3.668 -7.973 1.00 0.00 N ATOM 247 CA ARG A 19 1.208 2.586 -8.461 1.00 0.00 C ATOM 248 C ARG A 19 0.406 1.297 -8.620 1.00 0.00 C ATOM 249 O ARG A 19 0.188 0.569 -7.653 1.00 0.00 O ATOM 250 CB ARG A 19 2.380 2.356 -7.505 1.00 0.00 C ATOM 251 CG ARG A 19 3.613 3.177 -7.845 1.00 0.00 C ATOM 252 CD ARG A 19 4.540 2.426 -8.788 1.00 0.00 C ATOM 253 NE ARG A 19 4.229 2.694 -10.190 1.00 0.00 N ATOM 254 CZ ARG A 19 3.323 2.016 -10.884 1.00 0.00 C ATOM 255 NH1 ARG A 19 2.641 1.034 -10.310 1.00 0.00 N ATOM 256 NH2 ARG A 19 3.096 2.319 -12.156 1.00 0.00 N ATOM 0 H ARG A 19 -0.044 3.504 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 19 1.596 2.875 -9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.063 2.596 -6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.644 1.298 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.310 4.118 -8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.149 3.427 -6.929 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.572 2.711 -8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.461 1.356 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 19 4.736 3.443 -10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.812 0.798 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.946 0.515 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 19 3.618 3.074 -12.602 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.400 1.797 -12.688 1.00 0.00 H new ATOM 270 N GLU A 20 -0.030 1.024 -9.846 1.00 0.00 N ATOM 271 CA GLU A 20 -0.808 -0.175 -10.130 1.00 0.00 C ATOM 272 C GLU A 20 0.090 -1.408 -10.179 1.00 0.00 C ATOM 273 O GLU A 20 0.785 -1.644 -11.168 1.00 0.00 O ATOM 274 CB GLU A 20 -1.557 -0.023 -11.455 1.00 0.00 C ATOM 275 CG GLU A 20 -2.583 1.099 -11.449 1.00 0.00 C ATOM 276 CD GLU A 20 -3.190 1.341 -12.817 1.00 0.00 C ATOM 277 OE1 GLU A 20 -2.528 1.985 -13.656 1.00 0.00 O ATOM 278 OE2 GLU A 20 -4.330 0.884 -13.048 1.00 0.00 O ATOM 0 H GLU A 20 0.143 1.617 -10.658 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.532 -0.306 -9.325 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.836 0.160 -12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.059 -0.962 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.376 0.857 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.111 2.016 -11.098 1.00 0.00 H new ATOM 285 N VAL A 21 0.071 -2.191 -9.106 1.00 0.00 N ATOM 286 CA VAL A 21 0.883 -3.400 -9.026 1.00 0.00 C ATOM 287 C VAL A 21 0.040 -4.645 -9.274 1.00 0.00 C ATOM 288 O VAL A 21 -1.169 -4.645 -9.041 1.00 0.00 O ATOM 289 CB VAL A 21 1.571 -3.524 -7.654 1.00 0.00 C ATOM 290 CG1 VAL A 21 2.690 -4.552 -7.709 1.00 0.00 C ATOM 291 CG2 VAL A 21 2.099 -2.172 -7.198 1.00 0.00 C ATOM 0 H VAL A 21 -0.498 -2.010 -8.279 1.00 0.00 H new ATOM 0 HA VAL A 21 1.646 -3.321 -9.801 1.00 0.00 H new ATOM 0 HB VAL A 21 0.834 -3.864 -6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.165 -4.626 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.279 -5.522 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.430 -4.246 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.582 -2.279 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.822 -1.800 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.272 -1.467 -7.116 1.00 0.00 H new ATOM 301 N GLN A 22 0.686 -5.705 -9.749 1.00 0.00 N ATOM 302 CA GLN A 22 -0.006 -6.958 -10.030 1.00 0.00 C ATOM 303 C GLN A 22 0.748 -8.141 -9.431 1.00 0.00 C ATOM 304 O GLN A 22 1.933 -8.039 -9.115 1.00 0.00 O ATOM 305 CB GLN A 22 -0.165 -7.150 -11.539 1.00 0.00 C ATOM 306 CG GLN A 22 1.077 -7.706 -12.216 1.00 0.00 C ATOM 307 CD GLN A 22 0.891 -7.898 -13.708 1.00 0.00 C ATOM 308 OE1 GLN A 22 1.446 -7.152 -14.516 1.00 0.00 O ATOM 309 NE2 GLN A 22 0.108 -8.903 -14.083 1.00 0.00 N ATOM 0 H GLN A 22 1.686 -5.722 -9.947 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.994 -6.910 -9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.002 -7.823 -11.725 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.419 -6.193 -11.994 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.914 -7.030 -12.042 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.338 -8.661 -11.760 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.332 -9.496 -13.380 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.053 -9.081 -15.074 1.00 0.00 H new ATOM 318 N ALA A 23 0.052 -9.263 -9.278 1.00 0.00 N ATOM 319 CA ALA A 23 0.656 -10.466 -8.719 1.00 0.00 C ATOM 320 C ALA A 23 -0.146 -11.708 -9.094 1.00 0.00 C ATOM 321 O ALA A 23 -1.306 -11.611 -9.492 1.00 0.00 O ATOM 322 CB ALA A 23 0.771 -10.346 -7.207 1.00 0.00 C ATOM 0 H ALA A 23 -0.930 -9.364 -9.533 1.00 0.00 H new ATOM 0 HA ALA A 23 1.656 -10.570 -9.141 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.224 -11.252 -6.804 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.393 -9.487 -6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.221 -10.213 -6.776 1.00 0.00 H new ATOM 328 N GLU A 24 0.481 -12.873 -8.964 1.00 0.00 N ATOM 329 CA GLU A 24 -0.176 -14.134 -9.290 1.00 0.00 C ATOM 330 C GLU A 24 -0.661 -14.838 -8.026 1.00 0.00 C ATOM 331 O GLU A 24 -0.097 -14.658 -6.948 1.00 0.00 O ATOM 332 CB GLU A 24 0.779 -15.047 -10.061 1.00 0.00 C ATOM 333 CG GLU A 24 1.056 -14.579 -11.480 1.00 0.00 C ATOM 334 CD GLU A 24 1.584 -15.690 -12.368 1.00 0.00 C ATOM 335 OE1 GLU A 24 0.764 -16.468 -12.898 1.00 0.00 O ATOM 336 OE2 GLU A 24 2.819 -15.780 -12.533 1.00 0.00 O ATOM 0 H GLU A 24 1.442 -12.970 -8.636 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.041 -13.913 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.722 -15.113 -9.519 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.359 -16.052 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.139 -14.178 -11.912 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.779 -13.764 -11.455 1.00 0.00 H new ATOM 343 N ALA A 25 -1.712 -15.639 -8.169 1.00 0.00 N ATOM 344 CA ALA A 25 -2.273 -16.372 -7.041 1.00 0.00 C ATOM 345 C ALA A 25 -1.226 -17.276 -6.398 1.00 0.00 C ATOM 346 O ALA A 25 -0.686 -18.173 -7.044 1.00 0.00 O ATOM 347 CB ALA A 25 -3.476 -17.189 -7.487 1.00 0.00 C ATOM 0 H ALA A 25 -2.192 -15.797 -9.055 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.597 -15.647 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.884 -17.731 -6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.238 -16.523 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.169 -17.899 -8.255 1.00 0.00 H new ATOM 353 N GLY A 26 -0.944 -17.033 -5.122 1.00 0.00 N ATOM 354 CA GLY A 26 0.038 -17.833 -4.414 1.00 0.00 C ATOM 355 C GLY A 26 1.436 -17.255 -4.509 1.00 0.00 C ATOM 356 O GLY A 26 2.346 -17.694 -3.807 1.00 0.00 O ATOM 0 H GLY A 26 -1.378 -16.296 -4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.249 -17.910 -3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.038 -18.845 -4.820 1.00 0.00 H new ATOM 360 N ALA A 27 1.607 -16.267 -5.382 1.00 0.00 N ATOM 361 CA ALA A 27 2.904 -15.627 -5.567 1.00 0.00 C ATOM 362 C ALA A 27 3.194 -14.640 -4.441 1.00 0.00 C ATOM 363 O ALA A 27 2.415 -14.514 -3.497 1.00 0.00 O ATOM 364 CB ALA A 27 2.958 -14.924 -6.915 1.00 0.00 C ATOM 0 H ALA A 27 0.864 -15.893 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 27 3.671 -16.401 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.932 -14.451 -7.040 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.804 -15.652 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.177 -14.165 -6.961 1.00 0.00 H new ATOM 370 N SER A 28 4.321 -13.943 -4.548 1.00 0.00 N ATOM 371 CA SER A 28 4.716 -12.970 -3.536 1.00 0.00 C ATOM 372 C SER A 28 4.910 -11.590 -4.156 1.00 0.00 C ATOM 373 O SER A 28 5.921 -11.326 -4.807 1.00 0.00 O ATOM 374 CB SER A 28 6.006 -13.417 -2.846 1.00 0.00 C ATOM 375 OG SER A 28 7.101 -13.393 -3.745 1.00 0.00 O ATOM 0 H SER A 28 4.976 -14.034 -5.325 1.00 0.00 H new ATOM 0 HA SER A 28 3.918 -12.908 -2.796 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.213 -12.764 -1.998 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.879 -14.424 -2.449 1.00 0.00 H new ATOM 0 HG SER A 28 6.889 -12.810 -4.503 1.00 0.00 H new ATOM 381 N ALA A 29 3.933 -10.713 -3.950 1.00 0.00 N ATOM 382 CA ALA A 29 3.996 -9.359 -4.486 1.00 0.00 C ATOM 383 C ALA A 29 5.012 -8.514 -3.726 1.00 0.00 C ATOM 384 O ALA A 29 5.610 -8.970 -2.751 1.00 0.00 O ATOM 385 CB ALA A 29 2.622 -8.708 -4.436 1.00 0.00 C ATOM 0 H ALA A 29 3.088 -10.916 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 29 4.320 -9.421 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.683 -7.697 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.920 -9.294 -5.030 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.277 -8.666 -3.403 1.00 0.00 H new ATOM 391 N THR A 30 5.205 -7.279 -4.179 1.00 0.00 N ATOM 392 CA THR A 30 6.151 -6.371 -3.543 1.00 0.00 C ATOM 393 C THR A 30 5.844 -4.921 -3.898 1.00 0.00 C ATOM 394 O THR A 30 6.029 -4.498 -5.040 1.00 0.00 O ATOM 395 CB THR A 30 7.600 -6.692 -3.952 1.00 0.00 C ATOM 396 OG1 THR A 30 7.911 -8.052 -3.627 1.00 0.00 O ATOM 397 CG2 THR A 30 8.579 -5.762 -3.251 1.00 0.00 C ATOM 0 H THR A 30 4.718 -6.885 -4.984 1.00 0.00 H new ATOM 0 HA THR A 30 6.047 -6.509 -2.467 1.00 0.00 H new ATOM 0 HB THR A 30 7.691 -6.546 -5.028 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.276 -8.382 -2.957 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.596 -6.008 -3.556 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.358 -4.730 -3.523 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.485 -5.881 -2.172 1.00 0.00 H new ATOM 405 N LEU A 31 5.376 -4.161 -2.914 1.00 0.00 N ATOM 406 CA LEU A 31 5.045 -2.756 -3.123 1.00 0.00 C ATOM 407 C LEU A 31 6.154 -1.851 -2.597 1.00 0.00 C ATOM 408 O LEU A 31 6.212 -1.552 -1.404 1.00 0.00 O ATOM 409 CB LEU A 31 3.723 -2.415 -2.432 1.00 0.00 C ATOM 410 CG LEU A 31 2.614 -3.461 -2.553 1.00 0.00 C ATOM 411 CD1 LEU A 31 1.424 -3.079 -1.686 1.00 0.00 C ATOM 412 CD2 LEU A 31 2.188 -3.623 -4.005 1.00 0.00 C ATOM 0 H LEU A 31 5.217 -4.494 -1.963 1.00 0.00 H new ATOM 0 HA LEU A 31 4.942 -2.588 -4.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.922 -2.246 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.354 -1.474 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 31 3.003 -4.417 -2.201 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.645 -3.835 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.738 -3.016 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.035 -2.113 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.398 -4.371 -4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.818 -2.670 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.042 -3.943 -4.601 1.00 0.00 H new ATOM 424 N SER A 32 7.031 -1.416 -3.496 1.00 0.00 N ATOM 425 CA SER A 32 8.140 -0.545 -3.123 1.00 0.00 C ATOM 426 C SER A 32 7.740 0.923 -3.234 1.00 0.00 C ATOM 427 O SER A 32 6.876 1.283 -4.035 1.00 0.00 O ATOM 428 CB SER A 32 9.355 -0.823 -4.010 1.00 0.00 C ATOM 429 OG SER A 32 10.251 0.275 -4.007 1.00 0.00 O ATOM 0 H SER A 32 6.995 -1.652 -4.488 1.00 0.00 H new ATOM 0 HA SER A 32 8.401 -0.754 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.869 -1.717 -3.658 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.026 -1.025 -5.029 1.00 0.00 H new ATOM 0 HG SER A 32 11.020 0.072 -4.580 1.00 0.00 H new ATOM 435 N CYS A 33 8.374 1.765 -2.426 1.00 0.00 N ATOM 436 CA CYS A 33 8.084 3.195 -2.432 1.00 0.00 C ATOM 437 C CYS A 33 9.223 3.983 -1.793 1.00 0.00 C ATOM 438 O CYS A 33 9.582 3.747 -0.640 1.00 0.00 O ATOM 439 CB CYS A 33 6.775 3.474 -1.691 1.00 0.00 C ATOM 440 SG CYS A 33 6.434 2.326 -0.336 1.00 0.00 S ATOM 0 H CYS A 33 9.092 1.483 -1.759 1.00 0.00 H new ATOM 0 HA CYS A 33 7.981 3.516 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.804 4.489 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.951 3.433 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 33 7.374 1.429 -0.280 1.00 0.00 H new ATOM 446 N GLU A 34 9.787 4.918 -2.551 1.00 0.00 N ATOM 447 CA GLU A 34 10.887 5.738 -2.058 1.00 0.00 C ATOM 448 C GLU A 34 10.409 6.689 -0.964 1.00 0.00 C ATOM 449 O GLU A 34 9.209 6.906 -0.796 1.00 0.00 O ATOM 450 CB GLU A 34 11.511 6.536 -3.205 1.00 0.00 C ATOM 451 CG GLU A 34 12.489 5.731 -4.045 1.00 0.00 C ATOM 452 CD GLU A 34 13.318 6.601 -4.969 1.00 0.00 C ATOM 453 OE1 GLU A 34 14.337 7.155 -4.506 1.00 0.00 O ATOM 454 OE2 GLU A 34 12.948 6.728 -6.155 1.00 0.00 O ATOM 0 H GLU A 34 9.501 5.126 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 34 11.640 5.074 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.716 6.913 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.027 7.404 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.153 5.171 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.938 5.001 -4.637 1.00 0.00 H new ATOM 461 N VAL A 35 11.357 7.253 -0.223 1.00 0.00 N ATOM 462 CA VAL A 35 11.034 8.181 0.854 1.00 0.00 C ATOM 463 C VAL A 35 12.035 9.330 0.908 1.00 0.00 C ATOM 464 O VAL A 35 13.232 9.135 0.701 1.00 0.00 O ATOM 465 CB VAL A 35 11.013 7.469 2.220 1.00 0.00 C ATOM 466 CG1 VAL A 35 9.728 6.673 2.387 1.00 0.00 C ATOM 467 CG2 VAL A 35 12.231 6.571 2.372 1.00 0.00 C ATOM 0 H VAL A 35 12.355 7.084 -0.349 1.00 0.00 H new ATOM 0 HA VAL A 35 10.041 8.578 0.643 1.00 0.00 H new ATOM 0 HB VAL A 35 11.048 8.225 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.731 6.177 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.873 7.346 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.658 5.925 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 35 12.199 6.076 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 35 12.230 5.820 1.582 1.00 0.00 H new ATOM 0 HG23 VAL A 35 13.137 7.172 2.301 1.00 0.00 H new ATOM 477 N ALA A 36 11.535 10.530 1.188 1.00 0.00 N ATOM 478 CA ALA A 36 12.385 11.710 1.272 1.00 0.00 C ATOM 479 C ALA A 36 13.384 11.588 2.417 1.00 0.00 C ATOM 480 O ALA A 36 14.376 12.315 2.468 1.00 0.00 O ATOM 481 CB ALA A 36 11.536 12.961 1.441 1.00 0.00 C ATOM 0 H ALA A 36 10.546 10.709 1.360 1.00 0.00 H new ATOM 0 HA ALA A 36 12.947 11.788 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 36 12.184 13.835 1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.867 13.065 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.948 12.881 2.355 1.00 0.00 H new ATOM 487 N GLN A 37 13.116 10.664 3.334 1.00 0.00 N ATOM 488 CA GLN A 37 13.992 10.448 4.480 1.00 0.00 C ATOM 489 C GLN A 37 13.974 8.985 4.910 1.00 0.00 C ATOM 490 O GLN A 37 12.978 8.285 4.726 1.00 0.00 O ATOM 491 CB GLN A 37 13.569 11.341 5.647 1.00 0.00 C ATOM 492 CG GLN A 37 13.513 12.818 5.294 1.00 0.00 C ATOM 493 CD GLN A 37 14.888 13.418 5.077 1.00 0.00 C ATOM 494 OE1 GLN A 37 15.906 12.767 5.312 1.00 0.00 O ATOM 495 NE2 GLN A 37 14.925 14.667 4.626 1.00 0.00 N ATOM 0 H GLN A 37 12.300 10.053 3.306 1.00 0.00 H new ATOM 0 HA GLN A 37 15.008 10.708 4.183 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.588 11.023 6.000 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.266 11.200 6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 37 12.917 12.950 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 37 13.006 13.360 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.056 15.170 4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.822 15.123 4.461 1.00 0.00 H new ATOM 504 N ALA A 38 15.082 8.529 5.485 1.00 0.00 N ATOM 505 CA ALA A 38 15.193 7.149 5.943 1.00 0.00 C ATOM 506 C ALA A 38 14.606 6.987 7.341 1.00 0.00 C ATOM 507 O ALA A 38 13.669 6.215 7.544 1.00 0.00 O ATOM 508 CB ALA A 38 16.647 6.702 5.924 1.00 0.00 C ATOM 0 H ALA A 38 15.915 9.095 5.645 1.00 0.00 H new ATOM 0 HA ALA A 38 14.622 6.518 5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 38 16.715 5.670 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 38 17.036 6.772 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.233 7.343 6.582 1.00 0.00 H new ATOM 514 N GLN A 39 15.163 7.718 8.301 1.00 0.00 N ATOM 515 CA GLN A 39 14.694 7.653 9.680 1.00 0.00 C ATOM 516 C GLN A 39 13.170 7.634 9.737 1.00 0.00 C ATOM 517 O GLN A 39 12.578 6.971 10.589 1.00 0.00 O ATOM 518 CB GLN A 39 15.231 8.841 10.480 1.00 0.00 C ATOM 519 CG GLN A 39 14.767 10.189 9.953 1.00 0.00 C ATOM 520 CD GLN A 39 15.773 11.294 10.211 1.00 0.00 C ATOM 521 OE1 GLN A 39 16.977 11.047 10.290 1.00 0.00 O ATOM 522 NE2 GLN A 39 15.284 12.521 10.343 1.00 0.00 N ATOM 0 H GLN A 39 15.939 8.362 8.149 1.00 0.00 H new ATOM 0 HA GLN A 39 15.067 6.728 10.121 1.00 0.00 H new ATOM 0 HB2 GLN A 39 14.919 8.739 11.519 1.00 0.00 H new ATOM 0 HB3 GLN A 39 16.321 8.812 10.470 1.00 0.00 H new ATOM 0 HG2 GLN A 39 14.584 10.112 8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.818 10.451 10.421 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.279 12.680 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 39 15.913 13.305 10.517 1.00 0.00 H new ATOM 531 N THR A 40 12.540 8.366 8.824 1.00 0.00 N ATOM 532 CA THR A 40 11.085 8.434 8.771 1.00 0.00 C ATOM 533 C THR A 40 10.473 7.043 8.656 1.00 0.00 C ATOM 534 O THR A 40 10.932 6.216 7.869 1.00 0.00 O ATOM 535 CB THR A 40 10.606 9.293 7.585 1.00 0.00 C ATOM 536 OG1 THR A 40 11.060 10.642 7.742 1.00 0.00 O ATOM 537 CG2 THR A 40 9.088 9.272 7.480 1.00 0.00 C ATOM 0 H THR A 40 13.015 8.920 8.111 1.00 0.00 H new ATOM 0 HA THR A 40 10.756 8.896 9.702 1.00 0.00 H new ATOM 0 HB THR A 40 11.024 8.874 6.669 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.625 11.213 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.773 9.885 6.636 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.748 8.247 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.654 9.668 8.398 1.00 0.00 H new ATOM 545 N GLU A 41 9.433 6.792 9.446 1.00 0.00 N ATOM 546 CA GLU A 41 8.759 5.499 9.432 1.00 0.00 C ATOM 547 C GLU A 41 7.464 5.570 8.627 1.00 0.00 C ATOM 548 O GLU A 41 6.847 6.629 8.515 1.00 0.00 O ATOM 549 CB GLU A 41 8.461 5.039 10.860 1.00 0.00 C ATOM 550 CG GLU A 41 9.591 4.244 11.492 1.00 0.00 C ATOM 551 CD GLU A 41 9.137 3.439 12.694 1.00 0.00 C ATOM 552 OE1 GLU A 41 9.114 4.000 13.809 1.00 0.00 O ATOM 553 OE2 GLU A 41 8.804 2.248 12.520 1.00 0.00 O ATOM 0 H GLU A 41 9.040 7.466 10.103 1.00 0.00 H new ATOM 0 HA GLU A 41 9.423 4.776 8.957 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.253 5.912 11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 41 7.558 4.429 10.855 1.00 0.00 H new ATOM 0 HG2 GLU A 41 10.017 3.570 10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 41 10.385 4.926 11.795 1.00 0.00 H new ATOM 560 N VAL A 42 7.058 4.434 8.069 1.00 0.00 N ATOM 561 CA VAL A 42 5.837 4.366 7.275 1.00 0.00 C ATOM 562 C VAL A 42 4.905 3.276 7.794 1.00 0.00 C ATOM 563 O VAL A 42 5.341 2.331 8.451 1.00 0.00 O ATOM 564 CB VAL A 42 6.147 4.097 5.790 1.00 0.00 C ATOM 565 CG1 VAL A 42 7.210 5.060 5.284 1.00 0.00 C ATOM 566 CG2 VAL A 42 6.584 2.654 5.591 1.00 0.00 C ATOM 0 H VAL A 42 7.557 3.548 8.152 1.00 0.00 H new ATOM 0 HA VAL A 42 5.346 5.335 7.366 1.00 0.00 H new ATOM 0 HB VAL A 42 5.238 4.260 5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.416 4.855 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.853 6.084 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.123 4.931 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.799 2.481 4.537 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.480 2.461 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.786 1.985 5.913 1.00 0.00 H new ATOM 576 N THR A 43 3.617 3.415 7.494 1.00 0.00 N ATOM 577 CA THR A 43 2.622 2.444 7.930 1.00 0.00 C ATOM 578 C THR A 43 1.639 2.123 6.810 1.00 0.00 C ATOM 579 O THR A 43 0.792 2.946 6.460 1.00 0.00 O ATOM 580 CB THR A 43 1.839 2.953 9.155 1.00 0.00 C ATOM 581 OG1 THR A 43 2.744 3.259 10.222 1.00 0.00 O ATOM 582 CG2 THR A 43 0.829 1.915 9.621 1.00 0.00 C ATOM 0 H THR A 43 3.239 4.191 6.951 1.00 0.00 H new ATOM 0 HA THR A 43 3.163 1.539 8.205 1.00 0.00 H new ATOM 0 HB THR A 43 1.301 3.856 8.866 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.239 3.583 10.997 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.288 2.297 10.487 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.124 1.706 8.816 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.350 0.997 9.894 1.00 0.00 H new ATOM 590 N TRP A 44 1.756 0.924 6.252 1.00 0.00 N ATOM 591 CA TRP A 44 0.875 0.495 5.171 1.00 0.00 C ATOM 592 C TRP A 44 -0.571 0.413 5.647 1.00 0.00 C ATOM 593 O TRP A 44 -0.833 0.212 6.833 1.00 0.00 O ATOM 594 CB TRP A 44 1.325 -0.863 4.628 1.00 0.00 C ATOM 595 CG TRP A 44 2.679 -0.827 3.987 1.00 0.00 C ATOM 596 CD1 TRP A 44 3.882 -1.025 4.603 1.00 0.00 C ATOM 597 CD2 TRP A 44 2.968 -0.578 2.607 1.00 0.00 C ATOM 598 NE1 TRP A 44 4.902 -0.913 3.688 1.00 0.00 N ATOM 599 CE2 TRP A 44 4.367 -0.640 2.457 1.00 0.00 C ATOM 600 CE3 TRP A 44 2.181 -0.310 1.484 1.00 0.00 C ATOM 601 CZ2 TRP A 44 4.993 -0.442 1.229 1.00 0.00 C ATOM 602 CZ3 TRP A 44 2.804 -0.114 0.266 1.00 0.00 C ATOM 603 CH2 TRP A 44 4.198 -0.181 0.146 1.00 0.00 C ATOM 0 H TRP A 44 2.452 0.232 6.529 1.00 0.00 H new ATOM 0 HA TRP A 44 0.933 1.235 4.373 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.336 -1.587 5.443 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.595 -1.215 3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 44 4.013 -1.238 5.654 1.00 0.00 H new ATOM 0 HE1 TRP A 44 5.896 -1.016 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.105 -0.257 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 6.068 -0.493 1.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.206 0.094 -0.609 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.654 -0.024 -0.820 1.00 0.00 H new ATOM 614 N TYR A 45 -1.505 0.568 4.716 1.00 0.00 N ATOM 615 CA TYR A 45 -2.925 0.514 5.042 1.00 0.00 C ATOM 616 C TYR A 45 -3.715 -0.162 3.925 1.00 0.00 C ATOM 617 O TYR A 45 -3.542 0.153 2.747 1.00 0.00 O ATOM 618 CB TYR A 45 -3.469 1.922 5.285 1.00 0.00 C ATOM 619 CG TYR A 45 -3.055 2.510 6.615 1.00 0.00 C ATOM 620 CD1 TYR A 45 -3.750 2.204 7.778 1.00 0.00 C ATOM 621 CD2 TYR A 45 -1.969 3.372 6.708 1.00 0.00 C ATOM 622 CE1 TYR A 45 -3.376 2.739 8.996 1.00 0.00 C ATOM 623 CE2 TYR A 45 -1.587 3.911 7.922 1.00 0.00 C ATOM 624 CZ TYR A 45 -2.293 3.591 9.062 1.00 0.00 C ATOM 625 OH TYR A 45 -1.917 4.126 10.273 1.00 0.00 O ATOM 0 H TYR A 45 -1.305 0.732 3.729 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.040 -0.074 5.952 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -3.126 2.578 4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.557 1.896 5.232 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.597 1.536 7.730 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.414 3.625 5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.928 2.492 9.891 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.740 4.579 7.977 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.136 4.704 10.147 1.00 0.00 H new ATOM 635 N LYS A 46 -4.583 -1.094 4.303 1.00 0.00 N ATOM 636 CA LYS A 46 -5.403 -1.815 3.336 1.00 0.00 C ATOM 637 C LYS A 46 -6.884 -1.519 3.550 1.00 0.00 C ATOM 638 O LYS A 46 -7.483 -1.973 4.525 1.00 0.00 O ATOM 639 CB LYS A 46 -5.152 -3.321 3.447 1.00 0.00 C ATOM 640 CG LYS A 46 -5.668 -4.112 2.258 1.00 0.00 C ATOM 641 CD LYS A 46 -5.261 -5.574 2.342 1.00 0.00 C ATOM 642 CE LYS A 46 -5.958 -6.408 1.278 1.00 0.00 C ATOM 643 NZ LYS A 46 -7.403 -6.598 1.580 1.00 0.00 N ATOM 0 H LYS A 46 -4.737 -1.368 5.273 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.124 -1.478 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.081 -3.496 3.552 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.626 -3.694 4.355 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.755 -4.038 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.282 -3.678 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.181 -5.660 2.223 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.505 -5.965 3.330 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.851 -5.922 0.308 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.472 -7.381 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.706 -7.537 1.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.556 -6.524 2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.959 -5.865 1.094 1.00 0.00 H new ATOM 657 N ASP A 47 -7.468 -0.757 2.632 1.00 0.00 N ATOM 658 CA ASP A 47 -8.880 -0.402 2.718 1.00 0.00 C ATOM 659 C ASP A 47 -9.171 0.358 4.009 1.00 0.00 C ATOM 660 O ASP A 47 -10.193 0.134 4.656 1.00 0.00 O ATOM 661 CB ASP A 47 -9.748 -1.659 2.645 1.00 0.00 C ATOM 662 CG ASP A 47 -9.999 -2.107 1.218 1.00 0.00 C ATOM 663 OD1 ASP A 47 -10.558 -1.311 0.435 1.00 0.00 O ATOM 664 OD2 ASP A 47 -9.635 -3.254 0.885 1.00 0.00 O ATOM 0 H ASP A 47 -6.986 -0.373 1.819 1.00 0.00 H new ATOM 0 HA ASP A 47 -9.119 0.245 1.874 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.263 -2.465 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.702 -1.467 3.136 1.00 0.00 H new ATOM 669 N GLY A 48 -8.264 1.258 4.377 1.00 0.00 N ATOM 670 CA GLY A 48 -8.441 2.036 5.589 1.00 0.00 C ATOM 671 C GLY A 48 -8.310 1.195 6.843 1.00 0.00 C ATOM 672 O GLY A 48 -9.047 1.388 7.810 1.00 0.00 O ATOM 0 H GLY A 48 -7.410 1.462 3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.702 2.837 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.423 2.509 5.573 1.00 0.00 H new ATOM 676 N LYS A 49 -7.369 0.257 6.828 1.00 0.00 N ATOM 677 CA LYS A 49 -7.142 -0.618 7.972 1.00 0.00 C ATOM 678 C LYS A 49 -5.651 -0.865 8.181 1.00 0.00 C ATOM 679 O LYS A 49 -4.963 -1.366 7.292 1.00 0.00 O ATOM 680 CB LYS A 49 -7.867 -1.951 7.772 1.00 0.00 C ATOM 681 CG LYS A 49 -9.377 -1.815 7.688 1.00 0.00 C ATOM 682 CD LYS A 49 -10.018 -1.845 9.065 1.00 0.00 C ATOM 683 CE LYS A 49 -11.423 -1.262 9.039 1.00 0.00 C ATOM 684 NZ LYS A 49 -12.441 -2.284 8.668 1.00 0.00 N ATOM 0 H LYS A 49 -6.751 0.083 6.035 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.539 -0.125 8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.501 -2.420 6.859 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -7.616 -2.619 8.596 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.632 -0.881 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.783 -2.623 7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -10.056 -2.872 9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.402 -1.282 9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.663 -0.849 10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.461 -0.437 8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -13.385 -1.847 8.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -12.227 -2.660 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -12.423 -3.059 9.361 1.00 0.00 H new ATOM 698 N LYS A 50 -5.158 -0.511 9.364 1.00 0.00 N ATOM 699 CA LYS A 50 -3.750 -0.696 9.692 1.00 0.00 C ATOM 700 C LYS A 50 -3.314 -2.134 9.427 1.00 0.00 C ATOM 701 O LYS A 50 -3.847 -3.074 10.017 1.00 0.00 O ATOM 702 CB LYS A 50 -3.495 -0.336 11.157 1.00 0.00 C ATOM 703 CG LYS A 50 -2.084 0.159 11.426 1.00 0.00 C ATOM 704 CD LYS A 50 -1.866 0.447 12.901 1.00 0.00 C ATOM 705 CE LYS A 50 -2.278 1.866 13.260 1.00 0.00 C ATOM 706 NZ LYS A 50 -2.380 2.059 14.733 1.00 0.00 N ATOM 0 H LYS A 50 -5.714 -0.094 10.111 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.164 -0.034 9.054 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.205 0.433 11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.688 -1.212 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.365 -0.588 11.090 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.898 1.063 10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.439 -0.261 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.815 0.298 13.150 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.552 2.569 12.851 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.238 2.093 12.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.663 3.039 14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.091 1.406 15.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.457 1.867 15.173 1.00 0.00 H new ATOM 720 N LEU A 51 -2.340 -2.297 8.538 1.00 0.00 N ATOM 721 CA LEU A 51 -1.831 -3.621 8.197 1.00 0.00 C ATOM 722 C LEU A 51 -0.792 -4.084 9.213 1.00 0.00 C ATOM 723 O LEU A 51 -0.120 -3.268 9.844 1.00 0.00 O ATOM 724 CB LEU A 51 -1.218 -3.607 6.795 1.00 0.00 C ATOM 725 CG LEU A 51 -2.204 -3.479 5.633 1.00 0.00 C ATOM 726 CD1 LEU A 51 -1.555 -2.765 4.458 1.00 0.00 C ATOM 727 CD2 LEU A 51 -2.712 -4.851 5.211 1.00 0.00 C ATOM 0 H LEU A 51 -1.887 -1.530 8.041 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.667 -4.320 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.510 -2.780 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.646 -4.525 6.661 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.055 -2.885 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.272 -2.683 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.241 -1.768 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.686 -3.331 4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.412 -4.741 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.871 -5.469 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.216 -5.327 6.052 1.00 0.00 H new ATOM 739 N SER A 52 -0.665 -5.398 9.365 1.00 0.00 N ATOM 740 CA SER A 52 0.291 -5.970 10.306 1.00 0.00 C ATOM 741 C SER A 52 1.288 -6.872 9.586 1.00 0.00 C ATOM 742 O SER A 52 0.961 -7.498 8.578 1.00 0.00 O ATOM 743 CB SER A 52 -0.441 -6.763 11.391 1.00 0.00 C ATOM 744 OG SER A 52 0.475 -7.366 12.288 1.00 0.00 O ATOM 0 H SER A 52 -1.212 -6.087 8.849 1.00 0.00 H new ATOM 0 HA SER A 52 0.839 -5.151 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.110 -6.101 11.940 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.061 -7.531 10.929 1.00 0.00 H new ATOM 0 HG SER A 52 -0.018 -7.865 12.972 1.00 0.00 H new ATOM 750 N SER A 53 2.507 -6.934 10.113 1.00 0.00 N ATOM 751 CA SER A 53 3.555 -7.757 9.519 1.00 0.00 C ATOM 752 C SER A 53 3.532 -9.168 10.099 1.00 0.00 C ATOM 753 O SER A 53 3.804 -9.369 11.282 1.00 0.00 O ATOM 754 CB SER A 53 4.927 -7.120 9.753 1.00 0.00 C ATOM 755 OG SER A 53 5.068 -6.694 11.097 1.00 0.00 O ATOM 0 H SER A 53 2.793 -6.425 10.949 1.00 0.00 H new ATOM 0 HA SER A 53 3.369 -7.820 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.711 -7.838 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.056 -6.270 9.083 1.00 0.00 H new ATOM 0 HG SER A 53 4.701 -7.377 11.697 1.00 0.00 H new ATOM 761 N SER A 54 3.205 -10.142 9.255 1.00 0.00 N ATOM 762 CA SER A 54 3.142 -11.534 9.683 1.00 0.00 C ATOM 763 C SER A 54 3.667 -12.462 8.591 1.00 0.00 C ATOM 764 O SER A 54 4.047 -12.013 7.510 1.00 0.00 O ATOM 765 CB SER A 54 1.705 -11.914 10.044 1.00 0.00 C ATOM 766 OG SER A 54 1.436 -11.652 11.410 1.00 0.00 O ATOM 0 H SER A 54 2.980 -9.992 8.271 1.00 0.00 H new ATOM 0 HA SER A 54 3.772 -11.646 10.565 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.009 -11.354 9.419 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.541 -12.971 9.834 1.00 0.00 H new ATOM 0 HG SER A 54 0.511 -11.902 11.615 1.00 0.00 H new ATOM 772 N SER A 55 3.683 -13.759 8.883 1.00 0.00 N ATOM 773 CA SER A 55 4.165 -14.751 7.928 1.00 0.00 C ATOM 774 C SER A 55 3.689 -14.422 6.517 1.00 0.00 C ATOM 775 O SER A 55 4.424 -14.597 5.544 1.00 0.00 O ATOM 776 CB SER A 55 3.685 -16.148 8.328 1.00 0.00 C ATOM 777 OG SER A 55 4.518 -16.706 9.330 1.00 0.00 O ATOM 0 H SER A 55 3.368 -14.147 9.772 1.00 0.00 H new ATOM 0 HA SER A 55 5.255 -14.731 7.939 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.659 -16.093 8.693 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.678 -16.798 7.453 1.00 0.00 H new ATOM 0 HG SER A 55 4.189 -17.598 9.569 1.00 0.00 H new ATOM 783 N LYS A 56 2.454 -13.943 6.411 1.00 0.00 N ATOM 784 CA LYS A 56 1.878 -13.588 5.120 1.00 0.00 C ATOM 785 C LYS A 56 2.524 -12.322 4.566 1.00 0.00 C ATOM 786 O LYS A 56 3.276 -12.372 3.593 1.00 0.00 O ATOM 787 CB LYS A 56 0.367 -13.386 5.251 1.00 0.00 C ATOM 788 CG LYS A 56 -0.422 -14.684 5.249 1.00 0.00 C ATOM 789 CD LYS A 56 -1.892 -14.444 5.549 1.00 0.00 C ATOM 790 CE LYS A 56 -2.770 -15.528 4.941 1.00 0.00 C ATOM 791 NZ LYS A 56 -4.213 -15.299 5.229 1.00 0.00 N ATOM 0 H LYS A 56 1.832 -13.792 7.205 1.00 0.00 H new ATOM 0 HA LYS A 56 2.070 -14.407 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.160 -12.846 6.175 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.020 -12.758 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.323 -15.170 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.005 -15.365 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -2.044 -14.414 6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.190 -13.471 5.158 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.615 -15.558 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.471 -16.500 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.778 -16.059 4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.365 -15.295 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.505 -14.383 4.833 1.00 0.00 H new ATOM 805 N VAL A 57 2.228 -11.188 5.194 1.00 0.00 N ATOM 806 CA VAL A 57 2.782 -9.910 4.765 1.00 0.00 C ATOM 807 C VAL A 57 4.049 -9.571 5.543 1.00 0.00 C ATOM 808 O VAL A 57 4.092 -9.704 6.766 1.00 0.00 O ATOM 809 CB VAL A 57 1.763 -8.768 4.943 1.00 0.00 C ATOM 810 CG1 VAL A 57 2.382 -7.434 4.554 1.00 0.00 C ATOM 811 CG2 VAL A 57 0.509 -9.042 4.127 1.00 0.00 C ATOM 0 H VAL A 57 1.608 -11.129 6.001 1.00 0.00 H new ATOM 0 HA VAL A 57 3.024 -10.010 3.707 1.00 0.00 H new ATOM 0 HB VAL A 57 1.481 -8.717 5.995 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.647 -6.640 4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.248 -7.237 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.695 -7.469 3.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.200 -8.226 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.771 -9.121 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.056 -9.976 4.459 1.00 0.00 H new ATOM 821 N ARG A 58 5.078 -9.133 4.825 1.00 0.00 N ATOM 822 CA ARG A 58 6.347 -8.776 5.447 1.00 0.00 C ATOM 823 C ARG A 58 6.752 -7.352 5.077 1.00 0.00 C ATOM 824 O ARG A 58 6.933 -7.033 3.902 1.00 0.00 O ATOM 825 CB ARG A 58 7.441 -9.757 5.022 1.00 0.00 C ATOM 826 CG ARG A 58 8.811 -9.424 5.592 1.00 0.00 C ATOM 827 CD ARG A 58 9.847 -10.462 5.191 1.00 0.00 C ATOM 828 NE ARG A 58 11.211 -9.990 5.418 1.00 0.00 N ATOM 829 CZ ARG A 58 11.746 -9.842 6.624 1.00 0.00 C ATOM 830 NH1 ARG A 58 11.037 -10.127 7.707 1.00 0.00 N ATOM 831 NH2 ARG A 58 12.994 -9.407 6.749 1.00 0.00 N ATOM 0 H ARG A 58 5.058 -9.017 3.812 1.00 0.00 H new ATOM 0 HA ARG A 58 6.221 -8.830 6.528 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.160 -10.762 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.503 -9.771 3.934 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.124 -8.441 5.240 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.751 -9.369 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.681 -11.378 5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.721 -10.712 4.138 1.00 0.00 H new ATOM 0 HE ARG A 58 11.784 -9.762 4.605 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.078 -10.461 7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.451 -10.012 8.632 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.543 -9.186 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.404 -9.294 7.676 1.00 0.00 H new ATOM 845 N VAL A 59 6.893 -6.501 6.088 1.00 0.00 N ATOM 846 CA VAL A 59 7.278 -5.112 5.870 1.00 0.00 C ATOM 847 C VAL A 59 8.786 -4.931 6.003 1.00 0.00 C ATOM 848 O VAL A 59 9.341 -5.060 7.094 1.00 0.00 O ATOM 849 CB VAL A 59 6.570 -4.170 6.862 1.00 0.00 C ATOM 850 CG1 VAL A 59 6.951 -2.723 6.591 1.00 0.00 C ATOM 851 CG2 VAL A 59 5.061 -4.356 6.788 1.00 0.00 C ATOM 0 H VAL A 59 6.746 -6.749 7.066 1.00 0.00 H new ATOM 0 HA VAL A 59 6.972 -4.856 4.856 1.00 0.00 H new ATOM 0 HB VAL A 59 6.896 -4.422 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.441 -2.073 7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.029 -2.604 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.657 -2.453 5.577 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.576 -3.683 7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.716 -4.132 5.779 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.809 -5.387 7.037 1.00 0.00 H new ATOM 861 N GLU A 60 9.442 -4.633 4.886 1.00 0.00 N ATOM 862 CA GLU A 60 10.887 -4.435 4.880 1.00 0.00 C ATOM 863 C GLU A 60 11.233 -2.959 4.706 1.00 0.00 C ATOM 864 O GLU A 60 10.526 -2.221 4.022 1.00 0.00 O ATOM 865 CB GLU A 60 11.531 -5.256 3.760 1.00 0.00 C ATOM 866 CG GLU A 60 11.732 -6.719 4.118 1.00 0.00 C ATOM 867 CD GLU A 60 12.980 -6.950 4.949 1.00 0.00 C ATOM 868 OE1 GLU A 60 12.963 -6.610 6.150 1.00 0.00 O ATOM 869 OE2 GLU A 60 13.972 -7.471 4.398 1.00 0.00 O ATOM 0 H GLU A 60 8.997 -4.523 3.975 1.00 0.00 H new ATOM 0 HA GLU A 60 11.279 -4.772 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.907 -5.191 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 60 12.496 -4.816 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.862 -7.077 4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.795 -7.308 3.203 1.00 0.00 H new ATOM 876 N ALA A 61 12.326 -2.536 5.333 1.00 0.00 N ATOM 877 CA ALA A 61 12.768 -1.150 5.247 1.00 0.00 C ATOM 878 C ALA A 61 14.266 -1.067 4.977 1.00 0.00 C ATOM 879 O ALA A 61 15.077 -1.092 5.903 1.00 0.00 O ATOM 880 CB ALA A 61 12.419 -0.405 6.527 1.00 0.00 C ATOM 0 H ALA A 61 12.922 -3.134 5.906 1.00 0.00 H new ATOM 0 HA ALA A 61 12.248 -0.680 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 61 12.755 0.629 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 11.340 -0.426 6.677 1.00 0.00 H new ATOM 0 HB3 ALA A 61 12.912 -0.884 7.373 1.00 0.00 H new ATOM 886 N VAL A 62 14.628 -0.968 3.702 1.00 0.00 N ATOM 887 CA VAL A 62 16.030 -0.881 3.309 1.00 0.00 C ATOM 888 C VAL A 62 16.415 0.553 2.962 1.00 0.00 C ATOM 889 O VAL A 62 16.037 1.072 1.912 1.00 0.00 O ATOM 890 CB VAL A 62 16.332 -1.789 2.102 1.00 0.00 C ATOM 891 CG1 VAL A 62 16.133 -3.251 2.471 1.00 0.00 C ATOM 892 CG2 VAL A 62 15.461 -1.405 0.916 1.00 0.00 C ATOM 0 H VAL A 62 13.970 -0.946 2.923 1.00 0.00 H new ATOM 0 HA VAL A 62 16.620 -1.216 4.162 1.00 0.00 H new ATOM 0 HB VAL A 62 17.375 -1.651 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 62 16.351 -3.877 1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 62 16.804 -3.515 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 62 15.101 -3.410 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 62 15.688 -2.057 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 62 14.410 -1.513 1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 62 15.660 -0.370 0.639 1.00 0.00 H new ATOM 902 N GLY A 63 17.171 1.189 3.852 1.00 0.00 N ATOM 903 CA GLY A 63 17.596 2.557 3.622 1.00 0.00 C ATOM 904 C GLY A 63 16.436 3.477 3.293 1.00 0.00 C ATOM 905 O GLY A 63 15.646 3.829 4.169 1.00 0.00 O ATOM 0 H GLY A 63 17.497 0.781 4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 63 18.110 2.928 4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.316 2.578 2.804 1.00 0.00 H new ATOM 909 N CYS A 64 16.334 3.868 2.027 1.00 0.00 N ATOM 910 CA CYS A 64 15.264 4.754 1.585 1.00 0.00 C ATOM 911 C CYS A 64 14.300 4.022 0.657 1.00 0.00 C ATOM 912 O CYS A 64 13.827 4.581 -0.333 1.00 0.00 O ATOM 913 CB CYS A 64 15.847 5.976 0.873 1.00 0.00 C ATOM 914 SG CYS A 64 16.477 7.251 1.990 1.00 0.00 S ATOM 0 H CYS A 64 16.979 3.585 1.289 1.00 0.00 H new ATOM 0 HA CYS A 64 14.712 5.084 2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.655 5.650 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 64 15.078 6.414 0.237 1.00 0.00 H new ATOM 0 HG CYS A 64 16.951 8.242 1.294 1.00 0.00 H new ATOM 920 N THR A 65 14.013 2.766 0.983 1.00 0.00 N ATOM 921 CA THR A 65 13.107 1.955 0.178 1.00 0.00 C ATOM 922 C THR A 65 12.184 1.123 1.060 1.00 0.00 C ATOM 923 O THR A 65 12.635 0.236 1.785 1.00 0.00 O ATOM 924 CB THR A 65 13.883 1.016 -0.765 1.00 0.00 C ATOM 925 OG1 THR A 65 14.399 1.755 -1.877 1.00 0.00 O ATOM 926 CG2 THR A 65 12.987 -0.106 -1.267 1.00 0.00 C ATOM 0 H THR A 65 14.395 2.288 1.799 1.00 0.00 H new ATOM 0 HA THR A 65 12.510 2.644 -0.419 1.00 0.00 H new ATOM 0 HB THR A 65 14.710 0.578 -0.206 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.892 1.151 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.556 -0.757 -1.931 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.619 -0.685 -0.420 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.143 0.318 -1.810 1.00 0.00 H new ATOM 934 N ARG A 66 10.889 1.412 0.992 1.00 0.00 N ATOM 935 CA ARG A 66 9.901 0.690 1.785 1.00 0.00 C ATOM 936 C ARG A 66 9.107 -0.278 0.913 1.00 0.00 C ATOM 937 O ARG A 66 8.203 0.127 0.183 1.00 0.00 O ATOM 938 CB ARG A 66 8.950 1.672 2.472 1.00 0.00 C ATOM 939 CG ARG A 66 9.659 2.706 3.331 1.00 0.00 C ATOM 940 CD ARG A 66 10.244 2.081 4.588 1.00 0.00 C ATOM 941 NE ARG A 66 11.038 3.036 5.356 1.00 0.00 N ATOM 942 CZ ARG A 66 12.269 3.406 5.021 1.00 0.00 C ATOM 943 NH1 ARG A 66 12.844 2.903 3.938 1.00 0.00 N ATOM 944 NH2 ARG A 66 12.927 4.280 5.772 1.00 0.00 N ATOM 0 H ARG A 66 10.499 2.142 0.395 1.00 0.00 H new ATOM 0 HA ARG A 66 10.431 0.116 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.361 2.186 1.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.251 1.113 3.094 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.455 3.176 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.958 3.493 3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.436 1.697 5.211 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.867 1.230 4.313 1.00 0.00 H new ATOM 0 HE ARG A 66 10.625 3.441 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.341 2.230 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.789 3.189 3.683 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.488 4.668 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.872 4.564 5.515 1.00 0.00 H new ATOM 958 N ARG A 67 9.451 -1.559 0.996 1.00 0.00 N ATOM 959 CA ARG A 67 8.772 -2.585 0.213 1.00 0.00 C ATOM 960 C ARG A 67 7.885 -3.450 1.105 1.00 0.00 C ATOM 961 O ARG A 67 8.194 -3.673 2.276 1.00 0.00 O ATOM 962 CB ARG A 67 9.793 -3.462 -0.513 1.00 0.00 C ATOM 963 CG ARG A 67 10.535 -4.421 0.403 1.00 0.00 C ATOM 964 CD ARG A 67 11.659 -5.136 -0.330 1.00 0.00 C ATOM 965 NE ARG A 67 11.154 -6.169 -1.231 1.00 0.00 N ATOM 966 CZ ARG A 67 11.894 -6.752 -2.167 1.00 0.00 C ATOM 967 NH1 ARG A 67 13.164 -6.407 -2.324 1.00 0.00 N ATOM 968 NH2 ARG A 67 11.364 -7.685 -2.948 1.00 0.00 N ATOM 0 H ARG A 67 10.196 -1.911 1.597 1.00 0.00 H new ATOM 0 HA ARG A 67 8.142 -2.087 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.282 -4.035 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.517 -2.821 -1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.944 -3.872 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.837 -5.155 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.240 -4.410 -0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.336 -5.587 0.396 1.00 0.00 H new ATOM 0 HE ARG A 67 10.180 -6.458 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.576 -5.692 -1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.729 -6.857 -3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.387 -7.955 -2.830 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.933 -8.132 -3.667 1.00 0.00 H new ATOM 982 N LEU A 68 6.783 -3.934 0.542 1.00 0.00 N ATOM 983 CA LEU A 68 5.851 -4.775 1.286 1.00 0.00 C ATOM 984 C LEU A 68 5.592 -6.084 0.548 1.00 0.00 C ATOM 985 O LEU A 68 4.817 -6.128 -0.408 1.00 0.00 O ATOM 986 CB LEU A 68 4.532 -4.033 1.510 1.00 0.00 C ATOM 987 CG LEU A 68 3.530 -4.712 2.443 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.768 -4.287 3.884 1.00 0.00 C ATOM 989 CD2 LEU A 68 2.104 -4.392 2.020 1.00 0.00 C ATOM 0 H LEU A 68 6.513 -3.759 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 68 6.299 -5.006 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.758 -3.044 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.053 -3.884 0.542 1.00 0.00 H new ATOM 0 HG LEU A 68 3.674 -5.790 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.045 -4.781 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.777 -4.569 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.653 -3.206 3.968 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.405 -4.884 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.947 -3.314 2.057 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.937 -4.748 1.003 1.00 0.00 H new ATOM 1001 N VAL A 69 6.244 -7.151 0.999 1.00 0.00 N ATOM 1002 CA VAL A 69 6.081 -8.463 0.385 1.00 0.00 C ATOM 1003 C VAL A 69 4.821 -9.155 0.891 1.00 0.00 C ATOM 1004 O VAL A 69 4.655 -9.366 2.093 1.00 0.00 O ATOM 1005 CB VAL A 69 7.297 -9.367 0.662 1.00 0.00 C ATOM 1006 CG1 VAL A 69 7.116 -10.724 0.000 1.00 0.00 C ATOM 1007 CG2 VAL A 69 8.578 -8.699 0.186 1.00 0.00 C ATOM 0 H VAL A 69 6.890 -7.132 1.788 1.00 0.00 H new ATOM 0 HA VAL A 69 5.995 -8.301 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 69 7.374 -9.522 1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.985 -11.349 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.221 -11.205 0.395 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.012 -10.592 -1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 69 9.426 -9.352 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.514 -8.511 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.713 -7.754 0.712 1.00 0.00 H new ATOM 1017 N VAL A 70 3.933 -9.507 -0.034 1.00 0.00 N ATOM 1018 CA VAL A 70 2.687 -10.177 0.318 1.00 0.00 C ATOM 1019 C VAL A 70 2.712 -11.641 -0.105 1.00 0.00 C ATOM 1020 O VAL A 70 2.408 -11.971 -1.251 1.00 0.00 O ATOM 1021 CB VAL A 70 1.475 -9.486 -0.334 1.00 0.00 C ATOM 1022 CG1 VAL A 70 0.201 -10.270 -0.057 1.00 0.00 C ATOM 1023 CG2 VAL A 70 1.348 -8.054 0.163 1.00 0.00 C ATOM 0 H VAL A 70 4.054 -9.339 -1.033 1.00 0.00 H new ATOM 0 HA VAL A 70 2.590 -10.117 1.402 1.00 0.00 H new ATOM 0 HB VAL A 70 1.630 -9.460 -1.413 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.645 -9.767 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.297 -11.276 -0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.037 -10.330 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.486 -7.581 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.215 -8.055 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.251 -7.499 -0.091 1.00 0.00 H new ATOM 1033 N GLN A 71 3.075 -12.515 0.828 1.00 0.00 N ATOM 1034 CA GLN A 71 3.140 -13.945 0.551 1.00 0.00 C ATOM 1035 C GLN A 71 1.756 -14.502 0.235 1.00 0.00 C ATOM 1036 O GLN A 71 0.773 -14.152 0.889 1.00 0.00 O ATOM 1037 CB GLN A 71 3.743 -14.691 1.743 1.00 0.00 C ATOM 1038 CG GLN A 71 5.144 -14.226 2.105 1.00 0.00 C ATOM 1039 CD GLN A 71 5.962 -15.310 2.781 1.00 0.00 C ATOM 1040 OE1 GLN A 71 5.424 -16.328 3.217 1.00 0.00 O ATOM 1041 NE2 GLN A 71 7.269 -15.096 2.870 1.00 0.00 N ATOM 0 H GLN A 71 3.329 -12.258 1.782 1.00 0.00 H new ATOM 0 HA GLN A 71 3.778 -14.091 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.092 -14.564 2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.770 -15.757 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.659 -13.898 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.077 -13.362 2.766 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.672 -14.237 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.870 -15.790 3.314 1.00 0.00 H new ATOM 1050 N GLN A 72 1.686 -15.369 -0.770 1.00 0.00 N ATOM 1051 CA GLN A 72 0.421 -15.972 -1.172 1.00 0.00 C ATOM 1052 C GLN A 72 -0.590 -14.902 -1.570 1.00 0.00 C ATOM 1053 O GLN A 72 -1.702 -14.859 -1.044 1.00 0.00 O ATOM 1054 CB GLN A 72 -0.143 -16.828 -0.037 1.00 0.00 C ATOM 1055 CG GLN A 72 0.599 -18.139 0.164 1.00 0.00 C ATOM 1056 CD GLN A 72 0.378 -18.730 1.542 1.00 0.00 C ATOM 1057 OE1 GLN A 72 -0.706 -18.611 2.115 1.00 0.00 O ATOM 1058 NE2 GLN A 72 1.407 -19.371 2.084 1.00 0.00 N ATOM 0 H GLN A 72 2.490 -15.669 -1.321 1.00 0.00 H new ATOM 0 HA GLN A 72 0.609 -16.607 -2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.109 -16.255 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.192 -17.042 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.274 -18.855 -0.591 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.666 -17.976 0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.287 -19.446 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.317 -19.788 3.010 1.00 0.00 H new ATOM 1067 N ALA A 73 -0.196 -14.040 -2.502 1.00 0.00 N ATOM 1068 CA ALA A 73 -1.069 -12.971 -2.971 1.00 0.00 C ATOM 1069 C ALA A 73 -2.346 -13.534 -3.585 1.00 0.00 C ATOM 1070 O ALA A 73 -2.351 -13.982 -4.731 1.00 0.00 O ATOM 1071 CB ALA A 73 -0.338 -12.097 -3.979 1.00 0.00 C ATOM 0 H ALA A 73 0.722 -14.061 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.348 -12.361 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.002 -11.303 -4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.542 -11.657 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.030 -12.704 -4.830 1.00 0.00 H new ATOM 1077 N GLY A 74 -3.429 -13.510 -2.814 1.00 0.00 N ATOM 1078 CA GLY A 74 -4.697 -14.022 -3.299 1.00 0.00 C ATOM 1079 C GLY A 74 -5.800 -12.983 -3.248 1.00 0.00 C ATOM 1080 O GLY A 74 -5.574 -11.850 -2.825 1.00 0.00 O ATOM 0 H GLY A 74 -3.451 -13.145 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.576 -14.369 -4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.988 -14.886 -2.702 1.00 0.00 H new ATOM 1084 N GLN A 75 -6.996 -13.370 -3.681 1.00 0.00 N ATOM 1085 CA GLN A 75 -8.137 -12.462 -3.684 1.00 0.00 C ATOM 1086 C GLN A 75 -8.179 -11.636 -2.403 1.00 0.00 C ATOM 1087 O GLN A 75 -8.531 -10.457 -2.425 1.00 0.00 O ATOM 1088 CB GLN A 75 -9.440 -13.248 -3.841 1.00 0.00 C ATOM 1089 CG GLN A 75 -9.652 -13.800 -5.242 1.00 0.00 C ATOM 1090 CD GLN A 75 -9.862 -12.709 -6.274 1.00 0.00 C ATOM 1091 OE1 GLN A 75 -10.967 -12.190 -6.429 1.00 0.00 O ATOM 1092 NE2 GLN A 75 -8.798 -12.356 -6.986 1.00 0.00 N ATOM 0 H GLN A 75 -7.200 -14.305 -4.034 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.026 -11.782 -4.529 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.445 -14.074 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.278 -12.601 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.789 -14.402 -5.526 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.516 -14.464 -5.240 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.901 -12.814 -6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -8.878 -11.627 -7.695 1.00 0.00 H new ATOM 1101 N ALA A 76 -7.817 -12.263 -1.288 1.00 0.00 N ATOM 1102 CA ALA A 76 -7.812 -11.584 0.002 1.00 0.00 C ATOM 1103 C ALA A 76 -6.770 -10.472 0.033 1.00 0.00 C ATOM 1104 O ALA A 76 -7.088 -9.320 0.327 1.00 0.00 O ATOM 1105 CB ALA A 76 -7.556 -12.582 1.122 1.00 0.00 C ATOM 0 H ALA A 76 -7.524 -13.239 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.792 -11.131 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.555 -12.062 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.340 -13.339 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.589 -13.061 0.968 1.00 0.00 H new ATOM 1111 N GLU A 77 -5.525 -10.824 -0.271 1.00 0.00 N ATOM 1112 CA GLU A 77 -4.437 -9.854 -0.276 1.00 0.00 C ATOM 1113 C GLU A 77 -4.653 -8.799 -1.356 1.00 0.00 C ATOM 1114 O GLU A 77 -4.147 -7.681 -1.258 1.00 0.00 O ATOM 1115 CB GLU A 77 -3.097 -10.559 -0.497 1.00 0.00 C ATOM 1116 CG GLU A 77 -2.657 -11.414 0.679 1.00 0.00 C ATOM 1117 CD GLU A 77 -3.690 -12.456 1.062 1.00 0.00 C ATOM 1118 OE1 GLU A 77 -4.064 -13.267 0.189 1.00 0.00 O ATOM 1119 OE2 GLU A 77 -4.125 -12.460 2.233 1.00 0.00 O ATOM 0 H GLU A 77 -5.245 -11.773 -0.517 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.423 -9.358 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.169 -11.187 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.331 -9.810 -0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.719 -11.911 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.460 -10.771 1.537 1.00 0.00 H new ATOM 1126 N ALA A 78 -5.408 -9.162 -2.388 1.00 0.00 N ATOM 1127 CA ALA A 78 -5.693 -8.248 -3.486 1.00 0.00 C ATOM 1128 C ALA A 78 -6.561 -7.084 -3.020 1.00 0.00 C ATOM 1129 O ALA A 78 -7.669 -7.283 -2.522 1.00 0.00 O ATOM 1130 CB ALA A 78 -6.371 -8.989 -4.628 1.00 0.00 C ATOM 0 H ALA A 78 -5.833 -10.084 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.746 -7.842 -3.842 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.578 -8.293 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.715 -9.782 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.306 -9.423 -4.275 1.00 0.00 H new ATOM 1136 N GLY A 79 -6.050 -5.867 -3.184 1.00 0.00 N ATOM 1137 CA GLY A 79 -6.792 -4.689 -2.773 1.00 0.00 C ATOM 1138 C GLY A 79 -6.033 -3.404 -3.039 1.00 0.00 C ATOM 1139 O GLY A 79 -5.315 -3.295 -4.032 1.00 0.00 O ATOM 0 H GLY A 79 -5.136 -5.676 -3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.745 -4.661 -3.302 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.020 -4.759 -1.709 1.00 0.00 H new ATOM 1143 N GLU A 80 -6.193 -2.429 -2.150 1.00 0.00 N ATOM 1144 CA GLU A 80 -5.518 -1.145 -2.295 1.00 0.00 C ATOM 1145 C GLU A 80 -4.647 -0.847 -1.078 1.00 0.00 C ATOM 1146 O GLU A 80 -5.154 -0.592 0.014 1.00 0.00 O ATOM 1147 CB GLU A 80 -6.542 -0.025 -2.490 1.00 0.00 C ATOM 1148 CG GLU A 80 -6.909 0.219 -3.944 1.00 0.00 C ATOM 1149 CD GLU A 80 -7.735 1.477 -4.134 1.00 0.00 C ATOM 1150 OE1 GLU A 80 -8.692 1.682 -3.359 1.00 0.00 O ATOM 1151 OE2 GLU A 80 -7.422 2.256 -5.059 1.00 0.00 O ATOM 0 H GLU A 80 -6.784 -2.504 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.876 -1.198 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.446 -0.270 -1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.145 0.897 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.998 0.294 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.466 -0.638 -4.323 1.00 0.00 H new ATOM 1158 N TYR A 81 -3.334 -0.881 -1.276 1.00 0.00 N ATOM 1159 CA TYR A 81 -2.391 -0.618 -0.195 1.00 0.00 C ATOM 1160 C TYR A 81 -1.905 0.827 -0.236 1.00 0.00 C ATOM 1161 O TYR A 81 -1.419 1.301 -1.263 1.00 0.00 O ATOM 1162 CB TYR A 81 -1.199 -1.572 -0.286 1.00 0.00 C ATOM 1163 CG TYR A 81 -1.564 -3.021 -0.058 1.00 0.00 C ATOM 1164 CD1 TYR A 81 -2.267 -3.740 -1.017 1.00 0.00 C ATOM 1165 CD2 TYR A 81 -1.208 -3.672 1.117 1.00 0.00 C ATOM 1166 CE1 TYR A 81 -2.604 -5.065 -0.812 1.00 0.00 C ATOM 1167 CE2 TYR A 81 -1.539 -4.996 1.330 1.00 0.00 C ATOM 1168 CZ TYR A 81 -2.237 -5.688 0.362 1.00 0.00 C ATOM 1169 OH TYR A 81 -2.570 -7.007 0.571 1.00 0.00 O ATOM 0 H TYR A 81 -2.898 -1.088 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.907 -0.782 0.751 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.739 -1.472 -1.269 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.450 -1.275 0.448 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.555 -3.255 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.663 -3.133 1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.152 -5.609 -1.567 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -1.253 -5.486 2.249 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.780 -7.431 -0.287 1.00 0.00 H new ATOM 1179 N SER A 82 -2.039 1.522 0.889 1.00 0.00 N ATOM 1180 CA SER A 82 -1.617 2.915 0.982 1.00 0.00 C ATOM 1181 C SER A 82 -0.478 3.071 1.985 1.00 0.00 C ATOM 1182 O SER A 82 -0.669 2.903 3.190 1.00 0.00 O ATOM 1183 CB SER A 82 -2.795 3.801 1.390 1.00 0.00 C ATOM 1184 OG SER A 82 -3.837 3.737 0.431 1.00 0.00 O ATOM 0 H SER A 82 -2.436 1.143 1.749 1.00 0.00 H new ATOM 0 HA SER A 82 -1.260 3.227 0.001 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.172 3.485 2.363 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.458 4.832 1.498 1.00 0.00 H new ATOM 0 HG SER A 82 -4.579 4.310 0.715 1.00 0.00 H new ATOM 1190 N CYS A 83 0.707 3.393 1.479 1.00 0.00 N ATOM 1191 CA CYS A 83 1.879 3.571 2.329 1.00 0.00 C ATOM 1192 C CYS A 83 1.872 4.949 2.983 1.00 0.00 C ATOM 1193 O CYS A 83 2.355 5.923 2.406 1.00 0.00 O ATOM 1194 CB CYS A 83 3.160 3.388 1.513 1.00 0.00 C ATOM 1195 SG CYS A 83 4.619 3.001 2.508 1.00 0.00 S ATOM 0 H CYS A 83 0.882 3.536 0.484 1.00 0.00 H new ATOM 0 HA CYS A 83 1.846 2.815 3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.005 2.589 0.788 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.351 4.300 0.947 1.00 0.00 H new ATOM 0 HG CYS A 83 5.608 2.689 1.724 1.00 0.00 H new ATOM 1201 N GLU A 84 1.318 5.023 4.189 1.00 0.00 N ATOM 1202 CA GLU A 84 1.246 6.283 4.920 1.00 0.00 C ATOM 1203 C GLU A 84 2.579 6.601 5.590 1.00 0.00 C ATOM 1204 O GLU A 84 3.365 5.702 5.890 1.00 0.00 O ATOM 1205 CB GLU A 84 0.135 6.225 5.971 1.00 0.00 C ATOM 1206 CG GLU A 84 -0.399 7.591 6.368 1.00 0.00 C ATOM 1207 CD GLU A 84 -1.242 7.545 7.627 1.00 0.00 C ATOM 1208 OE1 GLU A 84 -2.361 6.992 7.573 1.00 0.00 O ATOM 1209 OE2 GLU A 84 -0.783 8.061 8.668 1.00 0.00 O ATOM 0 H GLU A 84 0.913 4.226 4.680 1.00 0.00 H new ATOM 0 HA GLU A 84 1.021 7.075 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.687 5.621 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.513 5.720 6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.437 8.274 6.520 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.996 7.995 5.550 1.00 0.00 H new ATOM 1216 N ALA A 85 2.827 7.886 5.821 1.00 0.00 N ATOM 1217 CA ALA A 85 4.064 8.323 6.457 1.00 0.00 C ATOM 1218 C ALA A 85 3.984 9.790 6.863 1.00 0.00 C ATOM 1219 O ALA A 85 3.847 10.672 6.016 1.00 0.00 O ATOM 1220 CB ALA A 85 5.245 8.095 5.525 1.00 0.00 C ATOM 0 H ALA A 85 2.188 8.643 5.577 1.00 0.00 H new ATOM 0 HA ALA A 85 4.208 7.731 7.361 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.162 8.426 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.322 7.034 5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.098 8.662 4.606 1.00 0.00 H new ATOM 1226 N GLY A 86 4.069 10.045 8.165 1.00 0.00 N ATOM 1227 CA GLY A 86 4.003 11.407 8.661 1.00 0.00 C ATOM 1228 C GLY A 86 2.677 12.073 8.352 1.00 0.00 C ATOM 1229 O GLY A 86 1.762 12.061 9.175 1.00 0.00 O ATOM 0 H GLY A 86 4.182 9.332 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.163 11.406 9.739 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.811 11.991 8.220 1.00 0.00 H new ATOM 1233 N GLY A 87 2.572 12.657 7.162 1.00 0.00 N ATOM 1234 CA GLY A 87 1.345 13.324 6.769 1.00 0.00 C ATOM 1235 C GLY A 87 0.967 13.040 5.329 1.00 0.00 C ATOM 1236 O GLY A 87 -0.004 13.596 4.815 1.00 0.00 O ATOM 0 H GLY A 87 3.315 12.680 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.535 13.004 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.459 14.399 6.906 1.00 0.00 H new ATOM 1240 N GLN A 88 1.736 12.175 4.676 1.00 0.00 N ATOM 1241 CA GLN A 88 1.477 11.822 3.285 1.00 0.00 C ATOM 1242 C GLN A 88 1.312 10.314 3.128 1.00 0.00 C ATOM 1243 O GLN A 88 1.697 9.544 4.008 1.00 0.00 O ATOM 1244 CB GLN A 88 2.614 12.319 2.390 1.00 0.00 C ATOM 1245 CG GLN A 88 2.649 13.830 2.233 1.00 0.00 C ATOM 1246 CD GLN A 88 3.437 14.273 1.016 1.00 0.00 C ATOM 1247 OE1 GLN A 88 3.484 13.572 0.005 1.00 0.00 O ATOM 1248 NE2 GLN A 88 4.061 15.441 1.107 1.00 0.00 N ATOM 0 H GLN A 88 2.543 11.706 5.087 1.00 0.00 H new ATOM 0 HA GLN A 88 0.548 12.304 2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.565 11.983 2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.516 11.862 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.629 14.207 2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.088 14.274 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 88 3.995 15.989 1.965 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.607 15.790 0.319 1.00 0.00 H new ATOM 1257 N GLN A 89 0.738 9.900 2.003 1.00 0.00 N ATOM 1258 CA GLN A 89 0.522 8.483 1.733 1.00 0.00 C ATOM 1259 C GLN A 89 0.285 8.243 0.246 1.00 0.00 C ATOM 1260 O GLN A 89 -0.430 9.002 -0.410 1.00 0.00 O ATOM 1261 CB GLN A 89 -0.668 7.964 2.542 1.00 0.00 C ATOM 1262 CG GLN A 89 -1.999 8.562 2.118 1.00 0.00 C ATOM 1263 CD GLN A 89 -3.052 8.471 3.204 1.00 0.00 C ATOM 1264 OE1 GLN A 89 -2.815 7.898 4.268 1.00 0.00 O ATOM 1265 NE2 GLN A 89 -4.224 9.038 2.942 1.00 0.00 N ATOM 0 H GLN A 89 0.414 10.525 1.264 1.00 0.00 H new ATOM 0 HA GLN A 89 1.419 7.941 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.718 6.880 2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -0.501 8.181 3.597 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.853 9.607 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.357 8.047 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.377 9.502 2.047 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.971 9.009 3.636 1.00 0.00 H new ATOM 1274 N LEU A 90 0.889 7.184 -0.281 1.00 0.00 N ATOM 1275 CA LEU A 90 0.744 6.844 -1.692 1.00 0.00 C ATOM 1276 C LEU A 90 -0.274 5.724 -1.880 1.00 0.00 C ATOM 1277 O LEU A 90 -0.776 5.158 -0.909 1.00 0.00 O ATOM 1278 CB LEU A 90 2.094 6.425 -2.278 1.00 0.00 C ATOM 1279 CG LEU A 90 3.247 7.410 -2.079 1.00 0.00 C ATOM 1280 CD1 LEU A 90 4.584 6.713 -2.277 1.00 0.00 C ATOM 1281 CD2 LEU A 90 3.111 8.589 -3.031 1.00 0.00 C ATOM 0 H LEU A 90 1.484 6.546 0.247 1.00 0.00 H new ATOM 0 HA LEU A 90 0.385 7.729 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.378 5.470 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.967 6.257 -3.347 1.00 0.00 H new ATOM 0 HG LEU A 90 3.206 7.788 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.393 7.429 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.682 5.903 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.636 6.307 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.940 9.280 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.126 8.230 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.169 9.104 -2.841 1.00 0.00 H new ATOM 1293 N SER A 91 -0.573 5.407 -3.136 1.00 0.00 N ATOM 1294 CA SER A 91 -1.532 4.356 -3.452 1.00 0.00 C ATOM 1295 C SER A 91 -0.862 3.221 -4.221 1.00 0.00 C ATOM 1296 O SER A 91 -0.002 3.455 -5.071 1.00 0.00 O ATOM 1297 CB SER A 91 -2.694 4.924 -4.269 1.00 0.00 C ATOM 1298 OG SER A 91 -2.914 6.290 -3.961 1.00 0.00 O ATOM 0 H SER A 91 -0.164 5.864 -3.951 1.00 0.00 H new ATOM 0 HA SER A 91 -1.918 3.958 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.481 4.817 -5.333 1.00 0.00 H new ATOM 0 HB3 SER A 91 -3.599 4.352 -4.066 1.00 0.00 H new ATOM 0 HG SER A 91 -2.353 6.850 -4.537 1.00 0.00 H new ATOM 1304 N PHE A 92 -1.262 1.991 -3.916 1.00 0.00 N ATOM 1305 CA PHE A 92 -0.700 0.819 -4.577 1.00 0.00 C ATOM 1306 C PHE A 92 -1.755 -0.272 -4.740 1.00 0.00 C ATOM 1307 O PHE A 92 -2.180 -0.890 -3.764 1.00 0.00 O ATOM 1308 CB PHE A 92 0.489 0.279 -3.779 1.00 0.00 C ATOM 1309 CG PHE A 92 1.735 1.106 -3.926 1.00 0.00 C ATOM 1310 CD1 PHE A 92 1.927 2.235 -3.147 1.00 0.00 C ATOM 1311 CD2 PHE A 92 2.713 0.753 -4.841 1.00 0.00 C ATOM 1312 CE1 PHE A 92 3.072 2.998 -3.281 1.00 0.00 C ATOM 1313 CE2 PHE A 92 3.860 1.512 -4.979 1.00 0.00 C ATOM 1314 CZ PHE A 92 4.040 2.636 -4.197 1.00 0.00 C ATOM 0 H PHE A 92 -1.973 1.780 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.358 1.120 -5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.217 0.231 -2.725 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.699 -0.741 -4.101 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.175 2.522 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.578 -0.126 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.210 3.877 -2.669 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.614 1.226 -5.697 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.936 3.230 -4.302 1.00 0.00 H new ATOM 1324 N ARG A 93 -2.173 -0.501 -5.980 1.00 0.00 N ATOM 1325 CA ARG A 93 -3.179 -1.515 -6.272 1.00 0.00 C ATOM 1326 C ARG A 93 -2.526 -2.870 -6.532 1.00 0.00 C ATOM 1327 O ARG A 93 -1.602 -2.981 -7.339 1.00 0.00 O ATOM 1328 CB ARG A 93 -4.017 -1.099 -7.483 1.00 0.00 C ATOM 1329 CG ARG A 93 -5.020 -2.154 -7.920 1.00 0.00 C ATOM 1330 CD ARG A 93 -6.324 -2.036 -7.146 1.00 0.00 C ATOM 1331 NE ARG A 93 -7.103 -0.872 -7.560 1.00 0.00 N ATOM 1332 CZ ARG A 93 -8.340 -0.630 -7.142 1.00 0.00 C ATOM 1333 NH1 ARG A 93 -8.936 -1.466 -6.303 1.00 0.00 N ATOM 1334 NH2 ARG A 93 -8.984 0.451 -7.563 1.00 0.00 N ATOM 0 H ARG A 93 -1.831 0.002 -6.799 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.830 -1.606 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -4.550 -0.178 -7.246 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -3.351 -0.876 -8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.218 -2.050 -8.987 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.595 -3.146 -7.770 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -6.916 -2.939 -7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.108 -1.967 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.674 -0.209 -8.205 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -8.444 -2.298 -5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.886 -1.277 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.529 1.097 -8.208 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.934 0.636 -7.241 1.00 0.00 H new ATOM 1348 N LEU A 94 -3.013 -3.897 -5.844 1.00 0.00 N ATOM 1349 CA LEU A 94 -2.477 -5.244 -6.000 1.00 0.00 C ATOM 1350 C LEU A 94 -3.514 -6.174 -6.620 1.00 0.00 C ATOM 1351 O LEU A 94 -4.557 -6.443 -6.024 1.00 0.00 O ATOM 1352 CB LEU A 94 -2.027 -5.795 -4.645 1.00 0.00 C ATOM 1353 CG LEU A 94 -1.620 -7.269 -4.622 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -0.496 -7.528 -5.613 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -1.203 -7.685 -3.219 1.00 0.00 C ATOM 0 H LEU A 94 -3.778 -3.822 -5.173 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.617 -5.191 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.183 -5.200 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.837 -5.651 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.481 -7.869 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.220 -8.582 -5.583 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.830 -7.269 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.369 -6.919 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.917 -8.737 -3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.356 -7.079 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.037 -7.538 -2.533 1.00 0.00 H new ATOM 1367 N GLN A 95 -3.220 -6.664 -7.820 1.00 0.00 N ATOM 1368 CA GLN A 95 -4.127 -7.566 -8.521 1.00 0.00 C ATOM 1369 C GLN A 95 -3.609 -8.999 -8.480 1.00 0.00 C ATOM 1370 O GLN A 95 -2.406 -9.239 -8.582 1.00 0.00 O ATOM 1371 CB GLN A 95 -4.306 -7.117 -9.972 1.00 0.00 C ATOM 1372 CG GLN A 95 -5.122 -5.842 -10.119 1.00 0.00 C ATOM 1373 CD GLN A 95 -4.941 -5.187 -11.474 1.00 0.00 C ATOM 1374 OE1 GLN A 95 -4.350 -5.768 -12.384 1.00 0.00 O ATOM 1375 NE2 GLN A 95 -5.451 -3.969 -11.615 1.00 0.00 N ATOM 0 H GLN A 95 -2.361 -6.452 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 95 -5.093 -7.534 -8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -3.324 -6.964 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -4.791 -7.916 -10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -6.177 -6.071 -9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.834 -5.138 -9.338 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -5.933 -3.525 -10.834 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -5.360 -3.478 -12.504 1.00 0.00 H new ATOM 1384 N VAL A 96 -4.525 -9.951 -8.328 1.00 0.00 N ATOM 1385 CA VAL A 96 -4.161 -11.361 -8.274 1.00 0.00 C ATOM 1386 C VAL A 96 -4.616 -12.095 -9.531 1.00 0.00 C ATOM 1387 O VAL A 96 -5.744 -11.919 -9.990 1.00 0.00 O ATOM 1388 CB VAL A 96 -4.772 -12.052 -7.040 1.00 0.00 C ATOM 1389 CG1 VAL A 96 -4.514 -13.550 -7.084 1.00 0.00 C ATOM 1390 CG2 VAL A 96 -4.217 -11.444 -5.761 1.00 0.00 C ATOM 0 H VAL A 96 -5.525 -9.770 -8.240 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.074 -11.404 -8.205 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.850 -11.894 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.953 -14.021 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.964 -13.970 -7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.440 -13.734 -7.096 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.659 -11.944 -4.899 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.135 -11.570 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.459 -10.382 -5.728 1.00 0.00 H new ATOM 1400 N ALA A 97 -3.730 -12.918 -10.082 1.00 0.00 N ATOM 1401 CA ALA A 97 -4.041 -13.681 -11.285 1.00 0.00 C ATOM 1402 C ALA A 97 -4.050 -15.178 -10.998 1.00 0.00 C ATOM 1403 O ALA A 97 -3.003 -15.781 -10.763 1.00 0.00 O ATOM 1404 CB ALA A 97 -3.044 -13.358 -12.387 1.00 0.00 C ATOM 0 H ALA A 97 -2.791 -13.074 -9.715 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.039 -13.396 -11.619 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.288 -13.935 -13.279 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.090 -12.294 -12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.038 -13.614 -12.054 1.00 0.00 H new