USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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: B 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 33 GLN : amide:sc= 1 K(o=1,f=-0.098) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 146:sc= 0.728 (180deg=-0.796!) USER MOD Single : A 63 ASN : amide:sc= -3.71 K(o=-3.7,f=-0.62) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 5:sc= -14.9! USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= -0.0485 (180deg=-0.327) USER MOD Single : A 76 MET CE :methyl -135:sc= -0.458 (180deg=-3.46!) USER MOD Single : A 77 GLN : amide:sc= -2.85! C(o=-2.8!,f=-2.6!) USER MOD Single : A 78 THR OG1 : rot -13:sc= 1.26 USER MOD Single : A 81 HIS : no HE2:sc= 0.122 K(o=0.12,f=-5.7!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.0529 X(o=-0.053,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 93 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.061) USER MOD Single : A 96 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-5.5!) USER MOD Single : A 97 SER OG : rot -20:sc= -0.47 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0429 USER MOD Single : A 106 CYS SG : rot 152:sc= 1.23 USER MOD Single : A 107 ASN : amide:sc=-0.00122 K(o=-0.0012,f=-0.83) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 140:sc= 0.395 USER MOD Single : A 122 LYS NZ :NH3+ -164:sc= -0.0517 (180deg=-0.285) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.0337 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 131 CYS SG : rot 179:sc= -1.32 USER MOD Single : A 132 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 135 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00263) USER MOD Single : A 137 HIS : no HD1:sc= -0.0809 X(o=-0.081,f=0.0078) USER MOD Single : A 138 SER OG : rot -104:sc= 0.856 USER MOD Single : B 27 SER OG : rot -33:sc= 0.0927 USER MOD Single : B 34 TYR OH : rot 7:sc= 0.712 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.895 5.828 -0.709 1.00 0.57 N ATOM 118 CA TYR A 59 -13.655 6.534 -0.447 1.00 0.44 C ATOM 119 C TYR A 59 -12.693 6.333 -1.601 1.00 0.41 C ATOM 120 O TYR A 59 -11.500 6.590 -1.478 1.00 0.42 O ATOM 121 CB TYR A 59 -13.032 6.075 0.875 1.00 0.66 C ATOM 122 CG TYR A 59 -13.895 6.411 2.052 1.00 0.89 C ATOM 123 CD1 TYR A 59 -15.009 5.653 2.310 1.00 1.04 C ATOM 124 CD2 TYR A 59 -13.614 7.485 2.878 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.846 5.945 3.366 1.00 1.27 C ATOM 126 CE2 TYR A 59 -14.437 7.790 3.945 1.00 1.30 C ATOM 127 CZ TYR A 59 -15.555 7.016 4.183 1.00 1.34 C ATOM 128 OH TYR A 59 -16.387 7.317 5.237 1.00 1.64 O ATOM 0 HA TYR A 59 -13.871 7.598 -0.356 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.867 4.998 0.843 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -12.055 6.543 0.997 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -15.235 4.811 1.673 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.741 8.092 2.686 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.721 5.340 3.551 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -14.208 8.627 4.588 1.00 1.30 H new ATOM 0 HH TYR A 59 -16.040 8.099 5.714 1.00 1.64 H new ATOM 138 N LYS A 60 -13.253 5.895 -2.732 1.00 0.42 N ATOM 139 CA LYS A 60 -12.478 5.516 -3.913 1.00 0.43 C ATOM 140 C LYS A 60 -11.460 6.592 -4.285 1.00 0.40 C ATOM 141 O LYS A 60 -10.260 6.371 -4.179 1.00 0.41 O ATOM 142 CB LYS A 60 -13.428 5.270 -5.091 1.00 0.52 C ATOM 143 CG LYS A 60 -12.760 4.690 -6.329 1.00 1.16 C ATOM 144 CD LYS A 60 -12.470 3.206 -6.174 1.00 1.35 C ATOM 145 CE LYS A 60 -11.983 2.589 -7.480 1.00 1.75 C ATOM 146 NZ LYS A 60 -10.589 2.989 -7.818 1.00 2.29 N ATOM 0 H LYS A 60 -14.261 5.794 -2.853 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.929 4.603 -3.681 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.218 4.592 -4.769 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -13.906 6.212 -5.359 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -13.403 4.846 -7.195 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -11.829 5.223 -6.523 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -11.717 3.061 -5.400 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -13.372 2.691 -5.842 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -12.038 1.503 -7.407 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -12.649 2.888 -8.289 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -10.109 2.201 -8.298 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -10.608 3.818 -8.446 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -10.075 3.228 -6.946 1.00 2.29 H new ATOM 160 N LEU A 61 -11.952 7.765 -4.668 1.00 0.45 N ATOM 161 CA LEU A 61 -11.094 8.866 -5.114 1.00 0.49 C ATOM 162 C LEU A 61 -10.045 9.211 -4.066 1.00 0.38 C ATOM 163 O LEU A 61 -8.900 9.520 -4.400 1.00 0.41 O ATOM 164 CB LEU A 61 -11.926 10.116 -5.420 1.00 0.62 C ATOM 165 CG LEU A 61 -12.822 10.618 -4.280 1.00 0.63 C ATOM 166 CD1 LEU A 61 -12.996 12.125 -4.375 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.186 9.939 -4.324 1.00 0.81 C ATOM 0 H LEU A 61 -12.948 7.983 -4.680 1.00 0.45 H new ATOM 0 HA LEU A 61 -10.591 8.533 -6.022 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -11.247 10.920 -5.704 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -12.554 9.908 -6.286 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.340 10.370 -3.334 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.634 12.470 -3.561 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.022 12.609 -4.303 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -13.457 12.379 -5.329 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.804 10.311 -3.507 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -14.671 10.159 -5.275 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.059 8.861 -4.222 1.00 0.81 H new ATOM 179 N GLU A 62 -10.449 9.160 -2.805 1.00 0.33 N ATOM 180 CA GLU A 62 -9.553 9.423 -1.696 1.00 0.30 C ATOM 181 C GLU A 62 -8.312 8.561 -1.762 1.00 0.26 C ATOM 182 O GLU A 62 -7.207 9.083 -1.782 1.00 0.32 O ATOM 183 CB GLU A 62 -10.282 9.196 -0.380 1.00 0.41 C ATOM 184 CG GLU A 62 -11.052 10.409 0.063 1.00 0.50 C ATOM 185 CD GLU A 62 -11.800 10.196 1.360 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.150 10.102 2.420 1.00 1.51 O ATOM 187 OE2 GLU A 62 -13.045 10.128 1.323 1.00 2.00 O ATOM 0 H GLU A 62 -11.404 8.936 -2.526 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.233 10.463 -1.761 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.965 8.354 -0.487 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.560 8.925 0.391 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -10.364 11.246 0.181 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.761 10.687 -0.717 1.00 0.50 H new ATOM 194 N ASN A 63 -8.495 7.253 -1.853 1.00 0.24 N ATOM 195 CA ASN A 63 -7.357 6.335 -1.861 1.00 0.23 C ATOM 196 C ASN A 63 -6.673 6.334 -3.219 1.00 0.21 C ATOM 197 O ASN A 63 -5.506 5.967 -3.328 1.00 0.22 O ATOM 198 CB ASN A 63 -7.758 4.906 -1.467 1.00 0.33 C ATOM 199 CG ASN A 63 -8.878 4.328 -2.301 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.659 3.805 -3.393 1.00 2.24 O ATOM 201 ND2 ASN A 63 -10.080 4.377 -1.762 1.00 0.90 N ATOM 0 H ASN A 63 -9.408 6.803 -1.922 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.655 6.696 -1.110 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -6.885 4.259 -1.551 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -8.059 4.900 -0.419 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.876 3.971 -2.253 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.214 4.821 -0.854 1.00 0.90 H new ATOM 208 N GLU A 64 -7.397 6.754 -4.244 1.00 0.23 N ATOM 209 CA GLU A 64 -6.832 6.893 -5.572 1.00 0.29 C ATOM 210 C GLU A 64 -5.771 7.989 -5.596 1.00 0.29 C ATOM 211 O GLU A 64 -4.644 7.756 -6.028 1.00 0.35 O ATOM 212 CB GLU A 64 -7.950 7.181 -6.570 1.00 0.38 C ATOM 213 CG GLU A 64 -8.914 6.023 -6.707 1.00 0.41 C ATOM 214 CD GLU A 64 -9.843 6.152 -7.893 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.742 7.017 -7.856 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.665 5.413 -8.877 1.00 0.88 O ATOM 0 H GLU A 64 -8.383 7.005 -4.178 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.342 5.961 -5.855 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.496 8.069 -6.253 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.515 7.405 -7.544 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.347 5.097 -6.798 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.508 5.945 -5.796 1.00 0.41 H new ATOM 223 N LYS A 65 -6.126 9.171 -5.102 1.00 0.27 N ATOM 224 CA LYS A 65 -5.169 10.269 -5.017 1.00 0.30 C ATOM 225 C LYS A 65 -4.186 10.005 -3.893 1.00 0.23 C ATOM 226 O LYS A 65 -3.049 10.446 -3.923 1.00 0.30 O ATOM 227 CB LYS A 65 -5.872 11.591 -4.753 1.00 0.39 C ATOM 228 CG LYS A 65 -7.099 11.814 -5.596 1.00 0.65 C ATOM 229 CD LYS A 65 -7.694 13.191 -5.345 1.00 1.23 C ATOM 230 CE LYS A 65 -8.912 13.447 -6.215 1.00 2.14 C ATOM 231 NZ LYS A 65 -9.413 14.840 -6.077 1.00 2.98 N ATOM 0 H LYS A 65 -7.060 9.392 -4.757 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.646 10.333 -5.971 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.154 11.637 -3.701 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.170 12.405 -4.930 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.843 11.712 -6.651 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.841 11.048 -5.373 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -7.972 13.281 -4.295 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -6.940 13.954 -5.541 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.660 13.254 -7.258 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -9.704 12.749 -5.944 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -10.245 14.972 -6.687 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -9.679 15.017 -5.087 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -8.667 15.507 -6.360 1.00 2.98 H new ATOM 245 N LEU A 66 -4.653 9.289 -2.894 1.00 0.16 N ATOM 246 CA LEU A 66 -3.845 8.971 -1.731 1.00 0.15 C ATOM 247 C LEU A 66 -2.673 8.060 -2.064 1.00 0.15 C ATOM 248 O LEU A 66 -1.519 8.387 -1.785 1.00 0.18 O ATOM 249 CB LEU A 66 -4.725 8.310 -0.689 1.00 0.15 C ATOM 250 CG LEU A 66 -4.894 9.115 0.572 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.120 8.658 1.348 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.628 8.987 1.384 1.00 0.22 C ATOM 0 H LEU A 66 -5.600 8.911 -2.862 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.426 9.903 -1.351 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.707 8.124 -1.123 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.301 7.339 -0.433 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.060 10.165 0.332 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.220 9.255 2.255 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.009 8.784 0.730 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.010 7.607 1.616 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.726 9.563 2.304 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.457 7.939 1.628 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.785 9.367 0.806 1.00 0.22 H new ATOM 264 N PHE A 67 -2.982 6.908 -2.636 1.00 0.14 N ATOM 265 CA PHE A 67 -1.977 5.921 -2.989 1.00 0.15 C ATOM 266 C PHE A 67 -0.871 6.531 -3.843 1.00 0.17 C ATOM 267 O PHE A 67 0.313 6.244 -3.642 1.00 0.20 O ATOM 268 CB PHE A 67 -2.632 4.760 -3.736 1.00 0.15 C ATOM 269 CG PHE A 67 -1.920 3.468 -3.531 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.825 3.123 -4.297 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.351 2.603 -2.552 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.169 1.928 -4.085 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.705 1.408 -2.332 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.611 1.068 -3.101 1.00 0.19 C ATOM 0 H PHE A 67 -3.936 6.632 -2.868 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.525 5.555 -2.067 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.665 4.657 -3.404 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.661 4.989 -4.801 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.479 3.794 -5.069 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.207 2.865 -1.948 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.688 1.666 -4.688 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.053 0.738 -1.560 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.102 0.131 -2.933 1.00 0.19 H new ATOM 284 N GLU A 68 -1.253 7.389 -4.778 1.00 0.18 N ATOM 285 CA GLU A 68 -0.290 7.991 -5.680 1.00 0.23 C ATOM 286 C GLU A 68 0.631 8.970 -4.948 1.00 0.19 C ATOM 287 O GLU A 68 1.785 9.120 -5.339 1.00 0.24 O ATOM 288 CB GLU A 68 -0.982 8.675 -6.864 1.00 0.40 C ATOM 289 CG GLU A 68 -1.903 9.805 -6.471 1.00 0.54 C ATOM 290 CD GLU A 68 -2.442 10.573 -7.658 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.637 11.199 -8.379 1.00 1.81 O ATOM 292 OE2 GLU A 68 -3.669 10.562 -7.880 1.00 1.39 O ATOM 0 H GLU A 68 -2.219 7.681 -4.929 1.00 0.18 H new ATOM 0 HA GLU A 68 0.328 7.184 -6.074 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -0.221 9.060 -7.543 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -1.554 7.930 -7.417 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.738 9.402 -5.897 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -1.367 10.491 -5.815 1.00 0.54 H new ATOM 299 N GLU A 69 0.157 9.607 -3.864 1.00 0.19 N ATOM 300 CA GLU A 69 1.008 10.527 -3.116 1.00 0.22 C ATOM 301 C GLU A 69 2.182 9.767 -2.526 1.00 0.20 C ATOM 302 O GLU A 69 3.314 10.249 -2.499 1.00 0.28 O ATOM 303 CB GLU A 69 0.232 11.223 -2.001 1.00 0.26 C ATOM 304 CG GLU A 69 -0.965 11.995 -2.502 1.00 0.34 C ATOM 305 CD GLU A 69 -1.677 12.761 -1.407 1.00 1.02 C ATOM 306 OE1 GLU A 69 -2.593 12.191 -0.775 1.00 1.78 O ATOM 307 OE2 GLU A 69 -1.322 13.934 -1.162 1.00 1.31 O ATOM 0 H GLU A 69 -0.789 9.501 -3.498 1.00 0.19 H new ATOM 0 HA GLU A 69 1.368 11.292 -3.804 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.101 10.478 -1.279 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.900 11.903 -1.472 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -0.643 12.693 -3.275 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.666 11.304 -2.969 1.00 0.34 H new ATOM 314 N PHE A 70 1.888 8.558 -2.073 1.00 0.15 N ATOM 315 CA PHE A 70 2.894 7.675 -1.517 1.00 0.13 C ATOM 316 C PHE A 70 3.881 7.262 -2.601 1.00 0.13 C ATOM 317 O PHE A 70 5.090 7.283 -2.393 1.00 0.14 O ATOM 318 CB PHE A 70 2.209 6.447 -0.915 1.00 0.12 C ATOM 319 CG PHE A 70 3.093 5.602 -0.046 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.248 5.045 -0.549 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.746 5.336 1.265 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.045 4.238 0.228 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.542 4.534 2.058 1.00 0.11 C ATOM 324 CZ PHE A 70 4.694 3.982 1.537 1.00 0.11 C ATOM 0 H PHE A 70 0.947 8.165 -2.082 1.00 0.15 H new ATOM 0 HA PHE A 70 3.446 8.194 -0.733 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.352 6.777 -0.327 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.821 5.830 -1.725 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.532 5.246 -1.571 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.841 5.761 1.674 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.944 3.805 -0.186 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.264 4.339 3.083 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.319 3.352 2.152 1.00 0.11 H new ATOM 334 N LEU A 71 3.360 6.909 -3.763 1.00 0.14 N ATOM 335 CA LEU A 71 4.173 6.411 -4.854 1.00 0.15 C ATOM 336 C LEU A 71 5.045 7.482 -5.455 1.00 0.16 C ATOM 337 O LEU A 71 6.205 7.242 -5.771 1.00 0.18 O ATOM 338 CB LEU A 71 3.266 5.845 -5.915 1.00 0.17 C ATOM 339 CG LEU A 71 2.567 4.567 -5.498 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.687 4.080 -6.619 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.601 3.523 -5.121 1.00 0.16 C ATOM 0 H LEU A 71 2.364 6.960 -3.975 1.00 0.14 H new ATOM 0 HA LEU A 71 4.835 5.642 -4.457 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.515 6.591 -6.175 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.850 5.653 -6.815 1.00 0.17 H new ATOM 0 HG LEU A 71 1.937 4.757 -4.629 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.186 3.161 -6.315 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.941 4.840 -6.852 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.296 3.887 -7.502 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.098 2.604 -4.821 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.244 3.322 -5.978 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.206 3.892 -4.293 1.00 0.16 H new ATOM 353 N GLU A 72 4.494 8.648 -5.633 1.00 0.16 N ATOM 354 CA GLU A 72 5.252 9.741 -6.180 1.00 0.19 C ATOM 355 C GLU A 72 6.345 10.151 -5.211 1.00 0.18 C ATOM 356 O GLU A 72 7.401 10.637 -5.613 1.00 0.21 O ATOM 357 CB GLU A 72 4.318 10.856 -6.586 1.00 0.24 C ATOM 358 CG GLU A 72 3.343 10.347 -7.632 1.00 0.29 C ATOM 359 CD GLU A 72 2.402 11.407 -8.154 1.00 0.73 C ATOM 360 OE1 GLU A 72 2.047 12.320 -7.373 1.00 1.21 O ATOM 361 OE2 GLU A 72 2.008 11.338 -9.333 1.00 1.17 O ATOM 0 H GLU A 72 3.524 8.868 -5.408 1.00 0.16 H new ATOM 0 HA GLU A 72 5.768 9.439 -7.091 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.774 11.224 -5.716 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.888 11.695 -6.984 1.00 0.24 H new ATOM 0 HG2 GLU A 72 3.905 9.930 -8.467 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.758 9.533 -7.204 1.00 0.29 H new ATOM 368 N LEU A 73 6.084 9.935 -3.932 1.00 0.16 N ATOM 369 CA LEU A 73 7.102 10.042 -2.912 1.00 0.16 C ATOM 370 C LEU A 73 8.114 8.896 -3.034 1.00 0.15 C ATOM 371 O LEU A 73 9.320 9.135 -3.059 1.00 0.18 O ATOM 372 CB LEU A 73 6.436 10.012 -1.542 1.00 0.16 C ATOM 373 CG LEU A 73 7.364 9.761 -0.363 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.750 11.066 0.311 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.690 8.814 0.608 1.00 0.16 C ATOM 0 H LEU A 73 5.162 9.682 -3.577 1.00 0.16 H new ATOM 0 HA LEU A 73 7.640 10.981 -3.039 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.928 10.963 -1.385 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.669 9.238 -1.548 1.00 0.16 H new ATOM 0 HG LEU A 73 8.286 9.302 -0.720 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.414 10.859 1.151 1.00 0.23 H new ATOM 0 HD12 LEU A 73 8.261 11.709 -0.406 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.853 11.568 0.673 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.351 8.630 1.455 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.760 9.258 0.963 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.474 7.871 0.106 1.00 0.16 H new ATOM 387 N CYS A 74 7.630 7.652 -3.130 1.00 0.13 N ATOM 388 CA CYS A 74 8.521 6.500 -3.157 1.00 0.13 C ATOM 389 C CYS A 74 9.367 6.502 -4.431 1.00 0.15 C ATOM 390 O CYS A 74 10.479 5.985 -4.443 1.00 0.18 O ATOM 391 CB CYS A 74 7.732 5.190 -3.000 1.00 0.16 C ATOM 392 SG CYS A 74 6.569 4.819 -4.308 1.00 0.50 S ATOM 0 H CYS A 74 6.637 7.425 -3.189 1.00 0.13 H new ATOM 0 HA CYS A 74 9.202 6.571 -2.309 1.00 0.13 H new ATOM 0 HB2 CYS A 74 8.443 4.367 -2.927 1.00 0.16 H new ATOM 0 HB3 CYS A 74 7.188 5.226 -2.056 1.00 0.16 H new ATOM 0 HG CYS A 74 6.670 5.714 -5.245 1.00 0.50 H new ATOM 398 N LYS A 75 8.842 7.118 -5.486 1.00 0.18 N ATOM 399 CA LYS A 75 9.585 7.337 -6.715 1.00 0.22 C ATOM 400 C LYS A 75 10.896 8.081 -6.462 1.00 0.22 C ATOM 401 O LYS A 75 11.876 7.896 -7.182 1.00 0.26 O ATOM 402 CB LYS A 75 8.748 8.143 -7.690 1.00 0.28 C ATOM 403 CG LYS A 75 8.453 7.356 -8.931 1.00 0.57 C ATOM 404 CD LYS A 75 7.198 6.529 -8.789 1.00 0.61 C ATOM 405 CE LYS A 75 5.937 7.348 -9.025 1.00 0.38 C ATOM 406 NZ LYS A 75 5.817 7.813 -10.432 1.00 0.96 N ATOM 0 H LYS A 75 7.888 7.478 -5.509 1.00 0.18 H new ATOM 0 HA LYS A 75 9.817 6.357 -7.132 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.814 8.439 -7.213 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.275 9.060 -7.954 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.345 8.037 -9.775 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.296 6.702 -9.155 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.229 5.701 -9.497 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.164 6.093 -7.791 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.064 6.748 -8.768 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.938 8.211 -8.359 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.830 8.075 -10.628 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.430 8.640 -10.578 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.107 7.049 -11.076 1.00 0.96 H new ATOM 420 N MET A 76 10.903 8.917 -5.431 1.00 0.22 N ATOM 421 CA MET A 76 12.057 9.750 -5.129 1.00 0.26 C ATOM 422 C MET A 76 12.936 9.043 -4.121 1.00 0.25 C ATOM 423 O MET A 76 14.163 9.095 -4.184 1.00 0.32 O ATOM 424 CB MET A 76 11.612 11.095 -4.536 1.00 0.29 C ATOM 425 CG MET A 76 10.291 11.609 -5.069 1.00 0.27 C ATOM 426 SD MET A 76 9.820 13.199 -4.366 1.00 0.32 S ATOM 427 CE MET A 76 9.705 12.784 -2.626 1.00 0.35 C ATOM 0 H MET A 76 10.119 9.035 -4.789 1.00 0.22 H new ATOM 0 HA MET A 76 12.606 9.930 -6.053 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.538 10.994 -3.453 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.384 11.839 -4.735 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.354 11.702 -6.153 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.511 10.878 -4.856 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.796 13.217 -2.208 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.677 11.700 -2.511 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.572 13.182 -2.099 1.00 0.35 H new ATOM 437 N GLN A 77 12.275 8.367 -3.198 1.00 0.21 N ATOM 438 CA GLN A 77 12.937 7.729 -2.081 1.00 0.22 C ATOM 439 C GLN A 77 13.591 6.427 -2.511 1.00 0.21 C ATOM 440 O GLN A 77 14.803 6.259 -2.399 1.00 0.24 O ATOM 441 CB GLN A 77 11.912 7.433 -0.995 1.00 0.23 C ATOM 442 CG GLN A 77 11.043 8.616 -0.605 1.00 0.30 C ATOM 443 CD GLN A 77 11.714 9.583 0.341 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.931 9.760 0.331 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.907 10.211 1.174 1.00 0.48 N ATOM 0 H GLN A 77 11.262 8.247 -3.205 1.00 0.21 H new ATOM 0 HA GLN A 77 13.708 8.401 -1.705 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.267 6.622 -1.334 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.435 7.075 -0.108 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.749 9.151 -1.508 1.00 0.30 H new ATOM 0 HG3 GLN A 77 10.129 8.245 -0.142 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.903 10.031 1.145 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.287 10.876 1.847 1.00 0.48 H new ATOM 454 N THR A 78 12.777 5.517 -3.023 1.00 0.18 N ATOM 455 CA THR A 78 13.250 4.211 -3.436 1.00 0.20 C ATOM 456 C THR A 78 13.766 4.268 -4.866 1.00 0.22 C ATOM 457 O THR A 78 13.521 3.380 -5.673 1.00 0.24 O ATOM 458 CB THR A 78 12.134 3.152 -3.315 1.00 0.20 C ATOM 459 OG1 THR A 78 11.034 3.470 -4.178 1.00 0.56 O ATOM 460 CG2 THR A 78 11.632 3.074 -1.884 1.00 0.42 C ATOM 0 H THR A 78 11.777 5.664 -3.162 1.00 0.18 H new ATOM 0 HA THR A 78 14.066 3.921 -2.774 1.00 0.20 H new ATOM 0 HB THR A 78 12.555 2.190 -3.609 1.00 0.20 H new ATOM 0 HG1 THR A 78 11.126 4.391 -4.500 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.845 2.323 -1.815 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.455 2.799 -1.224 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.235 4.044 -1.584 1.00 0.42 H new ATOM 468 N ALA A 79 14.495 5.331 -5.161 1.00 0.25 N ATOM 469 CA ALA A 79 15.028 5.560 -6.491 1.00 0.30 C ATOM 470 C ALA A 79 16.119 4.546 -6.822 1.00 0.34 C ATOM 471 O ALA A 79 16.389 4.261 -7.988 1.00 0.42 O ATOM 472 CB ALA A 79 15.561 6.975 -6.577 1.00 0.32 C ATOM 0 H ALA A 79 14.733 6.058 -4.486 1.00 0.25 H new ATOM 0 HA ALA A 79 14.231 5.433 -7.223 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.963 7.152 -7.575 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.754 7.680 -6.380 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.351 7.112 -5.838 1.00 0.32 H new ATOM 478 N ASP A 80 16.737 3.999 -5.780 1.00 0.35 N ATOM 479 CA ASP A 80 17.760 2.969 -5.941 1.00 0.44 C ATOM 480 C ASP A 80 17.110 1.619 -6.243 1.00 0.38 C ATOM 481 O ASP A 80 17.761 0.691 -6.719 1.00 0.44 O ATOM 482 CB ASP A 80 18.623 2.877 -4.677 1.00 0.59 C ATOM 483 CG ASP A 80 19.786 1.913 -4.825 1.00 1.31 C ATOM 484 OD1 ASP A 80 20.674 2.174 -5.668 1.00 1.68 O ATOM 485 OD2 ASP A 80 19.822 0.896 -4.101 1.00 2.29 O ATOM 0 H ASP A 80 16.547 4.253 -4.811 1.00 0.35 H new ATOM 0 HA ASP A 80 18.401 3.240 -6.780 1.00 0.44 H new ATOM 0 HB2 ASP A 80 19.007 3.867 -4.433 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.000 2.561 -3.840 1.00 0.59 H new ATOM 490 N HIS A 81 15.813 1.524 -5.975 1.00 0.35 N ATOM 491 CA HIS A 81 15.047 0.313 -6.261 1.00 0.39 C ATOM 492 C HIS A 81 13.662 0.666 -6.786 1.00 0.34 C ATOM 493 O HIS A 81 12.678 0.573 -6.051 1.00 0.30 O ATOM 494 CB HIS A 81 14.894 -0.565 -5.013 1.00 0.49 C ATOM 495 CG HIS A 81 16.056 -1.463 -4.742 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.208 -2.695 -5.342 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.114 -1.319 -3.911 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.307 -3.265 -4.893 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.873 -2.450 -4.025 1.00 1.12 N ATOM 0 H HIS A 81 15.265 2.276 -5.557 1.00 0.35 H new ATOM 0 HA HIS A 81 15.600 -0.243 -7.018 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.739 0.079 -4.148 1.00 0.49 H new ATOM 0 HB3 HIS A 81 13.997 -1.175 -5.121 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.570 -3.101 -6.026 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.320 -0.470 -3.277 1.00 0.60 H new ATOM 0 HE1 HIS A 81 17.681 -4.235 -5.186 1.00 2.11 H new ATOM 508 N PRO A 82 13.557 1.061 -8.069 1.00 0.39 N ATOM 509 CA PRO A 82 12.276 1.431 -8.692 1.00 0.39 C ATOM 510 C PRO A 82 11.338 0.234 -8.891 1.00 0.35 C ATOM 511 O PRO A 82 10.504 0.227 -9.795 1.00 0.39 O ATOM 512 CB PRO A 82 12.700 2.012 -10.037 1.00 0.50 C ATOM 513 CG PRO A 82 13.998 1.362 -10.340 1.00 0.53 C ATOM 514 CD PRO A 82 14.678 1.195 -9.017 1.00 0.48 C ATOM 0 HA PRO A 82 11.707 2.121 -8.069 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.961 1.799 -10.810 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.803 3.096 -9.985 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.850 0.400 -10.830 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.596 1.975 -11.014 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.322 0.315 -9.005 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.306 2.053 -8.777 1.00 0.48 H new ATOM 522 N GLU A 83 11.500 -0.779 -8.055 1.00 0.29 N ATOM 523 CA GLU A 83 10.637 -1.950 -8.059 1.00 0.26 C ATOM 524 C GLU A 83 9.451 -1.721 -7.121 1.00 0.19 C ATOM 525 O GLU A 83 8.361 -2.248 -7.335 1.00 0.22 O ATOM 526 CB GLU A 83 11.435 -3.178 -7.611 1.00 0.33 C ATOM 527 CG GLU A 83 12.728 -3.373 -8.388 1.00 0.49 C ATOM 528 CD GLU A 83 13.635 -4.418 -7.765 1.00 1.32 C ATOM 529 OE1 GLU A 83 14.467 -4.056 -6.903 1.00 2.05 O ATOM 530 OE2 GLU A 83 13.507 -5.611 -8.129 1.00 1.72 O ATOM 0 H GLU A 83 12.237 -0.812 -7.351 1.00 0.29 H new ATOM 0 HA GLU A 83 10.261 -2.120 -9.068 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.668 -3.084 -6.550 1.00 0.33 H new ATOM 0 HB3 GLU A 83 10.814 -4.067 -7.724 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.491 -3.667 -9.411 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.260 -2.423 -8.444 1.00 0.49 H new ATOM 537 N VAL A 84 9.692 -0.911 -6.092 1.00 0.15 N ATOM 538 CA VAL A 84 8.710 -0.619 -5.047 1.00 0.11 C ATOM 539 C VAL A 84 7.393 -0.085 -5.608 1.00 0.11 C ATOM 540 O VAL A 84 6.326 -0.647 -5.364 1.00 0.13 O ATOM 541 CB VAL A 84 9.263 0.455 -4.096 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.327 0.650 -2.931 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.664 0.112 -3.623 1.00 0.14 C ATOM 0 H VAL A 84 10.583 -0.434 -5.958 1.00 0.15 H new ATOM 0 HA VAL A 84 8.523 -1.562 -4.533 1.00 0.11 H new ATOM 0 HB VAL A 84 9.331 1.394 -4.646 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.729 1.413 -2.265 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.351 0.967 -3.298 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.223 -0.289 -2.387 1.00 0.13 H new ATOM 0 HG21 VAL A 84 11.023 0.893 -2.953 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.646 -0.841 -3.094 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.330 0.037 -4.483 1.00 0.14 H new ATOM 553 N VAL A 85 7.487 1.008 -6.351 1.00 0.11 N ATOM 554 CA VAL A 85 6.314 1.686 -6.895 1.00 0.13 C ATOM 555 C VAL A 85 5.478 0.773 -7.793 1.00 0.15 C ATOM 556 O VAL A 85 4.285 0.604 -7.549 1.00 0.16 O ATOM 557 CB VAL A 85 6.698 2.948 -7.677 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.470 3.801 -7.885 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.779 3.726 -6.951 1.00 0.15 C ATOM 0 H VAL A 85 8.373 1.450 -6.594 1.00 0.11 H new ATOM 0 HA VAL A 85 5.710 1.970 -6.033 1.00 0.13 H new ATOM 0 HB VAL A 85 7.099 2.657 -8.648 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.741 4.699 -8.441 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.726 3.237 -8.447 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.056 4.084 -6.917 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.034 4.617 -7.525 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.416 4.021 -5.966 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.665 3.100 -6.839 1.00 0.15 H new ATOM 569 N PRO A 86 6.071 0.174 -8.849 1.00 0.17 N ATOM 570 CA PRO A 86 5.351 -0.764 -9.714 1.00 0.20 C ATOM 571 C PRO A 86 4.741 -1.912 -8.923 1.00 0.18 C ATOM 572 O PRO A 86 3.665 -2.402 -9.259 1.00 0.20 O ATOM 573 CB PRO A 86 6.424 -1.279 -10.670 1.00 0.23 C ATOM 574 CG PRO A 86 7.458 -0.213 -10.687 1.00 0.22 C ATOM 575 CD PRO A 86 7.458 0.377 -9.306 1.00 0.17 C ATOM 0 HA PRO A 86 4.514 -0.288 -10.225 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.838 -2.227 -10.326 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.017 -1.451 -11.666 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.437 -0.621 -10.938 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.227 0.544 -11.436 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.173 -0.125 -8.654 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.726 1.433 -9.320 1.00 0.17 H new ATOM 583 N PHE A 87 5.433 -2.328 -7.865 1.00 0.16 N ATOM 584 CA PHE A 87 4.909 -3.343 -6.966 1.00 0.15 C ATOM 585 C PHE A 87 3.634 -2.828 -6.303 1.00 0.14 C ATOM 586 O PHE A 87 2.593 -3.487 -6.346 1.00 0.16 O ATOM 587 CB PHE A 87 5.956 -3.704 -5.904 1.00 0.17 C ATOM 588 CG PHE A 87 5.633 -4.931 -5.093 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.451 -5.625 -5.283 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.530 -5.397 -4.148 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.169 -6.758 -4.551 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.252 -6.528 -3.409 1.00 0.25 C ATOM 593 CZ PHE A 87 5.071 -7.209 -3.611 1.00 0.38 C ATOM 0 H PHE A 87 6.356 -1.976 -7.613 1.00 0.16 H new ATOM 0 HA PHE A 87 4.676 -4.242 -7.537 1.00 0.15 H new ATOM 0 HB2 PHE A 87 6.917 -3.853 -6.397 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.073 -2.858 -5.227 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.739 -5.274 -6.015 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.458 -4.869 -3.987 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.244 -7.291 -4.713 1.00 0.52 H new ATOM 0 HE2 PHE A 87 6.959 -6.880 -2.673 1.00 0.25 H new ATOM 0 HZ PHE A 87 4.852 -8.095 -3.034 1.00 0.38 H new ATOM 603 N LEU A 88 3.719 -1.642 -5.711 1.00 0.12 N ATOM 604 CA LEU A 88 2.574 -1.034 -5.049 1.00 0.13 C ATOM 605 C LEU A 88 1.423 -0.820 -6.024 1.00 0.14 C ATOM 606 O LEU A 88 0.260 -1.041 -5.684 1.00 0.16 O ATOM 607 CB LEU A 88 2.973 0.293 -4.401 1.00 0.13 C ATOM 608 CG LEU A 88 3.990 0.170 -3.269 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.948 1.412 -2.388 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.724 -1.094 -2.461 1.00 0.20 C ATOM 0 H LEU A 88 4.571 -1.083 -5.677 1.00 0.12 H new ATOM 0 HA LEU A 88 2.236 -1.718 -4.271 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.383 0.948 -5.170 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.076 0.777 -4.014 1.00 0.13 H new ATOM 0 HG LEU A 88 4.991 0.094 -3.693 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.678 1.313 -1.584 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.185 2.291 -2.987 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.951 1.522 -1.961 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.455 -1.172 -1.656 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.721 -1.050 -2.037 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.806 -1.965 -3.111 1.00 0.20 H new ATOM 622 N TYR A 89 1.757 -0.404 -7.240 1.00 0.16 N ATOM 623 CA TYR A 89 0.753 -0.221 -8.281 1.00 0.20 C ATOM 624 C TYR A 89 0.069 -1.542 -8.574 1.00 0.21 C ATOM 625 O TYR A 89 -1.155 -1.651 -8.531 1.00 0.25 O ATOM 626 CB TYR A 89 1.378 0.290 -9.585 1.00 0.22 C ATOM 627 CG TYR A 89 1.435 1.786 -9.727 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.281 2.527 -9.945 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.645 2.455 -9.670 1.00 0.28 C ATOM 630 CE1 TYR A 89 0.335 3.898 -10.099 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.710 3.823 -9.827 1.00 0.37 C ATOM 632 CZ TYR A 89 1.553 4.542 -10.040 1.00 0.43 C ATOM 633 OH TYR A 89 1.616 5.907 -10.200 1.00 0.54 O ATOM 0 H TYR A 89 2.711 -0.188 -7.529 1.00 0.16 H new ATOM 0 HA TYR A 89 0.037 0.515 -7.916 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.391 -0.105 -9.662 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.813 -0.117 -10.423 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.673 2.023 -9.995 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.553 1.896 -9.500 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -0.571 4.462 -10.265 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.663 4.329 -9.783 1.00 0.37 H new ATOM 0 HH TYR A 89 2.548 6.202 -10.130 1.00 0.54 H new ATOM 643 N ASN A 90 0.890 -2.549 -8.826 1.00 0.19 N ATOM 644 CA ASN A 90 0.417 -3.863 -9.220 1.00 0.23 C ATOM 645 C ASN A 90 -0.448 -4.476 -8.138 1.00 0.22 C ATOM 646 O ASN A 90 -1.540 -4.971 -8.404 1.00 0.27 O ATOM 647 CB ASN A 90 1.602 -4.776 -9.486 1.00 0.27 C ATOM 648 CG ASN A 90 1.199 -6.054 -10.184 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.194 -6.136 -11.410 1.00 1.33 O ATOM 650 ND2 ASN A 90 0.846 -7.060 -9.406 1.00 0.67 N ATOM 0 H ASN A 90 1.905 -2.476 -8.762 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.180 -3.751 -10.125 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.335 -4.248 -10.096 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.089 -5.019 -8.542 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.555 -7.946 -9.819 1.00 0.67 H new ATOM 0 HD22 ASN A 90 0.864 -6.951 -8.392 1.00 0.67 H new ATOM 657 N ARG A 91 0.049 -4.432 -6.914 1.00 0.19 N ATOM 658 CA ARG A 91 -0.638 -5.034 -5.786 1.00 0.20 C ATOM 659 C ARG A 91 -2.001 -4.385 -5.571 1.00 0.20 C ATOM 660 O ARG A 91 -2.958 -5.060 -5.197 1.00 0.22 O ATOM 661 CB ARG A 91 0.222 -4.909 -4.531 1.00 0.22 C ATOM 662 CG ARG A 91 -0.375 -5.563 -3.296 1.00 0.26 C ATOM 663 CD ARG A 91 -0.546 -7.060 -3.465 1.00 0.36 C ATOM 664 NE ARG A 91 0.077 -7.791 -2.362 1.00 0.80 N ATOM 665 CZ ARG A 91 1.183 -8.530 -2.482 1.00 0.73 C ATOM 666 NH1 ARG A 91 1.733 -8.731 -3.674 1.00 1.38 N ATOM 667 NH2 ARG A 91 1.726 -9.089 -1.409 1.00 1.25 N ATOM 0 H ARG A 91 0.933 -3.982 -6.676 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.802 -6.090 -5.999 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.198 -5.354 -4.728 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.389 -3.852 -4.323 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.267 -5.367 -2.437 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.343 -5.111 -3.080 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.607 -7.304 -3.513 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -0.103 -7.375 -4.410 1.00 0.36 H new ATOM 0 HE ARG A 91 -0.361 -7.733 -1.443 1.00 0.80 H new ATOM 0 HH11 ARG A 91 1.311 -8.320 -4.506 1.00 1.38 H new ATOM 0 HH12 ARG A 91 2.578 -9.297 -3.757 1.00 1.38 H new ATOM 0 HH21 ARG A 91 1.299 -8.955 -0.493 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.571 -9.653 -1.500 1.00 1.25 H new ATOM 681 N GLN A 92 -2.088 -3.081 -5.819 1.00 0.19 N ATOM 682 CA GLN A 92 -3.352 -2.366 -5.684 1.00 0.21 C ATOM 683 C GLN A 92 -4.312 -2.790 -6.787 1.00 0.24 C ATOM 684 O GLN A 92 -5.521 -2.871 -6.578 1.00 0.26 O ATOM 685 CB GLN A 92 -3.143 -0.849 -5.730 1.00 0.23 C ATOM 686 CG GLN A 92 -4.407 -0.060 -5.404 1.00 0.34 C ATOM 687 CD GLN A 92 -4.257 1.429 -5.640 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.500 1.863 -6.509 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.990 2.220 -4.875 1.00 0.78 N ATOM 0 H GLN A 92 -1.302 -2.501 -6.113 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.779 -2.620 -4.714 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.359 -0.575 -5.024 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.792 -0.567 -6.722 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.230 -0.437 -6.012 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.676 -0.231 -4.362 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.604 1.818 -4.167 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.941 3.232 -4.993 1.00 0.78 H new ATOM 698 N GLN A 93 -3.760 -3.060 -7.962 1.00 0.26 N ATOM 699 CA GLN A 93 -4.565 -3.490 -9.100 1.00 0.32 C ATOM 700 C GLN A 93 -5.094 -4.894 -8.857 1.00 0.34 C ATOM 701 O GLN A 93 -6.170 -5.261 -9.332 1.00 0.40 O ATOM 702 CB GLN A 93 -3.747 -3.478 -10.398 1.00 0.36 C ATOM 703 CG GLN A 93 -3.087 -2.150 -10.724 1.00 0.38 C ATOM 704 CD GLN A 93 -4.038 -0.987 -10.652 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.689 -0.623 -11.633 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.110 -0.387 -9.484 1.00 0.57 N ATOM 0 H GLN A 93 -2.761 -2.990 -8.153 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.394 -2.791 -9.206 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.975 -4.244 -10.331 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.401 -3.755 -11.225 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.262 -1.981 -10.032 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.658 -2.200 -11.725 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.551 -0.726 -8.701 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.725 0.417 -9.361 1.00 0.57 H new ATOM 715 N ARG A 94 -4.331 -5.673 -8.105 1.00 0.33 N ATOM 716 CA ARG A 94 -4.706 -7.047 -7.817 1.00 0.38 C ATOM 717 C ARG A 94 -5.615 -7.100 -6.600 1.00 0.32 C ATOM 718 O ARG A 94 -6.244 -8.119 -6.321 1.00 0.46 O ATOM 719 CB ARG A 94 -3.470 -7.912 -7.581 1.00 0.47 C ATOM 720 CG ARG A 94 -2.481 -7.882 -8.730 1.00 0.70 C ATOM 721 CD ARG A 94 -3.133 -8.249 -10.051 1.00 0.95 C ATOM 722 NE ARG A 94 -2.148 -8.349 -11.127 1.00 1.67 N ATOM 723 CZ ARG A 94 -2.374 -7.998 -12.392 1.00 2.40 C ATOM 724 NH1 ARG A 94 -3.543 -7.479 -12.751 1.00 2.73 N ATOM 725 NH2 ARG A 94 -1.418 -8.153 -13.298 1.00 3.24 N ATOM 0 H ARG A 94 -3.450 -5.377 -7.684 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.242 -7.440 -8.681 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -2.970 -7.576 -6.673 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -3.784 -8.942 -7.410 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.043 -6.887 -8.806 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -1.665 -8.574 -8.524 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -3.657 -9.199 -9.947 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -3.880 -7.499 -10.309 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.224 -8.713 -10.893 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -4.277 -7.346 -12.055 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -3.706 -7.213 -13.722 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -0.514 -8.540 -13.025 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -1.586 -7.886 -14.268 1.00 3.24 H new ATOM 739 N ALA A 95 -5.663 -5.996 -5.871 1.00 0.28 N ATOM 740 CA ALA A 95 -6.514 -5.882 -4.710 1.00 0.25 C ATOM 741 C ALA A 95 -7.936 -5.529 -5.128 1.00 0.26 C ATOM 742 O ALA A 95 -8.144 -4.728 -6.040 1.00 0.36 O ATOM 743 CB ALA A 95 -5.947 -4.837 -3.759 1.00 0.25 C ATOM 0 H ALA A 95 -5.113 -5.160 -6.071 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.546 -6.840 -4.192 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.592 -4.753 -2.884 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.946 -5.135 -3.446 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.896 -3.873 -4.266 1.00 0.25 H new ATOM 749 N HIS A 96 -8.905 -6.149 -4.471 1.00 0.29 N ATOM 750 CA HIS A 96 -10.308 -5.920 -4.785 1.00 0.29 C ATOM 751 C HIS A 96 -10.708 -4.497 -4.422 1.00 0.27 C ATOM 752 O HIS A 96 -10.422 -4.019 -3.320 1.00 0.29 O ATOM 753 CB HIS A 96 -11.210 -6.905 -4.046 1.00 0.33 C ATOM 754 CG HIS A 96 -12.559 -7.043 -4.678 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.593 -6.204 -4.353 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.977 -7.920 -5.620 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.615 -6.588 -5.102 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.288 -7.624 -5.884 1.00 0.50 N ATOM 0 H HIS A 96 -8.745 -6.816 -3.716 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.434 -6.071 -5.857 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.726 -7.881 -4.016 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -11.329 -6.577 -3.013 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.390 -8.703 -6.076 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.590 -6.124 -5.084 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.898 -8.101 -6.548 1.00 0.50 H new ATOM 766 N SER A 97 -11.397 -3.843 -5.345 1.00 0.32 N ATOM 767 CA SER A 97 -11.738 -2.433 -5.223 1.00 0.37 C ATOM 768 C SER A 97 -12.675 -2.150 -4.041 1.00 0.33 C ATOM 769 O SER A 97 -12.845 -0.997 -3.654 1.00 0.39 O ATOM 770 CB SER A 97 -12.378 -1.949 -6.530 1.00 0.48 C ATOM 771 OG SER A 97 -12.612 -0.550 -6.513 1.00 1.46 O ATOM 0 H SER A 97 -11.737 -4.277 -6.203 1.00 0.32 H new ATOM 0 HA SER A 97 -10.814 -1.888 -5.030 1.00 0.37 H new ATOM 0 HB2 SER A 97 -11.727 -2.199 -7.368 1.00 0.48 H new ATOM 0 HB3 SER A 97 -13.320 -2.474 -6.690 1.00 0.48 H new ATOM 0 HG SER A 97 -12.619 -0.231 -5.586 1.00 1.46 H new ATOM 777 N LEU A 98 -13.269 -3.183 -3.453 1.00 0.29 N ATOM 778 CA LEU A 98 -14.216 -2.974 -2.368 1.00 0.32 C ATOM 779 C LEU A 98 -13.509 -2.540 -1.094 1.00 0.35 C ATOM 780 O LEU A 98 -13.890 -1.546 -0.477 1.00 0.43 O ATOM 781 CB LEU A 98 -15.045 -4.228 -2.115 1.00 0.35 C ATOM 782 CG LEU A 98 -16.243 -4.400 -3.048 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.065 -5.609 -2.639 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.100 -3.142 -3.046 1.00 0.67 C ATOM 0 H LEU A 98 -13.114 -4.159 -3.706 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.889 -2.173 -2.672 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.398 -5.100 -2.211 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.403 -4.209 -1.086 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.875 -4.564 -4.061 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.914 -5.717 -3.314 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.445 -6.504 -2.690 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.427 -5.475 -1.619 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.949 -3.279 -3.715 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.461 -2.949 -2.036 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.504 -2.295 -3.386 1.00 0.67 H new ATOM 796 N PHE A 99 -12.487 -3.288 -0.699 1.00 0.32 N ATOM 797 CA PHE A 99 -11.674 -2.902 0.447 1.00 0.34 C ATOM 798 C PHE A 99 -11.022 -1.551 0.196 1.00 0.34 C ATOM 799 O PHE A 99 -11.011 -0.681 1.070 1.00 0.39 O ATOM 800 CB PHE A 99 -10.597 -3.953 0.734 1.00 0.36 C ATOM 801 CG PHE A 99 -9.518 -3.457 1.658 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.813 -3.087 2.961 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.210 -3.344 1.213 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.823 -2.616 3.802 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.220 -2.872 2.050 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.526 -2.509 3.346 1.00 0.58 C ATOM 0 H PHE A 99 -12.203 -4.158 -1.150 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.327 -2.831 1.317 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.066 -4.834 1.173 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.145 -4.267 -0.207 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.827 -3.168 3.323 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -7.963 -3.628 0.201 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -9.065 -2.332 4.816 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.205 -2.787 1.691 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.751 -2.142 4.002 1.00 0.58 H new ATOM 816 N LEU A 100 -10.482 -1.390 -1.003 1.00 0.31 N ATOM 817 CA LEU A 100 -9.805 -0.162 -1.378 1.00 0.36 C ATOM 818 C LEU A 100 -10.740 1.042 -1.256 1.00 0.45 C ATOM 819 O LEU A 100 -10.401 2.027 -0.613 1.00 0.79 O ATOM 820 CB LEU A 100 -9.274 -0.286 -2.807 1.00 0.37 C ATOM 821 CG LEU A 100 -8.550 -1.603 -3.113 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.127 -1.664 -4.567 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.345 -1.786 -2.210 1.00 0.70 C ATOM 0 H LEU A 100 -10.501 -2.100 -1.735 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.970 -0.002 -0.696 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -10.108 -0.177 -3.500 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.590 0.541 -2.998 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.251 -2.416 -2.921 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.616 -2.608 -4.758 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -9.008 -1.593 -5.205 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.453 -0.836 -4.785 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.851 -2.728 -2.449 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.648 -0.962 -2.362 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.669 -1.800 -1.169 1.00 0.70 H new ATOM 835 N ALA A 101 -11.945 0.925 -1.816 1.00 0.28 N ATOM 836 CA ALA A 101 -12.896 2.041 -1.876 1.00 0.33 C ATOM 837 C ALA A 101 -13.579 2.301 -0.532 1.00 0.36 C ATOM 838 O ALA A 101 -14.551 3.054 -0.458 1.00 0.57 O ATOM 839 CB ALA A 101 -13.946 1.773 -2.945 1.00 0.36 C ATOM 0 H ALA A 101 -12.289 0.063 -2.238 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.327 2.935 -2.129 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.648 2.606 -2.983 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.459 1.664 -3.914 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.484 0.856 -2.705 1.00 0.36 H new ATOM 845 N SER A 102 -13.055 1.701 0.518 1.00 0.34 N ATOM 846 CA SER A 102 -13.631 1.810 1.840 1.00 0.36 C ATOM 847 C SER A 102 -12.819 2.785 2.684 1.00 0.36 C ATOM 848 O SER A 102 -11.680 3.126 2.347 1.00 0.46 O ATOM 849 CB SER A 102 -13.673 0.430 2.507 1.00 0.40 C ATOM 850 OG SER A 102 -14.295 0.489 3.780 1.00 1.39 O ATOM 0 H SER A 102 -12.216 1.123 0.477 1.00 0.34 H new ATOM 0 HA SER A 102 -14.650 2.188 1.756 1.00 0.36 H new ATOM 0 HB2 SER A 102 -14.214 -0.268 1.868 1.00 0.40 H new ATOM 0 HB3 SER A 102 -12.659 0.045 2.613 1.00 0.40 H new ATOM 0 HG SER A 102 -14.308 -0.406 4.179 1.00 1.39 H new ATOM 856 N ALA A 103 -13.408 3.227 3.784 1.00 0.35 N ATOM 857 CA ALA A 103 -12.756 4.165 4.680 1.00 0.36 C ATOM 858 C ALA A 103 -11.559 3.524 5.343 1.00 0.29 C ATOM 859 O ALA A 103 -10.616 4.205 5.742 1.00 0.30 O ATOM 860 CB ALA A 103 -13.728 4.638 5.734 1.00 0.44 C ATOM 0 H ALA A 103 -14.344 2.948 4.078 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.417 5.019 4.094 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.228 5.341 6.400 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.573 5.131 5.254 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.085 3.784 6.309 1.00 0.44 H new ATOM 866 N GLU A 104 -11.613 2.205 5.454 1.00 0.29 N ATOM 867 CA GLU A 104 -10.551 1.452 6.081 1.00 0.30 C ATOM 868 C GLU A 104 -9.235 1.699 5.358 1.00 0.26 C ATOM 869 O GLU A 104 -8.239 2.074 5.971 1.00 0.30 O ATOM 870 CB GLU A 104 -10.880 -0.041 6.068 1.00 0.39 C ATOM 871 CG GLU A 104 -9.830 -0.900 6.753 1.00 0.49 C ATOM 872 CD GLU A 104 -9.766 -0.669 8.250 1.00 1.02 C ATOM 873 OE1 GLU A 104 -9.378 0.440 8.678 1.00 1.81 O ATOM 874 OE2 GLU A 104 -10.110 -1.596 9.010 1.00 1.15 O ATOM 0 H GLU A 104 -12.388 1.636 5.114 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.455 1.782 7.115 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -11.841 -0.197 6.557 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -10.991 -0.371 5.035 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -10.046 -1.951 6.561 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -8.854 -0.690 6.316 1.00 0.49 H new ATOM 881 N PHE A 105 -9.249 1.523 4.044 1.00 0.22 N ATOM 882 CA PHE A 105 -8.041 1.681 3.254 1.00 0.20 C ATOM 883 C PHE A 105 -7.610 3.144 3.220 1.00 0.19 C ATOM 884 O PHE A 105 -6.414 3.446 3.197 1.00 0.16 O ATOM 885 CB PHE A 105 -8.248 1.143 1.841 1.00 0.21 C ATOM 886 CG PHE A 105 -6.976 1.086 1.055 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.846 0.515 1.612 1.00 0.18 C ATOM 888 CD2 PHE A 105 -6.903 1.600 -0.230 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.664 0.460 0.908 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.721 1.547 -0.943 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.600 0.978 -0.372 1.00 0.16 C ATOM 0 H PHE A 105 -10.079 1.272 3.507 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.245 1.103 3.723 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.682 0.145 1.896 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -8.966 1.774 1.318 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -5.891 0.107 2.611 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.778 2.046 -0.678 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.788 0.013 1.355 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.674 1.949 -1.944 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.673 0.938 -0.925 1.00 0.16 H new ATOM 901 N CYS A 106 -8.587 4.050 3.210 1.00 0.27 N ATOM 902 CA CYS A 106 -8.304 5.476 3.366 1.00 0.27 C ATOM 903 C CYS A 106 -7.456 5.716 4.620 1.00 0.27 C ATOM 904 O CYS A 106 -6.482 6.469 4.583 1.00 0.28 O ATOM 905 CB CYS A 106 -9.605 6.282 3.444 1.00 0.29 C ATOM 906 SG CYS A 106 -9.359 8.058 3.664 1.00 0.59 S ATOM 0 H CYS A 106 -9.575 3.824 3.096 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.744 5.811 2.493 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.178 6.116 2.532 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.205 5.904 4.271 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.359 8.703 3.139 1.00 0.59 H new ATOM 912 N ASN A 107 -7.823 5.058 5.721 1.00 0.28 N ATOM 913 CA ASN A 107 -7.042 5.120 6.959 1.00 0.30 C ATOM 914 C ASN A 107 -5.632 4.641 6.720 1.00 0.24 C ATOM 915 O ASN A 107 -4.677 5.348 7.011 1.00 0.23 O ATOM 916 CB ASN A 107 -7.655 4.248 8.046 1.00 0.37 C ATOM 917 CG ASN A 107 -8.971 4.784 8.563 1.00 0.46 C ATOM 918 OD1 ASN A 107 -9.207 5.992 8.578 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.842 3.888 8.989 1.00 0.64 N ATOM 0 H ASN A 107 -8.658 4.475 5.781 1.00 0.28 H new ATOM 0 HA ASN A 107 -7.041 6.161 7.282 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.808 3.242 7.654 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.953 4.164 8.875 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.749 4.188 9.347 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -9.608 2.896 8.960 1.00 0.64 H new ATOM 926 N ILE A 108 -5.522 3.439 6.172 1.00 0.21 N ATOM 927 CA ILE A 108 -4.233 2.816 5.913 1.00 0.17 C ATOM 928 C ILE A 108 -3.322 3.765 5.147 1.00 0.12 C ATOM 929 O ILE A 108 -2.193 4.018 5.553 1.00 0.12 O ATOM 930 CB ILE A 108 -4.417 1.499 5.120 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.570 0.315 6.069 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.287 1.257 4.134 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.886 0.308 6.801 1.00 0.39 C ATOM 0 H ILE A 108 -6.322 2.870 5.895 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.768 2.586 6.872 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.332 1.601 4.537 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.472 -0.611 5.503 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.758 0.332 6.795 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.462 0.321 3.603 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.246 2.078 3.419 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.341 1.197 4.672 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.931 -0.559 7.459 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -5.978 1.218 7.393 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.703 0.260 6.081 1.00 0.39 H new ATOM 945 N LEU A 109 -3.841 4.307 4.065 1.00 0.12 N ATOM 946 CA LEU A 109 -3.098 5.237 3.232 1.00 0.12 C ATOM 947 C LEU A 109 -2.754 6.520 3.969 1.00 0.13 C ATOM 948 O LEU A 109 -1.591 6.920 4.015 1.00 0.13 O ATOM 949 CB LEU A 109 -3.897 5.549 1.987 1.00 0.15 C ATOM 950 CG LEU A 109 -3.739 4.519 0.891 1.00 0.16 C ATOM 951 CD1 LEU A 109 -4.810 4.702 -0.147 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.369 4.649 0.271 1.00 0.17 C ATOM 0 H LEU A 109 -4.788 4.117 3.736 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.156 4.761 2.960 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -4.951 5.626 2.252 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.592 6.523 1.605 1.00 0.15 H new ATOM 0 HG LEU A 109 -3.841 3.520 1.315 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.687 3.956 -0.932 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.790 4.584 0.316 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.731 5.699 -0.579 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.255 3.907 -0.519 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.254 5.648 -0.150 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.608 4.487 1.034 1.00 0.17 H new ATOM 964 N SER A 110 -3.764 7.155 4.543 1.00 0.16 N ATOM 965 CA SER A 110 -3.571 8.390 5.289 1.00 0.20 C ATOM 966 C SER A 110 -2.548 8.171 6.399 1.00 0.19 C ATOM 967 O SER A 110 -1.801 9.076 6.769 1.00 0.22 O ATOM 968 CB SER A 110 -4.907 8.856 5.878 1.00 0.28 C ATOM 969 OG SER A 110 -4.867 10.221 6.266 1.00 1.18 O ATOM 0 H SER A 110 -4.731 6.834 4.506 1.00 0.16 H new ATOM 0 HA SER A 110 -3.197 9.162 4.616 1.00 0.20 H new ATOM 0 HB2 SER A 110 -5.698 8.711 5.143 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.157 8.240 6.742 1.00 0.28 H new ATOM 0 HG SER A 110 -5.737 10.482 6.635 1.00 1.18 H new ATOM 975 N ARG A 111 -2.523 6.955 6.926 1.00 0.18 N ATOM 976 CA ARG A 111 -1.585 6.584 7.958 1.00 0.19 C ATOM 977 C ARG A 111 -0.180 6.354 7.391 1.00 0.16 C ATOM 978 O ARG A 111 0.752 7.076 7.733 1.00 0.17 O ATOM 979 CB ARG A 111 -2.084 5.320 8.661 1.00 0.25 C ATOM 980 CG ARG A 111 -3.218 5.558 9.643 1.00 0.33 C ATOM 981 CD ARG A 111 -3.696 4.250 10.254 1.00 1.22 C ATOM 982 NE ARG A 111 -2.584 3.408 10.700 1.00 1.97 N ATOM 983 CZ ARG A 111 -2.305 3.155 11.976 1.00 2.79 C ATOM 984 NH1 ARG A 111 -2.991 3.746 12.946 1.00 3.10 N ATOM 985 NH2 ARG A 111 -1.319 2.326 12.283 1.00 3.73 N ATOM 0 H ARG A 111 -3.154 6.204 6.646 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.517 7.405 8.672 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.415 4.606 7.907 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.250 4.860 9.191 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.884 6.231 10.433 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -4.047 6.050 9.134 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -4.349 4.464 11.100 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.291 3.705 9.521 1.00 1.22 H new ATOM 0 HE ARG A 111 -1.986 2.989 9.988 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -3.739 4.400 12.716 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -2.770 3.546 13.922 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -0.776 1.883 11.542 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -1.103 2.130 13.260 1.00 3.73 H new ATOM 999 N VAL A 112 -0.043 5.393 6.480 1.00 0.15 N ATOM 1000 CA VAL A 112 1.280 4.945 6.041 1.00 0.14 C ATOM 1001 C VAL A 112 1.980 5.972 5.162 1.00 0.14 C ATOM 1002 O VAL A 112 3.173 6.220 5.334 1.00 0.15 O ATOM 1003 CB VAL A 112 1.237 3.584 5.309 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.675 2.503 6.219 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.439 3.679 4.025 1.00 0.15 C ATOM 0 H VAL A 112 -0.824 4.912 6.034 1.00 0.15 H new ATOM 0 HA VAL A 112 1.856 4.823 6.958 1.00 0.14 H new ATOM 0 HB VAL A 112 2.259 3.311 5.045 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.653 1.553 5.685 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.305 2.408 7.103 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.337 2.772 6.522 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.426 2.707 3.532 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.582 3.984 4.253 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.898 4.415 3.365 1.00 0.15 H new ATOM 1015 N LEU A 113 1.250 6.585 4.236 1.00 0.15 N ATOM 1016 CA LEU A 113 1.830 7.556 3.349 1.00 0.16 C ATOM 1017 C LEU A 113 2.365 8.739 4.146 1.00 0.17 C ATOM 1018 O LEU A 113 3.496 9.184 3.944 1.00 0.20 O ATOM 1019 CB LEU A 113 0.773 7.997 2.335 1.00 0.16 C ATOM 1020 CG LEU A 113 0.819 9.466 1.948 1.00 0.20 C ATOM 1021 CD1 LEU A 113 2.049 9.765 1.109 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.439 9.858 1.205 1.00 0.27 C ATOM 0 H LEU A 113 0.254 6.418 4.089 1.00 0.15 H new ATOM 0 HA LEU A 113 2.669 7.116 2.810 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.886 7.397 1.432 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.213 7.776 2.743 1.00 0.16 H new ATOM 0 HG LEU A 113 0.879 10.057 2.862 1.00 0.20 H new ATOM 0 HD11 LEU A 113 2.060 10.822 0.844 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.946 9.524 1.680 1.00 0.20 H new ATOM 0 HD13 LEU A 113 2.025 9.163 0.200 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.389 10.913 0.936 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.530 9.257 0.300 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.306 9.687 1.843 1.00 0.27 H new ATOM 1034 N SER A 114 1.558 9.214 5.078 1.00 0.17 N ATOM 1035 CA SER A 114 1.912 10.364 5.881 1.00 0.21 C ATOM 1036 C SER A 114 3.098 10.032 6.789 1.00 0.18 C ATOM 1037 O SER A 114 3.999 10.852 6.966 1.00 0.20 O ATOM 1038 CB SER A 114 0.696 10.806 6.687 1.00 0.26 C ATOM 1039 OG SER A 114 0.877 12.092 7.257 1.00 1.06 O ATOM 0 H SER A 114 0.645 8.814 5.296 1.00 0.17 H new ATOM 0 HA SER A 114 2.217 11.187 5.235 1.00 0.21 H new ATOM 0 HB2 SER A 114 -0.183 10.815 6.042 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.503 10.082 7.479 1.00 0.26 H new ATOM 0 HG SER A 114 0.076 12.341 7.764 1.00 1.06 H new ATOM 1045 N ARG A 115 3.105 8.822 7.346 1.00 0.15 N ATOM 1046 CA ARG A 115 4.226 8.350 8.139 1.00 0.16 C ATOM 1047 C ARG A 115 5.509 8.281 7.311 1.00 0.15 C ATOM 1048 O ARG A 115 6.585 8.598 7.809 1.00 0.18 O ATOM 1049 CB ARG A 115 3.904 6.983 8.731 1.00 0.20 C ATOM 1050 CG ARG A 115 2.814 7.045 9.781 1.00 0.31 C ATOM 1051 CD ARG A 115 3.287 7.802 11.002 1.00 0.53 C ATOM 1052 NE ARG A 115 2.206 8.053 11.958 1.00 0.89 N ATOM 1053 CZ ARG A 115 2.321 7.901 13.280 1.00 1.21 C ATOM 1054 NH1 ARG A 115 3.434 7.402 13.802 1.00 1.63 N ATOM 1055 NH2 ARG A 115 1.315 8.240 14.075 1.00 1.62 N ATOM 0 H ARG A 115 2.341 8.152 7.259 1.00 0.15 H new ATOM 0 HA ARG A 115 4.392 9.063 8.947 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.596 6.309 7.932 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.806 6.561 9.174 1.00 0.20 H new ATOM 0 HG2 ARG A 115 1.931 7.530 9.366 1.00 0.31 H new ATOM 0 HG3 ARG A 115 2.519 6.035 10.065 1.00 0.31 H new ATOM 0 HD2 ARG A 115 4.078 7.236 11.493 1.00 0.53 H new ATOM 0 HD3 ARG A 115 3.721 8.752 10.691 1.00 0.53 H new ATOM 0 HE ARG A 115 1.307 8.364 11.590 1.00 0.89 H new ATOM 0 HH11 ARG A 115 4.207 7.133 13.193 1.00 1.63 H new ATOM 0 HH12 ARG A 115 3.517 7.288 14.812 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.455 8.616 13.677 1.00 1.62 H new ATOM 0 HH22 ARG A 115 1.402 8.124 15.085 1.00 1.62 H new ATOM 1069 N ALA A 116 5.388 7.869 6.052 1.00 0.15 N ATOM 1070 CA ALA A 116 6.544 7.747 5.166 1.00 0.18 C ATOM 1071 C ALA A 116 7.071 9.109 4.726 1.00 0.21 C ATOM 1072 O ALA A 116 8.278 9.316 4.632 1.00 0.25 O ATOM 1073 CB ALA A 116 6.199 6.897 3.958 1.00 0.20 C ATOM 0 H ALA A 116 4.500 7.613 5.621 1.00 0.15 H new ATOM 0 HA ALA A 116 7.337 7.257 5.730 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.071 6.816 3.309 1.00 0.20 H new ATOM 0 HB2 ALA A 116 5.898 5.902 4.287 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.379 7.361 3.409 1.00 0.20 H new ATOM 1079 N ARG A 117 6.158 10.031 4.439 1.00 0.23 N ATOM 1080 CA ARG A 117 6.528 11.402 4.092 1.00 0.28 C ATOM 1081 C ARG A 117 7.165 12.090 5.292 1.00 0.29 C ATOM 1082 O ARG A 117 7.963 13.015 5.151 1.00 0.39 O ATOM 1083 CB ARG A 117 5.296 12.177 3.628 1.00 0.38 C ATOM 1084 CG ARG A 117 4.684 11.593 2.371 1.00 1.06 C ATOM 1085 CD ARG A 117 4.702 12.582 1.223 1.00 1.15 C ATOM 1086 NE ARG A 117 3.583 13.521 1.289 1.00 1.75 N ATOM 1087 CZ ARG A 117 2.930 13.975 0.216 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.337 13.634 -1.003 1.00 2.33 N ATOM 1089 NH2 ARG A 117 1.881 14.779 0.361 1.00 2.99 N ATOM 0 H ARG A 117 5.153 9.855 4.439 1.00 0.23 H new ATOM 0 HA ARG A 117 7.252 11.378 3.277 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.551 12.180 4.424 1.00 0.38 H new ATOM 0 HB3 ARG A 117 5.571 13.216 3.446 1.00 0.38 H new ATOM 0 HG2 ARG A 117 5.230 10.694 2.085 1.00 1.06 H new ATOM 0 HG3 ARG A 117 3.657 11.291 2.574 1.00 1.06 H new ATOM 0 HD2 ARG A 117 5.641 13.136 1.237 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.665 12.040 0.278 1.00 1.15 H new ATOM 0 HE ARG A 117 3.284 13.848 2.208 1.00 1.75 H new ATOM 0 HH11 ARG A 117 4.148 13.026 -1.118 1.00 2.33 H new ATOM 0 HH12 ARG A 117 2.839 13.981 -1.823 1.00 2.33 H new ATOM 0 HH21 ARG A 117 1.572 15.051 1.294 1.00 2.99 H new ATOM 0 HH22 ARG A 117 1.385 15.124 -0.461 1.00 2.99 H new ATOM 1103 N SER A 118 6.797 11.615 6.471 1.00 0.28 N ATOM 1104 CA SER A 118 7.339 12.124 7.720 1.00 0.33 C ATOM 1105 C SER A 118 8.705 11.509 7.993 1.00 0.32 C ATOM 1106 O SER A 118 9.700 12.211 8.175 1.00 0.41 O ATOM 1107 CB SER A 118 6.386 11.779 8.861 1.00 0.38 C ATOM 1108 OG SER A 118 6.626 12.572 10.008 1.00 0.62 O ATOM 0 H SER A 118 6.115 10.866 6.589 1.00 0.28 H new ATOM 0 HA SER A 118 7.450 13.206 7.645 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.357 11.921 8.530 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.495 10.726 9.119 1.00 0.38 H new ATOM 0 HG SER A 118 5.771 12.830 10.412 1.00 0.62 H new ATOM 1114 N ARG A 119 8.722 10.187 8.022 1.00 0.26 N ATOM 1115 CA ARG A 119 9.920 9.415 8.292 1.00 0.28 C ATOM 1116 C ARG A 119 10.310 8.581 7.071 1.00 0.26 C ATOM 1117 O ARG A 119 9.999 7.389 6.999 1.00 0.25 O ATOM 1118 CB ARG A 119 9.707 8.484 9.484 1.00 0.33 C ATOM 1119 CG ARG A 119 9.304 9.174 10.759 1.00 0.47 C ATOM 1120 CD ARG A 119 7.812 9.361 10.793 1.00 1.28 C ATOM 1121 NE ARG A 119 7.255 9.171 12.130 1.00 1.54 N ATOM 1122 CZ ARG A 119 6.167 9.784 12.589 1.00 2.39 C ATOM 1123 NH1 ARG A 119 5.579 10.738 11.877 1.00 3.26 N ATOM 1124 NH2 ARG A 119 5.691 9.466 13.785 1.00 2.60 N ATOM 0 H ARG A 119 7.894 9.615 7.857 1.00 0.26 H new ATOM 0 HA ARG A 119 10.721 10.117 8.522 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.940 7.754 9.224 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.628 7.929 9.663 1.00 0.33 H new ATOM 0 HG2 ARG A 119 9.625 8.585 11.618 1.00 0.47 H new ATOM 0 HG3 ARG A 119 9.802 10.141 10.832 1.00 0.47 H new ATOM 0 HD2 ARG A 119 7.566 10.362 10.439 1.00 1.28 H new ATOM 0 HD3 ARG A 119 7.345 8.657 10.105 1.00 1.28 H new ATOM 0 HE ARG A 119 7.734 8.523 12.756 1.00 1.54 H new ATOM 0 HH11 ARG A 119 5.961 11.006 10.970 1.00 3.26 H new ATOM 0 HH12 ARG A 119 4.745 11.202 12.237 1.00 3.26 H new ATOM 0 HH21 ARG A 119 6.159 8.755 14.347 1.00 2.60 H new ATOM 0 HH22 ARG A 119 4.857 9.932 14.143 1.00 2.60 H new ATOM 1138 N PRO A 120 11.009 9.197 6.109 1.00 0.29 N ATOM 1139 CA PRO A 120 11.469 8.539 4.874 1.00 0.30 C ATOM 1140 C PRO A 120 12.270 7.269 5.143 1.00 0.27 C ATOM 1141 O PRO A 120 12.240 6.321 4.360 1.00 0.28 O ATOM 1142 CB PRO A 120 12.380 9.595 4.234 1.00 0.37 C ATOM 1143 CG PRO A 120 12.675 10.559 5.328 1.00 0.38 C ATOM 1144 CD PRO A 120 11.429 10.595 6.144 1.00 0.35 C ATOM 0 HA PRO A 120 10.630 8.225 4.253 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.294 9.146 3.846 1.00 0.37 H new ATOM 0 HB3 PRO A 120 11.886 10.087 3.396 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.529 10.234 5.923 1.00 0.38 H new ATOM 0 HG3 PRO A 120 12.918 11.545 4.932 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.616 10.940 7.161 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.678 11.258 5.715 1.00 0.35 H new ATOM 1152 N ALA A 121 12.983 7.259 6.260 1.00 0.25 N ATOM 1153 CA ALA A 121 13.833 6.130 6.623 1.00 0.28 C ATOM 1154 C ALA A 121 13.027 4.852 6.865 1.00 0.27 C ATOM 1155 O ALA A 121 13.556 3.748 6.756 1.00 0.35 O ATOM 1156 CB ALA A 121 14.658 6.475 7.849 1.00 0.33 C ATOM 0 H ALA A 121 12.991 8.024 6.935 1.00 0.25 H new ATOM 0 HA ALA A 121 14.497 5.935 5.781 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.290 5.627 8.113 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.284 7.341 7.634 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.993 6.706 8.682 1.00 0.33 H new ATOM 1162 N LYS A 122 11.750 4.998 7.194 1.00 0.22 N ATOM 1163 CA LYS A 122 10.901 3.846 7.441 1.00 0.27 C ATOM 1164 C LYS A 122 9.837 3.713 6.364 1.00 0.19 C ATOM 1165 O LYS A 122 8.897 2.934 6.508 1.00 0.18 O ATOM 1166 CB LYS A 122 10.260 3.951 8.819 1.00 0.39 C ATOM 1167 CG LYS A 122 11.219 3.602 9.939 1.00 0.49 C ATOM 1168 CD LYS A 122 11.033 2.168 10.405 1.00 0.66 C ATOM 1169 CE LYS A 122 9.705 1.974 11.125 1.00 1.28 C ATOM 1170 NZ LYS A 122 9.631 2.766 12.381 1.00 1.79 N ATOM 0 H LYS A 122 11.284 5.899 7.295 1.00 0.22 H new ATOM 0 HA LYS A 122 11.521 2.950 7.411 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.890 4.966 8.966 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.397 3.287 8.865 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.245 3.745 9.599 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.064 4.281 10.777 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.082 1.498 9.547 1.00 0.66 H new ATOM 0 HD3 LYS A 122 11.851 1.893 11.071 1.00 0.66 H new ATOM 0 HE2 LYS A 122 8.889 2.265 10.464 1.00 1.28 H new ATOM 0 HE3 LYS A 122 9.568 0.917 11.354 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 8.851 2.410 12.970 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 10.527 2.676 12.901 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 9.463 3.766 12.151 1.00 1.79 H new ATOM 1184 N LEU A 123 10.012 4.469 5.280 1.00 0.17 N ATOM 1185 CA LEU A 123 9.120 4.431 4.134 1.00 0.14 C ATOM 1186 C LEU A 123 8.787 3.006 3.713 1.00 0.12 C ATOM 1187 O LEU A 123 7.636 2.696 3.409 1.00 0.12 O ATOM 1188 CB LEU A 123 9.785 5.159 2.980 1.00 0.16 C ATOM 1189 CG LEU A 123 9.185 4.900 1.609 1.00 0.14 C ATOM 1190 CD1 LEU A 123 7.917 5.701 1.404 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.206 5.225 0.555 1.00 0.21 C ATOM 0 H LEU A 123 10.784 5.128 5.177 1.00 0.17 H new ATOM 0 HA LEU A 123 8.184 4.914 4.413 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.745 6.230 3.178 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.838 4.878 2.955 1.00 0.16 H new ATOM 0 HG LEU A 123 8.913 3.847 1.533 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.512 5.494 0.414 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.184 5.422 2.161 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.141 6.764 1.489 1.00 0.15 H new ATOM 0 HD21 LEU A 123 9.781 5.041 -0.432 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.493 6.273 0.637 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.086 4.596 0.694 1.00 0.21 H new ATOM 1203 N TYR A 124 9.794 2.135 3.712 1.00 0.13 N ATOM 1204 CA TYR A 124 9.602 0.759 3.278 1.00 0.13 C ATOM 1205 C TYR A 124 8.593 0.058 4.152 1.00 0.13 C ATOM 1206 O TYR A 124 7.723 -0.606 3.639 1.00 0.14 O ATOM 1207 CB TYR A 124 10.911 -0.013 3.277 1.00 0.14 C ATOM 1208 CG TYR A 124 11.823 0.337 2.138 1.00 0.14 C ATOM 1209 CD1 TYR A 124 11.726 -0.342 0.939 1.00 0.14 C ATOM 1210 CD2 TYR A 124 12.785 1.329 2.260 1.00 0.22 C ATOM 1211 CE1 TYR A 124 12.556 -0.051 -0.106 1.00 0.19 C ATOM 1212 CE2 TYR A 124 13.626 1.631 1.208 1.00 0.26 C ATOM 1213 CZ TYR A 124 13.508 0.935 0.025 1.00 0.24 C ATOM 1214 OH TYR A 124 14.339 1.224 -1.028 1.00 0.31 O ATOM 0 H TYR A 124 10.745 2.359 4.006 1.00 0.13 H new ATOM 0 HA TYR A 124 9.224 0.791 2.256 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.432 0.173 4.216 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.692 -1.080 3.239 1.00 0.14 H new ATOM 0 HD1 TYR A 124 10.981 -1.116 0.826 1.00 0.14 H new ATOM 0 HD2 TYR A 124 12.877 1.872 3.189 1.00 0.22 H new ATOM 0 HE1 TYR A 124 12.466 -0.594 -1.035 1.00 0.19 H new ATOM 0 HE2 TYR A 124 14.370 2.407 1.311 1.00 0.26 H new ATOM 0 HH TYR A 124 14.952 1.945 -0.773 1.00 0.31 H new ATOM 1224 N VAL A 125 8.690 0.223 5.463 1.00 0.13 N ATOM 1225 CA VAL A 125 7.718 -0.388 6.367 1.00 0.14 C ATOM 1226 C VAL A 125 6.298 -0.059 5.933 1.00 0.12 C ATOM 1227 O VAL A 125 5.432 -0.928 5.894 1.00 0.14 O ATOM 1228 CB VAL A 125 7.922 0.077 7.817 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.821 -0.469 8.719 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.295 -0.348 8.302 1.00 0.23 C ATOM 0 H VAL A 125 9.420 0.767 5.923 1.00 0.13 H new ATOM 0 HA VAL A 125 7.874 -1.466 6.321 1.00 0.14 H new ATOM 0 HB VAL A 125 7.864 1.165 7.854 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.985 -0.127 9.741 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.853 -0.112 8.368 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.837 -1.559 8.694 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.436 -0.016 9.331 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.377 -1.434 8.256 1.00 0.23 H new ATOM 0 HG23 VAL A 125 10.060 0.101 7.668 1.00 0.23 H new ATOM 1240 N TYR A 126 6.092 1.189 5.559 1.00 0.11 N ATOM 1241 CA TYR A 126 4.787 1.662 5.143 1.00 0.11 C ATOM 1242 C TYR A 126 4.449 1.129 3.750 1.00 0.10 C ATOM 1243 O TYR A 126 3.299 0.801 3.465 1.00 0.11 O ATOM 1244 CB TYR A 126 4.780 3.185 5.197 1.00 0.12 C ATOM 1245 CG TYR A 126 5.309 3.695 6.518 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.788 3.220 7.714 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.347 4.617 6.577 1.00 0.17 C ATOM 1248 CE1 TYR A 126 5.281 3.650 8.929 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.845 5.050 7.790 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.309 4.565 8.961 1.00 0.20 C ATOM 1251 OH TYR A 126 6.807 4.996 10.169 1.00 0.25 O ATOM 0 H TYR A 126 6.822 1.901 5.535 1.00 0.11 H new ATOM 0 HA TYR A 126 4.014 1.291 5.816 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.387 3.582 4.383 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.765 3.551 5.045 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.982 2.501 7.693 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.771 5.001 5.661 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.863 3.271 9.850 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.652 5.767 7.820 1.00 0.20 H new ATOM 0 HH TYR A 126 7.530 5.639 10.014 1.00 0.25 H new ATOM 1261 N ILE A 127 5.468 1.035 2.900 1.00 0.11 N ATOM 1262 CA ILE A 127 5.358 0.345 1.614 1.00 0.11 C ATOM 1263 C ILE A 127 4.906 -1.094 1.839 1.00 0.11 C ATOM 1264 O ILE A 127 3.937 -1.571 1.247 1.00 0.11 O ATOM 1265 CB ILE A 127 6.728 0.315 0.889 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.149 1.726 0.477 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.682 -0.602 -0.320 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.611 1.852 0.117 1.00 0.11 C ATOM 0 H ILE A 127 6.390 1.432 3.080 1.00 0.11 H new ATOM 0 HA ILE A 127 4.633 0.883 1.003 1.00 0.11 H new ATOM 0 HB ILE A 127 7.470 -0.078 1.584 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.547 2.039 -0.376 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.926 2.413 1.293 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.655 -0.606 -0.811 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.433 -1.614 0.000 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.924 -0.246 -1.018 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.829 2.882 -0.164 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.222 1.572 0.975 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.838 1.192 -0.720 1.00 0.11 H new ATOM 1280 N ASN A 128 5.641 -1.756 2.717 1.00 0.12 N ATOM 1281 CA ASN A 128 5.411 -3.132 3.087 1.00 0.14 C ATOM 1282 C ASN A 128 4.002 -3.319 3.611 1.00 0.14 C ATOM 1283 O ASN A 128 3.281 -4.221 3.177 1.00 0.16 O ATOM 1284 CB ASN A 128 6.411 -3.541 4.172 1.00 0.20 C ATOM 1285 CG ASN A 128 7.843 -3.704 3.681 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.593 -4.503 4.215 1.00 0.50 O ATOM 1287 ND2 ASN A 128 8.240 -2.947 2.678 1.00 0.26 N ATOM 0 H ASN A 128 6.434 -1.335 3.202 1.00 0.12 H new ATOM 0 HA ASN A 128 5.541 -3.756 2.203 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.395 -2.792 4.964 1.00 0.20 H new ATOM 0 HB3 ASN A 128 6.083 -4.481 4.615 1.00 0.20 H new ATOM 0 HD21 ASN A 128 9.196 -3.021 2.330 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.591 -2.287 2.250 1.00 0.26 H new ATOM 1294 N GLU A 129 3.621 -2.461 4.556 1.00 0.13 N ATOM 1295 CA GLU A 129 2.280 -2.487 5.114 1.00 0.16 C ATOM 1296 C GLU A 129 1.262 -2.365 4.010 1.00 0.15 C ATOM 1297 O GLU A 129 0.500 -3.283 3.762 1.00 0.17 O ATOM 1298 CB GLU A 129 2.073 -1.336 6.098 1.00 0.23 C ATOM 1299 CG GLU A 129 2.779 -1.529 7.420 1.00 0.29 C ATOM 1300 CD GLU A 129 2.383 -0.492 8.453 1.00 0.60 C ATOM 1301 OE1 GLU A 129 3.005 0.594 8.476 1.00 1.03 O ATOM 1302 OE2 GLU A 129 1.450 -0.750 9.238 1.00 0.90 O ATOM 0 H GLU A 129 4.227 -1.740 4.948 1.00 0.13 H new ATOM 0 HA GLU A 129 2.156 -3.434 5.640 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.425 -0.411 5.640 1.00 0.23 H new ATOM 0 HB3 GLU A 129 1.005 -1.215 6.281 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.554 -2.524 7.805 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.856 -1.485 7.261 1.00 0.29 H new ATOM 1309 N LEU A 130 1.324 -1.244 3.319 1.00 0.14 N ATOM 1310 CA LEU A 130 0.383 -0.900 2.267 1.00 0.15 C ATOM 1311 C LEU A 130 0.210 -2.036 1.256 1.00 0.15 C ATOM 1312 O LEU A 130 -0.910 -2.379 0.890 1.00 0.18 O ATOM 1313 CB LEU A 130 0.893 0.359 1.579 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.095 1.070 0.672 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.430 1.250 1.375 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.480 2.415 0.269 1.00 0.12 C ATOM 0 H LEU A 130 2.040 -0.534 3.474 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.600 -0.728 2.706 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.221 1.060 2.346 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.772 0.096 0.990 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.265 0.467 -0.220 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.126 1.761 0.710 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.835 0.274 1.642 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.289 1.844 2.278 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.225 2.931 -0.383 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.658 3.017 1.160 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.421 2.265 -0.261 1.00 0.12 H new ATOM 1328 N CYS A 131 1.316 -2.626 0.829 1.00 0.14 N ATOM 1329 CA CYS A 131 1.280 -3.715 -0.139 1.00 0.17 C ATOM 1330 C CYS A 131 0.588 -4.953 0.439 1.00 0.18 C ATOM 1331 O CYS A 131 -0.283 -5.549 -0.201 1.00 0.21 O ATOM 1332 CB CYS A 131 2.704 -4.059 -0.582 1.00 0.20 C ATOM 1333 SG CYS A 131 2.804 -5.395 -1.791 1.00 0.53 S ATOM 0 H CYS A 131 2.253 -2.369 1.138 1.00 0.14 H new ATOM 0 HA CYS A 131 0.702 -3.387 -1.003 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.166 -3.167 -1.005 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.288 -4.335 0.296 1.00 0.20 H new ATOM 0 HG CYS A 131 4.046 -5.586 -2.125 1.00 0.53 H new ATOM 1339 N THR A 132 0.957 -5.327 1.658 1.00 0.19 N ATOM 1340 CA THR A 132 0.371 -6.491 2.304 1.00 0.23 C ATOM 1341 C THR A 132 -1.086 -6.204 2.655 1.00 0.21 C ATOM 1342 O THR A 132 -1.955 -7.068 2.542 1.00 0.22 O ATOM 1343 CB THR A 132 1.151 -6.869 3.579 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.557 -6.867 3.303 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.738 -8.246 4.079 1.00 0.36 C ATOM 0 H THR A 132 1.658 -4.841 2.217 1.00 0.19 H new ATOM 0 HA THR A 132 0.423 -7.331 1.611 1.00 0.23 H new ATOM 0 HB THR A 132 0.923 -6.134 4.351 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.905 -5.955 3.386 1.00 0.32 H new ATOM 0 HG21 THR A 132 1.302 -8.490 4.979 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.328 -8.246 4.307 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.944 -8.989 3.309 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.324 -4.959 3.037 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.643 -4.442 3.358 1.00 0.17 C ATOM 1355 C VAL A 133 -3.606 -4.682 2.208 1.00 0.18 C ATOM 1356 O VAL A 133 -4.752 -5.093 2.413 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.542 -2.925 3.659 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -3.858 -2.209 3.421 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.056 -2.687 5.086 1.00 0.18 C ATOM 0 H VAL A 133 -0.585 -4.263 3.135 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.023 -4.963 4.237 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.812 -2.508 2.965 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.741 -1.149 3.644 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.155 -2.330 2.379 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.625 -2.634 4.068 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -1.993 -1.615 5.275 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.756 -3.139 5.789 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.072 -3.137 5.215 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.120 -4.443 1.002 1.00 0.18 N ATOM 1370 CA LEU A 134 -3.923 -4.592 -0.192 1.00 0.20 C ATOM 1371 C LEU A 134 -4.495 -5.997 -0.302 1.00 0.23 C ATOM 1372 O LEU A 134 -5.703 -6.167 -0.406 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.082 -4.263 -1.423 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.612 -2.814 -1.497 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.656 -2.604 -2.653 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.799 -1.892 -1.631 1.00 0.20 C ATOM 0 H LEU A 134 -2.161 -4.142 0.827 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.761 -3.897 -0.131 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.210 -4.916 -1.437 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.664 -4.489 -2.316 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.079 -2.584 -0.574 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.339 -1.561 -2.678 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.784 -3.245 -2.525 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.156 -2.854 -3.589 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.454 -0.859 -1.683 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.349 -2.137 -2.540 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.453 -2.013 -0.767 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.645 -7.008 -0.232 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.110 -8.376 -0.423 1.00 0.29 C ATOM 1390 C LYS A 135 -4.729 -8.963 0.837 1.00 0.30 C ATOM 1391 O LYS A 135 -5.603 -9.821 0.756 1.00 0.35 O ATOM 1392 CB LYS A 135 -3.001 -9.281 -0.948 1.00 0.33 C ATOM 1393 CG LYS A 135 -3.063 -9.468 -2.454 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.456 -9.898 -2.901 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.526 -10.156 -4.401 1.00 0.91 C ATOM 1396 NZ LYS A 135 -3.825 -11.409 -4.790 1.00 1.59 N ATOM 0 H LYS A 135 -2.646 -6.914 -0.048 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.895 -8.326 -1.178 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -2.033 -8.858 -0.678 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -3.070 -10.254 -0.462 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.791 -8.536 -2.950 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.333 -10.217 -2.760 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -4.745 -10.802 -2.365 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -5.176 -9.125 -2.633 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.570 -10.215 -4.709 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -4.084 -9.314 -4.934 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -3.913 -11.552 -5.816 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -2.819 -11.337 -4.536 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.252 -12.215 -4.290 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.274 -8.506 1.994 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.744 -9.047 3.264 1.00 0.30 C ATOM 1412 C ALA A 136 -6.234 -8.803 3.469 1.00 0.31 C ATOM 1413 O ALA A 136 -6.921 -9.618 4.084 1.00 0.37 O ATOM 1414 CB ALA A 136 -3.958 -8.447 4.421 1.00 0.33 C ATOM 0 H ALA A 136 -3.581 -7.763 2.082 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.582 -10.125 3.236 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.321 -8.861 5.361 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -2.901 -8.684 4.304 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.088 -7.365 4.427 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.736 -7.684 2.964 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.100 -7.292 3.257 1.00 0.35 C ATOM 1422 C HIS A 137 -8.964 -7.208 2.006 1.00 0.35 C ATOM 1423 O HIS A 137 -10.154 -6.912 2.089 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.098 -5.964 3.999 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.185 -5.948 5.188 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.476 -6.586 6.372 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -5.951 -5.416 5.345 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.460 -6.448 7.203 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.521 -5.742 6.605 1.00 0.49 N ATOM 0 H HIS A 137 -6.224 -7.042 2.358 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.541 -8.065 3.887 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.801 -5.172 3.311 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.113 -5.738 4.326 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.405 -4.840 4.612 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.407 -6.847 8.205 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -4.623 -5.481 7.013 1.00 0.49 H new ATOM 1438 N SER A 138 -8.380 -7.473 0.851 1.00 0.31 N ATOM 1439 CA SER A 138 -9.139 -7.465 -0.382 1.00 0.33 C ATOM 1440 C SER A 138 -9.139 -8.867 -0.991 1.00 0.55 C ATOM 1441 O SER A 138 -8.645 -9.815 -0.377 1.00 1.05 O ATOM 1442 CB SER A 138 -8.592 -6.431 -1.369 1.00 0.38 C ATOM 1443 OG SER A 138 -7.476 -6.944 -2.064 1.00 1.00 O ATOM 0 H SER A 138 -7.390 -7.695 0.743 1.00 0.31 H new ATOM 0 HA SER A 138 -10.166 -7.177 -0.159 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.371 -6.151 -2.078 1.00 0.38 H new ATOM 0 HB3 SER A 138 -8.308 -5.525 -0.834 1.00 0.38 H new ATOM 0 HG SER A 138 -6.655 -6.555 -1.697 1.00 1.00 H new ATOM 1624 N SER B 27 4.488 -10.937 2.723 1.00 0.55 N ATOM 1625 CA SER B 27 4.193 -9.923 3.702 1.00 0.54 C ATOM 1626 C SER B 27 5.096 -8.725 3.452 1.00 0.44 C ATOM 1627 O SER B 27 5.502 -8.484 2.313 1.00 0.53 O ATOM 1628 CB SER B 27 4.433 -10.495 5.092 1.00 0.75 C ATOM 1629 OG SER B 27 5.774 -10.937 5.247 1.00 1.37 O ATOM 0 HA SER B 27 3.153 -9.605 3.627 1.00 0.54 H new ATOM 0 HB2 SER B 27 4.209 -9.737 5.843 1.00 0.75 H new ATOM 0 HB3 SER B 27 3.752 -11.328 5.267 1.00 0.75 H new ATOM 0 HG SER B 27 6.107 -11.277 4.391 1.00 1.37 H new ATOM 1635 N ASP B 28 5.420 -7.986 4.507 1.00 0.43 N ATOM 1636 CA ASP B 28 6.424 -6.936 4.430 1.00 0.37 C ATOM 1637 C ASP B 28 7.724 -7.505 3.870 1.00 0.33 C ATOM 1638 O ASP B 28 8.402 -6.873 3.065 1.00 0.31 O ATOM 1639 CB ASP B 28 6.651 -6.314 5.821 1.00 0.44 C ATOM 1640 CG ASP B 28 6.865 -7.346 6.910 1.00 0.95 C ATOM 1641 OD1 ASP B 28 5.891 -8.009 7.307 1.00 1.07 O ATOM 1642 OD2 ASP B 28 8.021 -7.505 7.355 1.00 1.83 O ATOM 0 H ASP B 28 4.999 -8.097 5.429 1.00 0.43 H new ATOM 0 HA ASP B 28 6.072 -6.151 3.761 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.518 -5.654 5.780 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.792 -5.695 6.080 1.00 0.44 H new ATOM 1647 N SER B 29 8.014 -8.737 4.255 1.00 0.36 N ATOM 1648 CA SER B 29 9.209 -9.445 3.815 1.00 0.34 C ATOM 1649 C SER B 29 9.325 -9.497 2.294 1.00 0.33 C ATOM 1650 O SER B 29 10.426 -9.547 1.751 1.00 0.34 O ATOM 1651 CB SER B 29 9.165 -10.854 4.368 1.00 0.39 C ATOM 1652 OG SER B 29 10.309 -11.610 4.013 1.00 1.07 O ATOM 0 H SER B 29 7.424 -9.279 4.886 1.00 0.36 H new ATOM 0 HA SER B 29 10.080 -8.906 4.186 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.083 -10.813 5.454 1.00 0.39 H new ATOM 0 HB3 SER B 29 8.271 -11.358 4.000 1.00 0.39 H new ATOM 0 HG SER B 29 10.237 -12.511 4.393 1.00 1.07 H new ATOM 1658 N GLU B 30 8.188 -9.469 1.614 1.00 0.35 N ATOM 1659 CA GLU B 30 8.154 -9.584 0.159 1.00 0.37 C ATOM 1660 C GLU B 30 8.874 -8.409 -0.495 1.00 0.34 C ATOM 1661 O GLU B 30 9.428 -8.517 -1.589 1.00 0.39 O ATOM 1662 CB GLU B 30 6.713 -9.663 -0.316 1.00 0.45 C ATOM 1663 CG GLU B 30 6.583 -9.861 -1.808 1.00 0.68 C ATOM 1664 CD GLU B 30 5.219 -10.377 -2.228 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.210 -9.941 -1.632 1.00 2.33 O ATOM 1666 OE2 GLU B 30 5.151 -11.221 -3.146 1.00 1.57 O ATOM 0 H GLU B 30 7.270 -9.367 2.048 1.00 0.35 H new ATOM 0 HA GLU B 30 8.673 -10.497 -0.133 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.214 -10.485 0.197 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.194 -8.748 -0.032 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.776 -8.914 -2.312 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.348 -10.562 -2.143 1.00 0.68 H new ATOM 1673 N LEU B 31 8.862 -7.292 0.196 1.00 0.28 N ATOM 1674 CA LEU B 31 9.603 -6.117 -0.203 1.00 0.24 C ATOM 1675 C LEU B 31 11.063 -6.317 0.140 1.00 0.25 C ATOM 1676 O LEU B 31 11.963 -6.116 -0.675 1.00 0.26 O ATOM 1677 CB LEU B 31 9.111 -4.917 0.569 1.00 0.20 C ATOM 1678 CG LEU B 31 7.710 -4.391 0.257 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.651 -3.771 -1.120 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.665 -5.470 0.418 1.00 0.24 C ATOM 0 H LEU B 31 8.332 -7.172 1.059 1.00 0.28 H new ATOM 0 HA LEU B 31 9.470 -5.959 -1.273 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.147 -5.164 1.630 1.00 0.20 H new ATOM 0 HB3 LEU B 31 9.818 -4.103 0.408 1.00 0.20 H new ATOM 0 HG LEU B 31 7.486 -3.609 0.982 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.642 -3.407 -1.312 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.354 -2.940 -1.175 1.00 0.19 H new ATOM 0 HD13 LEU B 31 7.915 -4.519 -1.867 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.681 -5.061 0.188 1.00 0.24 H new ATOM 0 HD22 LEU B 31 6.884 -6.293 -0.263 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.675 -5.836 1.445 1.00 0.24 H new ATOM 1692 N GLU B 32 11.251 -6.722 1.385 1.00 0.26 N ATOM 1693 CA GLU B 32 12.570 -6.956 1.975 1.00 0.29 C ATOM 1694 C GLU B 32 13.405 -7.915 1.139 1.00 0.33 C ATOM 1695 O GLU B 32 14.630 -7.951 1.256 1.00 0.38 O ATOM 1696 CB GLU B 32 12.437 -7.533 3.383 1.00 0.29 C ATOM 1697 CG GLU B 32 11.336 -6.917 4.233 1.00 0.26 C ATOM 1698 CD GLU B 32 11.500 -7.282 5.694 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.268 -8.453 6.048 1.00 0.59 O ATOM 1700 OE2 GLU B 32 11.814 -6.386 6.506 1.00 0.47 O ATOM 0 H GLU B 32 10.482 -6.902 2.030 1.00 0.26 H new ATOM 0 HA GLU B 32 13.071 -5.989 2.010 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.256 -8.605 3.304 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.388 -7.408 3.901 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.352 -5.833 4.123 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.364 -7.259 3.877 1.00 0.26 H new ATOM 1707 N GLN B 33 12.721 -8.702 0.324 1.00 0.35 N ATOM 1708 CA GLN B 33 13.365 -9.657 -0.571 1.00 0.40 C ATOM 1709 C GLN B 33 14.491 -8.999 -1.342 1.00 0.39 C ATOM 1710 O GLN B 33 15.590 -9.546 -1.456 1.00 0.48 O ATOM 1711 CB GLN B 33 12.359 -10.224 -1.565 1.00 0.43 C ATOM 1712 CG GLN B 33 11.185 -10.922 -0.929 1.00 0.47 C ATOM 1713 CD GLN B 33 11.596 -12.106 -0.087 1.00 0.57 C ATOM 1714 OE1 GLN B 33 11.748 -13.220 -0.587 1.00 0.66 O ATOM 1715 NE2 GLN B 33 11.739 -11.878 1.201 1.00 0.57 N ATOM 0 H GLN B 33 11.703 -8.699 0.262 1.00 0.35 H new ATOM 0 HA GLN B 33 13.768 -10.462 0.044 1.00 0.40 H new ATOM 0 HB2 GLN B 33 11.988 -9.413 -2.192 1.00 0.43 H new ATOM 0 HB3 GLN B 33 12.872 -10.926 -2.222 1.00 0.43 H new ATOM 0 HG2 GLN B 33 10.639 -10.212 -0.308 1.00 0.47 H new ATOM 0 HG3 GLN B 33 10.501 -11.256 -1.709 1.00 0.47 H new ATOM 0 HE21 GLN B 33 11.603 -10.937 1.571 1.00 0.57 H new ATOM 0 HE22 GLN B 33 11.986 -12.642 1.830 1.00 0.57 H new ATOM 1724 N TYR B 34 14.209 -7.818 -1.863 1.00 0.32 N ATOM 1725 CA TYR B 34 15.170 -7.123 -2.696 1.00 0.32 C ATOM 1726 C TYR B 34 15.481 -5.705 -2.210 1.00 0.30 C ATOM 1727 O TYR B 34 16.518 -5.151 -2.571 1.00 0.37 O ATOM 1728 CB TYR B 34 14.686 -7.088 -4.149 1.00 0.32 C ATOM 1729 CG TYR B 34 13.179 -7.064 -4.325 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.369 -6.261 -3.536 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.567 -7.842 -5.303 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.011 -6.232 -3.705 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.197 -7.818 -5.479 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.421 -7.012 -4.677 1.00 0.34 C ATOM 1735 OH TYR B 34 9.057 -6.978 -4.855 1.00 0.40 O ATOM 0 H TYR B 34 13.328 -7.324 -1.724 1.00 0.32 H new ATOM 0 HA TYR B 34 16.101 -7.686 -2.628 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.107 -6.208 -4.635 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.083 -7.960 -4.669 1.00 0.32 H new ATOM 0 HD1 TYR B 34 12.820 -5.645 -2.772 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.173 -8.475 -5.935 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.402 -5.598 -3.077 1.00 0.26 H new ATOM 0 HE2 TYR B 34 10.737 -8.429 -6.242 1.00 0.42 H new ATOM 0 HH TYR B 34 8.672 -6.270 -4.298 1.00 0.40 H new ATOM 1745 N PHE B 35 14.613 -5.105 -1.399 1.00 0.27 N ATOM 1746 CA PHE B 35 14.850 -3.732 -0.974 1.00 0.26 C ATOM 1747 C PHE B 35 14.250 -3.418 0.392 1.00 0.25 C ATOM 1748 O PHE B 35 13.163 -3.880 0.722 1.00 0.25 O ATOM 1749 CB PHE B 35 14.340 -2.734 -2.031 1.00 0.25 C ATOM 1750 CG PHE B 35 12.895 -2.859 -2.436 1.00 0.21 C ATOM 1751 CD1 PHE B 35 11.882 -2.751 -1.509 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.556 -3.062 -3.764 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.567 -2.849 -1.880 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.233 -3.163 -4.148 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.236 -3.057 -3.202 1.00 0.18 C ATOM 0 H PHE B 35 13.763 -5.534 -1.033 1.00 0.27 H new ATOM 0 HA PHE B 35 15.930 -3.624 -0.874 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.501 -1.725 -1.652 1.00 0.25 H new ATOM 0 HB3 PHE B 35 14.955 -2.841 -2.925 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.129 -2.586 -0.471 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.335 -3.142 -4.508 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.789 -2.763 -1.136 1.00 0.16 H new ATOM 0 HE2 PHE B 35 10.981 -3.324 -5.186 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.200 -3.137 -3.495 1.00 0.18 H new ATOM 1765 N THR B 36 14.991 -2.631 1.175 1.00 0.27 N ATOM 1766 CA THR B 36 14.527 -2.096 2.457 1.00 0.27 C ATOM 1767 C THR B 36 15.436 -0.952 2.908 1.00 0.32 C ATOM 1768 O THR B 36 16.245 -0.451 2.128 1.00 0.45 O ATOM 1769 CB THR B 36 14.469 -3.170 3.567 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.550 -4.095 3.417 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.135 -3.893 3.546 1.00 0.27 C ATOM 0 H THR B 36 15.940 -2.344 0.934 1.00 0.27 H new ATOM 0 HA THR B 36 13.512 -1.733 2.297 1.00 0.27 H new ATOM 0 HB THR B 36 14.568 -2.676 4.533 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.504 -4.770 4.126 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.116 -4.644 4.335 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.330 -3.176 3.708 1.00 0.27 H new ATOM 0 HG23 THR B 36 12.999 -4.379 2.580 1.00 0.27 H new ATOM 1779 N ALA B 37 15.296 -0.540 4.162 1.00 0.32 N ATOM 1780 CA ALA B 37 16.078 0.566 4.706 1.00 0.35 C ATOM 1781 C ALA B 37 16.844 0.116 5.947 1.00 0.43 C ATOM 1782 O ALA B 37 17.131 -1.072 6.100 1.00 0.53 O ATOM 1783 CB ALA B 37 15.164 1.736 5.035 1.00 0.29 C ATOM 0 H ALA B 37 14.644 -0.958 4.826 1.00 0.32 H new ATOM 0 HA ALA B 37 16.802 0.889 3.957 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.755 2.557 5.440 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.656 2.067 4.129 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.424 1.424 5.772 1.00 0.29 H new ATOM 1789 N ARG B 38 17.171 1.067 6.821 1.00 0.44 N ATOM 1790 CA ARG B 38 17.898 0.771 8.055 1.00 0.52 C ATOM 1791 C ARG B 38 17.104 -0.195 8.927 1.00 0.56 C ATOM 1792 O ARG B 38 17.657 -1.148 9.478 1.00 0.67 O ATOM 1793 CB ARG B 38 18.193 2.066 8.837 1.00 0.57 C ATOM 1794 CG ARG B 38 17.019 2.582 9.664 1.00 0.67 C ATOM 1795 CD ARG B 38 16.671 4.010 9.326 1.00 0.93 C ATOM 1796 NE ARG B 38 17.736 4.932 9.716 1.00 1.60 N ATOM 1797 CZ ARG B 38 17.640 5.815 10.711 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.499 5.961 11.382 1.00 2.75 N ATOM 1799 NH2 ARG B 38 18.687 6.563 11.032 1.00 2.94 N ATOM 0 H ARG B 38 16.943 2.053 6.696 1.00 0.44 H new ATOM 0 HA ARG B 38 18.845 0.303 7.785 1.00 0.52 H new ATOM 0 HB2 ARG B 38 19.040 1.891 9.500 1.00 0.57 H new ATOM 0 HB3 ARG B 38 18.494 2.841 8.133 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.149 1.947 9.494 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.263 2.510 10.724 1.00 0.67 H new ATOM 0 HD2 ARG B 38 16.489 4.097 8.255 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.746 4.288 9.830 1.00 0.93 H new ATOM 0 HE ARG B 38 18.611 4.898 9.192 1.00 1.60 H new ATOM 0 HH11 ARG B 38 15.687 5.394 11.137 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.437 6.639 12.141 1.00 2.75 H new ATOM 0 HH21 ARG B 38 19.562 6.462 10.518 1.00 2.94 H new ATOM 0 HH22 ARG B 38 18.617 7.239 11.792 1.00 2.94 H new ATOM 1813 N TRP B 39 15.796 0.057 8.999 1.00 0.54 N ATOM 1814 CA TRP B 39 14.871 -0.700 9.829 1.00 0.64 C ATOM 1815 C TRP B 39 15.463 -1.031 11.197 1.00 0.85 C ATOM 1816 O TRP B 39 15.618 -0.095 12.007 1.00 1.41 O ATOM 1817 CB TRP B 39 14.433 -1.955 9.090 1.00 0.60 C ATOM 1818 CG TRP B 39 13.590 -1.639 7.908 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.792 -0.644 7.009 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.410 -2.314 7.506 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.798 -0.656 6.063 1.00 0.23 N ATOM 1822 CE2 TRP B 39 11.940 -1.684 6.346 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.707 -3.395 8.014 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.794 -2.108 5.692 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.574 -3.806 7.362 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.128 -3.168 6.212 1.00 0.25 C ATOM 1827 OXT TRP B 39 15.757 -2.218 11.465 1.00 1.45 O ATOM 0 H TRP B 39 15.347 0.806 8.472 1.00 0.54 H new ATOM 0 HA TRP B 39 13.996 -0.079 10.020 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.313 -2.513 8.769 1.00 0.60 H new ATOM 0 HB3 TRP B 39 13.877 -2.601 9.770 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.615 0.055 7.034 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.713 -0.008 5.280 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.045 -3.903 8.905 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.444 -1.611 4.799 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.016 -4.645 7.751 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.233 -3.523 5.722 1.00 0.25 H new