USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 71 LYS NZ :NH3+ -144:sc= 0.328 (180deg=0) USER MOD Set 1.2: A 79 ASN : amide:sc= 0.234 K(o=0.56,f=-6.3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.335 X(o=-0.33,f=-0.57) USER MOD Single : A 19 THR OG1 : rot -66:sc= 1.09 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= -0.422 USER MOD Single : A 34 MET CE :methyl 141:sc= -0.157 (180deg=-0.764) USER MOD Single : A 35 CYS SG : rot 88:sc= -0.0272 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 84:sc= 0.346 USER MOD Single : A 38 TYR OH : rot 162:sc= 0.569 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot -5:sc= -0.237 USER MOD Single : A 69 LYS NZ :NH3+ -177:sc= 1.09 (180deg=1.09) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.133 K(o=-0.13,f=-6.6!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -173:sc= -0.0107 (180deg=-0.0783) USER MOD Single : A 83 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.56) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 1.12 K(o=1.1,f=0.47) USER MOD Single : A 89 GLN : amide:sc= 0.97 K(o=0.97,f=-1.1) USER MOD Single : A 91 ASN : amide:sc= -0.167 K(o=-0.17,f=-2!) USER MOD Single : A 98 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.11) USER MOD Single : A 99 SER OG : rot 180:sc= 0.02 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 106 THR OG1 : rot -77:sc= 0.89 USER MOD ----------------------------------------------------------------- ATOM 115 N ILE A 10 -6.991 3.707 9.270 1.00 4.32 N ATOM 116 CA ILE A 10 -5.728 3.319 8.674 1.00 54.42 C ATOM 117 C ILE A 10 -5.105 4.546 8.002 1.00 74.35 C ATOM 118 O ILE A 10 -5.783 5.298 7.296 1.00 20.44 O ATOM 119 CB ILE A 10 -5.994 2.118 7.727 1.00 54.21 C ATOM 120 CG1 ILE A 10 -6.371 0.881 8.582 1.00 75.22 C ATOM 121 CG2 ILE A 10 -4.772 1.784 6.856 1.00 75.22 C ATOM 122 CD1 ILE A 10 -6.993 -0.291 7.817 1.00 55.43 C ATOM 0 HA ILE A 10 -4.997 2.979 9.407 1.00 54.42 H new ATOM 0 HB ILE A 10 -6.809 2.390 7.056 1.00 54.21 H new ATOM 0 HG12 ILE A 10 -5.474 0.525 9.088 1.00 75.22 H new ATOM 0 HG13 ILE A 10 -7.070 1.197 9.357 1.00 75.22 H new ATOM 0 HG21 ILE A 10 -5.006 0.938 6.210 1.00 75.22 H new ATOM 0 HG22 ILE A 10 -4.515 2.648 6.243 1.00 75.22 H new ATOM 0 HG23 ILE A 10 -3.927 1.529 7.496 1.00 75.22 H new ATOM 0 HD11 ILE A 10 -7.217 -1.101 8.511 1.00 55.43 H new ATOM 0 HD12 ILE A 10 -7.913 0.037 7.333 1.00 55.43 H new ATOM 0 HD13 ILE A 10 -6.292 -0.645 7.061 1.00 55.43 H new ATOM 134 N LYS A 11 -3.805 4.757 8.231 1.00 1.41 N ATOM 135 CA LYS A 11 -3.020 5.824 7.605 1.00 3.04 C ATOM 136 C LYS A 11 -1.682 5.351 7.050 1.00 25.33 C ATOM 137 O LYS A 11 -0.863 6.149 6.608 1.00 12.32 O ATOM 138 CB LYS A 11 -2.868 7.040 8.533 1.00 30.15 C ATOM 139 CG LYS A 11 -1.764 6.936 9.597 1.00 51.53 C ATOM 140 CD LYS A 11 -1.993 5.953 10.747 1.00 22.21 C ATOM 141 CE LYS A 11 -2.692 6.651 11.908 1.00 1.33 C ATOM 142 NZ LYS A 11 -2.416 5.953 13.176 1.00 31.22 N ATOM 0 H LYS A 11 -3.259 4.179 8.870 1.00 1.41 H new ATOM 0 HA LYS A 11 -3.595 6.146 6.737 1.00 3.04 H new ATOM 0 HB2 LYS A 11 -2.673 7.919 7.919 1.00 30.15 H new ATOM 0 HB3 LYS A 11 -3.819 7.208 9.039 1.00 30.15 H new ATOM 0 HG2 LYS A 11 -0.836 6.660 9.096 1.00 51.53 H new ATOM 0 HG3 LYS A 11 -1.612 7.927 10.025 1.00 51.53 H new ATOM 0 HD2 LYS A 11 -2.596 5.113 10.402 1.00 22.21 H new ATOM 0 HD3 LYS A 11 -1.039 5.544 11.081 1.00 22.21 H new ATOM 0 HE2 LYS A 11 -2.353 7.685 11.975 1.00 1.33 H new ATOM 0 HE3 LYS A 11 -3.767 6.679 11.729 1.00 1.33 H new ATOM 0 HZ1 LYS A 11 -2.901 6.443 13.955 1.00 31.22 H new ATOM 0 HZ2 LYS A 11 -2.761 4.974 13.115 1.00 31.22 H new ATOM 0 HZ3 LYS A 11 -1.391 5.949 13.354 1.00 31.22 H new ATOM 156 N GLU A 12 -1.468 4.050 7.031 1.00 14.21 N ATOM 157 CA GLU A 12 -0.333 3.434 6.377 1.00 14.11 C ATOM 158 C GLU A 12 -0.796 2.049 5.949 1.00 71.31 C ATOM 159 O GLU A 12 -1.620 1.432 6.627 1.00 12.31 O ATOM 160 CB GLU A 12 0.864 3.400 7.354 1.00 64.42 C ATOM 161 CG GLU A 12 2.011 2.475 6.916 1.00 72.44 C ATOM 162 CD GLU A 12 3.204 2.503 7.873 1.00 20.13 C ATOM 163 OE1 GLU A 12 3.093 2.065 9.042 1.00 43.31 O ATOM 164 OE2 GLU A 12 4.322 2.839 7.422 1.00 65.45 O ATOM 0 H GLU A 12 -2.092 3.379 7.479 1.00 14.21 H new ATOM 0 HA GLU A 12 0.009 3.986 5.502 1.00 14.11 H new ATOM 0 HB2 GLU A 12 1.253 4.412 7.470 1.00 64.42 H new ATOM 0 HB3 GLU A 12 0.509 3.081 8.334 1.00 64.42 H new ATOM 0 HG2 GLU A 12 1.637 1.454 6.841 1.00 72.44 H new ATOM 0 HG3 GLU A 12 2.345 2.767 5.920 1.00 72.44 H new ATOM 171 N ILE A 13 -0.277 1.570 4.825 1.00 10.35 N ATOM 172 CA ILE A 13 -0.566 0.253 4.278 1.00 34.02 C ATOM 173 C ILE A 13 0.741 -0.442 3.905 1.00 12.24 C ATOM 174 O ILE A 13 1.787 0.212 3.792 1.00 14.42 O ATOM 175 CB ILE A 13 -1.504 0.393 3.068 1.00 31.24 C ATOM 176 CG1 ILE A 13 -0.910 1.346 2.005 1.00 1.13 C ATOM 177 CG2 ILE A 13 -2.902 0.870 3.499 1.00 4.22 C ATOM 178 CD1 ILE A 13 -1.184 0.821 0.606 1.00 35.11 C ATOM 0 H ILE A 13 0.376 2.105 4.253 1.00 10.35 H new ATOM 0 HA ILE A 13 -1.071 -0.362 5.023 1.00 34.02 H new ATOM 0 HB ILE A 13 -1.605 -0.595 2.619 1.00 31.24 H new ATOM 0 HG12 ILE A 13 -1.342 2.340 2.118 1.00 1.13 H new ATOM 0 HG13 ILE A 13 0.165 1.446 2.158 1.00 1.13 H new ATOM 0 HG21 ILE A 13 -3.542 0.959 2.622 1.00 4.22 H new ATOM 0 HG22 ILE A 13 -3.335 0.149 4.192 1.00 4.22 H new ATOM 0 HG23 ILE A 13 -2.820 1.840 3.989 1.00 4.22 H new ATOM 0 HD11 ILE A 13 -0.759 1.505 -0.129 1.00 35.11 H new ATOM 0 HD12 ILE A 13 -0.730 -0.163 0.491 1.00 35.11 H new ATOM 0 HD13 ILE A 13 -2.260 0.745 0.450 1.00 35.11 H new ATOM 190 N ILE A 14 0.702 -1.755 3.684 1.00 63.02 N ATOM 191 CA ILE A 14 1.882 -2.582 3.484 1.00 63.32 C ATOM 192 C ILE A 14 1.570 -3.563 2.358 1.00 64.14 C ATOM 193 O ILE A 14 0.968 -4.608 2.587 1.00 43.24 O ATOM 194 CB ILE A 14 2.301 -3.254 4.820 1.00 72.44 C ATOM 195 CG1 ILE A 14 2.681 -2.173 5.860 1.00 43.11 C ATOM 196 CG2 ILE A 14 3.451 -4.261 4.596 1.00 62.10 C ATOM 197 CD1 ILE A 14 3.070 -2.716 7.231 1.00 33.41 C ATOM 0 H ILE A 14 -0.171 -2.281 3.639 1.00 63.02 H new ATOM 0 HA ILE A 14 2.748 -1.993 3.182 1.00 63.32 H new ATOM 0 HB ILE A 14 1.454 -3.818 5.212 1.00 72.44 H new ATOM 0 HG12 ILE A 14 3.512 -1.587 5.467 1.00 43.11 H new ATOM 0 HG13 ILE A 14 1.839 -1.492 5.980 1.00 43.11 H new ATOM 0 HG21 ILE A 14 3.725 -4.717 5.547 1.00 62.10 H new ATOM 0 HG22 ILE A 14 3.126 -5.036 3.902 1.00 62.10 H new ATOM 0 HG23 ILE A 14 4.314 -3.741 4.181 1.00 62.10 H new ATOM 0 HD11 ILE A 14 3.320 -1.887 7.893 1.00 33.41 H new ATOM 0 HD12 ILE A 14 2.235 -3.277 7.651 1.00 33.41 H new ATOM 0 HD13 ILE A 14 3.934 -3.373 7.130 1.00 33.41 H new ATOM 209 N ILE A 15 2.005 -3.260 1.136 1.00 64.14 N ATOM 210 CA ILE A 15 2.013 -4.240 0.059 1.00 11.30 C ATOM 211 C ILE A 15 3.013 -5.317 0.478 1.00 32.32 C ATOM 212 O ILE A 15 4.228 -5.077 0.551 1.00 34.41 O ATOM 213 CB ILE A 15 2.365 -3.620 -1.311 1.00 40.25 C ATOM 214 CG1 ILE A 15 1.599 -2.324 -1.672 1.00 33.15 C ATOM 215 CG2 ILE A 15 2.154 -4.667 -2.422 1.00 10.14 C ATOM 216 CD1 ILE A 15 0.082 -2.305 -1.487 1.00 25.52 C ATOM 0 H ILE A 15 2.357 -2.340 0.870 1.00 64.14 H new ATOM 0 HA ILE A 15 1.017 -4.660 -0.085 1.00 11.30 H new ATOM 0 HB ILE A 15 3.411 -3.324 -1.229 1.00 40.25 H new ATOM 0 HG12 ILE A 15 2.017 -1.513 -1.075 1.00 33.15 H new ATOM 0 HG13 ILE A 15 1.810 -2.093 -2.716 1.00 33.15 H new ATOM 0 HG21 ILE A 15 2.403 -4.228 -3.388 1.00 10.14 H new ATOM 0 HG22 ILE A 15 2.797 -5.527 -2.238 1.00 10.14 H new ATOM 0 HG23 ILE A 15 1.112 -4.988 -2.427 1.00 10.14 H new ATOM 0 HD11 ILE A 15 -0.308 -1.331 -1.782 1.00 25.52 H new ATOM 0 HD12 ILE A 15 -0.370 -3.080 -2.107 1.00 25.52 H new ATOM 0 HD13 ILE A 15 -0.159 -2.491 -0.440 1.00 25.52 H new ATOM 228 N GLN A 16 2.512 -6.496 0.835 1.00 52.13 N ATOM 229 CA GLN A 16 3.358 -7.625 1.142 1.00 2.22 C ATOM 230 C GLN A 16 4.038 -8.107 -0.141 1.00 12.33 C ATOM 231 O GLN A 16 3.458 -8.065 -1.218 1.00 40.02 O ATOM 232 CB GLN A 16 2.522 -8.731 1.811 1.00 4.24 C ATOM 233 CG GLN A 16 3.398 -9.470 2.822 1.00 22.12 C ATOM 234 CD GLN A 16 2.643 -10.438 3.726 1.00 74.12 C ATOM 235 OE1 GLN A 16 1.640 -11.035 3.346 1.00 64.24 O ATOM 236 NE2 GLN A 16 3.131 -10.616 4.944 1.00 72.11 N ATOM 0 H GLN A 16 1.513 -6.686 0.917 1.00 52.13 H new ATOM 0 HA GLN A 16 4.139 -7.338 1.846 1.00 2.22 H new ATOM 0 HB2 GLN A 16 1.654 -8.299 2.309 1.00 4.24 H new ATOM 0 HB3 GLN A 16 2.145 -9.425 1.060 1.00 4.24 H new ATOM 0 HG2 GLN A 16 4.167 -10.022 2.282 1.00 22.12 H new ATOM 0 HG3 GLN A 16 3.910 -8.736 3.444 1.00 22.12 H new ATOM 0 HE21 GLN A 16 3.966 -10.109 5.238 1.00 72.11 H new ATOM 0 HE22 GLN A 16 2.672 -11.260 5.588 1.00 72.11 H new ATOM 245 N GLY A 17 5.259 -8.635 -0.031 1.00 52.01 N ATOM 246 CA GLY A 17 5.946 -9.272 -1.156 1.00 51.25 C ATOM 247 C GLY A 17 5.570 -10.746 -1.299 1.00 63.32 C ATOM 248 O GLY A 17 6.334 -11.511 -1.887 1.00 75.35 O ATOM 0 H GLY A 17 5.797 -8.633 0.836 1.00 52.01 H new ATOM 0 HA2 GLY A 17 5.699 -8.744 -2.077 1.00 51.25 H new ATOM 0 HA3 GLY A 17 7.024 -9.185 -1.018 1.00 51.25 H new ATOM 252 N LEU A 18 4.456 -11.167 -0.698 1.00 10.11 N ATOM 253 CA LEU A 18 3.906 -12.502 -0.751 1.00 72.22 C ATOM 254 C LEU A 18 2.743 -12.469 -1.729 1.00 61.32 C ATOM 255 O LEU A 18 1.898 -11.577 -1.663 1.00 11.24 O ATOM 256 CB LEU A 18 3.422 -12.883 0.654 1.00 52.23 C ATOM 257 CG LEU A 18 3.988 -14.221 1.137 1.00 51.34 C ATOM 258 CD1 LEU A 18 5.506 -14.211 1.364 1.00 23.40 C ATOM 259 CD2 LEU A 18 3.303 -14.508 2.466 1.00 3.52 C ATOM 0 H LEU A 18 3.887 -10.539 -0.130 1.00 10.11 H new ATOM 0 HA LEU A 18 4.643 -13.236 -1.076 1.00 72.22 H new ATOM 0 HB2 LEU A 18 3.707 -12.099 1.356 1.00 52.23 H new ATOM 0 HB3 LEU A 18 2.333 -12.933 0.657 1.00 52.23 H new ATOM 0 HG LEU A 18 3.804 -14.973 0.370 1.00 51.34 H new ATOM 0 HD11 LEU A 18 5.829 -15.194 1.705 1.00 23.40 H new ATOM 0 HD12 LEU A 18 6.012 -13.966 0.430 1.00 23.40 H new ATOM 0 HD13 LEU A 18 5.756 -13.465 2.118 1.00 23.40 H new ATOM 0 HD21 LEU A 18 3.666 -15.455 2.865 1.00 3.52 H new ATOM 0 HD22 LEU A 18 3.527 -13.707 3.171 1.00 3.52 H new ATOM 0 HD23 LEU A 18 2.225 -14.567 2.314 1.00 3.52 H new ATOM 271 N THR A 19 2.719 -13.440 -2.631 1.00 4.12 N ATOM 272 CA THR A 19 1.574 -13.734 -3.474 1.00 44.44 C ATOM 273 C THR A 19 0.451 -14.309 -2.606 1.00 71.53 C ATOM 274 O THR A 19 0.716 -14.847 -1.528 1.00 72.34 O ATOM 275 CB THR A 19 1.988 -14.733 -4.574 1.00 4.12 C ATOM 276 OG1 THR A 19 2.493 -15.947 -4.031 1.00 13.43 O ATOM 277 CG2 THR A 19 3.092 -14.179 -5.479 1.00 14.31 C ATOM 0 H THR A 19 3.513 -14.057 -2.799 1.00 4.12 H new ATOM 0 HA THR A 19 1.215 -12.824 -3.955 1.00 44.44 H new ATOM 0 HB THR A 19 1.075 -14.909 -5.143 1.00 4.12 H new ATOM 0 HG1 THR A 19 3.333 -15.770 -3.559 1.00 13.43 H new ATOM 0 HG21 THR A 19 3.348 -14.920 -6.236 1.00 14.31 H new ATOM 0 HG22 THR A 19 2.741 -13.269 -5.966 1.00 14.31 H new ATOM 0 HG23 THR A 19 3.974 -13.953 -4.880 1.00 14.31 H new ATOM 285 N ARG A 20 -0.782 -14.305 -3.119 1.00 42.32 N ATOM 286 CA ARG A 20 -1.965 -14.837 -2.440 1.00 23.43 C ATOM 287 C ARG A 20 -1.814 -16.265 -1.917 1.00 44.24 C ATOM 288 O ARG A 20 -2.394 -16.601 -0.888 1.00 42.54 O ATOM 289 CB ARG A 20 -3.197 -14.714 -3.344 1.00 72.30 C ATOM 290 CG ARG A 20 -3.113 -15.485 -4.672 1.00 54.21 C ATOM 291 CD ARG A 20 -4.192 -14.962 -5.620 1.00 11.01 C ATOM 292 NE ARG A 20 -5.547 -15.217 -5.118 1.00 14.52 N ATOM 293 CZ ARG A 20 -6.324 -16.271 -5.362 1.00 74.42 C ATOM 294 NH1 ARG A 20 -5.959 -17.223 -6.219 1.00 63.43 N ATOM 295 NH2 ARG A 20 -7.492 -16.346 -4.744 1.00 3.24 N ATOM 0 H ARG A 20 -0.990 -13.922 -4.041 1.00 42.32 H new ATOM 0 HA ARG A 20 -2.094 -14.222 -1.549 1.00 23.43 H new ATOM 0 HB2 ARG A 20 -4.069 -15.065 -2.793 1.00 72.30 H new ATOM 0 HB3 ARG A 20 -3.363 -13.659 -3.564 1.00 72.30 H new ATOM 0 HG2 ARG A 20 -2.127 -15.360 -5.118 1.00 54.21 H new ATOM 0 HG3 ARG A 20 -3.250 -16.552 -4.497 1.00 54.21 H new ATOM 0 HD2 ARG A 20 -4.057 -13.890 -5.765 1.00 11.01 H new ATOM 0 HD3 ARG A 20 -4.074 -15.433 -6.596 1.00 11.01 H new ATOM 0 HE ARG A 20 -5.942 -14.501 -4.509 1.00 14.52 H new ATOM 0 HH11 ARG A 20 -5.066 -17.155 -6.707 1.00 63.43 H new ATOM 0 HH12 ARG A 20 -6.573 -18.020 -6.388 1.00 63.43 H new ATOM 0 HH21 ARG A 20 -7.777 -15.608 -4.100 1.00 3.24 H new ATOM 0 HH22 ARG A 20 -8.108 -17.142 -4.912 1.00 3.24 H new ATOM 309 N ALA A 21 -1.019 -17.096 -2.597 1.00 53.14 N ATOM 310 CA ALA A 21 -0.779 -18.489 -2.229 1.00 41.15 C ATOM 311 C ALA A 21 0.207 -18.624 -1.057 1.00 40.41 C ATOM 312 O ALA A 21 0.574 -19.741 -0.695 1.00 61.10 O ATOM 313 CB ALA A 21 -0.258 -19.238 -3.464 1.00 21.31 C ATOM 0 H ALA A 21 -0.515 -16.810 -3.436 1.00 53.14 H new ATOM 0 HA ALA A 21 -1.719 -18.924 -1.890 1.00 41.15 H new ATOM 0 HB1 ALA A 21 -0.073 -20.281 -3.206 1.00 21.31 H new ATOM 0 HB2 ALA A 21 -1.000 -19.187 -4.260 1.00 21.31 H new ATOM 0 HB3 ALA A 21 0.670 -18.779 -3.803 1.00 21.31 H new ATOM 319 N GLY A 22 0.699 -17.507 -0.516 1.00 3.50 N ATOM 320 CA GLY A 22 1.636 -17.444 0.592 1.00 3.13 C ATOM 321 C GLY A 22 3.097 -17.531 0.167 1.00 62.44 C ATOM 322 O GLY A 22 3.976 -17.636 1.021 1.00 21.44 O ATOM 0 H GLY A 22 0.439 -16.583 -0.859 1.00 3.50 H new ATOM 0 HA2 GLY A 22 1.480 -16.512 1.135 1.00 3.13 H new ATOM 0 HA3 GLY A 22 1.420 -18.257 1.285 1.00 3.13 H new ATOM 326 N LYS A 23 3.380 -17.492 -1.142 1.00 1.11 N ATOM 327 CA LYS A 23 4.714 -17.714 -1.690 1.00 0.22 C ATOM 328 C LYS A 23 5.372 -16.371 -1.989 1.00 72.34 C ATOM 329 O LYS A 23 4.673 -15.456 -2.436 1.00 54.34 O ATOM 330 CB LYS A 23 4.632 -18.562 -2.973 1.00 11.25 C ATOM 331 CG LYS A 23 4.558 -20.076 -2.719 1.00 64.31 C ATOM 332 CD LYS A 23 3.271 -20.570 -2.045 1.00 0.22 C ATOM 333 CE LYS A 23 3.358 -22.036 -1.622 1.00 44.01 C ATOM 334 NZ LYS A 23 3.301 -22.990 -2.750 1.00 42.20 N ATOM 0 H LYS A 23 2.676 -17.302 -1.855 1.00 1.11 H new ATOM 0 HA LYS A 23 5.314 -18.254 -0.958 1.00 0.22 H new ATOM 0 HB2 LYS A 23 3.754 -18.256 -3.543 1.00 11.25 H new ATOM 0 HB3 LYS A 23 5.504 -18.350 -3.592 1.00 11.25 H new ATOM 0 HG2 LYS A 23 4.670 -20.593 -3.672 1.00 64.31 H new ATOM 0 HG3 LYS A 23 5.406 -20.365 -2.099 1.00 64.31 H new ATOM 0 HD2 LYS A 23 3.064 -19.954 -1.170 1.00 0.22 H new ATOM 0 HD3 LYS A 23 2.433 -20.442 -2.731 1.00 0.22 H new ATOM 0 HE2 LYS A 23 4.288 -22.191 -1.074 1.00 44.01 H new ATOM 0 HE3 LYS A 23 2.542 -22.254 -0.933 1.00 44.01 H new ATOM 0 HZ1 LYS A 23 3.365 -23.962 -2.386 1.00 42.20 H new ATOM 0 HZ2 LYS A 23 2.403 -22.870 -3.261 1.00 42.20 H new ATOM 0 HZ3 LYS A 23 4.094 -22.810 -3.398 1.00 42.20 H new ATOM 348 N PRO A 24 6.695 -16.241 -1.824 1.00 24.25 N ATOM 349 CA PRO A 24 7.406 -14.997 -2.074 1.00 1.41 C ATOM 350 C PRO A 24 7.429 -14.664 -3.564 1.00 23.41 C ATOM 351 O PRO A 24 7.680 -15.528 -4.410 1.00 51.24 O ATOM 352 CB PRO A 24 8.813 -15.211 -1.526 1.00 41.35 C ATOM 353 CG PRO A 24 9.008 -16.719 -1.573 1.00 23.21 C ATOM 354 CD PRO A 24 7.605 -17.279 -1.369 1.00 62.34 C ATOM 0 HA PRO A 24 6.918 -14.151 -1.590 1.00 1.41 H new ATOM 0 HB2 PRO A 24 9.558 -14.694 -2.131 1.00 41.35 H new ATOM 0 HB3 PRO A 24 8.907 -14.829 -0.509 1.00 41.35 H new ATOM 0 HG2 PRO A 24 9.430 -17.037 -2.526 1.00 23.21 H new ATOM 0 HG3 PRO A 24 9.690 -17.058 -0.793 1.00 23.21 H new ATOM 0 HD2 PRO A 24 7.465 -18.199 -1.937 1.00 62.34 H new ATOM 0 HD3 PRO A 24 7.429 -17.521 -0.321 1.00 62.34 H new ATOM 362 N PHE A 25 7.194 -13.395 -3.877 1.00 50.14 N ATOM 363 CA PHE A 25 7.167 -12.879 -5.233 1.00 61.53 C ATOM 364 C PHE A 25 8.589 -12.551 -5.710 1.00 3.52 C ATOM 365 O PHE A 25 9.528 -12.508 -4.907 1.00 14.22 O ATOM 366 CB PHE A 25 6.244 -11.657 -5.241 1.00 71.23 C ATOM 367 CG PHE A 25 5.997 -11.099 -6.622 1.00 12.01 C ATOM 368 CD1 PHE A 25 5.229 -11.828 -7.549 1.00 44.45 C ATOM 369 CD2 PHE A 25 6.586 -9.881 -6.997 1.00 0.41 C ATOM 370 CE1 PHE A 25 5.098 -11.362 -8.869 1.00 1.03 C ATOM 371 CE2 PHE A 25 6.456 -9.428 -8.317 1.00 4.23 C ATOM 372 CZ PHE A 25 5.730 -10.172 -9.257 1.00 21.33 C ATOM 0 H PHE A 25 7.012 -12.680 -3.172 1.00 50.14 H new ATOM 0 HA PHE A 25 6.780 -13.620 -5.932 1.00 61.53 H new ATOM 0 HB2 PHE A 25 5.289 -11.930 -4.792 1.00 71.23 H new ATOM 0 HB3 PHE A 25 6.680 -10.878 -4.615 1.00 71.23 H new ATOM 0 HD1 PHE A 25 4.741 -12.743 -7.247 1.00 44.45 H new ATOM 0 HD2 PHE A 25 7.135 -9.297 -6.273 1.00 0.41 H new ATOM 0 HE1 PHE A 25 4.511 -11.920 -9.583 1.00 1.03 H new ATOM 0 HE2 PHE A 25 6.919 -8.498 -8.612 1.00 4.23 H new ATOM 0 HZ PHE A 25 5.657 -9.829 -10.279 1.00 21.33 H new ATOM 382 N ARG A 26 8.758 -12.352 -7.021 1.00 15.12 N ATOM 383 CA ARG A 26 9.997 -12.065 -7.710 1.00 44.24 C ATOM 384 C ARG A 26 9.752 -11.101 -8.875 1.00 34.34 C ATOM 385 O ARG A 26 8.673 -11.176 -9.456 1.00 10.12 O ATOM 386 CB ARG A 26 10.628 -13.336 -8.278 1.00 71.20 C ATOM 387 CG ARG A 26 9.648 -14.441 -8.697 1.00 2.00 C ATOM 388 CD ARG A 26 9.295 -15.277 -7.455 1.00 50.44 C ATOM 389 NE ARG A 26 9.624 -16.689 -7.671 1.00 72.50 N ATOM 390 CZ ARG A 26 9.966 -17.563 -6.727 1.00 72.50 C ATOM 391 NH1 ARG A 26 9.620 -17.350 -5.461 1.00 54.23 N ATOM 392 NH2 ARG A 26 10.699 -18.620 -7.066 1.00 40.52 N ATOM 0 H ARG A 26 7.968 -12.393 -7.665 1.00 15.12 H new ATOM 0 HA ARG A 26 10.670 -11.618 -6.979 1.00 44.24 H new ATOM 0 HB2 ARG A 26 11.230 -13.064 -9.145 1.00 71.20 H new ATOM 0 HB3 ARG A 26 11.309 -13.745 -7.532 1.00 71.20 H new ATOM 0 HG2 ARG A 26 8.747 -14.005 -9.128 1.00 2.00 H new ATOM 0 HG3 ARG A 26 10.095 -15.073 -9.464 1.00 2.00 H new ATOM 0 HD2 ARG A 26 9.840 -14.900 -6.590 1.00 50.44 H new ATOM 0 HD3 ARG A 26 8.233 -15.176 -7.232 1.00 50.44 H new ATOM 0 HE ARG A 26 9.588 -17.033 -8.631 1.00 72.50 H new ATOM 0 HH11 ARG A 26 9.091 -16.515 -5.211 1.00 54.23 H new ATOM 0 HH12 ARG A 26 9.884 -18.022 -4.740 1.00 54.23 H new ATOM 0 HH21 ARG A 26 10.989 -18.750 -8.035 1.00 40.52 H new ATOM 0 HH22 ARG A 26 10.971 -19.301 -6.357 1.00 40.52 H new ATOM 406 N PRO A 27 10.766 -10.326 -9.290 1.00 42.20 N ATOM 407 CA PRO A 27 12.056 -10.247 -8.625 1.00 25.13 C ATOM 408 C PRO A 27 11.853 -9.602 -7.260 1.00 54.12 C ATOM 409 O PRO A 27 10.989 -8.748 -7.078 1.00 33.40 O ATOM 410 CB PRO A 27 12.942 -9.399 -9.539 1.00 52.33 C ATOM 411 CG PRO A 27 11.934 -8.489 -10.244 1.00 2.21 C ATOM 412 CD PRO A 27 10.700 -9.383 -10.391 1.00 2.11 C ATOM 0 HA PRO A 27 12.521 -11.219 -8.458 1.00 25.13 H new ATOM 0 HB2 PRO A 27 13.676 -8.826 -8.972 1.00 52.33 H new ATOM 0 HB3 PRO A 27 13.496 -10.014 -10.248 1.00 52.33 H new ATOM 0 HG2 PRO A 27 11.717 -7.597 -9.657 1.00 2.21 H new ATOM 0 HG3 PRO A 27 12.304 -8.151 -11.212 1.00 2.21 H new ATOM 0 HD2 PRO A 27 9.783 -8.795 -10.349 1.00 2.11 H new ATOM 0 HD3 PRO A 27 10.703 -9.900 -11.350 1.00 2.11 H new ATOM 420 N SER A 28 12.570 -10.101 -6.263 1.00 13.34 N ATOM 421 CA SER A 28 12.303 -9.768 -4.875 1.00 62.35 C ATOM 422 C SER A 28 12.592 -8.278 -4.622 1.00 31.12 C ATOM 423 O SER A 28 11.926 -7.643 -3.804 1.00 12.54 O ATOM 424 CB SER A 28 13.116 -10.747 -4.026 1.00 75.30 C ATOM 425 OG SER A 28 12.831 -10.566 -2.670 1.00 10.03 O ATOM 0 H SER A 28 13.350 -10.745 -6.395 1.00 13.34 H new ATOM 0 HA SER A 28 11.254 -9.883 -4.601 1.00 62.35 H new ATOM 0 HB2 SER A 28 12.886 -11.771 -4.319 1.00 75.30 H new ATOM 0 HB3 SER A 28 14.181 -10.596 -4.204 1.00 75.30 H new ATOM 0 HG SER A 28 13.356 -11.199 -2.138 1.00 10.03 H new ATOM 431 N ASP A 29 13.485 -7.698 -5.426 1.00 65.21 N ATOM 432 CA ASP A 29 13.867 -6.290 -5.443 1.00 53.44 C ATOM 433 C ASP A 29 12.792 -5.392 -6.070 1.00 15.31 C ATOM 434 O ASP A 29 13.041 -4.204 -6.278 1.00 11.02 O ATOM 435 CB ASP A 29 15.213 -6.140 -6.173 1.00 41.22 C ATOM 436 CG ASP A 29 16.317 -6.918 -5.464 1.00 54.30 C ATOM 437 OD1 ASP A 29 16.380 -6.911 -4.218 1.00 40.12 O ATOM 438 OD2 ASP A 29 17.065 -7.669 -6.136 1.00 50.32 O ATOM 0 H ASP A 29 13.992 -8.237 -6.128 1.00 65.21 H new ATOM 0 HA ASP A 29 13.971 -5.955 -4.411 1.00 53.44 H new ATOM 0 HB2 ASP A 29 15.115 -6.496 -7.198 1.00 41.22 H new ATOM 0 HB3 ASP A 29 15.485 -5.086 -6.227 1.00 41.22 H new ATOM 443 N TRP A 30 11.584 -5.904 -6.352 1.00 12.51 N ATOM 444 CA TRP A 30 10.435 -5.100 -6.779 1.00 3.32 C ATOM 445 C TRP A 30 10.206 -3.912 -5.829 1.00 51.41 C ATOM 446 O TRP A 30 9.845 -2.815 -6.261 1.00 1.15 O ATOM 447 CB TRP A 30 9.177 -5.984 -6.861 1.00 53.31 C ATOM 448 CG TRP A 30 8.581 -6.430 -5.549 1.00 41.12 C ATOM 449 CD1 TRP A 30 8.775 -7.605 -4.903 1.00 52.35 C ATOM 450 CD2 TRP A 30 7.668 -5.671 -4.706 1.00 11.33 C ATOM 451 NE1 TRP A 30 8.070 -7.604 -3.713 1.00 65.44 N ATOM 452 CE2 TRP A 30 7.352 -6.437 -3.545 1.00 73.13 C ATOM 453 CE3 TRP A 30 7.106 -4.384 -4.804 1.00 52.05 C ATOM 454 CZ2 TRP A 30 6.505 -5.946 -2.534 1.00 71.31 C ATOM 455 CZ3 TRP A 30 6.276 -3.881 -3.794 1.00 51.13 C ATOM 456 CH2 TRP A 30 5.974 -4.655 -2.664 1.00 75.30 C ATOM 0 H TRP A 30 11.378 -6.901 -6.288 1.00 12.51 H new ATOM 0 HA TRP A 30 10.646 -4.695 -7.769 1.00 3.32 H new ATOM 0 HB2 TRP A 30 8.413 -5.439 -7.415 1.00 53.31 H new ATOM 0 HB3 TRP A 30 9.421 -6.872 -7.444 1.00 53.31 H new ATOM 0 HD1 TRP A 30 9.387 -8.419 -5.263 1.00 52.35 H new ATOM 0 HE1 TRP A 30 8.079 -8.372 -3.042 1.00 65.44 H new ATOM 0 HE3 TRP A 30 7.318 -3.775 -5.671 1.00 52.05 H new ATOM 0 HZ2 TRP A 30 6.268 -6.553 -1.673 1.00 71.31 H new ATOM 0 HZ3 TRP A 30 5.864 -2.887 -3.886 1.00 51.13 H new ATOM 0 HH2 TRP A 30 5.332 -4.256 -1.893 1.00 75.30 H new ATOM 467 N VAL A 31 10.467 -4.128 -4.537 1.00 14.23 N ATOM 468 CA VAL A 31 10.402 -3.144 -3.466 1.00 71.00 C ATOM 469 C VAL A 31 11.275 -1.939 -3.825 1.00 41.34 C ATOM 470 O VAL A 31 10.845 -0.789 -3.709 1.00 54.33 O ATOM 471 CB VAL A 31 10.859 -3.844 -2.165 1.00 3.35 C ATOM 472 CG1 VAL A 31 10.994 -2.908 -0.960 1.00 52.34 C ATOM 473 CG2 VAL A 31 9.892 -4.972 -1.781 1.00 71.31 C ATOM 0 H VAL A 31 10.745 -5.049 -4.197 1.00 14.23 H new ATOM 0 HA VAL A 31 9.390 -2.765 -3.323 1.00 71.00 H new ATOM 0 HB VAL A 31 11.851 -4.233 -2.397 1.00 3.35 H new ATOM 0 HG11 VAL A 31 11.318 -3.479 -0.090 1.00 52.34 H new ATOM 0 HG12 VAL A 31 11.729 -2.134 -1.181 1.00 52.34 H new ATOM 0 HG13 VAL A 31 10.030 -2.443 -0.750 1.00 52.34 H new ATOM 0 HG21 VAL A 31 10.235 -5.449 -0.863 1.00 71.31 H new ATOM 0 HG22 VAL A 31 8.895 -4.559 -1.625 1.00 71.31 H new ATOM 0 HG23 VAL A 31 9.858 -5.710 -2.582 1.00 71.31 H new ATOM 483 N ASP A 32 12.505 -2.204 -4.267 1.00 63.32 N ATOM 484 CA ASP A 32 13.481 -1.176 -4.590 1.00 21.15 C ATOM 485 C ASP A 32 13.131 -0.488 -5.908 1.00 51.14 C ATOM 486 O ASP A 32 13.425 0.693 -6.093 1.00 13.32 O ATOM 487 CB ASP A 32 14.888 -1.784 -4.649 1.00 23.45 C ATOM 488 CG ASP A 32 15.939 -0.704 -4.398 1.00 72.30 C ATOM 489 OD1 ASP A 32 16.022 -0.241 -3.239 1.00 61.04 O ATOM 490 OD2 ASP A 32 16.678 -0.332 -5.344 1.00 54.40 O ATOM 0 H ASP A 32 12.851 -3.153 -4.411 1.00 63.32 H new ATOM 0 HA ASP A 32 13.462 -0.421 -3.804 1.00 21.15 H new ATOM 0 HB2 ASP A 32 14.982 -2.574 -3.904 1.00 23.45 H new ATOM 0 HB3 ASP A 32 15.053 -2.243 -5.624 1.00 23.45 H new ATOM 495 N ARG A 33 12.462 -1.191 -6.832 1.00 72.43 N ATOM 496 CA ARG A 33 11.962 -0.565 -8.056 1.00 61.34 C ATOM 497 C ARG A 33 10.924 0.498 -7.706 1.00 23.00 C ATOM 498 O ARG A 33 11.045 1.620 -8.205 1.00 72.11 O ATOM 499 CB ARG A 33 11.386 -1.583 -9.057 1.00 44.42 C ATOM 500 CG ARG A 33 12.409 -2.638 -9.508 1.00 14.25 C ATOM 501 CD ARG A 33 12.034 -3.279 -10.853 1.00 22.32 C ATOM 502 NE ARG A 33 12.289 -2.353 -11.969 1.00 3.51 N ATOM 503 CZ ARG A 33 11.605 -2.220 -13.111 1.00 53.45 C ATOM 504 NH1 ARG A 33 10.562 -2.994 -13.396 1.00 71.24 N ATOM 505 NH2 ARG A 33 11.973 -1.279 -13.973 1.00 50.41 N ATOM 0 H ARG A 33 12.257 -2.187 -6.753 1.00 72.43 H new ATOM 0 HA ARG A 33 12.812 -0.096 -8.552 1.00 61.34 H new ATOM 0 HB2 ARG A 33 10.532 -2.086 -8.603 1.00 44.42 H new ATOM 0 HB3 ARG A 33 11.014 -1.051 -9.932 1.00 44.42 H new ATOM 0 HG2 ARG A 33 13.392 -2.175 -9.591 1.00 14.25 H new ATOM 0 HG3 ARG A 33 12.486 -3.415 -8.747 1.00 14.25 H new ATOM 0 HD2 ARG A 33 12.609 -4.194 -10.997 1.00 22.32 H new ATOM 0 HD3 ARG A 33 10.981 -3.562 -10.844 1.00 22.32 H new ATOM 0 HE ARG A 33 13.091 -1.733 -11.857 1.00 3.51 H new ATOM 0 HH11 ARG A 33 10.264 -3.712 -12.736 1.00 71.24 H new ATOM 0 HH12 ARG A 33 10.060 -2.869 -14.275 1.00 71.24 H new ATOM 0 HH21 ARG A 33 12.765 -0.673 -13.759 1.00 50.41 H new ATOM 0 HH22 ARG A 33 11.464 -1.162 -14.849 1.00 50.41 H new ATOM 519 N MET A 34 9.938 0.164 -6.862 1.00 31.03 N ATOM 520 CA MET A 34 8.866 1.082 -6.487 1.00 14.11 C ATOM 521 C MET A 34 9.457 2.325 -5.834 1.00 55.32 C ATOM 522 O MET A 34 9.170 3.439 -6.277 1.00 14.53 O ATOM 523 CB MET A 34 7.850 0.434 -5.525 1.00 30.34 C ATOM 524 CG MET A 34 6.565 -0.099 -6.143 1.00 21.14 C ATOM 525 SD MET A 34 5.659 1.159 -7.068 1.00 12.10 S ATOM 526 CE MET A 34 4.375 0.078 -7.703 1.00 13.41 C ATOM 0 H MET A 34 9.866 -0.753 -6.422 1.00 31.03 H new ATOM 0 HA MET A 34 8.334 1.349 -7.400 1.00 14.11 H new ATOM 0 HB2 MET A 34 8.346 -0.389 -5.010 1.00 30.34 H new ATOM 0 HB3 MET A 34 7.583 1.170 -4.767 1.00 30.34 H new ATOM 0 HG2 MET A 34 6.804 -0.930 -6.807 1.00 21.14 H new ATOM 0 HG3 MET A 34 5.925 -0.495 -5.354 1.00 21.14 H new ATOM 0 HE1 MET A 34 3.419 0.601 -7.688 1.00 13.41 H new ATOM 0 HE2 MET A 34 4.615 -0.210 -8.727 1.00 13.41 H new ATOM 0 HE3 MET A 34 4.310 -0.815 -7.081 1.00 13.41 H new ATOM 536 N CYS A 35 10.266 2.160 -4.777 1.00 72.23 N ATOM 537 CA CYS A 35 10.731 3.315 -4.017 1.00 2.40 C ATOM 538 C CYS A 35 11.516 4.281 -4.914 1.00 43.22 C ATOM 539 O CYS A 35 11.371 5.486 -4.754 1.00 22.30 O ATOM 540 CB CYS A 35 11.511 2.881 -2.766 1.00 20.53 C ATOM 541 SG CYS A 35 13.124 2.153 -3.159 1.00 12.42 S ATOM 0 H CYS A 35 10.602 1.258 -4.440 1.00 72.23 H new ATOM 0 HA CYS A 35 9.863 3.866 -3.656 1.00 2.40 H new ATOM 0 HB2 CYS A 35 11.656 3.744 -2.117 1.00 20.53 H new ATOM 0 HB3 CYS A 35 10.918 2.157 -2.207 1.00 20.53 H new ATOM 0 HG CYS A 35 14.017 3.094 -3.237 1.00 12.42 H new ATOM 547 N SER A 36 12.297 3.769 -5.872 1.00 43.13 N ATOM 548 CA SER A 36 13.031 4.552 -6.861 1.00 23.50 C ATOM 549 C SER A 36 12.062 5.415 -7.676 1.00 3.15 C ATOM 550 O SER A 36 12.211 6.634 -7.745 1.00 74.54 O ATOM 551 CB SER A 36 13.791 3.564 -7.759 1.00 61.33 C ATOM 552 OG SER A 36 14.948 4.075 -8.388 1.00 73.44 O ATOM 0 H SER A 36 12.437 2.764 -5.980 1.00 43.13 H new ATOM 0 HA SER A 36 13.735 5.230 -6.379 1.00 23.50 H new ATOM 0 HB2 SER A 36 14.077 2.701 -7.158 1.00 61.33 H new ATOM 0 HB3 SER A 36 13.110 3.204 -8.530 1.00 61.33 H new ATOM 0 HG SER A 36 15.361 3.373 -8.934 1.00 73.44 H new ATOM 558 N THR A 37 11.056 4.793 -8.292 1.00 4.51 N ATOM 559 CA THR A 37 10.116 5.482 -9.168 1.00 61.02 C ATOM 560 C THR A 37 9.423 6.644 -8.450 1.00 2.42 C ATOM 561 O THR A 37 9.268 7.720 -9.033 1.00 51.10 O ATOM 562 CB THR A 37 9.112 4.457 -9.713 1.00 35.44 C ATOM 563 OG1 THR A 37 9.807 3.394 -10.336 1.00 73.31 O ATOM 564 CG2 THR A 37 8.134 5.060 -10.720 1.00 52.13 C ATOM 0 H THR A 37 10.872 3.794 -8.195 1.00 4.51 H new ATOM 0 HA THR A 37 10.656 5.928 -10.003 1.00 61.02 H new ATOM 0 HB THR A 37 8.533 4.101 -8.861 1.00 35.44 H new ATOM 0 HG1 THR A 37 10.086 2.744 -9.658 1.00 73.31 H new ATOM 0 HG21 THR A 37 7.449 4.287 -11.070 1.00 52.13 H new ATOM 0 HG22 THR A 37 7.566 5.859 -10.242 1.00 52.13 H new ATOM 0 HG23 THR A 37 8.688 5.465 -11.567 1.00 52.13 H new ATOM 572 N TYR A 38 9.031 6.447 -7.193 1.00 72.14 N ATOM 573 CA TYR A 38 8.288 7.424 -6.407 1.00 13.30 C ATOM 574 C TYR A 38 9.218 8.353 -5.607 1.00 51.10 C ATOM 575 O TYR A 38 8.752 9.126 -4.765 1.00 33.02 O ATOM 576 CB TYR A 38 7.293 6.669 -5.519 1.00 2.25 C ATOM 577 CG TYR A 38 6.095 6.091 -6.256 1.00 2.35 C ATOM 578 CD1 TYR A 38 6.237 4.980 -7.109 1.00 23.43 C ATOM 579 CD2 TYR A 38 4.825 6.672 -6.093 1.00 12.23 C ATOM 580 CE1 TYR A 38 5.142 4.472 -7.828 1.00 63.43 C ATOM 581 CE2 TYR A 38 3.717 6.150 -6.782 1.00 22.14 C ATOM 582 CZ TYR A 38 3.868 5.053 -7.660 1.00 23.53 C ATOM 583 OH TYR A 38 2.787 4.569 -8.329 1.00 0.04 O ATOM 0 H TYR A 38 9.226 5.585 -6.684 1.00 72.14 H new ATOM 0 HA TYR A 38 7.736 8.088 -7.072 1.00 13.30 H new ATOM 0 HB2 TYR A 38 7.819 5.858 -5.016 1.00 2.25 H new ATOM 0 HB3 TYR A 38 6.934 7.345 -4.743 1.00 2.25 H new ATOM 0 HD1 TYR A 38 7.204 4.510 -7.212 1.00 23.43 H new ATOM 0 HD2 TYR A 38 4.701 7.521 -5.437 1.00 12.23 H new ATOM 0 HE1 TYR A 38 5.275 3.641 -8.505 1.00 63.43 H new ATOM 0 HE2 TYR A 38 2.742 6.591 -6.639 1.00 22.14 H new ATOM 0 HH TYR A 38 1.966 4.881 -7.894 1.00 0.04 H new ATOM 593 N ALA A 39 10.528 8.291 -5.847 1.00 53.34 N ATOM 594 CA ALA A 39 11.542 9.145 -5.255 1.00 30.21 C ATOM 595 C ALA A 39 12.060 10.136 -6.291 1.00 5.44 C ATOM 596 O ALA A 39 11.640 10.121 -7.454 1.00 22.42 O ATOM 597 CB ALA A 39 12.673 8.254 -4.750 1.00 75.31 C ATOM 0 H ALA A 39 10.924 7.608 -6.493 1.00 53.34 H new ATOM 0 HA ALA A 39 11.123 9.717 -4.427 1.00 30.21 H new ATOM 0 HB1 ALA A 39 13.450 8.872 -4.300 1.00 75.31 H new ATOM 0 HB2 ALA A 39 12.284 7.560 -4.005 1.00 75.31 H new ATOM 0 HB3 ALA A 39 13.094 7.693 -5.584 1.00 75.31 H new ATOM 603 N SER A 40 12.982 11.007 -5.874 1.00 71.35 N ATOM 604 CA SER A 40 13.563 11.986 -6.771 1.00 15.33 C ATOM 605 C SER A 40 14.843 12.521 -6.163 1.00 22.11 C ATOM 606 O SER A 40 15.139 12.297 -4.995 1.00 34.35 O ATOM 607 CB SER A 40 12.546 13.106 -6.992 1.00 63.52 C ATOM 608 OG SER A 40 12.743 13.728 -8.240 1.00 55.05 O ATOM 0 H SER A 40 13.337 11.047 -4.919 1.00 71.35 H new ATOM 0 HA SER A 40 13.806 11.535 -7.733 1.00 15.33 H new ATOM 0 HB2 SER A 40 11.536 12.700 -6.939 1.00 63.52 H new ATOM 0 HB3 SER A 40 12.635 13.845 -6.195 1.00 63.52 H new ATOM 0 HG SER A 40 12.080 14.440 -8.359 1.00 55.05 H new ATOM 728 N ARG A 48 16.460 11.107 -2.938 1.00 22.04 N ATOM 729 CA ARG A 48 15.715 11.172 -1.688 1.00 2.44 C ATOM 730 C ARG A 48 14.426 10.391 -1.886 1.00 12.11 C ATOM 731 O ARG A 48 13.689 10.673 -2.829 1.00 12.35 O ATOM 732 CB ARG A 48 15.386 12.631 -1.333 1.00 53.34 C ATOM 733 CG ARG A 48 16.433 13.241 -0.383 1.00 75.43 C ATOM 734 CD ARG A 48 17.642 13.772 -1.166 1.00 73.51 C ATOM 735 NE ARG A 48 18.886 13.756 -0.380 1.00 5.01 N ATOM 736 CZ ARG A 48 19.531 14.826 0.094 1.00 14.31 C ATOM 737 NH1 ARG A 48 18.960 16.027 0.039 1.00 40.40 N ATOM 738 NH2 ARG A 48 20.749 14.681 0.603 1.00 61.12 N ATOM 0 HA ARG A 48 16.306 10.752 -0.874 1.00 2.44 H new ATOM 0 HB2 ARG A 48 15.335 13.224 -2.246 1.00 53.34 H new ATOM 0 HB3 ARG A 48 14.402 12.678 -0.867 1.00 53.34 H new ATOM 0 HG2 ARG A 48 15.982 14.051 0.190 1.00 75.43 H new ATOM 0 HG3 ARG A 48 16.761 12.488 0.334 1.00 75.43 H new ATOM 0 HD2 ARG A 48 17.779 13.171 -2.065 1.00 73.51 H new ATOM 0 HD3 ARG A 48 17.438 14.792 -1.492 1.00 73.51 H new ATOM 0 HE ARG A 48 19.294 12.843 -0.178 1.00 5.01 H new ATOM 0 HH11 ARG A 48 18.029 16.131 -0.365 1.00 40.40 H new ATOM 0 HH12 ARG A 48 19.453 16.843 0.401 1.00 40.40 H new ATOM 0 HH21 ARG A 48 21.184 13.759 0.630 1.00 61.12 H new ATOM 0 HH22 ARG A 48 21.249 15.492 0.967 1.00 61.12 H new ATOM 752 N TYR A 49 14.183 9.400 -1.034 1.00 25.05 N ATOM 753 CA TYR A 49 12.918 8.685 -0.978 1.00 62.34 C ATOM 754 C TYR A 49 11.975 9.519 -0.127 1.00 12.12 C ATOM 755 O TYR A 49 12.400 10.041 0.909 1.00 2.43 O ATOM 756 CB TYR A 49 13.127 7.293 -0.356 1.00 11.53 C ATOM 757 CG TYR A 49 14.133 6.451 -1.114 1.00 43.34 C ATOM 758 CD1 TYR A 49 13.773 5.897 -2.356 1.00 1.22 C ATOM 759 CD2 TYR A 49 15.446 6.291 -0.629 1.00 62.51 C ATOM 760 CE1 TYR A 49 14.728 5.243 -3.149 1.00 42.33 C ATOM 761 CE2 TYR A 49 16.403 5.612 -1.406 1.00 61.12 C ATOM 762 CZ TYR A 49 16.045 5.093 -2.672 1.00 12.35 C ATOM 763 OH TYR A 49 16.979 4.508 -3.462 1.00 62.11 O ATOM 0 H TYR A 49 14.869 9.069 -0.356 1.00 25.05 H new ATOM 0 HA TYR A 49 12.503 8.538 -1.975 1.00 62.34 H new ATOM 0 HB2 TYR A 49 13.461 7.408 0.675 1.00 11.53 H new ATOM 0 HB3 TYR A 49 12.172 6.768 -0.325 1.00 11.53 H new ATOM 0 HD1 TYR A 49 12.753 5.976 -2.702 1.00 1.22 H new ATOM 0 HD2 TYR A 49 15.718 6.689 0.338 1.00 62.51 H new ATOM 0 HE1 TYR A 49 14.455 4.857 -4.120 1.00 42.33 H new ATOM 0 HE2 TYR A 49 17.410 5.487 -1.036 1.00 61.12 H new ATOM 0 HH TYR A 49 17.837 4.481 -2.989 1.00 62.11 H new ATOM 773 N SER A 50 10.702 9.625 -0.500 1.00 3.34 N ATOM 774 CA SER A 50 9.715 10.264 0.363 1.00 11.25 C ATOM 775 C SER A 50 9.613 9.511 1.700 1.00 22.31 C ATOM 776 O SER A 50 9.798 8.291 1.721 1.00 62.24 O ATOM 777 CB SER A 50 8.363 10.287 -0.357 1.00 14.23 C ATOM 778 OG SER A 50 8.491 10.985 -1.578 1.00 43.43 O ATOM 0 H SER A 50 10.333 9.280 -1.386 1.00 3.34 H new ATOM 0 HA SER A 50 10.020 11.288 0.579 1.00 11.25 H new ATOM 0 HB2 SER A 50 8.020 9.269 -0.542 1.00 14.23 H new ATOM 0 HB3 SER A 50 7.613 10.767 0.271 1.00 14.23 H new ATOM 0 HG SER A 50 7.627 10.998 -2.039 1.00 43.43 H new ATOM 784 N PRO A 51 9.275 10.184 2.814 1.00 41.23 N ATOM 785 CA PRO A 51 8.989 9.537 4.092 1.00 32.34 C ATOM 786 C PRO A 51 7.703 8.695 4.059 1.00 50.41 C ATOM 787 O PRO A 51 7.271 8.201 5.096 1.00 60.21 O ATOM 788 CB PRO A 51 8.913 10.678 5.111 1.00 20.14 C ATOM 789 CG PRO A 51 8.431 11.860 4.281 1.00 41.31 C ATOM 790 CD PRO A 51 9.109 11.624 2.935 1.00 74.42 C ATOM 0 HA PRO A 51 9.765 8.817 4.352 1.00 32.34 H new ATOM 0 HB2 PRO A 51 8.222 10.448 5.922 1.00 20.14 H new ATOM 0 HB3 PRO A 51 9.883 10.876 5.566 1.00 20.14 H new ATOM 0 HG2 PRO A 51 7.345 11.875 4.190 1.00 41.31 H new ATOM 0 HG3 PRO A 51 8.727 12.812 4.722 1.00 41.31 H new ATOM 0 HD2 PRO A 51 8.502 12.016 2.119 1.00 74.42 H new ATOM 0 HD3 PRO A 51 10.072 12.133 2.889 1.00 74.42 H new ATOM 798 N TYR A 52 7.067 8.554 2.896 1.00 31.22 N ATOM 799 CA TYR A 52 5.805 7.863 2.712 1.00 21.04 C ATOM 800 C TYR A 52 5.973 6.518 2.014 1.00 35.02 C ATOM 801 O TYR A 52 4.975 5.980 1.547 1.00 60.22 O ATOM 802 CB TYR A 52 4.825 8.782 1.959 1.00 1.25 C ATOM 803 CG TYR A 52 4.652 10.185 2.524 1.00 62.22 C ATOM 804 CD1 TYR A 52 4.620 10.413 3.917 1.00 74.35 C ATOM 805 CD2 TYR A 52 4.516 11.273 1.639 1.00 24.03 C ATOM 806 CE1 TYR A 52 4.466 11.715 4.419 1.00 40.23 C ATOM 807 CE2 TYR A 52 4.358 12.578 2.135 1.00 21.32 C ATOM 808 CZ TYR A 52 4.345 12.803 3.528 1.00 24.34 C ATOM 809 OH TYR A 52 4.227 14.061 4.024 1.00 33.10 O ATOM 0 H TYR A 52 7.437 8.936 2.026 1.00 31.22 H new ATOM 0 HA TYR A 52 5.393 7.634 3.695 1.00 21.04 H new ATOM 0 HB2 TYR A 52 5.161 8.868 0.926 1.00 1.25 H new ATOM 0 HB3 TYR A 52 3.849 8.298 1.938 1.00 1.25 H new ATOM 0 HD1 TYR A 52 4.714 9.582 4.600 1.00 74.35 H new ATOM 0 HD2 TYR A 52 4.533 11.103 0.573 1.00 24.03 H new ATOM 0 HE1 TYR A 52 4.440 11.884 5.485 1.00 40.23 H new ATOM 0 HE2 TYR A 52 4.247 13.407 1.452 1.00 21.32 H new ATOM 0 HH TYR A 52 4.154 14.699 3.284 1.00 33.10 H new ATOM 819 N LEU A 53 7.197 6.000 1.877 1.00 12.23 N ATOM 820 CA LEU A 53 7.508 4.843 1.044 1.00 32.14 C ATOM 821 C LEU A 53 8.831 4.250 1.521 1.00 60.20 C ATOM 822 O LEU A 53 9.886 4.780 1.166 1.00 22.43 O ATOM 823 CB LEU A 53 7.606 5.303 -0.422 1.00 44.41 C ATOM 824 CG LEU A 53 6.392 4.896 -1.273 1.00 61.23 C ATOM 825 CD1 LEU A 53 6.202 5.908 -2.396 1.00 15.52 C ATOM 826 CD2 LEU A 53 6.608 3.499 -1.857 1.00 52.23 C ATOM 0 H LEU A 53 8.013 6.384 2.353 1.00 12.23 H new ATOM 0 HA LEU A 53 6.731 4.082 1.118 1.00 32.14 H new ATOM 0 HB2 LEU A 53 7.711 6.388 -0.448 1.00 44.41 H new ATOM 0 HB3 LEU A 53 8.509 4.884 -0.867 1.00 44.41 H new ATOM 0 HG LEU A 53 5.500 4.879 -0.647 1.00 61.23 H new ATOM 0 HD11 LEU A 53 5.342 5.622 -3.002 1.00 15.52 H new ATOM 0 HD12 LEU A 53 6.033 6.897 -1.970 1.00 15.52 H new ATOM 0 HD13 LEU A 53 7.095 5.930 -3.021 1.00 15.52 H new ATOM 0 HD21 LEU A 53 5.743 3.218 -2.458 1.00 52.23 H new ATOM 0 HD22 LEU A 53 7.500 3.500 -2.483 1.00 52.23 H new ATOM 0 HD23 LEU A 53 6.734 2.781 -1.046 1.00 52.23 H new ATOM 838 N LYS A 54 8.802 3.183 2.328 1.00 40.03 N ATOM 839 CA LYS A 54 10.021 2.521 2.804 1.00 32.15 C ATOM 840 C LYS A 54 9.814 1.014 2.935 1.00 4.33 C ATOM 841 O LYS A 54 8.695 0.568 3.190 1.00 61.12 O ATOM 842 CB LYS A 54 10.458 3.099 4.162 1.00 72.04 C ATOM 843 CG LYS A 54 11.022 4.525 4.011 1.00 22.32 C ATOM 844 CD LYS A 54 11.795 5.056 5.220 1.00 11.34 C ATOM 845 CE LYS A 54 10.959 4.997 6.502 1.00 45.22 C ATOM 846 NZ LYS A 54 11.236 6.141 7.390 1.00 71.12 N ATOM 0 H LYS A 54 7.939 2.757 2.667 1.00 40.03 H new ATOM 0 HA LYS A 54 10.803 2.704 2.067 1.00 32.15 H new ATOM 0 HB2 LYS A 54 9.608 3.113 4.844 1.00 72.04 H new ATOM 0 HB3 LYS A 54 11.214 2.453 4.608 1.00 72.04 H new ATOM 0 HG2 LYS A 54 11.680 4.547 3.142 1.00 22.32 H new ATOM 0 HG3 LYS A 54 10.195 5.204 3.803 1.00 22.32 H new ATOM 0 HD2 LYS A 54 12.706 4.473 5.353 1.00 11.34 H new ATOM 0 HD3 LYS A 54 12.100 6.085 5.032 1.00 11.34 H new ATOM 0 HE2 LYS A 54 9.900 4.985 6.245 1.00 45.22 H new ATOM 0 HE3 LYS A 54 11.170 4.067 7.031 1.00 45.22 H new ATOM 0 HZ1 LYS A 54 10.651 6.065 8.247 1.00 71.12 H new ATOM 0 HZ2 LYS A 54 12.241 6.139 7.656 1.00 71.12 H new ATOM 0 HZ3 LYS A 54 11.011 7.027 6.895 1.00 71.12 H new ATOM 860 N PRO A 55 10.874 0.202 2.794 1.00 13.43 N ATOM 861 CA PRO A 55 10.790 -1.229 3.040 1.00 25.24 C ATOM 862 C PRO A 55 10.510 -1.504 4.524 1.00 53.44 C ATOM 863 O PRO A 55 10.662 -0.631 5.383 1.00 61.34 O ATOM 864 CB PRO A 55 12.141 -1.790 2.587 1.00 75.24 C ATOM 865 CG PRO A 55 13.103 -0.620 2.772 1.00 60.23 C ATOM 866 CD PRO A 55 12.232 0.591 2.445 1.00 73.41 C ATOM 0 HA PRO A 55 9.972 -1.703 2.498 1.00 25.24 H new ATOM 0 HB2 PRO A 55 12.438 -2.650 3.187 1.00 75.24 H new ATOM 0 HB3 PRO A 55 12.109 -2.121 1.549 1.00 75.24 H new ATOM 0 HG2 PRO A 55 13.493 -0.574 3.789 1.00 60.23 H new ATOM 0 HG3 PRO A 55 13.961 -0.693 2.104 1.00 60.23 H new ATOM 0 HD2 PRO A 55 12.548 1.466 3.014 1.00 73.41 H new ATOM 0 HD3 PRO A 55 12.306 0.853 1.390 1.00 73.41 H new ATOM 874 N ARG A 56 10.121 -2.738 4.837 1.00 13.43 N ATOM 875 CA ARG A 56 9.905 -3.239 6.195 1.00 44.22 C ATOM 876 C ARG A 56 10.535 -4.637 6.249 1.00 2.32 C ATOM 877 O ARG A 56 11.320 -4.992 5.370 1.00 43.03 O ATOM 878 CB ARG A 56 8.393 -3.209 6.514 1.00 30.03 C ATOM 879 CG ARG A 56 8.016 -2.193 7.603 1.00 25.53 C ATOM 880 CD ARG A 56 6.504 -2.312 7.826 1.00 43.05 C ATOM 881 NE ARG A 56 5.965 -1.656 9.034 1.00 24.11 N ATOM 882 CZ ARG A 56 5.348 -0.465 9.030 1.00 14.21 C ATOM 883 NH1 ARG A 56 5.665 0.475 8.150 1.00 2.21 N ATOM 884 NH2 ARG A 56 4.391 -0.207 9.910 1.00 21.54 N ATOM 0 H ARG A 56 9.940 -3.445 4.124 1.00 13.43 H new ATOM 0 HA ARG A 56 10.375 -2.624 6.963 1.00 44.22 H new ATOM 0 HB2 ARG A 56 7.842 -2.974 5.603 1.00 30.03 H new ATOM 0 HB3 ARG A 56 8.077 -4.203 6.831 1.00 30.03 H new ATOM 0 HG2 ARG A 56 8.559 -2.398 8.526 1.00 25.53 H new ATOM 0 HG3 ARG A 56 8.282 -1.182 7.295 1.00 25.53 H new ATOM 0 HD2 ARG A 56 5.997 -1.896 6.956 1.00 43.05 H new ATOM 0 HD3 ARG A 56 6.247 -3.370 7.869 1.00 43.05 H new ATOM 0 HE ARG A 56 6.068 -2.138 9.927 1.00 24.11 H new ATOM 0 HH11 ARG A 56 6.392 0.300 7.456 1.00 2.21 H new ATOM 0 HH12 ARG A 56 5.182 1.373 8.167 1.00 2.21 H new ATOM 0 HH21 ARG A 56 4.122 -0.915 10.593 1.00 21.54 H new ATOM 0 HH22 ARG A 56 3.924 0.700 9.904 1.00 21.54 H new ATOM 898 N VAL A 57 10.208 -5.429 7.267 1.00 42.11 N ATOM 899 CA VAL A 57 10.129 -6.880 7.158 1.00 61.03 C ATOM 900 C VAL A 57 8.850 -7.269 7.915 1.00 65.54 C ATOM 901 O VAL A 57 8.636 -6.786 9.032 1.00 4.34 O ATOM 902 CB VAL A 57 11.366 -7.556 7.785 1.00 4.45 C ATOM 903 CG1 VAL A 57 11.230 -9.086 7.801 1.00 54.25 C ATOM 904 CG2 VAL A 57 12.656 -7.221 7.030 1.00 14.44 C ATOM 0 H VAL A 57 9.989 -5.077 8.199 1.00 42.11 H new ATOM 0 HA VAL A 57 10.104 -7.205 6.118 1.00 61.03 H new ATOM 0 HB VAL A 57 11.421 -7.168 8.802 1.00 4.45 H new ATOM 0 HG11 VAL A 57 12.121 -9.526 8.250 1.00 54.25 H new ATOM 0 HG12 VAL A 57 10.353 -9.367 8.384 1.00 54.25 H new ATOM 0 HG13 VAL A 57 11.120 -9.452 6.780 1.00 54.25 H new ATOM 0 HG21 VAL A 57 13.498 -7.720 7.509 1.00 14.44 H new ATOM 0 HG22 VAL A 57 12.572 -7.561 5.998 1.00 14.44 H new ATOM 0 HG23 VAL A 57 12.817 -6.143 7.045 1.00 14.44 H new ATOM 914 N ILE A 58 8.026 -8.156 7.358 1.00 30.44 N ATOM 915 CA ILE A 58 6.935 -8.835 8.067 1.00 11.10 C ATOM 916 C ILE A 58 7.079 -10.318 7.735 1.00 4.21 C ATOM 917 O ILE A 58 7.070 -10.659 6.560 1.00 1.00 O ATOM 918 CB ILE A 58 5.556 -8.249 7.654 1.00 30.13 C ATOM 919 CG1 ILE A 58 5.455 -6.784 8.147 1.00 70.43 C ATOM 920 CG2 ILE A 58 4.398 -9.113 8.193 1.00 14.31 C ATOM 921 CD1 ILE A 58 4.050 -6.174 8.151 1.00 74.51 C ATOM 0 H ILE A 58 8.098 -8.431 6.378 1.00 30.44 H new ATOM 0 HA ILE A 58 6.990 -8.688 9.146 1.00 11.10 H new ATOM 0 HB ILE A 58 5.473 -8.259 6.567 1.00 30.13 H new ATOM 0 HG12 ILE A 58 5.855 -6.734 9.160 1.00 70.43 H new ATOM 0 HG13 ILE A 58 6.097 -6.165 7.520 1.00 70.43 H new ATOM 0 HG21 ILE A 58 3.447 -8.678 7.888 1.00 14.31 H new ATOM 0 HG22 ILE A 58 4.480 -10.123 7.792 1.00 14.31 H new ATOM 0 HG23 ILE A 58 4.448 -9.150 9.281 1.00 14.31 H new ATOM 0 HD11 ILE A 58 4.100 -5.148 8.514 1.00 74.51 H new ATOM 0 HD12 ILE A 58 3.647 -6.181 7.138 1.00 74.51 H new ATOM 0 HD13 ILE A 58 3.401 -6.759 8.803 1.00 74.51 H new ATOM 933 N GLU A 59 7.234 -11.208 8.718 1.00 24.52 N ATOM 934 CA GLU A 59 7.278 -12.665 8.486 1.00 23.25 C ATOM 935 C GLU A 59 8.445 -13.067 7.558 1.00 14.04 C ATOM 936 O GLU A 59 8.411 -14.101 6.882 1.00 55.42 O ATOM 937 CB GLU A 59 5.907 -13.176 7.991 1.00 53.34 C ATOM 938 CG GLU A 59 4.773 -12.857 8.978 1.00 24.04 C ATOM 939 CD GLU A 59 3.380 -13.047 8.377 1.00 53.54 C ATOM 940 OE1 GLU A 59 3.191 -14.015 7.604 1.00 23.34 O ATOM 941 OE2 GLU A 59 2.487 -12.226 8.698 1.00 13.15 O ATOM 0 H GLU A 59 7.333 -10.945 9.699 1.00 24.52 H new ATOM 0 HA GLU A 59 7.479 -13.158 9.437 1.00 23.25 H new ATOM 0 HB2 GLU A 59 5.682 -12.725 7.024 1.00 53.34 H new ATOM 0 HB3 GLU A 59 5.958 -14.254 7.836 1.00 53.34 H new ATOM 0 HG2 GLU A 59 4.873 -13.496 9.855 1.00 24.04 H new ATOM 0 HG3 GLU A 59 4.877 -11.827 9.320 1.00 24.04 H new ATOM 948 N GLY A 60 9.489 -12.235 7.500 1.00 31.13 N ATOM 949 CA GLY A 60 10.634 -12.373 6.610 1.00 32.32 C ATOM 950 C GLY A 60 10.412 -11.748 5.237 1.00 54.12 C ATOM 951 O GLY A 60 11.385 -11.564 4.505 1.00 41.24 O ATOM 0 H GLY A 60 9.557 -11.413 8.100 1.00 31.13 H new ATOM 0 HA2 GLY A 60 11.504 -11.910 7.075 1.00 32.32 H new ATOM 0 HA3 GLY A 60 10.863 -13.431 6.487 1.00 32.32 H new ATOM 955 N VAL A 61 9.180 -11.382 4.876 1.00 72.40 N ATOM 956 CA VAL A 61 8.877 -10.839 3.565 1.00 4.41 C ATOM 957 C VAL A 61 9.427 -9.413 3.497 1.00 22.21 C ATOM 958 O VAL A 61 9.428 -8.674 4.481 1.00 24.44 O ATOM 959 CB VAL A 61 7.370 -10.936 3.279 1.00 70.54 C ATOM 960 CG1 VAL A 61 6.559 -9.757 3.804 1.00 11.24 C ATOM 961 CG2 VAL A 61 7.069 -11.106 1.788 1.00 32.51 C ATOM 0 H VAL A 61 8.369 -11.457 5.490 1.00 72.40 H new ATOM 0 HA VAL A 61 9.359 -11.418 2.777 1.00 4.41 H new ATOM 0 HB VAL A 61 7.061 -11.828 3.824 1.00 70.54 H new ATOM 0 HG11 VAL A 61 5.506 -9.903 3.561 1.00 11.24 H new ATOM 0 HG12 VAL A 61 6.676 -9.688 4.886 1.00 11.24 H new ATOM 0 HG13 VAL A 61 6.914 -8.836 3.341 1.00 11.24 H new ATOM 0 HG21 VAL A 61 5.991 -11.170 1.639 1.00 32.51 H new ATOM 0 HG22 VAL A 61 7.461 -10.251 1.238 1.00 32.51 H new ATOM 0 HG23 VAL A 61 7.540 -12.019 1.424 1.00 32.51 H new ATOM 971 N ARG A 62 9.850 -9.013 2.304 1.00 43.55 N ATOM 972 CA ARG A 62 10.481 -7.723 2.054 1.00 62.14 C ATOM 973 C ARG A 62 9.532 -6.558 2.292 1.00 54.20 C ATOM 974 O ARG A 62 9.894 -5.631 3.006 1.00 22.12 O ATOM 975 CB ARG A 62 11.035 -7.681 0.605 1.00 13.32 C ATOM 976 CG ARG A 62 11.803 -8.929 0.128 1.00 72.33 C ATOM 977 CD ARG A 62 10.859 -10.010 -0.451 1.00 35.53 C ATOM 978 NE ARG A 62 11.302 -11.391 -0.160 1.00 31.53 N ATOM 979 CZ ARG A 62 11.188 -12.468 -0.954 1.00 74.45 C ATOM 980 NH1 ARG A 62 10.687 -12.330 -2.180 1.00 2.44 N ATOM 981 NH2 ARG A 62 11.569 -13.668 -0.530 1.00 63.42 N ATOM 0 H ARG A 62 9.762 -9.588 1.466 1.00 43.55 H new ATOM 0 HA ARG A 62 11.301 -7.615 2.764 1.00 62.14 H new ATOM 0 HB2 ARG A 62 10.200 -7.513 -0.075 1.00 13.32 H new ATOM 0 HB3 ARG A 62 11.696 -6.819 0.517 1.00 13.32 H new ATOM 0 HG2 ARG A 62 12.529 -8.639 -0.631 1.00 72.33 H new ATOM 0 HG3 ARG A 62 12.365 -9.349 0.962 1.00 72.33 H new ATOM 0 HD2 ARG A 62 9.858 -9.864 -0.045 1.00 35.53 H new ATOM 0 HD3 ARG A 62 10.787 -9.879 -1.531 1.00 35.53 H new ATOM 0 HE ARG A 62 11.744 -11.542 0.747 1.00 31.53 H new ATOM 0 HH11 ARG A 62 10.393 -11.411 -2.510 1.00 2.44 H new ATOM 0 HH12 ARG A 62 10.597 -13.143 -2.789 1.00 2.44 H new ATOM 0 HH21 ARG A 62 11.953 -13.779 0.408 1.00 63.42 H new ATOM 0 HH22 ARG A 62 11.477 -14.478 -1.143 1.00 63.42 H new ATOM 995 N CYS A 63 8.318 -6.656 1.738 1.00 60.32 N ATOM 996 CA CYS A 63 7.225 -5.683 1.766 1.00 0.44 C ATOM 997 C CYS A 63 7.625 -4.229 1.444 1.00 32.02 C ATOM 998 O CYS A 63 8.794 -3.908 1.241 1.00 12.22 O ATOM 999 CB CYS A 63 6.394 -5.861 3.053 1.00 24.43 C ATOM 1000 SG CYS A 63 7.295 -5.690 4.613 1.00 12.12 S ATOM 0 H CYS A 63 8.055 -7.491 1.214 1.00 60.32 H new ATOM 0 HA CYS A 63 6.574 -5.910 0.921 1.00 0.44 H new ATOM 0 HB2 CYS A 63 5.585 -5.131 3.042 1.00 24.43 H new ATOM 0 HB3 CYS A 63 5.933 -6.848 3.030 1.00 24.43 H new ATOM 0 HG CYS A 63 8.563 -5.539 4.368 1.00 12.12 H new ATOM 1006 N LEU A 64 6.634 -3.345 1.324 1.00 11.13 N ATOM 1007 CA LEU A 64 6.837 -1.923 1.075 1.00 52.51 C ATOM 1008 C LEU A 64 5.733 -1.188 1.818 1.00 23.34 C ATOM 1009 O LEU A 64 4.558 -1.350 1.483 1.00 4.43 O ATOM 1010 CB LEU A 64 6.812 -1.648 -0.439 1.00 65.11 C ATOM 1011 CG LEU A 64 7.051 -0.177 -0.839 1.00 43.41 C ATOM 1012 CD1 LEU A 64 8.231 0.501 -0.132 1.00 43.44 C ATOM 1013 CD2 LEU A 64 7.347 -0.108 -2.334 1.00 32.22 C ATOM 0 H LEU A 64 5.651 -3.605 1.399 1.00 11.13 H new ATOM 0 HA LEU A 64 7.807 -1.578 1.432 1.00 52.51 H new ATOM 0 HB2 LEU A 64 7.571 -2.267 -0.918 1.00 65.11 H new ATOM 0 HB3 LEU A 64 5.847 -1.964 -0.834 1.00 65.11 H new ATOM 0 HG LEU A 64 6.141 0.347 -0.547 1.00 43.41 H new ATOM 0 HD11 LEU A 64 8.319 1.531 -0.478 1.00 43.44 H new ATOM 0 HD12 LEU A 64 8.063 0.493 0.945 1.00 43.44 H new ATOM 0 HD13 LEU A 64 9.150 -0.038 -0.360 1.00 43.44 H new ATOM 0 HD21 LEU A 64 7.517 0.929 -2.624 1.00 32.22 H new ATOM 0 HD22 LEU A 64 8.237 -0.697 -2.556 1.00 32.22 H new ATOM 0 HD23 LEU A 64 6.499 -0.506 -2.892 1.00 32.22 H new ATOM 1025 N ALA A 65 6.087 -0.462 2.876 1.00 61.22 N ATOM 1026 CA ALA A 65 5.163 0.406 3.580 1.00 72.15 C ATOM 1027 C ALA A 65 4.892 1.623 2.698 1.00 44.35 C ATOM 1028 O ALA A 65 5.835 2.152 2.106 1.00 60.42 O ATOM 1029 CB ALA A 65 5.808 0.849 4.888 1.00 35.05 C ATOM 0 H ALA A 65 7.029 -0.464 3.266 1.00 61.22 H new ATOM 0 HA ALA A 65 4.228 -0.111 3.797 1.00 72.15 H new ATOM 0 HB1 ALA A 65 5.123 1.503 5.428 1.00 35.05 H new ATOM 0 HB2 ALA A 65 6.031 -0.026 5.498 1.00 35.05 H new ATOM 0 HB3 ALA A 65 6.731 1.387 4.674 1.00 35.05 H new ATOM 1035 N VAL A 66 3.643 2.085 2.638 1.00 50.30 N ATOM 1036 CA VAL A 66 3.235 3.309 1.954 1.00 20.41 C ATOM 1037 C VAL A 66 2.361 4.086 2.943 1.00 21.32 C ATOM 1038 O VAL A 66 1.383 3.543 3.459 1.00 20.22 O ATOM 1039 CB VAL A 66 2.593 3.044 0.581 1.00 61.34 C ATOM 1040 CG1 VAL A 66 2.173 4.360 -0.096 1.00 14.11 C ATOM 1041 CG2 VAL A 66 3.640 2.364 -0.319 1.00 14.01 C ATOM 0 H VAL A 66 2.862 1.600 3.080 1.00 50.30 H new ATOM 0 HA VAL A 66 4.096 3.920 1.684 1.00 20.41 H new ATOM 0 HB VAL A 66 1.712 2.418 0.723 1.00 61.34 H new ATOM 0 HG11 VAL A 66 1.722 4.143 -1.064 1.00 14.11 H new ATOM 0 HG12 VAL A 66 1.449 4.878 0.533 1.00 14.11 H new ATOM 0 HG13 VAL A 66 3.049 4.992 -0.237 1.00 14.11 H new ATOM 0 HG21 VAL A 66 3.205 2.167 -1.299 1.00 14.01 H new ATOM 0 HG22 VAL A 66 4.504 3.019 -0.431 1.00 14.01 H new ATOM 0 HG23 VAL A 66 3.954 1.424 0.134 1.00 14.01 H new ATOM 1051 N ASP A 67 2.768 5.304 3.302 1.00 54.44 N ATOM 1052 CA ASP A 67 2.015 6.181 4.204 1.00 75.13 C ATOM 1053 C ASP A 67 0.912 6.876 3.407 1.00 4.55 C ATOM 1054 O ASP A 67 1.155 7.373 2.302 1.00 22.14 O ATOM 1055 CB ASP A 67 2.929 7.235 4.831 1.00 43.45 C ATOM 1056 CG ASP A 67 2.328 7.815 6.104 1.00 1.21 C ATOM 1057 OD1 ASP A 67 1.458 8.707 6.009 1.00 41.22 O ATOM 1058 OD2 ASP A 67 2.775 7.401 7.198 1.00 43.44 O ATOM 0 H ASP A 67 3.641 5.716 2.971 1.00 54.44 H new ATOM 0 HA ASP A 67 1.586 5.579 5.005 1.00 75.13 H new ATOM 0 HB2 ASP A 67 3.898 6.789 5.056 1.00 43.45 H new ATOM 0 HB3 ASP A 67 3.106 8.037 4.114 1.00 43.45 H new ATOM 1063 N LEU A 68 -0.305 6.914 3.946 1.00 42.53 N ATOM 1064 CA LEU A 68 -1.471 7.431 3.237 1.00 13.11 C ATOM 1065 C LEU A 68 -1.445 8.956 3.097 1.00 53.13 C ATOM 1066 O LEU A 68 -2.235 9.515 2.333 1.00 61.44 O ATOM 1067 CB LEU A 68 -2.771 6.987 3.931 1.00 61.33 C ATOM 1068 CG LEU A 68 -3.560 5.946 3.131 1.00 71.44 C ATOM 1069 CD1 LEU A 68 -4.700 5.396 3.992 1.00 75.23 C ATOM 1070 CD2 LEU A 68 -4.142 6.535 1.843 1.00 73.43 C ATOM 0 H LEU A 68 -0.510 6.586 4.890 1.00 42.53 H new ATOM 0 HA LEU A 68 -1.437 7.011 2.232 1.00 13.11 H new ATOM 0 HB2 LEU A 68 -2.529 6.575 4.911 1.00 61.33 H new ATOM 0 HB3 LEU A 68 -3.401 7.860 4.099 1.00 61.33 H new ATOM 0 HG LEU A 68 -2.870 5.148 2.855 1.00 71.44 H new ATOM 0 HD11 LEU A 68 -5.261 4.655 3.423 1.00 75.23 H new ATOM 0 HD12 LEU A 68 -4.288 4.930 4.887 1.00 75.23 H new ATOM 0 HD13 LEU A 68 -5.364 6.211 4.281 1.00 75.23 H new ATOM 0 HD21 LEU A 68 -4.694 5.763 1.307 1.00 73.43 H new ATOM 0 HD22 LEU A 68 -4.815 7.356 2.090 1.00 73.43 H new ATOM 0 HD23 LEU A 68 -3.333 6.906 1.214 1.00 73.43 H new ATOM 1082 N LYS A 69 -0.539 9.658 3.786 1.00 20.13 N ATOM 1083 CA LYS A 69 -0.350 11.102 3.604 1.00 20.10 C ATOM 1084 C LYS A 69 -0.031 11.404 2.140 1.00 0.32 C ATOM 1085 O LYS A 69 -0.474 12.423 1.614 1.00 44.33 O ATOM 1086 CB LYS A 69 0.767 11.596 4.539 1.00 14.51 C ATOM 1087 CG LYS A 69 0.589 13.008 5.122 1.00 44.01 C ATOM 1088 CD LYS A 69 0.678 14.186 4.142 1.00 45.44 C ATOM 1089 CE LYS A 69 -0.664 14.655 3.556 1.00 53.55 C ATOM 1090 NZ LYS A 69 -1.520 15.418 4.494 1.00 53.14 N ATOM 0 H LYS A 69 0.081 9.244 4.482 1.00 20.13 H new ATOM 0 HA LYS A 69 -1.267 11.631 3.861 1.00 20.10 H new ATOM 0 HB2 LYS A 69 0.857 10.892 5.367 1.00 14.51 H new ATOM 0 HB3 LYS A 69 1.709 11.567 3.992 1.00 14.51 H new ATOM 0 HG2 LYS A 69 -0.382 13.051 5.615 1.00 44.01 H new ATOM 0 HG3 LYS A 69 1.344 13.153 5.894 1.00 44.01 H new ATOM 0 HD2 LYS A 69 1.147 15.027 4.652 1.00 45.44 H new ATOM 0 HD3 LYS A 69 1.336 13.905 3.320 1.00 45.44 H new ATOM 0 HE2 LYS A 69 -0.466 15.275 2.682 1.00 53.55 H new ATOM 0 HE3 LYS A 69 -1.218 13.782 3.209 1.00 53.55 H new ATOM 0 HZ1 LYS A 69 -2.422 15.649 4.031 1.00 53.14 H new ATOM 0 HZ2 LYS A 69 -1.703 14.845 5.342 1.00 53.14 H new ATOM 0 HZ3 LYS A 69 -1.037 16.297 4.768 1.00 53.14 H new ATOM 1104 N LEU A 70 0.677 10.504 1.450 1.00 31.10 N ATOM 1105 CA LEU A 70 0.950 10.656 0.024 1.00 41.44 C ATOM 1106 C LEU A 70 -0.338 10.822 -0.780 1.00 45.14 C ATOM 1107 O LEU A 70 -0.378 11.677 -1.655 1.00 30.52 O ATOM 1108 CB LEU A 70 1.765 9.479 -0.520 1.00 13.33 C ATOM 1109 CG LEU A 70 1.968 9.532 -2.053 1.00 41.43 C ATOM 1110 CD1 LEU A 70 2.820 10.732 -2.487 1.00 14.04 C ATOM 1111 CD2 LEU A 70 2.666 8.251 -2.486 1.00 11.12 C ATOM 0 H LEU A 70 1.072 9.659 1.862 1.00 31.10 H new ATOM 0 HA LEU A 70 1.542 11.564 -0.089 1.00 41.44 H new ATOM 0 HB2 LEU A 70 2.739 9.464 -0.032 1.00 13.33 H new ATOM 0 HB3 LEU A 70 1.263 8.547 -0.259 1.00 13.33 H new ATOM 0 HG LEU A 70 0.990 9.636 -2.522 1.00 41.43 H new ATOM 0 HD11 LEU A 70 2.933 10.725 -3.571 1.00 14.04 H new ATOM 0 HD12 LEU A 70 2.330 11.656 -2.180 1.00 14.04 H new ATOM 0 HD13 LEU A 70 3.802 10.669 -2.019 1.00 14.04 H new ATOM 0 HD21 LEU A 70 2.819 8.267 -3.565 1.00 11.12 H new ATOM 0 HD22 LEU A 70 3.630 8.174 -1.984 1.00 11.12 H new ATOM 0 HD23 LEU A 70 2.049 7.393 -2.220 1.00 11.12 H new ATOM 1123 N LYS A 71 -1.390 10.049 -0.499 1.00 72.52 N ATOM 1124 CA LYS A 71 -2.634 10.092 -1.278 1.00 1.13 C ATOM 1125 C LYS A 71 -3.263 11.484 -1.238 1.00 25.34 C ATOM 1126 O LYS A 71 -3.961 11.876 -2.167 1.00 64.11 O ATOM 1127 CB LYS A 71 -3.599 9.013 -0.752 1.00 40.11 C ATOM 1128 CG LYS A 71 -4.960 8.903 -1.473 1.00 14.41 C ATOM 1129 CD LYS A 71 -5.198 7.506 -2.062 1.00 3.53 C ATOM 1130 CE LYS A 71 -6.627 7.259 -2.557 1.00 24.11 C ATOM 1131 NZ LYS A 71 -7.050 8.183 -3.619 1.00 12.14 N ATOM 0 H LYS A 71 -1.406 9.379 0.270 1.00 72.52 H new ATOM 0 HA LYS A 71 -2.412 9.881 -2.324 1.00 1.13 H new ATOM 0 HB2 LYS A 71 -3.099 8.046 -0.815 1.00 40.11 H new ATOM 0 HB3 LYS A 71 -3.786 9.207 0.304 1.00 40.11 H new ATOM 0 HG2 LYS A 71 -5.760 9.140 -0.772 1.00 14.41 H new ATOM 0 HG3 LYS A 71 -5.006 9.644 -2.271 1.00 14.41 H new ATOM 0 HD2 LYS A 71 -4.508 7.353 -2.892 1.00 3.53 H new ATOM 0 HD3 LYS A 71 -4.956 6.760 -1.305 1.00 3.53 H new ATOM 0 HE2 LYS A 71 -6.703 6.236 -2.925 1.00 24.11 H new ATOM 0 HE3 LYS A 71 -7.314 7.347 -1.716 1.00 24.11 H new ATOM 0 HZ1 LYS A 71 -8.058 8.409 -3.501 1.00 12.14 H new ATOM 0 HZ2 LYS A 71 -6.490 9.057 -3.562 1.00 12.14 H new ATOM 0 HZ3 LYS A 71 -6.901 7.737 -4.547 1.00 12.14 H new ATOM 1145 N ASP A 72 -2.993 12.263 -0.199 1.00 51.02 N ATOM 1146 CA ASP A 72 -3.503 13.619 -0.095 1.00 22.23 C ATOM 1147 C ASP A 72 -2.821 14.562 -1.089 1.00 23.04 C ATOM 1148 O ASP A 72 -3.457 15.470 -1.614 1.00 32.10 O ATOM 1149 CB ASP A 72 -3.253 14.097 1.325 1.00 20.43 C ATOM 1150 CG ASP A 72 -4.111 15.275 1.749 1.00 32.13 C ATOM 1151 OD1 ASP A 72 -5.126 15.618 1.100 1.00 13.12 O ATOM 1152 OD2 ASP A 72 -3.785 15.801 2.836 1.00 44.34 O ATOM 0 H ASP A 72 -2.417 11.972 0.591 1.00 51.02 H new ATOM 0 HA ASP A 72 -4.567 13.622 -0.332 1.00 22.23 H new ATOM 0 HB2 ASP A 72 -3.430 13.269 2.011 1.00 20.43 H new ATOM 0 HB3 ASP A 72 -2.203 14.374 1.423 1.00 20.43 H new ATOM 1157 N THR A 73 -1.533 14.346 -1.374 1.00 1.43 N ATOM 1158 CA THR A 73 -0.706 15.261 -2.164 1.00 72.14 C ATOM 1159 C THR A 73 -0.424 14.717 -3.574 1.00 13.20 C ATOM 1160 O THR A 73 -0.041 15.462 -4.476 1.00 22.52 O ATOM 1161 CB THR A 73 0.561 15.568 -1.345 1.00 45.12 C ATOM 1162 OG1 THR A 73 1.252 16.716 -1.790 1.00 53.23 O ATOM 1163 CG2 THR A 73 1.555 14.396 -1.288 1.00 23.11 C ATOM 0 H THR A 73 -1.029 13.518 -1.057 1.00 1.43 H new ATOM 0 HA THR A 73 -1.236 16.195 -2.349 1.00 72.14 H new ATOM 0 HB THR A 73 0.174 15.752 -0.343 1.00 45.12 H new ATOM 0 HG1 THR A 73 2.044 16.858 -1.231 1.00 53.23 H new ATOM 0 HG21 THR A 73 2.423 14.684 -0.695 1.00 23.11 H new ATOM 0 HG22 THR A 73 1.073 13.532 -0.830 1.00 23.11 H new ATOM 0 HG23 THR A 73 1.874 14.140 -2.298 1.00 23.11 H new ATOM 1171 N ASN A 74 -0.616 13.417 -3.777 1.00 62.11 N ATOM 1172 CA ASN A 74 -0.642 12.741 -5.056 1.00 54.40 C ATOM 1173 C ASN A 74 -1.497 11.484 -4.891 1.00 12.05 C ATOM 1174 O ASN A 74 -0.966 10.402 -4.618 1.00 23.33 O ATOM 1175 CB ASN A 74 0.761 12.378 -5.552 1.00 22.32 C ATOM 1176 CG ASN A 74 0.667 11.646 -6.887 1.00 43.42 C ATOM 1177 OD1 ASN A 74 -0.372 11.610 -7.539 1.00 1.43 O ATOM 1178 ND2 ASN A 74 1.737 11.008 -7.309 1.00 32.10 N ATOM 0 H ASN A 74 -0.766 12.774 -3.000 1.00 62.11 H new ATOM 0 HA ASN A 74 -1.064 13.407 -5.808 1.00 54.40 H new ATOM 0 HB2 ASN A 74 1.361 13.281 -5.664 1.00 22.32 H new ATOM 0 HB3 ASN A 74 1.264 11.749 -4.817 1.00 22.32 H new ATOM 0 HD21 ASN A 74 1.705 10.481 -8.181 1.00 32.10 H new ATOM 0 HD22 ASN A 74 2.598 11.041 -6.764 1.00 32.10 H new ATOM 1185 N PRO A 75 -2.827 11.591 -5.028 1.00 45.02 N ATOM 1186 CA PRO A 75 -3.683 10.422 -4.969 1.00 24.43 C ATOM 1187 C PRO A 75 -3.410 9.488 -6.135 1.00 70.33 C ATOM 1188 O PRO A 75 -3.577 8.285 -5.984 1.00 40.44 O ATOM 1189 CB PRO A 75 -5.115 10.950 -5.018 1.00 13.21 C ATOM 1190 CG PRO A 75 -4.988 12.307 -5.703 1.00 63.25 C ATOM 1191 CD PRO A 75 -3.605 12.794 -5.278 1.00 10.55 C ATOM 0 HA PRO A 75 -3.502 9.843 -4.063 1.00 24.43 H new ATOM 0 HB2 PRO A 75 -5.768 10.280 -5.578 1.00 13.21 H new ATOM 0 HB3 PRO A 75 -5.539 11.046 -4.018 1.00 13.21 H new ATOM 0 HG2 PRO A 75 -5.067 12.218 -6.787 1.00 63.25 H new ATOM 0 HG3 PRO A 75 -5.771 12.993 -5.382 1.00 63.25 H new ATOM 0 HD2 PRO A 75 -3.147 13.402 -6.058 1.00 10.55 H new ATOM 0 HD3 PRO A 75 -3.665 13.415 -4.384 1.00 10.55 H new ATOM 1199 N GLU A 76 -2.998 10.026 -7.280 1.00 74.10 N ATOM 1200 CA GLU A 76 -2.872 9.316 -8.536 1.00 24.14 C ATOM 1201 C GLU A 76 -1.753 8.277 -8.464 1.00 65.25 C ATOM 1202 O GLU A 76 -1.951 7.113 -8.815 1.00 74.44 O ATOM 1203 CB GLU A 76 -2.625 10.374 -9.618 1.00 41.12 C ATOM 1204 CG GLU A 76 -2.884 9.830 -11.014 1.00 14.12 C ATOM 1205 CD GLU A 76 -2.141 10.644 -12.064 1.00 41.11 C ATOM 1206 OE1 GLU A 76 -2.298 11.886 -12.129 1.00 52.34 O ATOM 1207 OE2 GLU A 76 -1.296 10.059 -12.777 1.00 71.12 O ATOM 0 H GLU A 76 -2.734 11.008 -7.354 1.00 74.10 H new ATOM 0 HA GLU A 76 -3.776 8.754 -8.770 1.00 24.14 H new ATOM 0 HB2 GLU A 76 -3.270 11.234 -9.438 1.00 41.12 H new ATOM 0 HB3 GLU A 76 -1.596 10.728 -9.552 1.00 41.12 H new ATOM 0 HG2 GLU A 76 -2.568 8.788 -11.066 1.00 14.12 H new ATOM 0 HG3 GLU A 76 -3.954 9.850 -11.223 1.00 14.12 H new ATOM 1214 N GLY A 77 -0.589 8.681 -7.953 1.00 52.22 N ATOM 1215 CA GLY A 77 0.524 7.779 -7.720 1.00 45.23 C ATOM 1216 C GLY A 77 0.099 6.661 -6.776 1.00 13.13 C ATOM 1217 O GLY A 77 0.247 5.484 -7.101 1.00 14.14 O ATOM 0 H GLY A 77 -0.398 9.648 -7.690 1.00 52.22 H new ATOM 0 HA2 GLY A 77 0.866 7.358 -8.665 1.00 45.23 H new ATOM 0 HA3 GLY A 77 1.364 8.327 -7.293 1.00 45.23 H new ATOM 1221 N PHE A 78 -0.475 7.017 -5.624 1.00 2.40 N ATOM 1222 CA PHE A 78 -0.954 6.035 -4.658 1.00 44.24 C ATOM 1223 C PHE A 78 -1.950 5.072 -5.319 1.00 4.32 C ATOM 1224 O PHE A 78 -1.835 3.855 -5.180 1.00 63.43 O ATOM 1225 CB PHE A 78 -1.537 6.770 -3.445 1.00 30.13 C ATOM 1226 CG PHE A 78 -1.901 5.860 -2.287 1.00 50.21 C ATOM 1227 CD1 PHE A 78 -3.063 5.067 -2.353 1.00 44.40 C ATOM 1228 CD2 PHE A 78 -1.088 5.812 -1.136 1.00 73.43 C ATOM 1229 CE1 PHE A 78 -3.415 4.241 -1.276 1.00 51.54 C ATOM 1230 CE2 PHE A 78 -1.438 4.974 -0.062 1.00 41.00 C ATOM 1231 CZ PHE A 78 -2.598 4.186 -0.137 1.00 14.33 C ATOM 0 H PHE A 78 -0.618 7.986 -5.340 1.00 2.40 H new ATOM 0 HA PHE A 78 -0.130 5.417 -4.303 1.00 44.24 H new ATOM 0 HB2 PHE A 78 -0.814 7.509 -3.099 1.00 30.13 H new ATOM 0 HB3 PHE A 78 -2.427 7.316 -3.758 1.00 30.13 H new ATOM 0 HD1 PHE A 78 -3.685 5.095 -3.236 1.00 44.40 H new ATOM 0 HD2 PHE A 78 -0.196 6.419 -1.079 1.00 73.43 H new ATOM 0 HE1 PHE A 78 -4.316 3.647 -1.323 1.00 51.54 H new ATOM 0 HE2 PHE A 78 -0.815 4.937 0.820 1.00 41.00 H new ATOM 0 HZ PHE A 78 -2.862 3.536 0.684 1.00 14.33 H new ATOM 1241 N ASN A 79 -2.899 5.610 -6.084 1.00 55.43 N ATOM 1242 CA ASN A 79 -3.937 4.866 -6.790 1.00 11.11 C ATOM 1243 C ASN A 79 -3.322 3.845 -7.753 1.00 32.15 C ATOM 1244 O ASN A 79 -3.860 2.738 -7.866 1.00 64.43 O ATOM 1245 CB ASN A 79 -4.896 5.822 -7.534 1.00 41.32 C ATOM 1246 CG ASN A 79 -5.893 6.555 -6.639 1.00 24.11 C ATOM 1247 OD1 ASN A 79 -6.188 6.129 -5.522 1.00 43.05 O ATOM 1248 ND2 ASN A 79 -6.475 7.653 -7.100 1.00 33.23 N ATOM 0 H ASN A 79 -2.967 6.617 -6.234 1.00 55.43 H new ATOM 0 HA ASN A 79 -4.519 4.319 -6.049 1.00 11.11 H new ATOM 0 HB2 ASN A 79 -4.303 6.560 -8.074 1.00 41.32 H new ATOM 0 HB3 ASN A 79 -5.450 5.251 -8.279 1.00 41.32 H new ATOM 0 HD21 ASN A 79 -7.165 8.142 -6.530 1.00 33.23 H new ATOM 0 HD22 ASN A 79 -6.233 8.009 -8.025 1.00 33.23 H new ATOM 1255 N GLN A 80 -2.208 4.167 -8.428 1.00 13.12 N ATOM 1256 CA GLN A 80 -1.470 3.203 -9.235 1.00 32.44 C ATOM 1257 C GLN A 80 -0.786 2.145 -8.359 1.00 11.35 C ATOM 1258 O GLN A 80 -0.857 0.959 -8.693 1.00 22.12 O ATOM 1259 CB GLN A 80 -0.420 3.897 -10.123 1.00 43.11 C ATOM 1260 CG GLN A 80 -0.996 4.578 -11.372 1.00 54.52 C ATOM 1261 CD GLN A 80 0.102 4.899 -12.391 1.00 10.31 C ATOM 1262 OE1 GLN A 80 0.587 4.041 -13.119 1.00 11.33 O ATOM 1263 NE2 GLN A 80 0.567 6.134 -12.477 1.00 23.44 N ATOM 0 H GLN A 80 -1.800 5.102 -8.425 1.00 13.12 H new ATOM 0 HA GLN A 80 -2.198 2.708 -9.877 1.00 32.44 H new ATOM 0 HB2 GLN A 80 0.106 4.643 -9.527 1.00 43.11 H new ATOM 0 HB3 GLN A 80 0.319 3.159 -10.435 1.00 43.11 H new ATOM 0 HG2 GLN A 80 -1.742 3.929 -11.831 1.00 54.52 H new ATOM 0 HG3 GLN A 80 -1.507 5.497 -11.084 1.00 54.52 H new ATOM 0 HE21 GLN A 80 0.181 6.867 -11.882 1.00 23.44 H new ATOM 0 HE22 GLN A 80 1.312 6.354 -13.138 1.00 23.44 H new ATOM 1272 N LEU A 81 -0.147 2.549 -7.251 1.00 75.02 N ATOM 1273 CA LEU A 81 0.577 1.646 -6.350 1.00 4.12 C ATOM 1274 C LEU A 81 -0.337 0.528 -5.852 1.00 43.23 C ATOM 1275 O LEU A 81 0.076 -0.631 -5.788 1.00 63.33 O ATOM 1276 CB LEU A 81 1.160 2.412 -5.139 1.00 14.22 C ATOM 1277 CG LEU A 81 2.539 1.862 -4.698 1.00 53.13 C ATOM 1278 CD1 LEU A 81 3.632 2.925 -4.526 1.00 63.03 C ATOM 1279 CD2 LEU A 81 2.454 1.118 -3.368 1.00 62.31 C ATOM 0 H LEU A 81 -0.119 3.524 -6.954 1.00 75.02 H new ATOM 0 HA LEU A 81 1.399 1.211 -6.918 1.00 4.12 H new ATOM 0 HB2 LEU A 81 1.258 3.467 -5.393 1.00 14.22 H new ATOM 0 HB3 LEU A 81 0.463 2.349 -4.303 1.00 14.22 H new ATOM 0 HG LEU A 81 2.814 1.202 -5.521 1.00 53.13 H new ATOM 0 HD11 LEU A 81 4.560 2.445 -4.216 1.00 63.03 H new ATOM 0 HD12 LEU A 81 3.789 3.442 -5.473 1.00 63.03 H new ATOM 0 HD13 LEU A 81 3.324 3.644 -3.767 1.00 63.03 H new ATOM 0 HD21 LEU A 81 3.442 0.748 -3.094 1.00 62.31 H new ATOM 0 HD22 LEU A 81 2.093 1.796 -2.594 1.00 62.31 H new ATOM 0 HD23 LEU A 81 1.766 0.278 -3.464 1.00 62.31 H new ATOM 1291 N MET A 82 -1.583 0.879 -5.522 1.00 20.55 N ATOM 1292 CA MET A 82 -2.587 -0.078 -5.070 1.00 51.14 C ATOM 1293 C MET A 82 -2.837 -1.149 -6.130 1.00 14.15 C ATOM 1294 O MET A 82 -2.851 -2.340 -5.823 1.00 43.21 O ATOM 1295 CB MET A 82 -3.920 0.619 -4.737 1.00 21.23 C ATOM 1296 CG MET A 82 -3.832 1.604 -3.571 1.00 13.12 C ATOM 1297 SD MET A 82 -3.048 0.967 -2.079 1.00 24.43 S ATOM 1298 CE MET A 82 -4.243 -0.271 -1.524 1.00 3.23 C ATOM 0 H MET A 82 -1.922 1.840 -5.562 1.00 20.55 H new ATOM 0 HA MET A 82 -2.196 -0.545 -4.166 1.00 51.14 H new ATOM 0 HB2 MET A 82 -4.272 1.150 -5.622 1.00 21.23 H new ATOM 0 HB3 MET A 82 -4.666 -0.140 -4.503 1.00 21.23 H new ATOM 0 HG2 MET A 82 -3.282 2.485 -3.902 1.00 13.12 H new ATOM 0 HG3 MET A 82 -4.840 1.934 -3.319 1.00 13.12 H new ATOM 0 HE1 MET A 82 -3.945 -0.653 -0.548 1.00 3.23 H new ATOM 0 HE2 MET A 82 -5.231 0.184 -1.449 1.00 3.23 H new ATOM 0 HE3 MET A 82 -4.275 -1.092 -2.240 1.00 3.23 H new ATOM 1308 N HIS A 83 -3.094 -0.734 -7.370 1.00 22.40 N ATOM 1309 CA HIS A 83 -3.474 -1.615 -8.465 1.00 32.23 C ATOM 1310 C HIS A 83 -2.374 -2.627 -8.786 1.00 53.23 C ATOM 1311 O HIS A 83 -2.665 -3.810 -8.956 1.00 72.34 O ATOM 1312 CB HIS A 83 -3.768 -0.734 -9.678 1.00 12.22 C ATOM 1313 CG HIS A 83 -4.134 -1.508 -10.913 1.00 34.54 C ATOM 1314 ND1 HIS A 83 -3.736 -1.217 -12.196 1.00 4.51 N ATOM 1315 CD2 HIS A 83 -4.808 -2.697 -10.942 1.00 61.11 C ATOM 1316 CE1 HIS A 83 -4.165 -2.215 -12.985 1.00 30.20 C ATOM 1317 NE2 HIS A 83 -4.847 -3.129 -12.268 1.00 74.51 N ATOM 0 H HIS A 83 -3.042 0.247 -7.644 1.00 22.40 H new ATOM 0 HA HIS A 83 -4.353 -2.195 -8.184 1.00 32.23 H new ATOM 0 HB2 HIS A 83 -4.583 -0.053 -9.432 1.00 12.22 H new ATOM 0 HB3 HIS A 83 -2.893 -0.120 -9.891 1.00 12.22 H new ATOM 0 HD2 HIS A 83 -5.233 -3.209 -10.092 1.00 61.11 H new ATOM 0 HE1 HIS A 83 -3.988 -2.277 -14.049 1.00 30.20 H new ATOM 0 HE2 HIS A 83 -5.302 -3.970 -12.624 1.00 74.51 H new ATOM 1325 N PHE A 84 -1.123 -2.163 -8.814 1.00 41.22 N ATOM 1326 CA PHE A 84 0.062 -2.983 -9.050 1.00 63.54 C ATOM 1327 C PHE A 84 0.071 -4.221 -8.146 1.00 70.22 C ATOM 1328 O PHE A 84 0.491 -5.296 -8.576 1.00 63.24 O ATOM 1329 CB PHE A 84 1.297 -2.097 -8.828 1.00 73.31 C ATOM 1330 CG PHE A 84 2.654 -2.777 -8.742 1.00 22.12 C ATOM 1331 CD1 PHE A 84 3.049 -3.429 -7.556 1.00 4.53 C ATOM 1332 CD2 PHE A 84 3.586 -2.629 -9.785 1.00 73.03 C ATOM 1333 CE1 PHE A 84 4.379 -3.841 -7.375 1.00 62.23 C ATOM 1334 CE2 PHE A 84 4.908 -3.077 -9.623 1.00 34.52 C ATOM 1335 CZ PHE A 84 5.315 -3.653 -8.408 1.00 1.24 C ATOM 0 H PHE A 84 -0.903 -1.178 -8.669 1.00 41.22 H new ATOM 0 HA PHE A 84 0.064 -3.361 -10.073 1.00 63.54 H new ATOM 0 HB2 PHE A 84 1.338 -1.371 -9.640 1.00 73.31 H new ATOM 0 HB3 PHE A 84 1.145 -1.536 -7.906 1.00 73.31 H new ATOM 0 HD1 PHE A 84 2.322 -3.613 -6.779 1.00 4.53 H new ATOM 0 HD2 PHE A 84 3.284 -2.169 -10.714 1.00 73.03 H new ATOM 0 HE1 PHE A 84 4.682 -4.301 -6.446 1.00 62.23 H new ATOM 0 HE2 PHE A 84 5.613 -2.978 -10.435 1.00 34.52 H new ATOM 0 HZ PHE A 84 6.344 -3.951 -8.268 1.00 1.24 H new ATOM 1345 N ALA A 85 -0.395 -4.098 -6.897 1.00 72.32 N ATOM 1346 CA ALA A 85 -0.475 -5.240 -5.998 1.00 55.34 C ATOM 1347 C ALA A 85 -1.392 -6.328 -6.572 1.00 4.45 C ATOM 1348 O ALA A 85 -0.960 -7.476 -6.670 1.00 74.12 O ATOM 1349 CB ALA A 85 -0.928 -4.795 -4.609 1.00 24.13 C ATOM 0 H ALA A 85 -0.720 -3.219 -6.493 1.00 72.32 H new ATOM 0 HA ALA A 85 0.520 -5.675 -5.901 1.00 55.34 H new ATOM 0 HB1 ALA A 85 -0.983 -5.661 -3.949 1.00 24.13 H new ATOM 0 HB2 ALA A 85 -0.214 -4.076 -4.206 1.00 24.13 H new ATOM 0 HB3 ALA A 85 -1.911 -4.330 -4.679 1.00 24.13 H new ATOM 1355 N THR A 86 -2.619 -5.982 -6.979 1.00 23.13 N ATOM 1356 CA THR A 86 -3.559 -6.943 -7.546 1.00 33.23 C ATOM 1357 C THR A 86 -2.972 -7.594 -8.802 1.00 52.01 C ATOM 1358 O THR A 86 -3.041 -8.816 -8.938 1.00 44.43 O ATOM 1359 CB THR A 86 -4.912 -6.286 -7.875 1.00 44.14 C ATOM 1360 OG1 THR A 86 -5.395 -5.431 -6.857 1.00 22.55 O ATOM 1361 CG2 THR A 86 -5.975 -7.368 -8.094 1.00 2.41 C ATOM 0 H THR A 86 -2.983 -5.031 -6.923 1.00 23.13 H new ATOM 0 HA THR A 86 -3.732 -7.713 -6.794 1.00 33.23 H new ATOM 0 HB THR A 86 -4.735 -5.688 -8.769 1.00 44.14 H new ATOM 0 HG1 THR A 86 -6.254 -5.048 -7.132 1.00 22.55 H new ATOM 0 HG21 THR A 86 -6.930 -6.898 -8.326 1.00 2.41 H new ATOM 0 HG22 THR A 86 -5.675 -8.010 -8.922 1.00 2.41 H new ATOM 0 HG23 THR A 86 -6.076 -7.967 -7.189 1.00 2.41 H new ATOM 1369 N GLU A 87 -2.345 -6.811 -9.685 1.00 64.22 N ATOM 1370 CA GLU A 87 -1.763 -7.302 -10.931 1.00 22.23 C ATOM 1371 C GLU A 87 -0.655 -8.331 -10.715 1.00 22.21 C ATOM 1372 O GLU A 87 -0.331 -9.098 -11.621 1.00 52.24 O ATOM 1373 CB GLU A 87 -1.161 -6.121 -11.685 1.00 54.20 C ATOM 1374 CG GLU A 87 -2.190 -5.366 -12.509 1.00 50.44 C ATOM 1375 CD GLU A 87 -1.448 -4.451 -13.472 1.00 31.43 C ATOM 1376 OE1 GLU A 87 -0.833 -3.454 -13.032 1.00 12.22 O ATOM 1377 OE2 GLU A 87 -1.412 -4.734 -14.686 1.00 62.01 O ATOM 0 H GLU A 87 -2.228 -5.807 -9.550 1.00 64.22 H new ATOM 0 HA GLU A 87 -2.565 -7.788 -11.487 1.00 22.23 H new ATOM 0 HB2 GLU A 87 -0.700 -5.437 -10.972 1.00 54.20 H new ATOM 0 HB3 GLU A 87 -0.368 -6.480 -12.341 1.00 54.20 H new ATOM 0 HG2 GLU A 87 -2.823 -6.063 -13.058 1.00 50.44 H new ATOM 0 HG3 GLU A 87 -2.845 -4.784 -11.860 1.00 50.44 H new ATOM 1384 N ASN A 88 -0.052 -8.353 -9.528 1.00 74.13 N ATOM 1385 CA ASN A 88 0.999 -9.296 -9.169 1.00 44.43 C ATOM 1386 C ASN A 88 0.485 -10.295 -8.129 1.00 21.32 C ATOM 1387 O ASN A 88 1.254 -11.142 -7.665 1.00 2.31 O ATOM 1388 CB ASN A 88 2.252 -8.521 -8.738 1.00 45.44 C ATOM 1389 CG ASN A 88 2.857 -7.776 -9.923 1.00 54.42 C ATOM 1390 OD1 ASN A 88 3.716 -8.294 -10.632 1.00 23.11 O ATOM 1391 ND2 ASN A 88 2.440 -6.548 -10.173 1.00 3.22 N ATOM 0 H ASN A 88 -0.286 -7.703 -8.777 1.00 74.13 H new ATOM 0 HA ASN A 88 1.289 -9.898 -10.030 1.00 44.43 H new ATOM 0 HB2 ASN A 88 1.995 -7.814 -7.950 1.00 45.44 H new ATOM 0 HB3 ASN A 88 2.987 -9.210 -8.321 1.00 45.44 H new ATOM 0 HD21 ASN A 88 2.831 -6.026 -10.957 1.00 3.22 H new ATOM 0 HD22 ASN A 88 1.727 -6.121 -9.582 1.00 3.22 H new ATOM 1398 N GLN A 89 -0.816 -10.232 -7.809 1.00 74.22 N ATOM 1399 CA GLN A 89 -1.564 -11.017 -6.829 1.00 2.43 C ATOM 1400 C GLN A 89 -0.943 -10.927 -5.425 1.00 13.45 C ATOM 1401 O GLN A 89 -1.077 -11.845 -4.606 1.00 65.24 O ATOM 1402 CB GLN A 89 -1.760 -12.448 -7.356 1.00 4.01 C ATOM 1403 CG GLN A 89 -2.530 -12.527 -8.690 1.00 4.23 C ATOM 1404 CD GLN A 89 -4.045 -12.373 -8.538 1.00 10.40 C ATOM 1405 OE1 GLN A 89 -4.735 -13.336 -8.212 1.00 35.13 O ATOM 1406 NE2 GLN A 89 -4.592 -11.188 -8.759 1.00 55.25 N ATOM 0 H GLN A 89 -1.426 -9.563 -8.279 1.00 74.22 H new ATOM 0 HA GLN A 89 -2.560 -10.593 -6.702 1.00 2.43 H new ATOM 0 HB2 GLN A 89 -0.783 -12.914 -7.485 1.00 4.01 H new ATOM 0 HB3 GLN A 89 -2.294 -13.030 -6.605 1.00 4.01 H new ATOM 0 HG2 GLN A 89 -2.160 -11.750 -9.359 1.00 4.23 H new ATOM 0 HG3 GLN A 89 -2.317 -13.484 -9.166 1.00 4.23 H new ATOM 0 HE21 GLN A 89 -4.006 -10.398 -9.029 1.00 55.25 H new ATOM 0 HE22 GLN A 89 -5.600 -11.065 -8.659 1.00 55.25 H new ATOM 1415 N LEU A 90 -0.253 -9.820 -5.146 1.00 5.05 N ATOM 1416 CA LEU A 90 0.398 -9.529 -3.879 1.00 14.53 C ATOM 1417 C LEU A 90 -0.656 -9.256 -2.813 1.00 75.21 C ATOM 1418 O LEU A 90 -1.713 -8.694 -3.104 1.00 23.11 O ATOM 1419 CB LEU A 90 1.333 -8.317 -4.029 1.00 45.34 C ATOM 1420 CG LEU A 90 2.542 -8.586 -4.945 1.00 52.23 C ATOM 1421 CD1 LEU A 90 3.386 -7.322 -5.142 1.00 24.21 C ATOM 1422 CD2 LEU A 90 3.437 -9.703 -4.400 1.00 0.20 C ATOM 0 H LEU A 90 -0.131 -9.073 -5.830 1.00 5.05 H new ATOM 0 HA LEU A 90 0.995 -10.390 -3.577 1.00 14.53 H new ATOM 0 HB2 LEU A 90 0.765 -7.476 -4.427 1.00 45.34 H new ATOM 0 HB3 LEU A 90 1.692 -8.021 -3.044 1.00 45.34 H new ATOM 0 HG LEU A 90 2.133 -8.901 -5.905 1.00 52.23 H new ATOM 0 HD11 LEU A 90 4.231 -7.546 -5.793 1.00 24.21 H new ATOM 0 HD12 LEU A 90 2.774 -6.543 -5.597 1.00 24.21 H new ATOM 0 HD13 LEU A 90 3.754 -6.976 -4.176 1.00 24.21 H new ATOM 0 HD21 LEU A 90 4.277 -9.859 -5.077 1.00 0.20 H new ATOM 0 HD22 LEU A 90 3.812 -9.421 -3.416 1.00 0.20 H new ATOM 0 HD23 LEU A 90 2.860 -10.624 -4.319 1.00 0.20 H new ATOM 1434 N ASN A 91 -0.367 -9.669 -1.580 1.00 43.20 N ATOM 1435 CA ASN A 91 -1.260 -9.465 -0.445 1.00 3.14 C ATOM 1436 C ASN A 91 -1.176 -7.999 -0.029 1.00 73.21 C ATOM 1437 O ASN A 91 -0.079 -7.515 0.255 1.00 13.35 O ATOM 1438 CB ASN A 91 -0.872 -10.405 0.711 1.00 32.23 C ATOM 1439 CG ASN A 91 -2.061 -10.834 1.565 1.00 41.13 C ATOM 1440 OD1 ASN A 91 -3.219 -10.534 1.281 1.00 10.24 O ATOM 1441 ND2 ASN A 91 -1.800 -11.638 2.577 1.00 23.12 N ATOM 0 H ASN A 91 0.497 -10.156 -1.341 1.00 43.20 H new ATOM 0 HA ASN A 91 -2.288 -9.700 -0.719 1.00 3.14 H new ATOM 0 HB2 ASN A 91 -0.388 -11.292 0.302 1.00 32.23 H new ATOM 0 HB3 ASN A 91 -0.139 -9.906 1.345 1.00 32.23 H new ATOM 0 HD21 ASN A 91 -2.564 -12.019 3.135 1.00 23.12 H new ATOM 0 HD22 ASN A 91 -0.834 -11.879 2.801 1.00 23.12 H new ATOM 1448 N ILE A 92 -2.291 -7.272 -0.026 1.00 53.02 N ATOM 1449 CA ILE A 92 -2.328 -5.881 0.403 1.00 64.31 C ATOM 1450 C ILE A 92 -2.623 -5.968 1.886 1.00 14.52 C ATOM 1451 O ILE A 92 -3.685 -6.470 2.252 1.00 43.20 O ATOM 1452 CB ILE A 92 -3.416 -5.079 -0.347 1.00 1.12 C ATOM 1453 CG1 ILE A 92 -3.197 -5.183 -1.872 1.00 73.31 C ATOM 1454 CG2 ILE A 92 -3.396 -3.605 0.113 1.00 22.34 C ATOM 1455 CD1 ILE A 92 -4.251 -4.451 -2.706 1.00 33.35 C ATOM 0 H ILE A 92 -3.197 -7.635 -0.323 1.00 53.02 H new ATOM 0 HA ILE A 92 -1.397 -5.355 0.191 1.00 64.31 H new ATOM 0 HB ILE A 92 -4.395 -5.499 -0.114 1.00 1.12 H new ATOM 0 HG12 ILE A 92 -2.213 -4.781 -2.115 1.00 73.31 H new ATOM 0 HG13 ILE A 92 -3.191 -6.235 -2.156 1.00 73.31 H new ATOM 0 HG21 ILE A 92 -4.166 -3.047 -0.420 1.00 22.34 H new ATOM 0 HG22 ILE A 92 -3.589 -3.556 1.185 1.00 22.34 H new ATOM 0 HG23 ILE A 92 -2.419 -3.171 -0.100 1.00 22.34 H new ATOM 0 HD11 ILE A 92 -4.025 -4.573 -3.765 1.00 33.35 H new ATOM 0 HD12 ILE A 92 -5.236 -4.867 -2.495 1.00 33.35 H new ATOM 0 HD13 ILE A 92 -4.243 -3.391 -2.453 1.00 33.35 H new ATOM 1467 N LEU A 93 -1.691 -5.550 2.737 1.00 74.14 N ATOM 1468 CA LEU A 93 -1.940 -5.433 4.146 1.00 73.22 C ATOM 1469 C LEU A 93 -2.130 -3.972 4.519 1.00 71.43 C ATOM 1470 O LEU A 93 -1.860 -3.056 3.735 1.00 73.11 O ATOM 1471 CB LEU A 93 -0.794 -6.011 4.973 1.00 43.11 C ATOM 1472 CG LEU A 93 -0.327 -7.416 4.619 1.00 1.22 C ATOM 1473 CD1 LEU A 93 0.787 -7.876 5.564 1.00 44.10 C ATOM 1474 CD2 LEU A 93 -1.426 -8.476 4.537 1.00 44.25 C ATOM 0 H LEU A 93 -0.746 -5.286 2.457 1.00 74.14 H new ATOM 0 HA LEU A 93 -2.844 -6.000 4.366 1.00 73.22 H new ATOM 0 HB2 LEU A 93 0.059 -5.338 4.886 1.00 43.11 H new ATOM 0 HB3 LEU A 93 -1.097 -6.008 6.020 1.00 43.11 H new ATOM 0 HG LEU A 93 0.054 -7.326 3.602 1.00 1.22 H new ATOM 0 HD11 LEU A 93 1.104 -8.883 5.291 1.00 44.10 H new ATOM 0 HD12 LEU A 93 1.635 -7.195 5.486 1.00 44.10 H new ATOM 0 HD13 LEU A 93 0.417 -7.878 6.589 1.00 44.10 H new ATOM 0 HD21 LEU A 93 -0.985 -9.439 4.279 1.00 44.25 H new ATOM 0 HD22 LEU A 93 -1.929 -8.554 5.501 1.00 44.25 H new ATOM 0 HD23 LEU A 93 -2.149 -8.192 3.773 1.00 44.25 H new ATOM 1486 N ASP A 94 -2.528 -3.785 5.764 1.00 62.51 N ATOM 1487 CA ASP A 94 -2.556 -2.490 6.435 1.00 61.32 C ATOM 1488 C ASP A 94 -1.282 -2.328 7.268 1.00 30.23 C ATOM 1489 O ASP A 94 -0.363 -3.146 7.197 1.00 24.13 O ATOM 1490 CB ASP A 94 -3.796 -2.304 7.323 1.00 52.44 C ATOM 1491 CG ASP A 94 -3.649 -2.844 8.738 1.00 1.44 C ATOM 1492 OD1 ASP A 94 -3.318 -4.033 8.918 1.00 12.05 O ATOM 1493 OD2 ASP A 94 -3.743 -2.029 9.686 1.00 30.22 O ATOM 0 H ASP A 94 -2.851 -4.550 6.357 1.00 62.51 H new ATOM 0 HA ASP A 94 -2.608 -1.721 5.664 1.00 61.32 H new ATOM 0 HB2 ASP A 94 -4.032 -1.241 7.377 1.00 52.44 H new ATOM 0 HB3 ASP A 94 -4.645 -2.795 6.847 1.00 52.44 H new ATOM 1498 N ALA A 95 -1.233 -1.267 8.075 1.00 14.12 N ATOM 1499 CA ALA A 95 -0.125 -0.988 8.977 1.00 71.30 C ATOM 1500 C ALA A 95 0.076 -2.076 10.043 1.00 3.22 C ATOM 1501 O ALA A 95 1.199 -2.234 10.537 1.00 72.25 O ATOM 1502 CB ALA A 95 -0.329 0.356 9.682 1.00 42.32 C ATOM 0 H ALA A 95 -1.976 -0.569 8.118 1.00 14.12 H new ATOM 0 HA ALA A 95 0.768 -0.962 8.352 1.00 71.30 H new ATOM 0 HB1 ALA A 95 0.510 0.546 10.352 1.00 42.32 H new ATOM 0 HB2 ALA A 95 -0.388 1.151 8.939 1.00 42.32 H new ATOM 0 HB3 ALA A 95 -1.254 0.328 10.258 1.00 42.32 H new ATOM 1508 N GLU A 96 -0.981 -2.785 10.450 1.00 70.52 N ATOM 1509 CA GLU A 96 -0.881 -3.879 11.407 1.00 34.43 C ATOM 1510 C GLU A 96 -0.449 -5.194 10.749 1.00 25.11 C ATOM 1511 O GLU A 96 0.197 -6.020 11.404 1.00 31.33 O ATOM 1512 CB GLU A 96 -2.210 -4.126 12.124 1.00 65.21 C ATOM 1513 CG GLU A 96 -2.625 -3.023 13.098 1.00 52.31 C ATOM 1514 CD GLU A 96 -3.825 -3.411 13.971 1.00 10.11 C ATOM 1515 OE1 GLU A 96 -4.422 -4.494 13.778 1.00 0.24 O ATOM 1516 OE2 GLU A 96 -4.139 -2.608 14.887 1.00 22.22 O ATOM 0 H GLU A 96 -1.931 -2.612 10.121 1.00 70.52 H new ATOM 0 HA GLU A 96 -0.121 -3.567 12.123 1.00 34.43 H new ATOM 0 HB2 GLU A 96 -2.994 -4.245 11.376 1.00 65.21 H new ATOM 0 HB3 GLU A 96 -2.144 -5.067 12.669 1.00 65.21 H new ATOM 0 HG2 GLU A 96 -1.780 -2.778 13.741 1.00 52.31 H new ATOM 0 HG3 GLU A 96 -2.869 -2.122 12.535 1.00 52.31 H new ATOM 1523 N GLY A 97 -0.811 -5.393 9.482 1.00 64.11 N ATOM 1524 CA GLY A 97 -0.570 -6.607 8.715 1.00 31.22 C ATOM 1525 C GLY A 97 -1.853 -7.394 8.409 1.00 21.52 C ATOM 1526 O GLY A 97 -1.765 -8.554 8.004 1.00 53.53 O ATOM 0 H GLY A 97 -1.301 -4.680 8.942 1.00 64.11 H new ATOM 0 HA2 GLY A 97 -0.080 -6.345 7.777 1.00 31.22 H new ATOM 0 HA3 GLY A 97 0.118 -7.247 9.267 1.00 31.22 H new ATOM 1530 N ASN A 98 -3.032 -6.803 8.616 1.00 13.25 N ATOM 1531 CA ASN A 98 -4.337 -7.350 8.238 1.00 3.04 C ATOM 1532 C ASN A 98 -4.481 -7.243 6.724 1.00 64.32 C ATOM 1533 O ASN A 98 -4.152 -6.190 6.186 1.00 10.33 O ATOM 1534 CB ASN A 98 -5.450 -6.513 8.885 1.00 42.13 C ATOM 1535 CG ASN A 98 -5.347 -6.454 10.400 1.00 62.40 C ATOM 1536 OD1 ASN A 98 -5.437 -7.480 11.070 1.00 0.45 O ATOM 1537 ND2 ASN A 98 -5.188 -5.279 10.979 1.00 73.50 N ATOM 0 H ASN A 98 -3.106 -5.893 9.070 1.00 13.25 H new ATOM 0 HA ASN A 98 -4.412 -8.387 8.567 1.00 3.04 H new ATOM 0 HB2 ASN A 98 -5.414 -5.500 8.485 1.00 42.13 H new ATOM 0 HB3 ASN A 98 -6.418 -6.931 8.609 1.00 42.13 H new ATOM 0 HD21 ASN A 98 -5.138 -5.214 11.996 1.00 73.50 H new ATOM 0 HD22 ASN A 98 -5.115 -4.436 10.410 1.00 73.50 H new ATOM 1544 N SER A 99 -4.956 -8.281 6.032 1.00 2.02 N ATOM 1545 CA SER A 99 -5.013 -8.322 4.573 1.00 4.33 C ATOM 1546 C SER A 99 -6.273 -7.638 4.027 1.00 52.22 C ATOM 1547 O SER A 99 -7.303 -8.278 3.772 1.00 20.40 O ATOM 1548 CB SER A 99 -4.810 -9.751 4.062 1.00 33.43 C ATOM 1549 OG SER A 99 -5.448 -10.737 4.855 1.00 52.34 O ATOM 0 H SER A 99 -5.316 -9.126 6.476 1.00 2.02 H new ATOM 0 HA SER A 99 -4.183 -7.735 4.178 1.00 4.33 H new ATOM 0 HB2 SER A 99 -5.187 -9.819 3.041 1.00 33.43 H new ATOM 0 HB3 SER A 99 -3.742 -9.965 4.023 1.00 33.43 H new ATOM 0 HG SER A 99 -5.280 -11.624 4.473 1.00 52.34 H new ATOM 1555 N ILE A 100 -6.189 -6.324 3.839 1.00 1.34 N ATOM 1556 CA ILE A 100 -7.299 -5.448 3.483 1.00 23.43 C ATOM 1557 C ILE A 100 -7.579 -5.462 1.974 1.00 31.11 C ATOM 1558 O ILE A 100 -6.778 -5.940 1.172 1.00 51.03 O ATOM 1559 CB ILE A 100 -7.034 -4.030 4.043 1.00 23.14 C ATOM 1560 CG1 ILE A 100 -5.686 -3.426 3.591 1.00 55.22 C ATOM 1561 CG2 ILE A 100 -7.092 -4.044 5.580 1.00 31.51 C ATOM 1562 CD1 ILE A 100 -5.541 -1.955 3.977 1.00 24.34 C ATOM 0 H ILE A 100 -5.307 -5.820 3.935 1.00 1.34 H new ATOM 0 HA ILE A 100 -8.214 -5.822 3.943 1.00 23.43 H new ATOM 0 HB ILE A 100 -7.821 -3.396 3.634 1.00 23.14 H new ATOM 0 HG12 ILE A 100 -4.870 -3.996 4.035 1.00 55.22 H new ATOM 0 HG13 ILE A 100 -5.593 -3.525 2.510 1.00 55.22 H new ATOM 0 HG21 ILE A 100 -6.904 -3.040 5.960 1.00 31.51 H new ATOM 0 HG22 ILE A 100 -8.078 -4.376 5.904 1.00 31.51 H new ATOM 0 HG23 ILE A 100 -6.335 -4.726 5.966 1.00 31.51 H new ATOM 0 HD11 ILE A 100 -4.576 -1.582 3.635 1.00 24.34 H new ATOM 0 HD12 ILE A 100 -6.339 -1.376 3.512 1.00 24.34 H new ATOM 0 HD13 ILE A 100 -5.605 -1.855 5.061 1.00 24.34 H new ATOM 1574 N ASP A 101 -8.757 -4.972 1.575 1.00 43.43 N ATOM 1575 CA ASP A 101 -9.034 -4.634 0.180 1.00 34.41 C ATOM 1576 C ASP A 101 -8.554 -3.207 -0.029 1.00 23.03 C ATOM 1577 O ASP A 101 -8.600 -2.364 0.866 1.00 33.32 O ATOM 1578 CB ASP A 101 -10.532 -4.639 -0.147 1.00 34.42 C ATOM 1579 CG ASP A 101 -11.114 -5.978 -0.611 1.00 65.13 C ATOM 1580 OD1 ASP A 101 -10.822 -6.387 -1.763 1.00 5.33 O ATOM 1581 OD2 ASP A 101 -11.924 -6.567 0.142 1.00 74.42 O ATOM 0 H ASP A 101 -9.539 -4.800 2.207 1.00 43.43 H new ATOM 0 HA ASP A 101 -8.540 -5.372 -0.452 1.00 34.41 H new ATOM 0 HB2 ASP A 101 -11.078 -4.316 0.739 1.00 34.42 H new ATOM 0 HB3 ASP A 101 -10.717 -3.897 -0.924 1.00 34.42 H new ATOM 1586 N ALA A 102 -8.209 -2.901 -1.269 1.00 42.43 N ATOM 1587 CA ALA A 102 -7.751 -1.571 -1.665 1.00 72.54 C ATOM 1588 C ALA A 102 -8.901 -0.567 -1.775 1.00 4.12 C ATOM 1589 O ALA A 102 -8.662 0.646 -1.732 1.00 62.22 O ATOM 1590 CB ALA A 102 -7.003 -1.654 -2.993 1.00 3.21 C ATOM 0 H ALA A 102 -8.238 -3.571 -2.038 1.00 42.43 H new ATOM 0 HA ALA A 102 -7.082 -1.212 -0.884 1.00 72.54 H new ATOM 0 HB1 ALA A 102 -6.664 -0.659 -3.283 1.00 3.21 H new ATOM 0 HB2 ALA A 102 -6.142 -2.313 -2.885 1.00 3.21 H new ATOM 0 HB3 ALA A 102 -7.668 -2.049 -3.761 1.00 3.21 H new ATOM 1596 N ALA A 103 -10.139 -1.048 -1.901 1.00 13.11 N ATOM 1597 CA ALA A 103 -11.328 -0.216 -1.806 1.00 53.14 C ATOM 1598 C ALA A 103 -11.354 0.462 -0.442 1.00 12.01 C ATOM 1599 O ALA A 103 -11.362 1.688 -0.366 1.00 72.01 O ATOM 1600 CB ALA A 103 -12.572 -1.072 -2.049 1.00 35.35 C ATOM 0 H ALA A 103 -10.340 -2.033 -2.073 1.00 13.11 H new ATOM 0 HA ALA A 103 -11.313 0.563 -2.568 1.00 53.14 H new ATOM 0 HB1 ALA A 103 -13.463 -0.448 -1.978 1.00 35.35 H new ATOM 0 HB2 ALA A 103 -12.519 -1.517 -3.043 1.00 35.35 H new ATOM 0 HB3 ALA A 103 -12.622 -1.862 -1.300 1.00 35.35 H new ATOM 1606 N GLN A 104 -11.203 -0.328 0.626 1.00 15.43 N ATOM 1607 CA GLN A 104 -11.224 0.170 1.996 1.00 64.33 C ATOM 1608 C GLN A 104 -10.103 1.184 2.268 1.00 64.13 C ATOM 1609 O GLN A 104 -10.142 1.837 3.309 1.00 62.03 O ATOM 1610 CB GLN A 104 -11.120 -0.991 3.004 1.00 34.24 C ATOM 1611 CG GLN A 104 -12.145 -2.127 2.827 1.00 72.20 C ATOM 1612 CD GLN A 104 -12.898 -2.479 4.114 1.00 44.30 C ATOM 1613 OE1 GLN A 104 -13.546 -1.640 4.742 1.00 20.22 O ATOM 1614 NE2 GLN A 104 -12.877 -3.737 4.528 1.00 62.15 N ATOM 0 H GLN A 104 -11.062 -1.336 0.559 1.00 15.43 H new ATOM 0 HA GLN A 104 -12.178 0.681 2.124 1.00 64.33 H new ATOM 0 HB2 GLN A 104 -10.119 -1.417 2.937 1.00 34.24 H new ATOM 0 HB3 GLN A 104 -11.227 -0.585 4.010 1.00 34.24 H new ATOM 0 HG2 GLN A 104 -12.866 -1.839 2.061 1.00 72.20 H new ATOM 0 HG3 GLN A 104 -11.630 -3.016 2.462 1.00 72.20 H new ATOM 0 HE21 GLN A 104 -12.342 -4.435 4.011 1.00 62.15 H new ATOM 0 HE22 GLN A 104 -13.396 -4.008 5.363 1.00 62.15 H new ATOM 1623 N VAL A 105 -9.100 1.316 1.392 1.00 74.15 N ATOM 1624 CA VAL A 105 -8.000 2.271 1.525 1.00 31.04 C ATOM 1625 C VAL A 105 -8.339 3.538 0.741 1.00 23.02 C ATOM 1626 O VAL A 105 -8.193 4.654 1.241 1.00 21.11 O ATOM 1627 CB VAL A 105 -6.689 1.637 1.011 1.00 41.43 C ATOM 1628 CG1 VAL A 105 -5.481 2.562 1.184 1.00 3.52 C ATOM 1629 CG2 VAL A 105 -6.363 0.337 1.744 1.00 34.23 C ATOM 0 H VAL A 105 -9.032 0.745 0.550 1.00 74.15 H new ATOM 0 HA VAL A 105 -7.860 2.533 2.574 1.00 31.04 H new ATOM 0 HB VAL A 105 -6.865 1.450 -0.048 1.00 41.43 H new ATOM 0 HG11 VAL A 105 -4.586 2.067 0.806 1.00 3.52 H new ATOM 0 HG12 VAL A 105 -5.647 3.485 0.628 1.00 3.52 H new ATOM 0 HG13 VAL A 105 -5.349 2.794 2.241 1.00 3.52 H new ATOM 0 HG21 VAL A 105 -5.434 -0.078 1.353 1.00 34.23 H new ATOM 0 HG22 VAL A 105 -6.251 0.538 2.809 1.00 34.23 H new ATOM 0 HG23 VAL A 105 -7.171 -0.378 1.593 1.00 34.23 H new ATOM 1639 N THR A 106 -8.760 3.377 -0.514 1.00 45.41 N ATOM 1640 CA THR A 106 -8.946 4.489 -1.438 1.00 63.11 C ATOM 1641 C THR A 106 -10.178 5.348 -1.096 1.00 41.30 C ATOM 1642 O THR A 106 -10.357 6.401 -1.702 1.00 21.42 O ATOM 1643 CB THR A 106 -8.916 3.979 -2.898 1.00 32.20 C ATOM 1644 OG1 THR A 106 -9.756 2.856 -3.122 1.00 23.40 O ATOM 1645 CG2 THR A 106 -7.501 3.555 -3.330 1.00 60.04 C ATOM 0 H THR A 106 -8.982 2.467 -0.917 1.00 45.41 H new ATOM 0 HA THR A 106 -8.107 5.176 -1.325 1.00 63.11 H new ATOM 0 HB THR A 106 -9.272 4.828 -3.481 1.00 32.20 H new ATOM 0 HG1 THR A 106 -9.323 2.049 -2.773 1.00 23.40 H new ATOM 0 HG21 THR A 106 -7.525 3.204 -4.361 1.00 60.04 H new ATOM 0 HG22 THR A 106 -6.826 4.408 -3.253 1.00 60.04 H new ATOM 0 HG23 THR A 106 -7.148 2.753 -2.682 1.00 60.04 H new