USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1242 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 7 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 157 LYS NZ :NH3+ 154:sc= 2.09 (180deg=0.632) USER MOD Set 2.1: A 138 THR OG1 : rot -37:sc= 0.368 USER MOD Set 2.2: A 140 THR OG1 : rot 54:sc= 1.15 USER MOD Set 3.1: A 79 SER OG : rot 24:sc= 0.0144 USER MOD Set 3.2: A 105 SER OG : rot 170:sc= 1.27 USER MOD Set 4.1: A 62 TYR OH : rot 52:sc= 0.317 USER MOD Set 4.2: A 70 GLN : amide:sc= 1.05 K(o=2.4,f=0.95) USER MOD Set 4.3: A 100 SER OG : rot 161:sc= 1.07 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0681 K(o=-0.068,f=-0.85) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= 0.797 (180deg=0.531) USER MOD Single : A 25 GLN : amide:sc= 0.705 K(o=0.71,f=0) USER MOD Single : A 31 SER OG : rot -87:sc= 1.35 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 1.18 (180deg=1.04) USER MOD Single : A 45 THR OG1 : rot -131:sc= 1.21 USER MOD Single : A 47 CYS SG : rot 88:sc= 0.246 USER MOD Single : A 51 CYS SG : rot 132:sc= 0.135 USER MOD Single : A 53 THR OG1 : rot 77:sc=0.000564 USER MOD Single : A 54 THR OG1 : rot -29:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 168:sc= 0.683 (180deg=0.267) USER MOD Single : A 64 LYS NZ :NH3+ -171:sc= -0.375 (180deg=-0.451) USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 1.26 (180deg=0.998) USER MOD Single : A 74 GLN : amide:sc= 0.153 X(o=0.15,f=-0.06) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -171:sc= 1.05 (180deg=0.983) USER MOD Single : A 98 HIS : no HE2:sc= -0.453 K(o=-0.45,f=-2.7) USER MOD Single : A 107 SER OG : rot 78:sc= 1.21 USER MOD Single : A 116 GLN : amide:sc= 0.922 K(o=0.92,f=-7.6!) USER MOD Single : A 117 THR OG1 : rot 82:sc= 0.965 USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 179:sc= 0.303 (180deg=0.272) USER MOD Single : A 137 HIS : no HE2:sc= -2.21! C(o=-2.2!,f=-3.8!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ 164:sc= 0.781 (180deg=0.209) USER MOD Single : A 153 TYR OH : rot 140:sc= 1.32 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot -60:sc= 0.692 USER MOD Single : A 169 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.312 3.902 5.653 1.00 2.09 N ATOM 90 CA TYR A 7 15.411 2.499 5.193 1.00 1.99 C ATOM 91 C TYR A 7 14.661 2.169 3.884 1.00 1.78 C ATOM 92 O TYR A 7 14.759 1.035 3.413 1.00 1.96 O ATOM 93 CB TYR A 7 15.026 1.518 6.323 1.00 2.31 C ATOM 94 CG TYR A 7 15.614 0.114 6.291 1.00 2.03 C ATOM 95 CD1 TYR A 7 16.974 -0.098 5.981 1.00 2.58 C ATOM 96 CD2 TYR A 7 14.819 -0.979 6.691 1.00 2.90 C ATOM 97 CE1 TYR A 7 17.525 -1.392 6.033 1.00 3.25 C ATOM 98 CE2 TYR A 7 15.365 -2.275 6.752 1.00 2.95 C ATOM 99 CZ TYR A 7 16.719 -2.489 6.415 1.00 2.90 C ATOM 100 OH TYR A 7 17.248 -3.742 6.448 1.00 3.74 O ATOM 0 HA TYR A 7 16.463 2.368 4.938 1.00 1.99 H new ATOM 0 HB2 TYR A 7 15.309 1.975 7.271 1.00 2.31 H new ATOM 0 HB3 TYR A 7 13.940 1.424 6.326 1.00 2.31 H new ATOM 0 HD1 TYR A 7 17.597 0.739 5.702 1.00 2.58 H new ATOM 0 HD2 TYR A 7 13.783 -0.821 6.953 1.00 2.90 H new ATOM 0 HE1 TYR A 7 18.564 -1.547 5.781 1.00 3.25 H new ATOM 0 HE2 TYR A 7 14.747 -3.107 7.057 1.00 2.95 H new ATOM 0 HH TYR A 7 16.560 -4.380 6.732 1.00 3.74 H new ATOM 110 N GLY A 8 13.969 3.127 3.257 1.00 1.34 N ATOM 111 CA GLY A 8 13.467 3.002 1.886 1.00 1.06 C ATOM 112 C GLY A 8 14.450 3.545 0.846 1.00 1.28 C ATOM 113 O GLY A 8 15.444 4.199 1.168 1.00 1.73 O ATOM 0 H GLY A 8 13.740 4.020 3.693 1.00 1.34 H new ATOM 0 HA2 GLY A 8 13.261 1.953 1.673 1.00 1.06 H new ATOM 0 HA3 GLY A 8 12.521 3.536 1.800 1.00 1.06 H new ATOM 117 N THR A 9 14.149 3.290 -0.431 1.00 1.13 N ATOM 118 CA THR A 9 14.909 3.800 -1.583 1.00 1.39 C ATOM 119 C THR A 9 14.264 5.097 -2.037 1.00 1.55 C ATOM 120 O THR A 9 13.189 5.086 -2.643 1.00 1.43 O ATOM 121 CB THR A 9 14.919 2.797 -2.743 1.00 1.52 C ATOM 122 OG1 THR A 9 15.121 1.491 -2.262 1.00 1.61 O ATOM 123 CG2 THR A 9 16.026 3.108 -3.749 1.00 1.91 C ATOM 0 H THR A 9 13.354 2.711 -0.701 1.00 1.13 H new ATOM 0 HA THR A 9 15.944 3.962 -1.281 1.00 1.39 H new ATOM 0 HB THR A 9 13.951 2.877 -3.237 1.00 1.52 H new ATOM 0 HG1 THR A 9 15.123 0.862 -3.014 1.00 1.61 H new ATOM 0 HG21 THR A 9 16.001 2.376 -4.556 1.00 1.91 H new ATOM 0 HG22 THR A 9 15.874 4.106 -4.160 1.00 1.91 H new ATOM 0 HG23 THR A 9 16.994 3.065 -3.250 1.00 1.91 H new ATOM 131 N ARG A 10 14.885 6.233 -1.723 1.00 1.43 N ATOM 132 CA ARG A 10 14.317 7.529 -2.089 1.00 1.38 C ATOM 133 C ARG A 10 14.539 7.846 -3.564 1.00 1.60 C ATOM 134 O ARG A 10 15.666 7.865 -4.054 1.00 1.90 O ATOM 135 CB ARG A 10 14.776 8.653 -1.148 1.00 1.62 C ATOM 136 CG ARG A 10 14.179 9.987 -1.614 1.00 1.69 C ATOM 137 CD ARG A 10 14.160 11.065 -0.528 1.00 2.60 C ATOM 138 NE ARG A 10 14.018 12.416 -1.103 1.00 2.78 N ATOM 139 CZ ARG A 10 13.083 12.855 -1.941 1.00 3.29 C ATOM 140 NH1 ARG A 10 12.024 12.143 -2.269 1.00 4.04 N ATOM 141 NH2 ARG A 10 13.233 14.055 -2.460 1.00 3.80 N ATOM 0 H ARG A 10 15.772 6.283 -1.222 1.00 1.43 H new ATOM 0 HA ARG A 10 13.238 7.460 -1.954 1.00 1.38 H new ATOM 0 HB2 ARG A 10 14.461 8.438 -0.127 1.00 1.62 H new ATOM 0 HB3 ARG A 10 15.864 8.713 -1.140 1.00 1.62 H new ATOM 0 HG2 ARG A 10 14.751 10.353 -2.467 1.00 1.69 H new ATOM 0 HG3 ARG A 10 13.160 9.817 -1.963 1.00 1.69 H new ATOM 0 HD2 ARG A 10 13.337 10.874 0.160 1.00 2.60 H new ATOM 0 HD3 ARG A 10 15.080 11.012 0.054 1.00 2.60 H new ATOM 0 HE ARG A 10 14.724 13.097 -0.824 1.00 2.78 H new ATOM 0 HH11 ARG A 10 11.894 11.211 -1.875 1.00 4.04 H new ATOM 0 HH12 ARG A 10 11.334 12.524 -2.917 1.00 4.04 H new ATOM 0 HH21 ARG A 10 14.048 14.618 -2.216 1.00 3.80 H new ATOM 0 HH22 ARG A 10 12.534 14.422 -3.106 1.00 3.80 H new ATOM 155 N LEU A 11 13.440 8.176 -4.246 1.00 1.25 N ATOM 156 CA LEU A 11 13.479 8.664 -5.625 1.00 1.39 C ATOM 157 C LEU A 11 13.788 10.163 -5.637 1.00 2.03 C ATOM 158 O LEU A 11 13.172 10.932 -4.904 1.00 2.58 O ATOM 159 CB LEU A 11 12.159 8.349 -6.352 1.00 1.10 C ATOM 160 CG LEU A 11 11.808 6.846 -6.429 1.00 1.01 C ATOM 161 CD1 LEU A 11 10.537 6.671 -7.267 1.00 0.98 C ATOM 162 CD2 LEU A 11 12.939 6.005 -7.039 1.00 1.36 C ATOM 0 H LEU A 11 12.499 8.112 -3.858 1.00 1.25 H new ATOM 0 HA LEU A 11 14.274 8.149 -6.164 1.00 1.39 H new ATOM 0 HB2 LEU A 11 11.348 8.872 -5.846 1.00 1.10 H new ATOM 0 HB3 LEU A 11 12.213 8.748 -7.365 1.00 1.10 H new ATOM 0 HG LEU A 11 11.655 6.492 -5.410 1.00 1.01 H new ATOM 0 HD11 LEU A 11 10.283 5.613 -7.326 1.00 0.98 H new ATOM 0 HD12 LEU A 11 9.716 7.216 -6.801 1.00 0.98 H new ATOM 0 HD13 LEU A 11 10.707 7.060 -8.271 1.00 0.98 H new ATOM 0 HD21 LEU A 11 12.638 4.958 -7.069 1.00 1.36 H new ATOM 0 HD22 LEU A 11 13.145 6.352 -8.051 1.00 1.36 H new ATOM 0 HD23 LEU A 11 13.837 6.107 -6.430 1.00 1.36 H new ATOM 174 N LEU A 12 14.740 10.574 -6.477 1.00 1.88 N ATOM 175 CA LEU A 12 15.102 11.984 -6.677 1.00 2.25 C ATOM 176 C LEU A 12 14.239 12.655 -7.757 1.00 2.32 C ATOM 177 O LEU A 12 13.817 13.791 -7.579 1.00 2.70 O ATOM 178 CB LEU A 12 16.601 12.096 -6.992 1.00 2.76 C ATOM 179 CG LEU A 12 17.523 11.561 -5.872 1.00 3.10 C ATOM 180 CD1 LEU A 12 18.962 11.930 -6.232 1.00 3.43 C ATOM 181 CD2 LEU A 12 17.202 12.126 -4.476 1.00 4.63 C ATOM 0 H LEU A 12 15.290 9.931 -7.046 1.00 1.88 H new ATOM 0 HA LEU A 12 14.900 12.524 -5.752 1.00 2.25 H new ATOM 0 HB2 LEU A 12 16.810 11.550 -7.912 1.00 2.76 H new ATOM 0 HB3 LEU A 12 16.845 13.142 -7.180 1.00 2.76 H new ATOM 0 HG LEU A 12 17.369 10.484 -5.812 1.00 3.10 H new ATOM 0 HD11 LEU A 12 19.636 11.564 -5.457 1.00 3.43 H new ATOM 0 HD12 LEU A 12 19.226 11.476 -7.187 1.00 3.43 H new ATOM 0 HD13 LEU A 12 19.051 13.014 -6.309 1.00 3.43 H new ATOM 0 HD21 LEU A 12 17.891 11.703 -3.745 1.00 4.63 H new ATOM 0 HD22 LEU A 12 17.308 13.211 -4.489 1.00 4.63 H new ATOM 0 HD23 LEU A 12 16.179 11.864 -4.204 1.00 4.63 H new ATOM 193 N ASN A 13 13.935 11.926 -8.836 1.00 1.92 N ATOM 194 CA ASN A 13 12.939 12.294 -9.850 1.00 1.84 C ATOM 195 C ASN A 13 11.599 11.581 -9.549 1.00 1.73 C ATOM 196 O ASN A 13 11.515 10.370 -9.775 1.00 1.91 O ATOM 197 CB ASN A 13 13.495 11.898 -11.231 1.00 2.05 C ATOM 198 CG ASN A 13 12.529 12.166 -12.383 1.00 2.34 C ATOM 199 OD1 ASN A 13 11.541 12.870 -12.255 1.00 3.28 O ATOM 200 ND2 ASN A 13 12.790 11.612 -13.550 1.00 2.67 N ATOM 0 H ASN A 13 14.390 11.035 -9.035 1.00 1.92 H new ATOM 0 HA ASN A 13 12.747 13.367 -9.837 1.00 1.84 H new ATOM 0 HB2 ASN A 13 14.421 12.445 -11.410 1.00 2.05 H new ATOM 0 HB3 ASN A 13 13.748 10.838 -11.220 1.00 2.05 H new ATOM 0 HD21 ASN A 13 12.167 11.773 -14.342 1.00 2.67 H new ATOM 0 HD22 ASN A 13 13.615 11.023 -13.662 1.00 2.67 H new ATOM 207 N PRO A 14 10.580 12.278 -9.005 1.00 1.44 N ATOM 208 CA PRO A 14 9.346 11.643 -8.574 1.00 1.28 C ATOM 209 C PRO A 14 8.341 11.533 -9.717 1.00 1.33 C ATOM 210 O PRO A 14 7.710 12.498 -10.146 1.00 1.57 O ATOM 211 CB PRO A 14 8.845 12.497 -7.416 1.00 1.42 C ATOM 212 CG PRO A 14 9.308 13.905 -7.796 1.00 1.55 C ATOM 213 CD PRO A 14 10.628 13.653 -8.522 1.00 1.55 C ATOM 0 HA PRO A 14 9.500 10.612 -8.256 1.00 1.28 H new ATOM 0 HB2 PRO A 14 7.761 12.443 -7.315 1.00 1.42 H new ATOM 0 HB3 PRO A 14 9.270 12.176 -6.465 1.00 1.42 H new ATOM 0 HG2 PRO A 14 8.585 14.407 -8.438 1.00 1.55 H new ATOM 0 HG3 PRO A 14 9.445 14.535 -6.917 1.00 1.55 H new ATOM 0 HD2 PRO A 14 10.754 14.351 -9.350 1.00 1.55 H new ATOM 0 HD3 PRO A 14 11.474 13.799 -7.850 1.00 1.55 H new ATOM 221 N LYS A 15 8.166 10.305 -10.191 1.00 1.04 N ATOM 222 CA LYS A 15 7.272 10.001 -11.306 1.00 1.07 C ATOM 223 C LYS A 15 5.795 10.158 -10.885 1.00 1.25 C ATOM 224 O LYS A 15 5.399 9.550 -9.888 1.00 1.33 O ATOM 225 CB LYS A 15 7.565 8.575 -11.773 1.00 1.19 C ATOM 226 CG LYS A 15 6.850 8.206 -13.087 1.00 1.39 C ATOM 227 CD LYS A 15 6.629 6.696 -13.246 1.00 1.70 C ATOM 228 CE LYS A 15 5.465 6.225 -12.359 1.00 1.97 C ATOM 229 NZ LYS A 15 5.142 4.796 -12.581 1.00 2.57 N ATOM 0 H LYS A 15 8.642 9.487 -9.812 1.00 1.04 H new ATOM 0 HA LYS A 15 7.444 10.700 -12.125 1.00 1.07 H new ATOM 0 HB2 LYS A 15 8.640 8.458 -11.907 1.00 1.19 H new ATOM 0 HB3 LYS A 15 7.263 7.875 -10.994 1.00 1.19 H new ATOM 0 HG2 LYS A 15 5.887 8.715 -13.125 1.00 1.39 H new ATOM 0 HG3 LYS A 15 7.437 8.572 -13.929 1.00 1.39 H new ATOM 0 HD2 LYS A 15 6.417 6.462 -14.289 1.00 1.70 H new ATOM 0 HD3 LYS A 15 7.539 6.159 -12.977 1.00 1.70 H new ATOM 0 HE2 LYS A 15 5.722 6.380 -11.311 1.00 1.97 H new ATOM 0 HE3 LYS A 15 4.584 6.832 -12.565 1.00 1.97 H new ATOM 0 HZ1 LYS A 15 4.150 4.620 -12.323 1.00 2.57 H new ATOM 0 HZ2 LYS A 15 5.286 4.559 -13.583 1.00 2.57 H new ATOM 0 HZ3 LYS A 15 5.763 4.204 -11.993 1.00 2.57 H new ATOM 243 N PRO A 16 4.965 10.914 -11.622 1.00 1.01 N ATOM 244 CA PRO A 16 3.548 11.068 -11.315 1.00 1.07 C ATOM 245 C PRO A 16 2.817 9.742 -11.566 1.00 1.17 C ATOM 246 O PRO A 16 3.261 8.931 -12.380 1.00 1.09 O ATOM 247 CB PRO A 16 3.061 12.213 -12.207 1.00 1.20 C ATOM 248 CG PRO A 16 4.007 12.178 -13.408 1.00 1.24 C ATOM 249 CD PRO A 16 5.309 11.595 -12.857 1.00 1.12 C ATOM 0 HA PRO A 16 3.354 11.310 -10.270 1.00 1.07 H new ATOM 0 HB2 PRO A 16 2.025 12.068 -12.512 1.00 1.20 H new ATOM 0 HB3 PRO A 16 3.110 13.171 -11.689 1.00 1.20 H new ATOM 0 HG2 PRO A 16 3.605 11.561 -14.211 1.00 1.24 H new ATOM 0 HG3 PRO A 16 4.162 13.175 -13.820 1.00 1.24 H new ATOM 0 HD2 PRO A 16 5.757 10.903 -13.570 1.00 1.12 H new ATOM 0 HD3 PRO A 16 6.040 12.382 -12.675 1.00 1.12 H new ATOM 257 N VAL A 17 1.712 9.522 -10.848 1.00 0.78 N ATOM 258 CA VAL A 17 0.912 8.285 -10.835 1.00 0.74 C ATOM 259 C VAL A 17 -0.537 8.596 -10.431 1.00 1.13 C ATOM 260 O VAL A 17 -0.818 9.645 -9.854 1.00 1.28 O ATOM 261 CB VAL A 17 1.481 7.200 -9.879 1.00 0.71 C ATOM 262 CG1 VAL A 17 2.759 6.532 -10.416 1.00 0.80 C ATOM 263 CG2 VAL A 17 1.764 7.719 -8.462 1.00 0.85 C ATOM 0 H VAL A 17 1.328 10.235 -10.228 1.00 0.78 H new ATOM 0 HA VAL A 17 0.952 7.884 -11.848 1.00 0.74 H new ATOM 0 HB VAL A 17 0.683 6.459 -9.828 1.00 0.71 H new ATOM 0 HG11 VAL A 17 3.106 5.784 -9.703 1.00 0.80 H new ATOM 0 HG12 VAL A 17 2.545 6.051 -11.370 1.00 0.80 H new ATOM 0 HG13 VAL A 17 3.533 7.287 -10.556 1.00 0.80 H new ATOM 0 HG21 VAL A 17 2.159 6.908 -7.850 1.00 0.85 H new ATOM 0 HG22 VAL A 17 2.494 8.527 -8.509 1.00 0.85 H new ATOM 0 HG23 VAL A 17 0.840 8.091 -8.019 1.00 0.85 H new ATOM 273 N ASP A 18 -1.442 7.658 -10.708 1.00 0.79 N ATOM 274 CA ASP A 18 -2.875 7.701 -10.402 1.00 0.72 C ATOM 275 C ASP A 18 -3.427 6.255 -10.358 1.00 0.99 C ATOM 276 O ASP A 18 -2.680 5.301 -10.573 1.00 1.71 O ATOM 277 CB ASP A 18 -3.579 8.606 -11.435 1.00 0.93 C ATOM 278 CG ASP A 18 -5.074 8.815 -11.185 1.00 1.14 C ATOM 279 OD1 ASP A 18 -5.473 9.244 -10.072 1.00 1.89 O ATOM 280 OD2 ASP A 18 -5.864 8.520 -12.108 1.00 2.05 O ATOM 0 H ASP A 18 -1.180 6.793 -11.181 1.00 0.79 H new ATOM 0 HA ASP A 18 -3.065 8.136 -9.421 1.00 0.72 H new ATOM 0 HB2 ASP A 18 -3.086 9.578 -11.443 1.00 0.93 H new ATOM 0 HB3 ASP A 18 -3.447 8.174 -12.427 1.00 0.93 H new ATOM 285 N PHE A 19 -4.727 6.077 -10.095 1.00 0.72 N ATOM 286 CA PHE A 19 -5.455 4.831 -10.365 1.00 0.74 C ATOM 287 C PHE A 19 -6.970 5.051 -10.416 1.00 1.61 C ATOM 288 O PHE A 19 -7.482 6.046 -9.900 1.00 1.88 O ATOM 289 CB PHE A 19 -5.098 3.700 -9.369 1.00 0.90 C ATOM 290 CG PHE A 19 -5.401 3.904 -7.886 1.00 1.14 C ATOM 291 CD1 PHE A 19 -6.722 4.059 -7.413 1.00 2.57 C ATOM 292 CD2 PHE A 19 -4.352 3.827 -6.949 1.00 1.97 C ATOM 293 CE1 PHE A 19 -6.987 4.183 -6.038 1.00 2.70 C ATOM 294 CE2 PHE A 19 -4.619 3.941 -5.573 1.00 1.95 C ATOM 295 CZ PHE A 19 -5.933 4.132 -5.116 1.00 1.50 C ATOM 0 H PHE A 19 -5.311 6.804 -9.683 1.00 0.72 H new ATOM 0 HA PHE A 19 -5.128 4.505 -11.352 1.00 0.74 H new ATOM 0 HB2 PHE A 19 -5.620 2.799 -9.692 1.00 0.90 H new ATOM 0 HB3 PHE A 19 -4.030 3.501 -9.464 1.00 0.90 H new ATOM 0 HD1 PHE A 19 -7.540 4.083 -8.117 1.00 2.57 H new ATOM 0 HD2 PHE A 19 -3.338 3.680 -7.289 1.00 1.97 H new ATOM 0 HE1 PHE A 19 -8.001 4.317 -5.693 1.00 2.70 H new ATOM 0 HE2 PHE A 19 -3.808 3.881 -4.863 1.00 1.95 H new ATOM 0 HZ PHE A 19 -6.130 4.239 -4.060 1.00 1.50 H new ATOM 305 N ALA A 20 -7.696 4.052 -10.927 1.00 0.79 N ATOM 306 CA ALA A 20 -9.096 3.801 -10.598 1.00 0.77 C ATOM 307 C ALA A 20 -9.221 2.377 -10.022 1.00 0.87 C ATOM 308 O ALA A 20 -8.961 1.398 -10.712 1.00 0.91 O ATOM 309 CB ALA A 20 -9.938 3.991 -11.864 1.00 0.85 C ATOM 0 H ALA A 20 -7.315 3.382 -11.595 1.00 0.79 H new ATOM 0 HA ALA A 20 -9.461 4.499 -9.845 1.00 0.77 H new ATOM 0 HB1 ALA A 20 -10.987 3.807 -11.634 1.00 0.85 H new ATOM 0 HB2 ALA A 20 -9.820 5.011 -12.230 1.00 0.85 H new ATOM 0 HB3 ALA A 20 -9.606 3.290 -12.630 1.00 0.85 H new ATOM 315 N LEU A 21 -9.604 2.284 -8.749 1.00 0.75 N ATOM 316 CA LEU A 21 -9.896 1.055 -8.004 1.00 0.73 C ATOM 317 C LEU A 21 -11.345 1.120 -7.502 1.00 1.03 C ATOM 318 O LEU A 21 -12.032 2.116 -7.720 1.00 1.30 O ATOM 319 CB LEU A 21 -8.905 0.922 -6.822 1.00 0.77 C ATOM 320 CG LEU A 21 -8.056 -0.361 -6.785 1.00 0.83 C ATOM 321 CD1 LEU A 21 -8.887 -1.652 -6.753 1.00 1.08 C ATOM 322 CD2 LEU A 21 -7.067 -0.399 -7.953 1.00 1.27 C ATOM 0 H LEU A 21 -9.727 3.116 -8.172 1.00 0.75 H new ATOM 0 HA LEU A 21 -9.781 0.181 -8.645 1.00 0.73 H new ATOM 0 HB2 LEU A 21 -8.231 1.778 -6.843 1.00 0.77 H new ATOM 0 HB3 LEU A 21 -9.471 0.985 -5.892 1.00 0.77 H new ATOM 0 HG LEU A 21 -7.507 -0.322 -5.844 1.00 0.83 H new ATOM 0 HD11 LEU A 21 -8.220 -2.514 -6.728 1.00 1.08 H new ATOM 0 HD12 LEU A 21 -9.519 -1.656 -5.865 1.00 1.08 H new ATOM 0 HD13 LEU A 21 -9.513 -1.704 -7.644 1.00 1.08 H new ATOM 0 HD21 LEU A 21 -6.480 -1.316 -7.903 1.00 1.27 H new ATOM 0 HD22 LEU A 21 -7.615 -0.370 -8.895 1.00 1.27 H new ATOM 0 HD23 LEU A 21 -6.401 0.462 -7.894 1.00 1.27 H new ATOM 334 N GLU A 22 -11.785 0.102 -6.776 1.00 0.75 N ATOM 335 CA GLU A 22 -13.051 0.091 -6.063 1.00 0.79 C ATOM 336 C GLU A 22 -12.801 -0.312 -4.601 1.00 1.05 C ATOM 337 O GLU A 22 -11.791 -0.942 -4.279 1.00 1.28 O ATOM 338 CB GLU A 22 -14.015 -0.799 -6.861 1.00 0.95 C ATOM 339 CG GLU A 22 -15.396 -0.990 -6.236 1.00 1.49 C ATOM 340 CD GLU A 22 -16.475 -0.837 -7.299 1.00 2.48 C ATOM 341 OE1 GLU A 22 -16.735 0.331 -7.667 1.00 3.76 O ATOM 342 OE2 GLU A 22 -16.995 -1.877 -7.755 1.00 3.01 O ATOM 0 H GLU A 22 -11.255 -0.762 -6.665 1.00 0.75 H new ATOM 0 HA GLU A 22 -13.527 1.069 -5.994 1.00 0.79 H new ATOM 0 HB2 GLU A 22 -14.140 -0.370 -7.855 1.00 0.95 H new ATOM 0 HB3 GLU A 22 -13.555 -1.778 -6.992 1.00 0.95 H new ATOM 0 HG2 GLU A 22 -15.463 -1.977 -5.777 1.00 1.49 H new ATOM 0 HG3 GLU A 22 -15.549 -0.258 -5.443 1.00 1.49 H new ATOM 349 N GLY A 23 -13.677 0.136 -3.701 1.00 0.71 N ATOM 350 CA GLY A 23 -13.724 -0.205 -2.272 1.00 0.62 C ATOM 351 C GLY A 23 -15.141 -0.622 -1.851 1.00 0.70 C ATOM 352 O GLY A 23 -16.035 -0.654 -2.700 1.00 0.84 O ATOM 0 H GLY A 23 -14.419 0.786 -3.962 1.00 0.71 H new ATOM 0 HA2 GLY A 23 -13.026 -1.016 -2.065 1.00 0.62 H new ATOM 0 HA3 GLY A 23 -13.402 0.651 -1.679 1.00 0.62 H new ATOM 356 N PRO A 24 -15.397 -0.915 -0.560 1.00 0.58 N ATOM 357 CA PRO A 24 -16.708 -1.330 -0.026 1.00 0.75 C ATOM 358 C PRO A 24 -17.720 -0.163 0.066 1.00 1.05 C ATOM 359 O PRO A 24 -18.369 0.056 1.090 1.00 1.27 O ATOM 360 CB PRO A 24 -16.370 -1.935 1.339 1.00 0.83 C ATOM 361 CG PRO A 24 -15.249 -1.011 1.794 1.00 0.78 C ATOM 362 CD PRO A 24 -14.421 -0.871 0.520 1.00 0.60 C ATOM 0 HA PRO A 24 -17.214 -2.041 -0.680 1.00 0.75 H new ATOM 0 HB2 PRO A 24 -17.221 -1.918 2.020 1.00 0.83 H new ATOM 0 HB3 PRO A 24 -16.044 -2.972 1.262 1.00 0.83 H new ATOM 0 HG2 PRO A 24 -15.628 -0.050 2.143 1.00 0.78 H new ATOM 0 HG3 PRO A 24 -14.671 -1.442 2.612 1.00 0.78 H new ATOM 0 HD2 PRO A 24 -13.862 0.065 0.511 1.00 0.60 H new ATOM 0 HD3 PRO A 24 -13.693 -1.677 0.430 1.00 0.60 H new ATOM 370 N GLN A 25 -17.804 0.630 -1.003 1.00 1.06 N ATOM 371 CA GLN A 25 -18.546 1.888 -1.108 1.00 1.24 C ATOM 372 C GLN A 25 -18.612 2.459 -2.538 1.00 1.49 C ATOM 373 O GLN A 25 -19.203 3.523 -2.704 1.00 1.77 O ATOM 374 CB GLN A 25 -17.971 2.917 -0.100 1.00 1.43 C ATOM 375 CG GLN A 25 -18.916 3.185 1.088 1.00 1.96 C ATOM 376 CD GLN A 25 -18.167 3.287 2.415 1.00 2.41 C ATOM 377 OE1 GLN A 25 -17.980 4.348 2.984 1.00 2.67 O ATOM 378 NE2 GLN A 25 -17.711 2.180 2.959 1.00 3.55 N ATOM 0 H GLN A 25 -17.326 0.397 -1.873 1.00 1.06 H new ATOM 0 HA GLN A 25 -19.583 1.671 -0.852 1.00 1.24 H new ATOM 0 HB2 GLN A 25 -17.015 2.553 0.277 1.00 1.43 H new ATOM 0 HB3 GLN A 25 -17.773 3.855 -0.619 1.00 1.43 H new ATOM 0 HG2 GLN A 25 -19.464 4.110 0.911 1.00 1.96 H new ATOM 0 HG3 GLN A 25 -19.653 2.385 1.150 1.00 1.96 H new ATOM 0 HE21 GLN A 25 -17.860 1.284 2.494 1.00 3.55 H new ATOM 0 HE22 GLN A 25 -17.208 2.217 3.846 1.00 3.55 H new ATOM 387 N GLY A 26 -18.057 1.795 -3.569 1.00 1.23 N ATOM 388 CA GLY A 26 -17.975 2.332 -4.934 1.00 1.32 C ATOM 389 C GLY A 26 -16.535 2.615 -5.390 1.00 1.24 C ATOM 390 O GLY A 26 -15.582 2.287 -4.673 1.00 1.33 O ATOM 0 H GLY A 26 -17.651 0.864 -3.474 1.00 1.23 H new ATOM 0 HA2 GLY A 26 -18.435 1.624 -5.624 1.00 1.32 H new ATOM 0 HA3 GLY A 26 -18.554 3.254 -4.990 1.00 1.32 H new ATOM 394 N PRO A 27 -16.364 3.195 -6.592 1.00 1.10 N ATOM 395 CA PRO A 27 -15.064 3.454 -7.194 1.00 1.16 C ATOM 396 C PRO A 27 -14.279 4.533 -6.430 1.00 1.16 C ATOM 397 O PRO A 27 -14.832 5.517 -5.945 1.00 1.03 O ATOM 398 CB PRO A 27 -15.346 3.841 -8.649 1.00 1.30 C ATOM 399 CG PRO A 27 -16.762 4.411 -8.596 1.00 1.15 C ATOM 400 CD PRO A 27 -17.429 3.575 -7.504 1.00 1.11 C ATOM 0 HA PRO A 27 -14.422 2.574 -7.149 1.00 1.16 H new ATOM 0 HB2 PRO A 27 -14.630 4.577 -9.015 1.00 1.30 H new ATOM 0 HB3 PRO A 27 -15.285 2.979 -9.313 1.00 1.30 H new ATOM 0 HG2 PRO A 27 -16.761 5.472 -8.348 1.00 1.15 H new ATOM 0 HG3 PRO A 27 -17.274 4.308 -9.553 1.00 1.15 H new ATOM 0 HD2 PRO A 27 -18.200 4.148 -6.988 1.00 1.11 H new ATOM 0 HD3 PRO A 27 -17.915 2.695 -7.926 1.00 1.11 H new ATOM 408 N VAL A 28 -12.962 4.336 -6.350 1.00 0.79 N ATOM 409 CA VAL A 28 -11.996 5.163 -5.611 1.00 0.71 C ATOM 410 C VAL A 28 -10.823 5.467 -6.540 1.00 0.95 C ATOM 411 O VAL A 28 -10.315 4.572 -7.214 1.00 0.90 O ATOM 412 CB VAL A 28 -11.484 4.430 -4.343 1.00 0.90 C ATOM 413 CG1 VAL A 28 -10.462 5.288 -3.570 1.00 1.18 C ATOM 414 CG2 VAL A 28 -12.629 4.065 -3.384 1.00 1.67 C ATOM 0 H VAL A 28 -12.512 3.553 -6.824 1.00 0.79 H new ATOM 0 HA VAL A 28 -12.482 6.083 -5.288 1.00 0.71 H new ATOM 0 HB VAL A 28 -11.008 3.516 -4.698 1.00 0.90 H new ATOM 0 HG11 VAL A 28 -10.124 4.744 -2.688 1.00 1.18 H new ATOM 0 HG12 VAL A 28 -9.608 5.504 -4.212 1.00 1.18 H new ATOM 0 HG13 VAL A 28 -10.930 6.223 -3.263 1.00 1.18 H new ATOM 0 HG21 VAL A 28 -12.223 3.554 -2.511 1.00 1.67 H new ATOM 0 HG22 VAL A 28 -13.142 4.973 -3.067 1.00 1.67 H new ATOM 0 HG23 VAL A 28 -13.335 3.409 -3.893 1.00 1.67 H new ATOM 424 N ARG A 29 -10.367 6.721 -6.572 1.00 0.66 N ATOM 425 CA ARG A 29 -9.210 7.140 -7.376 1.00 0.68 C ATOM 426 C ARG A 29 -8.078 7.639 -6.481 1.00 1.11 C ATOM 427 O ARG A 29 -8.351 8.279 -5.469 1.00 1.37 O ATOM 428 CB ARG A 29 -9.618 8.241 -8.367 1.00 0.79 C ATOM 429 CG ARG A 29 -10.531 7.698 -9.478 1.00 0.91 C ATOM 430 CD ARG A 29 -11.004 8.784 -10.460 1.00 1.42 C ATOM 431 NE ARG A 29 -9.921 9.645 -10.970 1.00 2.32 N ATOM 432 CZ ARG A 29 -8.873 9.296 -11.711 1.00 3.21 C ATOM 433 NH1 ARG A 29 -8.618 8.061 -12.073 1.00 3.60 N ATOM 434 NH2 ARG A 29 -7.998 10.205 -12.060 1.00 4.66 N ATOM 0 H ARG A 29 -10.790 7.481 -6.039 1.00 0.66 H new ATOM 0 HA ARG A 29 -8.854 6.274 -7.934 1.00 0.68 H new ATOM 0 HB2 ARG A 29 -10.132 9.040 -7.832 1.00 0.79 H new ATOM 0 HB3 ARG A 29 -8.725 8.679 -8.812 1.00 0.79 H new ATOM 0 HG2 ARG A 29 -9.998 6.924 -10.031 1.00 0.91 H new ATOM 0 HG3 ARG A 29 -11.401 7.224 -9.025 1.00 0.91 H new ATOM 0 HD2 ARG A 29 -11.501 8.305 -11.304 1.00 1.42 H new ATOM 0 HD3 ARG A 29 -11.748 9.408 -9.965 1.00 1.42 H new ATOM 0 HE ARG A 29 -9.983 10.633 -10.723 1.00 2.32 H new ATOM 0 HH11 ARG A 29 -9.241 7.306 -11.785 1.00 3.60 H new ATOM 0 HH12 ARG A 29 -7.797 7.856 -12.643 1.00 3.60 H new ATOM 0 HH21 ARG A 29 -8.123 11.173 -11.764 1.00 4.66 H new ATOM 0 HH22 ARG A 29 -7.192 9.945 -12.628 1.00 4.66 H new ATOM 448 N LEU A 30 -6.815 7.426 -6.869 1.00 0.58 N ATOM 449 CA LEU A 30 -5.672 7.954 -6.107 1.00 0.59 C ATOM 450 C LEU A 30 -5.733 9.480 -6.008 1.00 0.98 C ATOM 451 O LEU A 30 -5.476 10.045 -4.950 1.00 1.14 O ATOM 452 CB LEU A 30 -4.358 7.499 -6.755 1.00 0.66 C ATOM 453 CG LEU A 30 -3.090 7.902 -5.971 1.00 0.94 C ATOM 454 CD1 LEU A 30 -3.087 7.369 -4.527 1.00 2.03 C ATOM 455 CD2 LEU A 30 -1.858 7.369 -6.704 1.00 1.75 C ATOM 0 H LEU A 30 -6.557 6.895 -7.701 1.00 0.58 H new ATOM 0 HA LEU A 30 -5.718 7.558 -5.093 1.00 0.59 H new ATOM 0 HB2 LEU A 30 -4.376 6.414 -6.862 1.00 0.66 H new ATOM 0 HB3 LEU A 30 -4.298 7.917 -7.760 1.00 0.66 H new ATOM 0 HG LEU A 30 -3.075 8.990 -5.915 1.00 0.94 H new ATOM 0 HD11 LEU A 30 -2.172 7.683 -4.025 1.00 2.03 H new ATOM 0 HD12 LEU A 30 -3.949 7.765 -3.991 1.00 2.03 H new ATOM 0 HD13 LEU A 30 -3.137 6.280 -4.541 1.00 2.03 H new ATOM 0 HD21 LEU A 30 -0.959 7.650 -6.156 1.00 1.75 H new ATOM 0 HD22 LEU A 30 -1.917 6.283 -6.772 1.00 1.75 H new ATOM 0 HD23 LEU A 30 -1.819 7.794 -7.707 1.00 1.75 H new ATOM 467 N SER A 31 -6.153 10.145 -7.081 1.00 0.74 N ATOM 468 CA SER A 31 -6.401 11.593 -7.121 1.00 0.91 C ATOM 469 C SER A 31 -7.490 12.109 -6.147 1.00 1.18 C ATOM 470 O SER A 31 -7.653 13.320 -6.037 1.00 1.59 O ATOM 471 CB SER A 31 -6.642 12.054 -8.572 1.00 1.14 C ATOM 472 OG SER A 31 -7.234 11.052 -9.390 1.00 1.39 O ATOM 0 H SER A 31 -6.337 9.685 -7.972 1.00 0.74 H new ATOM 0 HA SER A 31 -5.490 12.059 -6.744 1.00 0.91 H new ATOM 0 HB2 SER A 31 -7.286 12.934 -8.564 1.00 1.14 H new ATOM 0 HB3 SER A 31 -5.692 12.358 -9.012 1.00 1.14 H new ATOM 0 HG SER A 31 -6.532 10.489 -9.777 1.00 1.39 H new ATOM 478 N GLN A 32 -8.176 11.253 -5.372 1.00 0.81 N ATOM 479 CA GLN A 32 -8.991 11.691 -4.226 1.00 0.93 C ATOM 480 C GLN A 32 -8.130 12.191 -3.053 1.00 1.32 C ATOM 481 O GLN A 32 -8.647 12.920 -2.210 1.00 1.46 O ATOM 482 CB GLN A 32 -9.869 10.531 -3.704 1.00 1.02 C ATOM 483 CG GLN A 32 -10.977 10.048 -4.653 1.00 1.29 C ATOM 484 CD GLN A 32 -12.084 11.074 -4.873 1.00 1.96 C ATOM 485 OE1 GLN A 32 -12.177 11.680 -5.925 1.00 2.79 O ATOM 486 NE2 GLN A 32 -12.960 11.313 -3.914 1.00 2.34 N ATOM 0 H GLN A 32 -8.182 10.244 -5.520 1.00 0.81 H new ATOM 0 HA GLN A 32 -9.609 12.511 -4.591 1.00 0.93 H new ATOM 0 HB2 GLN A 32 -9.221 9.686 -3.474 1.00 1.02 H new ATOM 0 HB3 GLN A 32 -10.330 10.843 -2.767 1.00 1.02 H new ATOM 0 HG2 GLN A 32 -10.534 9.793 -5.615 1.00 1.29 H new ATOM 0 HG3 GLN A 32 -11.415 9.134 -4.251 1.00 1.29 H new ATOM 0 HE21 GLN A 32 -12.895 10.813 -3.027 1.00 2.34 H new ATOM 0 HE22 GLN A 32 -13.702 11.998 -4.060 1.00 2.34 H new ATOM 495 N PHE A 33 -6.853 11.787 -2.960 1.00 0.89 N ATOM 496 CA PHE A 33 -6.041 11.910 -1.736 1.00 1.07 C ATOM 497 C PHE A 33 -4.693 12.630 -1.941 1.00 2.05 C ATOM 498 O PHE A 33 -3.831 12.583 -1.066 1.00 2.58 O ATOM 499 CB PHE A 33 -5.789 10.491 -1.186 1.00 1.21 C ATOM 500 CG PHE A 33 -7.010 9.594 -1.048 1.00 1.13 C ATOM 501 CD1 PHE A 33 -8.134 10.026 -0.318 1.00 2.40 C ATOM 502 CD2 PHE A 33 -7.013 8.315 -1.641 1.00 1.81 C ATOM 503 CE1 PHE A 33 -9.256 9.188 -0.188 1.00 2.49 C ATOM 504 CE2 PHE A 33 -8.129 7.473 -1.498 1.00 1.85 C ATOM 505 CZ PHE A 33 -9.255 7.910 -0.777 1.00 1.48 C ATOM 0 H PHE A 33 -6.350 11.362 -3.739 1.00 0.89 H new ATOM 0 HA PHE A 33 -6.602 12.529 -1.036 1.00 1.07 H new ATOM 0 HB2 PHE A 33 -5.071 9.994 -1.839 1.00 1.21 H new ATOM 0 HB3 PHE A 33 -5.319 10.582 -0.207 1.00 1.21 H new ATOM 0 HD1 PHE A 33 -8.134 11.003 0.143 1.00 2.40 H new ATOM 0 HD2 PHE A 33 -6.156 7.981 -2.207 1.00 1.81 H new ATOM 0 HE1 PHE A 33 -10.120 9.526 0.365 1.00 2.49 H new ATOM 0 HE2 PHE A 33 -8.122 6.489 -1.942 1.00 1.85 H new ATOM 0 HZ PHE A 33 -10.116 7.266 -0.676 1.00 1.48 H new ATOM 515 N GLN A 34 -4.475 13.231 -3.111 1.00 0.92 N ATOM 516 CA GLN A 34 -3.134 13.399 -3.685 1.00 1.07 C ATOM 517 C GLN A 34 -2.167 14.320 -2.923 1.00 1.41 C ATOM 518 O GLN A 34 -0.964 14.090 -3.012 1.00 2.16 O ATOM 519 CB GLN A 34 -3.238 13.811 -5.163 1.00 1.16 C ATOM 520 CG GLN A 34 -3.884 15.182 -5.417 1.00 1.53 C ATOM 521 CD GLN A 34 -3.810 15.571 -6.893 1.00 1.66 C ATOM 522 OE1 GLN A 34 -4.095 14.786 -7.786 1.00 1.76 O ATOM 523 NE2 GLN A 34 -3.388 16.776 -7.210 1.00 2.54 N ATOM 0 H GLN A 34 -5.221 13.616 -3.690 1.00 0.92 H new ATOM 0 HA GLN A 34 -2.674 12.416 -3.588 1.00 1.07 H new ATOM 0 HB2 GLN A 34 -2.237 13.814 -5.594 1.00 1.16 H new ATOM 0 HB3 GLN A 34 -3.812 13.053 -5.695 1.00 1.16 H new ATOM 0 HG2 GLN A 34 -4.926 15.159 -5.097 1.00 1.53 H new ATOM 0 HG3 GLN A 34 -3.382 15.939 -4.814 1.00 1.53 H new ATOM 0 HE21 GLN A 34 -3.147 17.441 -6.476 1.00 2.54 H new ATOM 0 HE22 GLN A 34 -3.302 17.045 -8.190 1.00 2.54 H new ATOM 532 N ASP A 35 -2.638 15.324 -2.174 1.00 1.07 N ATOM 533 CA ASP A 35 -1.772 16.202 -1.360 1.00 1.33 C ATOM 534 C ASP A 35 -1.125 15.485 -0.154 1.00 1.43 C ATOM 535 O ASP A 35 -0.173 15.980 0.455 1.00 1.77 O ATOM 536 CB ASP A 35 -2.587 17.416 -0.872 1.00 1.69 C ATOM 537 CG ASP A 35 -3.629 17.057 0.194 1.00 2.20 C ATOM 538 OD1 ASP A 35 -4.581 16.306 -0.124 1.00 3.01 O ATOM 539 OD2 ASP A 35 -3.520 17.488 1.367 1.00 3.31 O ATOM 0 H ASP A 35 -3.629 15.555 -2.111 1.00 1.07 H new ATOM 0 HA ASP A 35 -0.952 16.521 -2.004 1.00 1.33 H new ATOM 0 HB2 ASP A 35 -1.905 18.164 -0.467 1.00 1.69 H new ATOM 0 HB3 ASP A 35 -3.091 17.873 -1.724 1.00 1.69 H new ATOM 544 N LYS A 36 -1.667 14.321 0.212 1.00 1.06 N ATOM 545 CA LYS A 36 -1.286 13.568 1.407 1.00 1.11 C ATOM 546 C LYS A 36 -0.028 12.711 1.173 1.00 1.33 C ATOM 547 O LYS A 36 0.482 12.578 0.058 1.00 1.43 O ATOM 548 CB LYS A 36 -2.499 12.735 1.891 1.00 1.27 C ATOM 549 CG LYS A 36 -3.786 13.520 2.046 1.00 1.42 C ATOM 550 CD LYS A 36 -3.695 14.492 3.218 1.00 1.55 C ATOM 551 CE LYS A 36 -5.109 14.972 3.460 1.00 1.62 C ATOM 552 NZ LYS A 36 -5.518 16.000 2.465 1.00 2.06 N ATOM 0 H LYS A 36 -2.402 13.865 -0.329 1.00 1.06 H new ATOM 0 HA LYS A 36 -1.013 14.266 2.198 1.00 1.11 H new ATOM 0 HB2 LYS A 36 -2.668 11.922 1.185 1.00 1.27 H new ATOM 0 HB3 LYS A 36 -2.250 12.279 2.849 1.00 1.27 H new ATOM 0 HG2 LYS A 36 -3.994 14.070 1.128 1.00 1.42 H new ATOM 0 HG3 LYS A 36 -4.618 12.834 2.202 1.00 1.42 H new ATOM 0 HD2 LYS A 36 -3.291 14.001 4.103 1.00 1.55 H new ATOM 0 HD3 LYS A 36 -3.033 15.326 2.985 1.00 1.55 H new ATOM 0 HE2 LYS A 36 -5.794 14.126 3.412 1.00 1.62 H new ATOM 0 HE3 LYS A 36 -5.186 15.387 4.465 1.00 1.62 H new ATOM 0 HZ1 LYS A 36 -6.402 16.451 2.775 1.00 2.06 H new ATOM 0 HZ2 LYS A 36 -4.772 16.720 2.383 1.00 2.06 H new ATOM 0 HZ3 LYS A 36 -5.666 15.548 1.540 1.00 2.06 H new ATOM 566 N VAL A 37 0.462 12.091 2.239 1.00 1.09 N ATOM 567 CA VAL A 37 1.544 11.102 2.228 1.00 1.09 C ATOM 568 C VAL A 37 0.840 9.750 2.189 1.00 1.30 C ATOM 569 O VAL A 37 0.384 9.233 3.208 1.00 1.69 O ATOM 570 CB VAL A 37 2.501 11.205 3.451 1.00 1.14 C ATOM 571 CG1 VAL A 37 3.852 10.593 3.056 1.00 1.26 C ATOM 572 CG2 VAL A 37 2.696 12.645 3.951 1.00 1.37 C ATOM 0 H VAL A 37 0.104 12.268 3.178 1.00 1.09 H new ATOM 0 HA VAL A 37 2.197 11.265 1.371 1.00 1.09 H new ATOM 0 HB VAL A 37 2.048 10.660 4.279 1.00 1.14 H new ATOM 0 HG11 VAL A 37 4.540 10.654 3.899 1.00 1.26 H new ATOM 0 HG12 VAL A 37 3.711 9.549 2.778 1.00 1.26 H new ATOM 0 HG13 VAL A 37 4.266 11.141 2.210 1.00 1.26 H new ATOM 0 HG21 VAL A 37 3.374 12.645 4.805 1.00 1.37 H new ATOM 0 HG22 VAL A 37 3.119 13.254 3.152 1.00 1.37 H new ATOM 0 HG23 VAL A 37 1.734 13.059 4.252 1.00 1.37 H new ATOM 582 N VAL A 38 0.634 9.256 0.969 1.00 0.72 N ATOM 583 CA VAL A 38 -0.256 8.121 0.705 1.00 0.66 C ATOM 584 C VAL A 38 0.580 6.866 0.470 1.00 0.88 C ATOM 585 O VAL A 38 1.472 6.855 -0.387 1.00 0.79 O ATOM 586 CB VAL A 38 -1.224 8.394 -0.463 1.00 0.94 C ATOM 587 CG1 VAL A 38 -2.188 7.225 -0.680 1.00 1.12 C ATOM 588 CG2 VAL A 38 -2.054 9.665 -0.239 1.00 1.45 C ATOM 0 H VAL A 38 1.080 9.631 0.132 1.00 0.72 H new ATOM 0 HA VAL A 38 -0.886 7.967 1.581 1.00 0.66 H new ATOM 0 HB VAL A 38 -0.596 8.524 -1.344 1.00 0.94 H new ATOM 0 HG11 VAL A 38 -2.855 7.453 -1.511 1.00 1.12 H new ATOM 0 HG12 VAL A 38 -1.620 6.323 -0.907 1.00 1.12 H new ATOM 0 HG13 VAL A 38 -2.776 7.066 0.224 1.00 1.12 H new ATOM 0 HG21 VAL A 38 -2.722 9.818 -1.087 1.00 1.45 H new ATOM 0 HG22 VAL A 38 -2.643 9.559 0.672 1.00 1.45 H new ATOM 0 HG23 VAL A 38 -1.388 10.522 -0.143 1.00 1.45 H new ATOM 598 N LEU A 39 0.283 5.827 1.250 1.00 0.59 N ATOM 599 CA LEU A 39 0.969 4.534 1.235 1.00 0.59 C ATOM 600 C LEU A 39 0.140 3.478 0.493 1.00 1.10 C ATOM 601 O LEU A 39 -0.993 3.196 0.875 1.00 1.22 O ATOM 602 CB LEU A 39 1.215 4.096 2.694 1.00 0.67 C ATOM 603 CG LEU A 39 2.626 4.380 3.236 1.00 0.82 C ATOM 604 CD1 LEU A 39 2.621 4.248 4.766 1.00 1.66 C ATOM 605 CD2 LEU A 39 3.636 3.380 2.654 1.00 1.56 C ATOM 0 H LEU A 39 -0.471 5.864 1.936 1.00 0.59 H new ATOM 0 HA LEU A 39 1.918 4.633 0.708 1.00 0.59 H new ATOM 0 HB2 LEU A 39 0.490 4.598 3.334 1.00 0.67 H new ATOM 0 HB3 LEU A 39 1.022 3.026 2.772 1.00 0.67 H new ATOM 0 HG LEU A 39 2.914 5.390 2.946 1.00 0.82 H new ATOM 0 HD11 LEU A 39 3.620 4.449 5.152 1.00 1.66 H new ATOM 0 HD12 LEU A 39 1.917 4.964 5.191 1.00 1.66 H new ATOM 0 HD13 LEU A 39 2.322 3.237 5.043 1.00 1.66 H new ATOM 0 HD21 LEU A 39 4.629 3.595 3.048 1.00 1.56 H new ATOM 0 HD22 LEU A 39 3.347 2.367 2.933 1.00 1.56 H new ATOM 0 HD23 LEU A 39 3.650 3.467 1.568 1.00 1.56 H new ATOM 617 N LEU A 40 0.734 2.839 -0.517 1.00 0.51 N ATOM 618 CA LEU A 40 0.183 1.642 -1.150 1.00 0.50 C ATOM 619 C LEU A 40 0.975 0.414 -0.723 1.00 0.98 C ATOM 620 O LEU A 40 2.208 0.431 -0.692 1.00 1.19 O ATOM 621 CB LEU A 40 0.191 1.758 -2.681 1.00 0.64 C ATOM 622 CG LEU A 40 -1.084 2.390 -3.261 1.00 0.83 C ATOM 623 CD1 LEU A 40 -1.072 3.916 -3.114 1.00 2.65 C ATOM 624 CD2 LEU A 40 -1.198 1.953 -4.726 1.00 2.01 C ATOM 0 H LEU A 40 1.620 3.142 -0.921 1.00 0.51 H new ATOM 0 HA LEU A 40 -0.852 1.541 -0.825 1.00 0.50 H new ATOM 0 HB2 LEU A 40 1.052 2.353 -2.987 1.00 0.64 H new ATOM 0 HB3 LEU A 40 0.321 0.765 -3.111 1.00 0.64 H new ATOM 0 HG LEU A 40 -1.959 2.047 -2.708 1.00 0.83 H new ATOM 0 HD11 LEU A 40 -1.989 4.329 -3.535 1.00 2.65 H new ATOM 0 HD12 LEU A 40 -1.006 4.179 -2.058 1.00 2.65 H new ATOM 0 HD13 LEU A 40 -0.212 4.326 -3.644 1.00 2.65 H new ATOM 0 HD21 LEU A 40 -2.096 2.387 -5.166 1.00 2.01 H new ATOM 0 HD22 LEU A 40 -0.322 2.295 -5.277 1.00 2.01 H new ATOM 0 HD23 LEU A 40 -1.257 0.866 -4.778 1.00 2.01 H new ATOM 636 N PHE A 41 0.245 -0.668 -0.472 1.00 0.56 N ATOM 637 CA PHE A 41 0.773 -2.001 -0.201 1.00 0.57 C ATOM 638 C PHE A 41 -0.068 -3.043 -0.950 1.00 1.34 C ATOM 639 O PHE A 41 -1.285 -3.125 -0.751 1.00 1.64 O ATOM 640 CB PHE A 41 0.764 -2.223 1.320 1.00 0.57 C ATOM 641 CG PHE A 41 1.236 -3.580 1.814 1.00 0.74 C ATOM 642 CD1 PHE A 41 2.292 -4.265 1.177 1.00 1.83 C ATOM 643 CD2 PHE A 41 0.641 -4.138 2.962 1.00 1.98 C ATOM 644 CE1 PHE A 41 2.741 -5.495 1.687 1.00 1.82 C ATOM 645 CE2 PHE A 41 1.095 -5.366 3.472 1.00 1.91 C ATOM 646 CZ PHE A 41 2.146 -6.044 2.834 1.00 1.00 C ATOM 0 H PHE A 41 -0.774 -0.639 -0.451 1.00 0.56 H new ATOM 0 HA PHE A 41 1.799 -2.102 -0.555 1.00 0.57 H new ATOM 0 HB2 PHE A 41 1.389 -1.457 1.779 1.00 0.57 H new ATOM 0 HB3 PHE A 41 -0.252 -2.064 1.681 1.00 0.57 H new ATOM 0 HD1 PHE A 41 2.756 -3.844 0.297 1.00 1.83 H new ATOM 0 HD2 PHE A 41 -0.169 -3.619 3.453 1.00 1.98 H new ATOM 0 HE1 PHE A 41 3.547 -6.020 1.195 1.00 1.82 H new ATOM 0 HE2 PHE A 41 0.636 -5.788 4.354 1.00 1.91 H new ATOM 0 HZ PHE A 41 2.497 -6.988 3.225 1.00 1.00 H new ATOM 656 N PHE A 42 0.578 -3.797 -1.846 1.00 0.59 N ATOM 657 CA PHE A 42 -0.082 -4.740 -2.760 1.00 0.63 C ATOM 658 C PHE A 42 0.048 -6.180 -2.244 1.00 1.75 C ATOM 659 O PHE A 42 1.137 -6.754 -2.300 1.00 2.16 O ATOM 660 CB PHE A 42 0.527 -4.610 -4.164 1.00 0.73 C ATOM 661 CG PHE A 42 0.164 -3.349 -4.926 1.00 0.86 C ATOM 662 CD1 PHE A 42 0.874 -2.153 -4.701 1.00 2.28 C ATOM 663 CD2 PHE A 42 -0.828 -3.393 -5.927 1.00 1.60 C ATOM 664 CE1 PHE A 42 0.623 -1.023 -5.499 1.00 2.40 C ATOM 665 CE2 PHE A 42 -1.086 -2.259 -6.716 1.00 1.44 C ATOM 666 CZ PHE A 42 -0.357 -1.074 -6.507 1.00 1.21 C ATOM 0 H PHE A 42 1.591 -3.770 -1.960 1.00 0.59 H new ATOM 0 HA PHE A 42 -1.144 -4.498 -2.810 1.00 0.63 H new ATOM 0 HB2 PHE A 42 1.612 -4.659 -4.075 1.00 0.73 H new ATOM 0 HB3 PHE A 42 0.217 -5.471 -4.755 1.00 0.73 H new ATOM 0 HD1 PHE A 42 1.612 -2.104 -3.914 1.00 2.28 H new ATOM 0 HD2 PHE A 42 -1.391 -4.300 -6.088 1.00 1.60 H new ATOM 0 HE1 PHE A 42 1.184 -0.114 -5.338 1.00 2.40 H new ATOM 0 HE2 PHE A 42 -1.845 -2.297 -7.484 1.00 1.44 H new ATOM 0 HZ PHE A 42 -0.549 -0.205 -7.119 1.00 1.21 H new ATOM 676 N GLY A 43 -1.057 -6.751 -1.747 1.00 0.68 N ATOM 677 CA GLY A 43 -1.130 -8.124 -1.224 1.00 0.83 C ATOM 678 C GLY A 43 -2.443 -8.870 -1.496 1.00 0.85 C ATOM 679 O GLY A 43 -3.391 -8.326 -2.062 1.00 0.89 O ATOM 0 H GLY A 43 -1.949 -6.259 -1.696 1.00 0.68 H new ATOM 0 HA2 GLY A 43 -0.310 -8.701 -1.653 1.00 0.83 H new ATOM 0 HA3 GLY A 43 -0.968 -8.092 -0.147 1.00 0.83 H new ATOM 683 N PHE A 44 -2.506 -10.117 -1.019 1.00 0.98 N ATOM 684 CA PHE A 44 -3.731 -10.922 -0.894 1.00 0.93 C ATOM 685 C PHE A 44 -4.007 -11.193 0.595 1.00 1.68 C ATOM 686 O PHE A 44 -3.140 -11.763 1.259 1.00 2.37 O ATOM 687 CB PHE A 44 -3.512 -12.248 -1.657 1.00 1.04 C ATOM 688 CG PHE A 44 -4.665 -13.233 -1.792 1.00 1.52 C ATOM 689 CD1 PHE A 44 -5.994 -12.912 -1.444 1.00 3.20 C ATOM 690 CD2 PHE A 44 -4.392 -14.500 -2.345 1.00 2.28 C ATOM 691 CE1 PHE A 44 -7.027 -13.849 -1.627 1.00 4.29 C ATOM 692 CE2 PHE A 44 -5.422 -15.437 -2.532 1.00 3.29 C ATOM 693 CZ PHE A 44 -6.739 -15.112 -2.169 1.00 4.11 C ATOM 0 H PHE A 44 -1.676 -10.614 -0.697 1.00 0.98 H new ATOM 0 HA PHE A 44 -4.589 -10.397 -1.314 1.00 0.93 H new ATOM 0 HB2 PHE A 44 -3.179 -11.995 -2.663 1.00 1.04 H new ATOM 0 HB3 PHE A 44 -2.689 -12.773 -1.171 1.00 1.04 H new ATOM 0 HD1 PHE A 44 -6.220 -11.939 -1.034 1.00 3.20 H new ATOM 0 HD2 PHE A 44 -3.381 -14.753 -2.628 1.00 2.28 H new ATOM 0 HE1 PHE A 44 -8.040 -13.597 -1.351 1.00 4.29 H new ATOM 0 HE2 PHE A 44 -5.201 -16.406 -2.954 1.00 3.29 H new ATOM 0 HZ PHE A 44 -7.531 -15.834 -2.307 1.00 4.11 H new ATOM 703 N THR A 45 -5.206 -10.876 1.112 1.00 0.91 N ATOM 704 CA THR A 45 -5.634 -11.155 2.510 1.00 0.99 C ATOM 705 C THR A 45 -5.426 -12.592 2.987 1.00 1.44 C ATOM 706 O THR A 45 -5.316 -12.815 4.185 1.00 1.96 O ATOM 707 CB THR A 45 -7.110 -10.808 2.726 1.00 1.13 C ATOM 708 OG1 THR A 45 -7.884 -11.378 1.700 1.00 1.69 O ATOM 709 CG2 THR A 45 -7.334 -9.304 2.782 1.00 1.19 C ATOM 0 H THR A 45 -5.928 -10.408 0.564 1.00 0.91 H new ATOM 0 HA THR A 45 -4.978 -10.516 3.101 1.00 0.99 H new ATOM 0 HB THR A 45 -7.417 -11.219 3.688 1.00 1.13 H new ATOM 0 HG1 THR A 45 -8.486 -10.700 1.329 1.00 1.69 H new ATOM 0 HG21 THR A 45 -8.393 -9.099 2.936 1.00 1.19 H new ATOM 0 HG22 THR A 45 -6.759 -8.881 3.606 1.00 1.19 H new ATOM 0 HG23 THR A 45 -7.010 -8.853 1.844 1.00 1.19 H new ATOM 717 N ARG A 46 -5.325 -13.558 2.069 1.00 1.70 N ATOM 718 CA ARG A 46 -5.020 -14.966 2.348 1.00 2.04 C ATOM 719 C ARG A 46 -3.568 -15.230 2.799 1.00 1.89 C ATOM 720 O ARG A 46 -3.248 -16.365 3.154 1.00 2.57 O ATOM 721 CB ARG A 46 -5.340 -15.780 1.079 1.00 2.56 C ATOM 722 CG ARG A 46 -5.902 -17.184 1.346 1.00 3.10 C ATOM 723 CD ARG A 46 -7.372 -17.120 1.789 1.00 3.82 C ATOM 724 NE ARG A 46 -7.964 -18.463 1.941 1.00 4.70 N ATOM 725 CZ ARG A 46 -8.349 -19.265 0.954 1.00 5.92 C ATOM 726 NH1 ARG A 46 -8.219 -18.953 -0.315 1.00 6.59 N ATOM 727 NH2 ARG A 46 -8.874 -20.443 1.192 1.00 6.83 N ATOM 0 H ARG A 46 -5.458 -13.375 1.074 1.00 1.70 H new ATOM 0 HA ARG A 46 -5.636 -15.271 3.194 1.00 2.04 H new ATOM 0 HB2 ARG A 46 -6.059 -15.223 0.478 1.00 2.56 H new ATOM 0 HB3 ARG A 46 -4.431 -15.874 0.484 1.00 2.56 H new ATOM 0 HG2 ARG A 46 -5.818 -17.790 0.444 1.00 3.10 H new ATOM 0 HG3 ARG A 46 -5.308 -17.676 2.117 1.00 3.10 H new ATOM 0 HD2 ARG A 46 -7.442 -16.584 2.736 1.00 3.82 H new ATOM 0 HD3 ARG A 46 -7.946 -16.552 1.058 1.00 3.82 H new ATOM 0 HE ARG A 46 -8.089 -18.808 2.893 1.00 4.70 H new ATOM 0 HH11 ARG A 46 -7.806 -18.059 -0.581 1.00 6.59 H new ATOM 0 HH12 ARG A 46 -8.531 -19.605 -1.035 1.00 6.59 H new ATOM 0 HH21 ARG A 46 -8.995 -20.763 2.153 1.00 6.83 H new ATOM 0 HH22 ARG A 46 -9.161 -21.039 0.416 1.00 6.83 H new ATOM 741 N CYS A 47 -2.674 -14.233 2.771 1.00 1.44 N ATOM 742 CA CYS A 47 -1.286 -14.383 3.226 1.00 1.53 C ATOM 743 C CYS A 47 -1.230 -14.544 4.762 1.00 1.69 C ATOM 744 O CYS A 47 -1.937 -13.815 5.460 1.00 2.33 O ATOM 745 CB CYS A 47 -0.436 -13.196 2.751 1.00 2.24 C ATOM 746 SG CYS A 47 -0.333 -13.196 0.941 1.00 3.84 S ATOM 0 H CYS A 47 -2.894 -13.297 2.431 1.00 1.44 H new ATOM 0 HA CYS A 47 -0.869 -15.289 2.786 1.00 1.53 H new ATOM 0 HB2 CYS A 47 -0.875 -12.261 3.099 1.00 2.24 H new ATOM 0 HB3 CYS A 47 0.564 -13.258 3.181 1.00 2.24 H new ATOM 0 HG CYS A 47 -1.345 -12.544 0.449 1.00 3.84 H new ATOM 752 N PRO A 48 -0.390 -15.451 5.294 1.00 1.89 N ATOM 753 CA PRO A 48 -0.427 -15.841 6.700 1.00 2.63 C ATOM 754 C PRO A 48 0.310 -14.862 7.624 1.00 2.34 C ATOM 755 O PRO A 48 0.030 -14.843 8.818 1.00 2.64 O ATOM 756 CB PRO A 48 0.230 -17.223 6.725 1.00 3.51 C ATOM 757 CG PRO A 48 1.268 -17.145 5.605 1.00 3.36 C ATOM 758 CD PRO A 48 0.607 -16.234 4.570 1.00 2.46 C ATOM 0 HA PRO A 48 -1.450 -15.843 7.077 1.00 2.63 H new ATOM 0 HB2 PRO A 48 0.695 -17.429 7.689 1.00 3.51 H new ATOM 0 HB3 PRO A 48 -0.496 -18.016 6.545 1.00 3.51 H new ATOM 0 HG2 PRO A 48 2.212 -16.731 5.960 1.00 3.36 H new ATOM 0 HG3 PRO A 48 1.487 -18.129 5.192 1.00 3.36 H new ATOM 0 HD2 PRO A 48 1.343 -15.584 4.097 1.00 2.46 H new ATOM 0 HD3 PRO A 48 0.141 -16.819 3.777 1.00 2.46 H new ATOM 766 N ASP A 49 1.246 -14.069 7.092 1.00 1.62 N ATOM 767 CA ASP A 49 2.244 -13.322 7.844 1.00 1.21 C ATOM 768 C ASP A 49 2.303 -11.886 7.321 1.00 1.32 C ATOM 769 O ASP A 49 2.079 -10.932 8.056 1.00 1.37 O ATOM 770 CB ASP A 49 3.603 -14.047 7.682 1.00 1.50 C ATOM 771 CG ASP A 49 3.904 -14.637 6.281 1.00 3.56 C ATOM 772 OD1 ASP A 49 3.287 -14.189 5.280 1.00 4.94 O ATOM 773 OD2 ASP A 49 4.718 -15.578 6.221 1.00 4.52 O ATOM 0 H ASP A 49 1.327 -13.928 6.085 1.00 1.62 H new ATOM 0 HA ASP A 49 1.990 -13.275 8.903 1.00 1.21 H new ATOM 0 HB2 ASP A 49 4.397 -13.345 7.935 1.00 1.50 H new ATOM 0 HB3 ASP A 49 3.648 -14.856 8.411 1.00 1.50 H new ATOM 778 N VAL A 50 2.515 -11.740 6.019 1.00 1.52 N ATOM 779 CA VAL A 50 2.764 -10.474 5.345 1.00 1.57 C ATOM 780 C VAL A 50 1.536 -9.558 5.269 1.00 1.70 C ATOM 781 O VAL A 50 1.673 -8.349 5.120 1.00 2.01 O ATOM 782 CB VAL A 50 3.386 -10.786 3.964 1.00 1.61 C ATOM 783 CG1 VAL A 50 2.437 -10.657 2.763 1.00 2.04 C ATOM 784 CG2 VAL A 50 4.664 -9.977 3.799 1.00 1.72 C ATOM 0 H VAL A 50 2.518 -12.534 5.378 1.00 1.52 H new ATOM 0 HA VAL A 50 3.467 -9.888 5.937 1.00 1.57 H new ATOM 0 HB VAL A 50 3.620 -11.850 3.960 1.00 1.61 H new ATOM 0 HG11 VAL A 50 2.975 -10.898 1.846 1.00 2.04 H new ATOM 0 HG12 VAL A 50 1.601 -11.346 2.884 1.00 2.04 H new ATOM 0 HG13 VAL A 50 2.060 -9.636 2.705 1.00 2.04 H new ATOM 0 HG21 VAL A 50 5.108 -10.192 2.827 1.00 1.72 H new ATOM 0 HG22 VAL A 50 4.433 -8.914 3.865 1.00 1.72 H new ATOM 0 HG23 VAL A 50 5.368 -10.245 4.587 1.00 1.72 H new ATOM 794 N CYS A 51 0.319 -10.101 5.412 1.00 1.60 N ATOM 795 CA CYS A 51 -0.828 -9.266 5.759 1.00 1.68 C ATOM 796 C CYS A 51 -0.757 -8.828 7.234 1.00 1.64 C ATOM 797 O CYS A 51 -0.549 -7.638 7.458 1.00 1.70 O ATOM 798 CB CYS A 51 -2.143 -9.945 5.329 1.00 1.89 C ATOM 799 SG CYS A 51 -2.362 -9.662 3.549 1.00 2.04 S ATOM 0 H CYS A 51 0.110 -11.093 5.295 1.00 1.60 H new ATOM 0 HA CYS A 51 -0.800 -8.334 5.194 1.00 1.68 H new ATOM 0 HB2 CYS A 51 -2.109 -11.013 5.544 1.00 1.89 H new ATOM 0 HB3 CYS A 51 -2.985 -9.534 5.887 1.00 1.89 H new ATOM 0 HG CYS A 51 -2.655 -10.785 2.964 1.00 2.04 H new ATOM 805 N PRO A 52 -0.861 -9.717 8.246 1.00 1.34 N ATOM 806 CA PRO A 52 -1.039 -9.264 9.623 1.00 1.39 C ATOM 807 C PRO A 52 0.186 -8.568 10.227 1.00 1.48 C ATOM 808 O PRO A 52 0.000 -7.557 10.896 1.00 1.45 O ATOM 809 CB PRO A 52 -1.438 -10.509 10.425 1.00 1.55 C ATOM 810 CG PRO A 52 -0.932 -11.677 9.580 1.00 1.44 C ATOM 811 CD PRO A 52 -1.077 -11.155 8.155 1.00 1.35 C ATOM 0 HA PRO A 52 -1.805 -8.489 9.653 1.00 1.39 H new ATOM 0 HB2 PRO A 52 -0.983 -10.507 11.415 1.00 1.55 H new ATOM 0 HB3 PRO A 52 -2.517 -10.560 10.570 1.00 1.55 H new ATOM 0 HG2 PRO A 52 0.102 -11.927 9.815 1.00 1.44 H new ATOM 0 HG3 PRO A 52 -1.523 -12.579 9.742 1.00 1.44 H new ATOM 0 HD2 PRO A 52 -0.349 -11.620 7.490 1.00 1.35 H new ATOM 0 HD3 PRO A 52 -2.065 -11.379 7.753 1.00 1.35 H new ATOM 819 N THR A 53 1.412 -9.060 10.008 1.00 1.27 N ATOM 820 CA THR A 53 2.633 -8.486 10.593 1.00 1.30 C ATOM 821 C THR A 53 2.951 -7.147 9.945 1.00 1.39 C ATOM 822 O THR A 53 3.074 -6.149 10.659 1.00 1.33 O ATOM 823 CB THR A 53 3.816 -9.450 10.466 1.00 1.37 C ATOM 824 OG1 THR A 53 3.427 -10.709 10.962 1.00 2.43 O ATOM 825 CG2 THR A 53 5.012 -9.001 11.306 1.00 1.60 C ATOM 0 H THR A 53 1.587 -9.872 9.417 1.00 1.27 H new ATOM 0 HA THR A 53 2.456 -8.322 11.656 1.00 1.30 H new ATOM 0 HB THR A 53 4.101 -9.481 9.414 1.00 1.37 H new ATOM 0 HG1 THR A 53 2.867 -11.163 10.298 1.00 2.43 H new ATOM 0 HG21 THR A 53 5.828 -9.713 11.186 1.00 1.60 H new ATOM 0 HG22 THR A 53 5.339 -8.015 10.976 1.00 1.60 H new ATOM 0 HG23 THR A 53 4.722 -8.954 12.356 1.00 1.60 H new ATOM 833 N THR A 54 2.996 -7.089 8.607 1.00 1.18 N ATOM 834 CA THR A 54 3.360 -5.862 7.884 1.00 1.06 C ATOM 835 C THR A 54 2.304 -4.778 8.071 1.00 1.12 C ATOM 836 O THR A 54 2.677 -3.639 8.338 1.00 1.04 O ATOM 837 CB THR A 54 3.648 -6.142 6.405 1.00 1.06 C ATOM 838 OG1 THR A 54 4.388 -7.333 6.263 1.00 1.83 O ATOM 839 CG2 THR A 54 4.445 -5.017 5.743 1.00 1.29 C ATOM 0 H THR A 54 2.784 -7.881 8.001 1.00 1.18 H new ATOM 0 HA THR A 54 4.287 -5.484 8.316 1.00 1.06 H new ATOM 0 HB THR A 54 2.677 -6.225 5.917 1.00 1.06 H new ATOM 0 HG1 THR A 54 4.937 -7.474 7.062 1.00 1.83 H new ATOM 0 HG21 THR A 54 4.623 -5.264 4.696 1.00 1.29 H new ATOM 0 HG22 THR A 54 3.881 -4.086 5.805 1.00 1.29 H new ATOM 0 HG23 THR A 54 5.400 -4.898 6.255 1.00 1.29 H new ATOM 847 N LEU A 55 1.002 -5.101 8.043 1.00 0.89 N ATOM 848 CA LEU A 55 -0.061 -4.136 8.377 1.00 0.85 C ATOM 849 C LEU A 55 0.039 -3.638 9.832 1.00 1.19 C ATOM 850 O LEU A 55 -0.269 -2.469 10.082 1.00 1.37 O ATOM 851 CB LEU A 55 -1.453 -4.761 8.134 1.00 0.88 C ATOM 852 CG LEU A 55 -1.843 -5.057 6.670 1.00 1.05 C ATOM 853 CD1 LEU A 55 -3.169 -5.833 6.614 1.00 1.75 C ATOM 854 CD2 LEU A 55 -2.004 -3.785 5.842 1.00 1.20 C ATOM 0 H LEU A 55 0.657 -6.027 7.791 1.00 0.89 H new ATOM 0 HA LEU A 55 0.073 -3.275 7.722 1.00 0.85 H new ATOM 0 HB2 LEU A 55 -1.508 -5.694 8.694 1.00 0.88 H new ATOM 0 HB3 LEU A 55 -2.203 -4.092 8.556 1.00 0.88 H new ATOM 0 HG LEU A 55 -1.030 -5.649 6.250 1.00 1.05 H new ATOM 0 HD11 LEU A 55 -3.430 -6.034 5.575 1.00 1.75 H new ATOM 0 HD12 LEU A 55 -3.062 -6.776 7.150 1.00 1.75 H new ATOM 0 HD13 LEU A 55 -3.957 -5.240 7.078 1.00 1.75 H new ATOM 0 HD21 LEU A 55 -2.278 -4.048 4.820 1.00 1.20 H new ATOM 0 HD22 LEU A 55 -2.785 -3.163 6.279 1.00 1.20 H new ATOM 0 HD23 LEU A 55 -1.063 -3.234 5.835 1.00 1.20 H new ATOM 866 N LEU A 56 0.499 -4.467 10.782 1.00 0.94 N ATOM 867 CA LEU A 56 0.769 -4.008 12.147 1.00 0.98 C ATOM 868 C LEU A 56 1.973 -3.057 12.177 1.00 1.21 C ATOM 869 O LEU A 56 1.918 -2.020 12.840 1.00 1.29 O ATOM 870 CB LEU A 56 1.009 -5.216 13.082 1.00 1.08 C ATOM 871 CG LEU A 56 1.058 -4.834 14.575 1.00 1.14 C ATOM 872 CD1 LEU A 56 -0.331 -4.605 15.185 1.00 2.31 C ATOM 873 CD2 LEU A 56 1.800 -5.909 15.380 1.00 2.05 C ATOM 0 H LEU A 56 0.690 -5.457 10.627 1.00 0.94 H new ATOM 0 HA LEU A 56 -0.104 -3.460 12.502 1.00 0.98 H new ATOM 0 HB2 LEU A 56 0.217 -5.949 12.928 1.00 1.08 H new ATOM 0 HB3 LEU A 56 1.947 -5.698 12.807 1.00 1.08 H new ATOM 0 HG LEU A 56 1.595 -3.887 14.630 1.00 1.14 H new ATOM 0 HD11 LEU A 56 -0.227 -4.339 16.237 1.00 2.31 H new ATOM 0 HD12 LEU A 56 -0.833 -3.796 14.654 1.00 2.31 H new ATOM 0 HD13 LEU A 56 -0.922 -5.517 15.098 1.00 2.31 H new ATOM 0 HD21 LEU A 56 1.825 -5.623 16.432 1.00 2.05 H new ATOM 0 HD22 LEU A 56 1.283 -6.863 15.275 1.00 2.05 H new ATOM 0 HD23 LEU A 56 2.819 -6.005 15.006 1.00 2.05 H new ATOM 885 N ALA A 57 3.069 -3.384 11.490 1.00 0.99 N ATOM 886 CA ALA A 57 4.259 -2.538 11.467 1.00 1.04 C ATOM 887 C ALA A 57 4.008 -1.178 10.790 1.00 1.04 C ATOM 888 O ALA A 57 4.500 -0.160 11.295 1.00 1.14 O ATOM 889 CB ALA A 57 5.380 -3.316 10.788 1.00 1.16 C ATOM 0 H ALA A 57 3.155 -4.237 10.938 1.00 0.99 H new ATOM 0 HA ALA A 57 4.544 -2.295 12.490 1.00 1.04 H new ATOM 0 HB1 ALA A 57 6.282 -2.704 10.758 1.00 1.16 H new ATOM 0 HB2 ALA A 57 5.580 -4.230 11.348 1.00 1.16 H new ATOM 0 HB3 ALA A 57 5.082 -3.572 9.771 1.00 1.16 H new ATOM 895 N LEU A 58 3.197 -1.170 9.719 1.00 0.90 N ATOM 896 CA LEU A 58 2.683 0.012 9.020 1.00 0.87 C ATOM 897 C LEU A 58 1.829 0.885 9.950 1.00 1.18 C ATOM 898 O LEU A 58 2.184 2.034 10.204 1.00 1.32 O ATOM 899 CB LEU A 58 1.874 -0.445 7.782 1.00 0.89 C ATOM 900 CG LEU A 58 2.730 -0.971 6.608 1.00 1.07 C ATOM 901 CD1 LEU A 58 1.852 -1.710 5.587 1.00 1.45 C ATOM 902 CD2 LEU A 58 3.437 0.181 5.887 1.00 1.27 C ATOM 0 H LEU A 58 2.866 -2.038 9.297 1.00 0.90 H new ATOM 0 HA LEU A 58 3.523 0.626 8.694 1.00 0.87 H new ATOM 0 HB2 LEU A 58 1.180 -1.228 8.087 1.00 0.89 H new ATOM 0 HB3 LEU A 58 1.273 0.393 7.428 1.00 0.89 H new ATOM 0 HG LEU A 58 3.470 -1.653 7.027 1.00 1.07 H new ATOM 0 HD11 LEU A 58 2.473 -2.073 4.768 1.00 1.45 H new ATOM 0 HD12 LEU A 58 1.362 -2.554 6.072 1.00 1.45 H new ATOM 0 HD13 LEU A 58 1.097 -1.028 5.195 1.00 1.45 H new ATOM 0 HD21 LEU A 58 4.033 -0.215 5.065 1.00 1.27 H new ATOM 0 HD22 LEU A 58 2.694 0.875 5.495 1.00 1.27 H new ATOM 0 HD23 LEU A 58 4.088 0.704 6.588 1.00 1.27 H new ATOM 914 N LYS A 59 0.729 0.368 10.514 1.00 0.84 N ATOM 915 CA LYS A 59 -0.136 1.171 11.389 1.00 0.91 C ATOM 916 C LYS A 59 0.596 1.700 12.642 1.00 1.04 C ATOM 917 O LYS A 59 0.321 2.814 13.086 1.00 1.09 O ATOM 918 CB LYS A 59 -1.433 0.388 11.671 1.00 1.09 C ATOM 919 CG LYS A 59 -1.390 -0.660 12.793 1.00 1.15 C ATOM 920 CD LYS A 59 -1.725 -0.093 14.173 1.00 1.30 C ATOM 921 CE LYS A 59 -2.006 -1.229 15.161 1.00 1.09 C ATOM 922 NZ LYS A 59 -2.093 -0.716 16.543 1.00 1.36 N ATOM 0 H LYS A 59 0.419 -0.595 10.382 1.00 0.84 H new ATOM 0 HA LYS A 59 -0.421 2.089 10.875 1.00 0.91 H new ATOM 0 HB2 LYS A 59 -2.217 1.107 11.910 1.00 1.09 H new ATOM 0 HB3 LYS A 59 -1.731 -0.114 10.751 1.00 1.09 H new ATOM 0 HG2 LYS A 59 -2.092 -1.461 12.558 1.00 1.15 H new ATOM 0 HG3 LYS A 59 -0.396 -1.106 12.824 1.00 1.15 H new ATOM 0 HD2 LYS A 59 -0.896 0.516 14.534 1.00 1.30 H new ATOM 0 HD3 LYS A 59 -2.594 0.561 14.104 1.00 1.30 H new ATOM 0 HE2 LYS A 59 -2.939 -1.726 14.894 1.00 1.09 H new ATOM 0 HE3 LYS A 59 -1.216 -1.977 15.096 1.00 1.09 H new ATOM 0 HZ1 LYS A 59 -2.481 -1.455 17.164 1.00 1.36 H new ATOM 0 HZ2 LYS A 59 -1.144 -0.448 16.874 1.00 1.36 H new ATOM 0 HZ3 LYS A 59 -2.716 0.117 16.566 1.00 1.36 H new ATOM 936 N ARG A 60 1.603 0.982 13.161 1.00 0.97 N ATOM 937 CA ARG A 60 2.459 1.475 14.256 1.00 1.04 C ATOM 938 C ARG A 60 3.289 2.726 13.896 1.00 1.32 C ATOM 939 O ARG A 60 3.721 3.428 14.810 1.00 1.24 O ATOM 940 CB ARG A 60 3.398 0.370 14.750 1.00 1.11 C ATOM 941 CG ARG A 60 2.701 -0.681 15.625 1.00 1.41 C ATOM 942 CD ARG A 60 3.656 -1.844 15.926 1.00 2.31 C ATOM 943 NE ARG A 60 4.674 -1.482 16.936 1.00 2.48 N ATOM 944 CZ ARG A 60 5.988 -1.701 16.891 1.00 3.68 C ATOM 945 NH1 ARG A 60 6.611 -2.098 15.799 1.00 4.75 N ATOM 946 NH2 ARG A 60 6.711 -1.513 17.979 1.00 4.64 N ATOM 0 H ARG A 60 1.848 0.047 12.837 1.00 0.97 H new ATOM 0 HA ARG A 60 1.769 1.772 15.046 1.00 1.04 H new ATOM 0 HB2 ARG A 60 3.847 -0.126 13.889 1.00 1.11 H new ATOM 0 HB3 ARG A 60 4.211 0.822 15.318 1.00 1.11 H new ATOM 0 HG2 ARG A 60 2.368 -0.225 16.557 1.00 1.41 H new ATOM 0 HG3 ARG A 60 1.812 -1.054 15.117 1.00 1.41 H new ATOM 0 HD2 ARG A 60 3.083 -2.700 16.281 1.00 2.31 H new ATOM 0 HD3 ARG A 60 4.153 -2.152 15.006 1.00 2.31 H new ATOM 0 HE ARG A 60 4.328 -1.006 17.769 1.00 2.48 H new ATOM 0 HH11 ARG A 60 6.085 -2.251 14.939 1.00 4.75 H new ATOM 0 HH12 ARG A 60 7.619 -2.252 15.815 1.00 4.75 H new ATOM 0 HH21 ARG A 60 6.263 -1.203 18.842 1.00 4.64 H new ATOM 0 HH22 ARG A 60 7.717 -1.677 17.957 1.00 4.64 H new ATOM 960 N ALA A 61 3.534 3.026 12.613 1.00 0.99 N ATOM 961 CA ALA A 61 4.150 4.291 12.199 1.00 0.96 C ATOM 962 C ALA A 61 3.183 5.479 12.342 1.00 1.06 C ATOM 963 O ALA A 61 3.548 6.521 12.872 1.00 1.12 O ATOM 964 CB ALA A 61 4.689 4.147 10.770 1.00 0.98 C ATOM 0 H ALA A 61 3.312 2.401 11.838 1.00 0.99 H new ATOM 0 HA ALA A 61 4.984 4.511 12.865 1.00 0.96 H new ATOM 0 HB1 ALA A 61 5.148 5.085 10.458 1.00 0.98 H new ATOM 0 HB2 ALA A 61 5.433 3.351 10.740 1.00 0.98 H new ATOM 0 HB3 ALA A 61 3.869 3.902 10.095 1.00 0.98 H new ATOM 970 N TYR A 62 1.919 5.288 11.949 1.00 0.96 N ATOM 971 CA TYR A 62 0.825 6.244 12.146 1.00 1.09 C ATOM 972 C TYR A 62 0.531 6.514 13.637 1.00 1.34 C ATOM 973 O TYR A 62 0.297 7.663 14.013 1.00 1.57 O ATOM 974 CB TYR A 62 -0.402 5.687 11.400 1.00 1.15 C ATOM 975 CG TYR A 62 -1.659 6.525 11.494 1.00 1.77 C ATOM 976 CD1 TYR A 62 -2.472 6.444 12.640 1.00 2.75 C ATOM 977 CD2 TYR A 62 -2.036 7.353 10.421 1.00 2.21 C ATOM 978 CE1 TYR A 62 -3.645 7.215 12.728 1.00 3.32 C ATOM 979 CE2 TYR A 62 -3.216 8.114 10.490 1.00 2.71 C ATOM 980 CZ TYR A 62 -4.016 8.049 11.653 1.00 2.99 C ATOM 981 OH TYR A 62 -5.146 8.795 11.736 1.00 3.66 O ATOM 0 H TYR A 62 1.620 4.438 11.471 1.00 0.96 H new ATOM 0 HA TYR A 62 1.105 7.217 11.743 1.00 1.09 H new ATOM 0 HB2 TYR A 62 -0.143 5.569 10.348 1.00 1.15 H new ATOM 0 HB3 TYR A 62 -0.620 4.692 11.788 1.00 1.15 H new ATOM 0 HD1 TYR A 62 -2.195 5.789 13.453 1.00 2.75 H new ATOM 0 HD2 TYR A 62 -1.415 7.404 9.539 1.00 2.21 H new ATOM 0 HE1 TYR A 62 -4.259 7.169 13.615 1.00 3.32 H new ATOM 0 HE2 TYR A 62 -3.508 8.742 9.662 1.00 2.71 H new ATOM 0 HH TYR A 62 -5.137 9.310 12.570 1.00 3.66 H new ATOM 991 N GLU A 63 0.605 5.483 14.491 1.00 1.04 N ATOM 992 CA GLU A 63 0.447 5.607 15.950 1.00 1.21 C ATOM 993 C GLU A 63 1.605 6.375 16.610 1.00 1.33 C ATOM 994 O GLU A 63 1.452 6.909 17.703 1.00 1.58 O ATOM 995 CB GLU A 63 0.304 4.218 16.594 1.00 1.33 C ATOM 996 CG GLU A 63 -0.985 3.511 16.158 1.00 1.47 C ATOM 997 CD GLU A 63 -1.156 2.139 16.807 1.00 2.07 C ATOM 998 OE1 GLU A 63 -0.241 1.283 16.723 1.00 2.47 O ATOM 999 OE2 GLU A 63 -2.288 1.828 17.231 1.00 2.98 O ATOM 0 H GLU A 63 0.779 4.526 14.185 1.00 1.04 H new ATOM 0 HA GLU A 63 -0.461 6.185 16.119 1.00 1.21 H new ATOM 0 HB2 GLU A 63 1.163 3.604 16.325 1.00 1.33 H new ATOM 0 HB3 GLU A 63 0.312 4.319 17.679 1.00 1.33 H new ATOM 0 HG2 GLU A 63 -1.841 4.137 16.411 1.00 1.47 H new ATOM 0 HG3 GLU A 63 -0.983 3.397 15.074 1.00 1.47 H new ATOM 1006 N LYS A 64 2.758 6.484 15.944 1.00 1.04 N ATOM 1007 CA LYS A 64 3.891 7.281 16.412 1.00 1.06 C ATOM 1008 C LYS A 64 3.695 8.795 16.185 1.00 1.40 C ATOM 1009 O LYS A 64 4.399 9.607 16.785 1.00 1.61 O ATOM 1010 CB LYS A 64 5.147 6.775 15.683 1.00 0.99 C ATOM 1011 CG LYS A 64 6.453 7.006 16.456 1.00 1.39 C ATOM 1012 CD LYS A 64 6.654 5.990 17.594 1.00 2.11 C ATOM 1013 CE LYS A 64 8.076 6.064 18.172 1.00 2.70 C ATOM 1014 NZ LYS A 64 9.089 5.664 17.168 1.00 3.61 N ATOM 0 H LYS A 64 2.931 6.015 15.055 1.00 1.04 H new ATOM 0 HA LYS A 64 3.989 7.159 17.491 1.00 1.06 H new ATOM 0 HB2 LYS A 64 5.036 5.708 15.488 1.00 0.99 H new ATOM 0 HB3 LYS A 64 5.217 7.271 14.715 1.00 0.99 H new ATOM 0 HG2 LYS A 64 7.295 6.945 15.766 1.00 1.39 H new ATOM 0 HG3 LYS A 64 6.453 8.014 16.870 1.00 1.39 H new ATOM 0 HD2 LYS A 64 5.929 6.180 18.385 1.00 2.11 H new ATOM 0 HD3 LYS A 64 6.463 4.983 17.222 1.00 2.11 H new ATOM 0 HE2 LYS A 64 8.280 7.079 18.512 1.00 2.70 H new ATOM 0 HE3 LYS A 64 8.150 5.415 19.044 1.00 2.70 H new ATOM 0 HZ1 LYS A 64 10.018 5.577 17.628 1.00 3.61 H new ATOM 0 HZ2 LYS A 64 8.822 4.749 16.751 1.00 3.61 H new ATOM 0 HZ3 LYS A 64 9.139 6.384 16.420 1.00 3.61 H new ATOM 1028 N LEU A 65 2.768 9.189 15.304 1.00 1.38 N ATOM 1029 CA LEU A 65 2.502 10.585 14.947 1.00 1.65 C ATOM 1030 C LEU A 65 1.484 11.224 15.911 1.00 2.18 C ATOM 1031 O LEU A 65 0.507 10.564 16.272 1.00 2.33 O ATOM 1032 CB LEU A 65 1.954 10.634 13.507 1.00 1.65 C ATOM 1033 CG LEU A 65 2.885 10.095 12.401 1.00 1.32 C ATOM 1034 CD1 LEU A 65 2.181 10.243 11.045 1.00 1.48 C ATOM 1035 CD2 LEU A 65 4.239 10.810 12.365 1.00 1.96 C ATOM 0 H LEU A 65 2.168 8.529 14.808 1.00 1.38 H new ATOM 0 HA LEU A 65 3.432 11.149 15.019 1.00 1.65 H new ATOM 0 HB2 LEU A 65 1.023 10.068 13.476 1.00 1.65 H new ATOM 0 HB3 LEU A 65 1.706 11.669 13.271 1.00 1.65 H new ATOM 0 HG LEU A 65 3.089 9.047 12.619 1.00 1.32 H new ATOM 0 HD11 LEU A 65 2.830 9.865 10.255 1.00 1.48 H new ATOM 0 HD12 LEU A 65 1.251 9.674 11.054 1.00 1.48 H new ATOM 0 HD13 LEU A 65 1.961 11.295 10.862 1.00 1.48 H new ATOM 0 HD21 LEU A 65 4.852 10.389 11.568 1.00 1.96 H new ATOM 0 HD22 LEU A 65 4.084 11.873 12.181 1.00 1.96 H new ATOM 0 HD23 LEU A 65 4.746 10.677 13.321 1.00 1.96 H new ATOM 1047 N PRO A 66 1.606 12.528 16.248 1.00 2.25 N ATOM 1048 CA PRO A 66 0.510 13.274 16.853 1.00 2.61 C ATOM 1049 C PRO A 66 -0.642 13.390 15.849 1.00 2.45 C ATOM 1050 O PRO A 66 -0.388 13.369 14.638 1.00 1.96 O ATOM 1051 CB PRO A 66 1.079 14.654 17.194 1.00 2.97 C ATOM 1052 CG PRO A 66 2.170 14.850 16.143 1.00 2.81 C ATOM 1053 CD PRO A 66 2.694 13.435 15.908 1.00 2.47 C ATOM 0 HA PRO A 66 0.119 12.785 17.745 1.00 2.61 H new ATOM 0 HB2 PRO A 66 0.316 15.430 17.133 1.00 2.97 H new ATOM 0 HB3 PRO A 66 1.484 14.684 18.206 1.00 2.97 H new ATOM 0 HG2 PRO A 66 1.772 15.288 15.228 1.00 2.81 H new ATOM 0 HG3 PRO A 66 2.956 15.516 16.499 1.00 2.81 H new ATOM 0 HD2 PRO A 66 3.000 13.302 14.870 1.00 2.47 H new ATOM 0 HD3 PRO A 66 3.570 13.238 16.526 1.00 2.47 H new ATOM 1061 N PRO A 67 -1.891 13.594 16.310 1.00 2.46 N ATOM 1062 CA PRO A 67 -3.050 13.704 15.429 1.00 2.39 C ATOM 1063 C PRO A 67 -2.893 14.808 14.373 1.00 2.24 C ATOM 1064 O PRO A 67 -3.450 14.689 13.289 1.00 2.02 O ATOM 1065 CB PRO A 67 -4.255 13.930 16.348 1.00 2.86 C ATOM 1066 CG PRO A 67 -3.647 14.458 17.644 1.00 3.24 C ATOM 1067 CD PRO A 67 -2.297 13.748 17.698 1.00 2.96 C ATOM 0 HA PRO A 67 -3.176 12.797 14.838 1.00 2.39 H new ATOM 0 HB2 PRO A 67 -4.955 14.645 15.917 1.00 2.86 H new ATOM 0 HB3 PRO A 67 -4.807 13.005 16.515 1.00 2.86 H new ATOM 0 HG2 PRO A 67 -3.533 15.542 17.625 1.00 3.24 H new ATOM 0 HG3 PRO A 67 -4.266 14.217 18.509 1.00 3.24 H new ATOM 0 HD2 PRO A 67 -1.567 14.332 18.259 1.00 2.96 H new ATOM 0 HD3 PRO A 67 -2.380 12.781 18.193 1.00 2.96 H new ATOM 1075 N LYS A 68 -2.071 15.840 14.621 1.00 2.34 N ATOM 1076 CA LYS A 68 -1.882 16.934 13.667 1.00 2.31 C ATOM 1077 C LYS A 68 -0.968 16.533 12.492 1.00 2.15 C ATOM 1078 O LYS A 68 -1.130 17.030 11.382 1.00 2.02 O ATOM 1079 CB LYS A 68 -1.346 18.125 14.476 1.00 2.79 C ATOM 1080 CG LYS A 68 -1.117 19.422 13.689 1.00 2.07 C ATOM 1081 CD LYS A 68 -2.309 19.938 12.861 1.00 2.41 C ATOM 1082 CE LYS A 68 -3.595 20.127 13.683 1.00 3.57 C ATOM 1083 NZ LYS A 68 -4.736 20.509 12.817 1.00 3.74 N ATOM 0 H LYS A 68 -1.527 15.936 15.478 1.00 2.34 H new ATOM 0 HA LYS A 68 -2.822 17.203 13.185 1.00 2.31 H new ATOM 0 HB2 LYS A 68 -2.045 18.333 15.286 1.00 2.79 H new ATOM 0 HB3 LYS A 68 -0.403 17.831 14.937 1.00 2.79 H new ATOM 0 HG2 LYS A 68 -0.826 20.202 14.393 1.00 2.07 H new ATOM 0 HG3 LYS A 68 -0.274 19.269 13.016 1.00 2.07 H new ATOM 0 HD2 LYS A 68 -2.038 20.889 12.403 1.00 2.41 H new ATOM 0 HD3 LYS A 68 -2.507 19.238 12.049 1.00 2.41 H new ATOM 0 HE2 LYS A 68 -3.830 19.203 14.212 1.00 3.57 H new ATOM 0 HE3 LYS A 68 -3.436 20.896 14.439 1.00 3.57 H new ATOM 0 HZ1 LYS A 68 -5.611 20.514 13.378 1.00 3.74 H new ATOM 0 HZ2 LYS A 68 -4.571 21.458 12.424 1.00 3.74 H new ATOM 0 HZ3 LYS A 68 -4.827 19.824 12.040 1.00 3.74 H new ATOM 1097 N ALA A 69 -0.010 15.632 12.722 1.00 1.92 N ATOM 1098 CA ALA A 69 0.710 14.926 11.659 1.00 1.74 C ATOM 1099 C ALA A 69 -0.112 13.788 11.032 1.00 1.50 C ATOM 1100 O ALA A 69 -0.003 13.578 9.828 1.00 1.48 O ATOM 1101 CB ALA A 69 2.050 14.443 12.214 1.00 1.89 C ATOM 0 H ALA A 69 0.291 15.369 13.661 1.00 1.92 H new ATOM 0 HA ALA A 69 0.890 15.619 10.837 1.00 1.74 H new ATOM 0 HB1 ALA A 69 2.598 13.915 11.434 1.00 1.89 H new ATOM 0 HB2 ALA A 69 2.634 15.299 12.552 1.00 1.89 H new ATOM 0 HB3 ALA A 69 1.875 13.770 13.053 1.00 1.89 H new ATOM 1107 N GLN A 70 -0.961 13.081 11.796 1.00 1.39 N ATOM 1108 CA GLN A 70 -1.749 11.944 11.286 1.00 1.29 C ATOM 1109 C GLN A 70 -2.601 12.331 10.072 1.00 1.25 C ATOM 1110 O GLN A 70 -2.621 11.563 9.115 1.00 1.46 O ATOM 1111 CB GLN A 70 -2.639 11.344 12.387 1.00 1.44 C ATOM 1112 CG GLN A 70 -1.868 10.499 13.419 1.00 2.38 C ATOM 1113 CD GLN A 70 -2.742 10.018 14.585 1.00 2.64 C ATOM 1114 OE1 GLN A 70 -3.947 9.844 14.471 1.00 2.68 O ATOM 1115 NE2 GLN A 70 -2.179 9.812 15.757 1.00 3.54 N ATOM 0 H GLN A 70 -1.121 13.280 12.783 1.00 1.39 H new ATOM 0 HA GLN A 70 -1.033 11.188 10.964 1.00 1.29 H new ATOM 0 HB2 GLN A 70 -3.154 12.153 12.906 1.00 1.44 H new ATOM 0 HB3 GLN A 70 -3.406 10.723 11.923 1.00 1.44 H new ATOM 0 HG2 GLN A 70 -1.434 9.633 12.918 1.00 2.38 H new ATOM 0 HG3 GLN A 70 -1.040 11.087 13.814 1.00 2.38 H new ATOM 0 HE21 GLN A 70 -1.175 9.952 15.872 1.00 3.54 H new ATOM 0 HE22 GLN A 70 -2.747 9.513 16.550 1.00 3.54 H new ATOM 1124 N GLU A 71 -3.192 13.541 10.052 1.00 1.34 N ATOM 1125 CA GLU A 71 -3.966 14.117 8.930 1.00 1.39 C ATOM 1126 C GLU A 71 -3.345 13.849 7.556 1.00 1.50 C ATOM 1127 O GLU A 71 -4.041 13.594 6.574 1.00 1.91 O ATOM 1128 CB GLU A 71 -4.027 15.658 9.020 1.00 1.48 C ATOM 1129 CG GLU A 71 -4.194 16.238 10.419 1.00 2.01 C ATOM 1130 CD GLU A 71 -4.188 17.768 10.409 1.00 2.36 C ATOM 1131 OE1 GLU A 71 -3.390 18.384 9.661 1.00 2.57 O ATOM 1132 OE2 GLU A 71 -4.912 18.363 11.231 1.00 3.43 O ATOM 0 H GLU A 71 -3.142 14.173 10.851 1.00 1.34 H new ATOM 0 HA GLU A 71 -4.943 13.641 9.019 1.00 1.39 H new ATOM 0 HB2 GLU A 71 -3.113 16.064 8.586 1.00 1.48 H new ATOM 0 HB3 GLU A 71 -4.855 16.006 8.402 1.00 1.48 H new ATOM 0 HG2 GLU A 71 -5.130 15.882 10.850 1.00 2.01 H new ATOM 0 HG3 GLU A 71 -3.390 15.876 11.060 1.00 2.01 H new ATOM 1139 N ARG A 72 -2.015 13.953 7.503 1.00 1.14 N ATOM 1140 CA ARG A 72 -1.223 13.864 6.288 1.00 1.19 C ATOM 1141 C ARG A 72 -0.982 12.418 5.849 1.00 1.34 C ATOM 1142 O ARG A 72 -0.576 12.238 4.708 1.00 1.60 O ATOM 1143 CB ARG A 72 0.091 14.654 6.445 1.00 1.65 C ATOM 1144 CG ARG A 72 -0.162 16.149 6.712 1.00 1.53 C ATOM 1145 CD ARG A 72 -0.144 16.528 8.198 1.00 2.60 C ATOM 1146 NE ARG A 72 -0.903 17.758 8.450 1.00 3.81 N ATOM 1147 CZ ARG A 72 -0.612 18.995 8.085 1.00 4.11 C ATOM 1148 NH1 ARG A 72 0.464 19.301 7.385 1.00 3.64 N ATOM 1149 NH2 ARG A 72 -1.457 19.929 8.455 1.00 5.56 N ATOM 0 H ARG A 72 -1.447 14.107 8.336 1.00 1.14 H new ATOM 0 HA ARG A 72 -1.798 14.323 5.483 1.00 1.19 H new ATOM 0 HB2 ARG A 72 0.671 14.232 7.266 1.00 1.65 H new ATOM 0 HB3 ARG A 72 0.690 14.544 5.541 1.00 1.65 H new ATOM 0 HG2 ARG A 72 0.594 16.734 6.189 1.00 1.53 H new ATOM 0 HG3 ARG A 72 -1.128 16.425 6.289 1.00 1.53 H new ATOM 0 HD2 ARG A 72 -0.564 15.713 8.787 1.00 2.60 H new ATOM 0 HD3 ARG A 72 0.886 16.661 8.528 1.00 2.60 H new ATOM 0 HE ARG A 72 -1.769 17.644 8.976 1.00 3.81 H new ATOM 0 HH11 ARG A 72 1.114 18.568 7.102 1.00 3.64 H new ATOM 0 HH12 ARG A 72 0.646 20.271 7.127 1.00 3.64 H new ATOM 0 HH21 ARG A 72 -2.286 19.682 8.995 1.00 5.56 H new ATOM 0 HH22 ARG A 72 -1.285 20.902 8.202 1.00 5.56 H new ATOM 1163 N VAL A 73 -1.258 11.404 6.670 1.00 0.97 N ATOM 1164 CA VAL A 73 -1.068 9.984 6.327 1.00 0.89 C ATOM 1165 C VAL A 73 -2.424 9.308 6.133 1.00 1.08 C ATOM 1166 O VAL A 73 -3.317 9.410 6.970 1.00 1.37 O ATOM 1167 CB VAL A 73 -0.232 9.239 7.391 1.00 1.11 C ATOM 1168 CG1 VAL A 73 -0.059 7.745 7.059 1.00 1.79 C ATOM 1169 CG2 VAL A 73 1.170 9.865 7.512 1.00 2.00 C ATOM 0 H VAL A 73 -1.627 11.544 7.611 1.00 0.97 H new ATOM 0 HA VAL A 73 -0.509 9.938 5.392 1.00 0.89 H new ATOM 0 HB VAL A 73 -0.779 9.331 8.329 1.00 1.11 H new ATOM 0 HG11 VAL A 73 0.536 7.266 7.837 1.00 1.79 H new ATOM 0 HG12 VAL A 73 -1.038 7.268 7.005 1.00 1.79 H new ATOM 0 HG13 VAL A 73 0.448 7.642 6.100 1.00 1.79 H new ATOM 0 HG21 VAL A 73 1.745 9.327 8.266 1.00 2.00 H new ATOM 0 HG22 VAL A 73 1.681 9.800 6.552 1.00 2.00 H new ATOM 0 HG23 VAL A 73 1.077 10.911 7.804 1.00 2.00 H new ATOM 1179 N GLN A 74 -2.565 8.601 5.013 1.00 0.70 N ATOM 1180 CA GLN A 74 -3.688 7.727 4.677 1.00 0.72 C ATOM 1181 C GLN A 74 -3.101 6.489 3.994 1.00 0.99 C ATOM 1182 O GLN A 74 -2.136 6.613 3.233 1.00 1.21 O ATOM 1183 CB GLN A 74 -4.671 8.442 3.731 1.00 0.88 C ATOM 1184 CG GLN A 74 -5.450 9.602 4.379 1.00 1.73 C ATOM 1185 CD GLN A 74 -6.418 9.131 5.467 1.00 2.27 C ATOM 1186 OE1 GLN A 74 -7.398 8.458 5.202 1.00 3.03 O ATOM 1187 NE2 GLN A 74 -6.192 9.423 6.732 1.00 3.57 N ATOM 0 H GLN A 74 -1.861 8.624 4.276 1.00 0.70 H new ATOM 0 HA GLN A 74 -4.243 7.453 5.575 1.00 0.72 H new ATOM 0 HB2 GLN A 74 -4.117 8.826 2.875 1.00 0.88 H new ATOM 0 HB3 GLN A 74 -5.384 7.712 3.348 1.00 0.88 H new ATOM 0 HG2 GLN A 74 -4.744 10.312 4.810 1.00 1.73 H new ATOM 0 HG3 GLN A 74 -6.008 10.134 3.609 1.00 1.73 H new ATOM 0 HE21 GLN A 74 -5.380 9.985 6.989 1.00 3.57 H new ATOM 0 HE22 GLN A 74 -6.829 9.087 7.455 1.00 3.57 H new ATOM 1196 N VAL A 75 -3.637 5.301 4.274 1.00 0.75 N ATOM 1197 CA VAL A 75 -2.973 4.037 3.912 1.00 0.66 C ATOM 1198 C VAL A 75 -3.942 3.165 3.116 1.00 0.77 C ATOM 1199 O VAL A 75 -5.122 3.070 3.449 1.00 1.08 O ATOM 1200 CB VAL A 75 -2.445 3.297 5.169 1.00 0.75 C ATOM 1201 CG1 VAL A 75 -1.311 2.332 4.796 1.00 1.02 C ATOM 1202 CG2 VAL A 75 -1.885 4.238 6.255 1.00 1.23 C ATOM 0 H VAL A 75 -4.531 5.182 4.751 1.00 0.75 H new ATOM 0 HA VAL A 75 -2.106 4.258 3.289 1.00 0.66 H new ATOM 0 HB VAL A 75 -3.314 2.774 5.567 1.00 0.75 H new ATOM 0 HG11 VAL A 75 -0.956 1.824 5.693 1.00 1.02 H new ATOM 0 HG12 VAL A 75 -1.680 1.595 4.083 1.00 1.02 H new ATOM 0 HG13 VAL A 75 -0.490 2.891 4.347 1.00 1.02 H new ATOM 0 HG21 VAL A 75 -1.535 3.648 7.102 1.00 1.23 H new ATOM 0 HG22 VAL A 75 -1.054 4.813 5.845 1.00 1.23 H new ATOM 0 HG23 VAL A 75 -2.669 4.919 6.586 1.00 1.23 H new ATOM 1212 N ILE A 76 -3.474 2.540 2.036 1.00 0.54 N ATOM 1213 CA ILE A 76 -4.292 1.695 1.158 1.00 0.54 C ATOM 1214 C ILE A 76 -3.665 0.309 1.019 1.00 0.77 C ATOM 1215 O ILE A 76 -2.520 0.154 0.585 1.00 1.06 O ATOM 1216 CB ILE A 76 -4.515 2.358 -0.224 1.00 0.65 C ATOM 1217 CG1 ILE A 76 -5.303 3.686 -0.120 1.00 0.91 C ATOM 1218 CG2 ILE A 76 -5.333 1.423 -1.126 1.00 0.75 C ATOM 1219 CD1 ILE A 76 -4.403 4.915 -0.045 1.00 1.99 C ATOM 0 H ILE A 76 -2.500 2.606 1.739 1.00 0.54 H new ATOM 0 HA ILE A 76 -5.274 1.580 1.617 1.00 0.54 H new ATOM 0 HB ILE A 76 -3.525 2.555 -0.634 1.00 0.65 H new ATOM 0 HG12 ILE A 76 -5.962 3.778 -0.983 1.00 0.91 H new ATOM 0 HG13 ILE A 76 -5.939 3.655 0.765 1.00 0.91 H new ATOM 0 HG21 ILE A 76 -5.486 1.896 -2.096 1.00 0.75 H new ATOM 0 HG22 ILE A 76 -4.795 0.485 -1.260 1.00 0.75 H new ATOM 0 HG23 ILE A 76 -6.299 1.224 -0.663 1.00 0.75 H new ATOM 0 HD11 ILE A 76 -5.018 5.812 0.026 1.00 1.99 H new ATOM 0 HD12 ILE A 76 -3.762 4.843 0.834 1.00 1.99 H new ATOM 0 HD13 ILE A 76 -3.785 4.969 -0.941 1.00 1.99 H new ATOM 1231 N PHE A 77 -4.467 -0.711 1.306 1.00 0.53 N ATOM 1232 CA PHE A 77 -4.159 -2.092 0.964 1.00 0.52 C ATOM 1233 C PHE A 77 -4.876 -2.406 -0.354 1.00 1.35 C ATOM 1234 O PHE A 77 -6.103 -2.329 -0.439 1.00 1.73 O ATOM 1235 CB PHE A 77 -4.596 -3.015 2.108 1.00 0.57 C ATOM 1236 CG PHE A 77 -4.396 -4.484 1.789 1.00 0.75 C ATOM 1237 CD1 PHE A 77 -3.142 -5.096 1.980 1.00 1.99 C ATOM 1238 CD2 PHE A 77 -5.461 -5.230 1.249 1.00 1.69 C ATOM 1239 CE1 PHE A 77 -2.960 -6.452 1.653 1.00 1.83 C ATOM 1240 CE2 PHE A 77 -5.277 -6.581 0.909 1.00 1.82 C ATOM 1241 CZ PHE A 77 -4.031 -7.193 1.123 1.00 1.02 C ATOM 0 H PHE A 77 -5.359 -0.599 1.788 1.00 0.53 H new ATOM 0 HA PHE A 77 -3.089 -2.250 0.830 1.00 0.52 H new ATOM 0 HB2 PHE A 77 -4.033 -2.763 3.007 1.00 0.57 H new ATOM 0 HB3 PHE A 77 -5.648 -2.837 2.331 1.00 0.57 H new ATOM 0 HD1 PHE A 77 -2.318 -4.523 2.379 1.00 1.99 H new ATOM 0 HD2 PHE A 77 -6.422 -4.762 1.096 1.00 1.69 H new ATOM 0 HE1 PHE A 77 -2.000 -6.923 1.809 1.00 1.83 H new ATOM 0 HE2 PHE A 77 -6.092 -7.148 0.484 1.00 1.82 H new ATOM 0 HZ PHE A 77 -3.895 -8.236 0.880 1.00 1.02 H new ATOM 1251 N VAL A 78 -4.094 -2.725 -1.385 1.00 0.50 N ATOM 1252 CA VAL A 78 -4.605 -3.046 -2.721 1.00 0.59 C ATOM 1253 C VAL A 78 -4.571 -4.560 -2.894 1.00 0.84 C ATOM 1254 O VAL A 78 -3.516 -5.178 -2.732 1.00 1.03 O ATOM 1255 CB VAL A 78 -3.806 -2.333 -3.838 1.00 0.74 C ATOM 1256 CG1 VAL A 78 -4.387 -2.650 -5.227 1.00 1.08 C ATOM 1257 CG2 VAL A 78 -3.839 -0.806 -3.644 1.00 1.18 C ATOM 0 H VAL A 78 -3.077 -2.769 -1.317 1.00 0.50 H new ATOM 0 HA VAL A 78 -5.629 -2.684 -2.809 1.00 0.59 H new ATOM 0 HB VAL A 78 -2.780 -2.697 -3.776 1.00 0.74 H new ATOM 0 HG11 VAL A 78 -3.805 -2.135 -5.991 1.00 1.08 H new ATOM 0 HG12 VAL A 78 -4.345 -3.725 -5.402 1.00 1.08 H new ATOM 0 HG13 VAL A 78 -5.423 -2.315 -5.273 1.00 1.08 H new ATOM 0 HG21 VAL A 78 -3.271 -0.326 -4.441 1.00 1.18 H new ATOM 0 HG22 VAL A 78 -4.871 -0.458 -3.674 1.00 1.18 H new ATOM 0 HG23 VAL A 78 -3.398 -0.552 -2.680 1.00 1.18 H new ATOM 1267 N SER A 79 -5.724 -5.154 -3.203 1.00 0.69 N ATOM 1268 CA SER A 79 -5.835 -6.592 -3.481 1.00 0.78 C ATOM 1269 C SER A 79 -5.021 -7.015 -4.715 1.00 1.01 C ATOM 1270 O SER A 79 -4.996 -6.286 -5.705 1.00 1.41 O ATOM 1271 CB SER A 79 -7.291 -6.941 -3.783 1.00 1.38 C ATOM 1272 OG SER A 79 -7.706 -6.218 -4.928 1.00 3.10 O ATOM 0 H SER A 79 -6.610 -4.654 -3.268 1.00 0.69 H new ATOM 0 HA SER A 79 -5.456 -7.109 -2.599 1.00 0.78 H new ATOM 0 HB2 SER A 79 -7.394 -8.012 -3.955 1.00 1.38 H new ATOM 0 HB3 SER A 79 -7.923 -6.693 -2.930 1.00 1.38 H new ATOM 0 HG SER A 79 -6.923 -5.983 -5.468 1.00 3.10 H new ATOM 1278 N VAL A 80 -4.462 -8.226 -4.719 1.00 0.80 N ATOM 1279 CA VAL A 80 -3.812 -8.849 -5.902 1.00 0.81 C ATOM 1280 C VAL A 80 -4.559 -10.086 -6.440 1.00 1.22 C ATOM 1281 O VAL A 80 -4.073 -10.727 -7.372 1.00 1.47 O ATOM 1282 CB VAL A 80 -2.330 -9.191 -5.624 1.00 0.85 C ATOM 1283 CG1 VAL A 80 -1.532 -7.936 -5.217 1.00 2.11 C ATOM 1284 CG2 VAL A 80 -2.235 -10.297 -4.567 1.00 1.80 C ATOM 0 H VAL A 80 -4.441 -8.822 -3.892 1.00 0.80 H new ATOM 0 HA VAL A 80 -3.858 -8.093 -6.686 1.00 0.81 H new ATOM 0 HB VAL A 80 -1.879 -9.564 -6.544 1.00 0.85 H new ATOM 0 HG11 VAL A 80 -0.494 -8.210 -5.028 1.00 2.11 H new ATOM 0 HG12 VAL A 80 -1.573 -7.202 -6.022 1.00 2.11 H new ATOM 0 HG13 VAL A 80 -1.964 -7.508 -4.313 1.00 2.11 H new ATOM 0 HG21 VAL A 80 -1.187 -10.531 -4.378 1.00 1.80 H new ATOM 0 HG22 VAL A 80 -2.703 -9.958 -3.643 1.00 1.80 H new ATOM 0 HG23 VAL A 80 -2.747 -11.189 -4.927 1.00 1.80 H new ATOM 1294 N ASP A 81 -5.738 -10.417 -5.893 1.00 0.83 N ATOM 1295 CA ASP A 81 -6.633 -11.434 -6.467 1.00 0.95 C ATOM 1296 C ASP A 81 -8.115 -10.978 -6.429 1.00 1.22 C ATOM 1297 O ASP A 81 -8.747 -11.039 -5.370 1.00 1.53 O ATOM 1298 CB ASP A 81 -6.441 -12.806 -5.792 1.00 1.07 C ATOM 1299 CG ASP A 81 -7.106 -13.940 -6.593 1.00 1.83 C ATOM 1300 OD1 ASP A 81 -7.801 -13.662 -7.601 1.00 3.09 O ATOM 1301 OD2 ASP A 81 -6.873 -15.123 -6.259 1.00 2.18 O ATOM 0 H ASP A 81 -6.098 -9.988 -5.041 1.00 0.83 H new ATOM 0 HA ASP A 81 -6.359 -11.551 -7.516 1.00 0.95 H new ATOM 0 HB2 ASP A 81 -5.376 -13.013 -5.687 1.00 1.07 H new ATOM 0 HB3 ASP A 81 -6.861 -12.778 -4.787 1.00 1.07 H new ATOM 1306 N PRO A 82 -8.692 -10.543 -7.568 1.00 1.09 N ATOM 1307 CA PRO A 82 -10.059 -10.024 -7.629 1.00 1.26 C ATOM 1308 C PRO A 82 -11.132 -11.121 -7.544 1.00 1.35 C ATOM 1309 O PRO A 82 -12.283 -10.811 -7.247 1.00 1.72 O ATOM 1310 CB PRO A 82 -10.137 -9.272 -8.960 1.00 1.59 C ATOM 1311 CG PRO A 82 -9.148 -10.018 -9.849 1.00 1.49 C ATOM 1312 CD PRO A 82 -8.052 -10.435 -8.872 1.00 1.23 C ATOM 0 HA PRO A 82 -10.264 -9.383 -6.771 1.00 1.26 H new ATOM 0 HB2 PRO A 82 -11.145 -9.294 -9.375 1.00 1.59 H new ATOM 0 HB3 PRO A 82 -9.862 -8.224 -8.845 1.00 1.59 H new ATOM 0 HG2 PRO A 82 -9.609 -10.881 -10.330 1.00 1.49 H new ATOM 0 HG3 PRO A 82 -8.759 -9.381 -10.643 1.00 1.49 H new ATOM 0 HD2 PRO A 82 -7.607 -11.385 -9.168 1.00 1.23 H new ATOM 0 HD3 PRO A 82 -7.248 -9.700 -8.852 1.00 1.23 H new ATOM 1320 N GLU A 83 -10.781 -12.396 -7.770 1.00 1.08 N ATOM 1321 CA GLU A 83 -11.718 -13.527 -7.656 1.00 1.21 C ATOM 1322 C GLU A 83 -12.057 -13.881 -6.199 1.00 1.42 C ATOM 1323 O GLU A 83 -12.986 -14.649 -5.948 1.00 1.87 O ATOM 1324 CB GLU A 83 -11.071 -14.779 -8.265 1.00 1.18 C ATOM 1325 CG GLU A 83 -10.806 -14.728 -9.773 1.00 1.76 C ATOM 1326 CD GLU A 83 -9.839 -15.845 -10.173 1.00 1.98 C ATOM 1327 OE1 GLU A 83 -9.748 -16.869 -9.449 1.00 2.58 O ATOM 1328 OE2 GLU A 83 -9.048 -15.632 -11.113 1.00 2.69 O ATOM 0 H GLU A 83 -9.837 -12.674 -8.038 1.00 1.08 H new ATOM 0 HA GLU A 83 -12.629 -13.224 -8.172 1.00 1.21 H new ATOM 0 HB2 GLU A 83 -10.125 -14.960 -7.755 1.00 1.18 H new ATOM 0 HB3 GLU A 83 -11.714 -15.634 -8.057 1.00 1.18 H new ATOM 0 HG2 GLU A 83 -11.743 -14.834 -10.319 1.00 1.76 H new ATOM 0 HG3 GLU A 83 -10.387 -13.759 -10.044 1.00 1.76 H new ATOM 1335 N ARG A 84 -11.232 -13.403 -5.253 1.00 1.18 N ATOM 1336 CA ARG A 84 -11.031 -14.049 -3.948 1.00 1.17 C ATOM 1337 C ARG A 84 -10.719 -13.079 -2.800 1.00 1.34 C ATOM 1338 O ARG A 84 -10.944 -13.431 -1.643 1.00 1.56 O ATOM 1339 CB ARG A 84 -9.889 -15.073 -4.083 1.00 1.45 C ATOM 1340 CG ARG A 84 -10.335 -16.370 -4.771 1.00 2.40 C ATOM 1341 CD ARG A 84 -9.165 -17.299 -5.102 1.00 3.01 C ATOM 1342 NE ARG A 84 -9.642 -18.682 -5.180 1.00 3.47 N ATOM 1343 CZ ARG A 84 -10.264 -19.281 -6.180 1.00 4.69 C ATOM 1344 NH1 ARG A 84 -10.371 -18.806 -7.407 1.00 5.77 N ATOM 1345 NH2 ARG A 84 -10.815 -20.434 -5.892 1.00 5.26 N ATOM 0 H ARG A 84 -10.683 -12.552 -5.374 1.00 1.18 H new ATOM 0 HA ARG A 84 -11.975 -14.524 -3.682 1.00 1.17 H new ATOM 0 HB2 ARG A 84 -9.072 -14.628 -4.651 1.00 1.45 H new ATOM 0 HB3 ARG A 84 -9.498 -15.308 -3.093 1.00 1.45 H new ATOM 0 HG2 ARG A 84 -11.038 -16.895 -4.125 1.00 2.40 H new ATOM 0 HG3 ARG A 84 -10.868 -16.124 -5.689 1.00 2.40 H new ATOM 0 HD2 ARG A 84 -8.712 -17.006 -6.049 1.00 3.01 H new ATOM 0 HD3 ARG A 84 -8.392 -17.213 -4.338 1.00 3.01 H new ATOM 0 HE ARG A 84 -9.472 -19.257 -4.355 1.00 3.47 H new ATOM 0 HH11 ARG A 84 -9.953 -17.906 -7.644 1.00 5.77 H new ATOM 0 HH12 ARG A 84 -10.871 -19.339 -8.118 1.00 5.77 H new ATOM 0 HH21 ARG A 84 -10.746 -20.810 -4.946 1.00 5.26 H new ATOM 0 HH22 ARG A 84 -11.313 -20.956 -6.613 1.00 5.26 H new ATOM 1359 N ASP A 85 -10.229 -11.871 -3.079 1.00 0.96 N ATOM 1360 CA ASP A 85 -10.057 -10.796 -2.093 1.00 0.93 C ATOM 1361 C ASP A 85 -11.102 -9.691 -2.357 1.00 1.08 C ATOM 1362 O ASP A 85 -10.766 -8.656 -2.935 1.00 1.32 O ATOM 1363 CB ASP A 85 -8.600 -10.280 -2.173 1.00 1.07 C ATOM 1364 CG ASP A 85 -8.060 -9.664 -0.882 1.00 1.53 C ATOM 1365 OD1 ASP A 85 -8.835 -9.512 0.091 1.00 2.20 O ATOM 1366 OD2 ASP A 85 -6.830 -9.427 -0.840 1.00 2.40 O ATOM 0 H ASP A 85 -9.933 -11.603 -4.018 1.00 0.96 H new ATOM 0 HA ASP A 85 -10.224 -11.156 -1.078 1.00 0.93 H new ATOM 0 HB2 ASP A 85 -7.953 -11.108 -2.461 1.00 1.07 H new ATOM 0 HB3 ASP A 85 -8.537 -9.536 -2.967 1.00 1.07 H new ATOM 1371 N PRO A 86 -12.399 -9.900 -2.040 1.00 0.73 N ATOM 1372 CA PRO A 86 -13.436 -8.908 -2.315 1.00 0.85 C ATOM 1373 C PRO A 86 -13.226 -7.674 -1.425 1.00 1.00 C ATOM 1374 O PRO A 86 -12.727 -7.817 -0.306 1.00 0.78 O ATOM 1375 CB PRO A 86 -14.769 -9.613 -2.051 1.00 0.84 C ATOM 1376 CG PRO A 86 -14.401 -10.656 -0.997 1.00 0.79 C ATOM 1377 CD PRO A 86 -12.982 -11.063 -1.392 1.00 0.75 C ATOM 0 HA PRO A 86 -13.409 -8.541 -3.341 1.00 0.85 H new ATOM 0 HB2 PRO A 86 -15.527 -8.920 -1.686 1.00 0.84 H new ATOM 0 HB3 PRO A 86 -15.168 -10.075 -2.954 1.00 0.84 H new ATOM 0 HG2 PRO A 86 -14.436 -10.241 0.010 1.00 0.79 H new ATOM 0 HG3 PRO A 86 -15.084 -11.506 -1.015 1.00 0.79 H new ATOM 0 HD2 PRO A 86 -12.401 -11.354 -0.517 1.00 0.75 H new ATOM 0 HD3 PRO A 86 -12.995 -11.920 -2.066 1.00 0.75 H new ATOM 1385 N PRO A 87 -13.608 -6.464 -1.888 1.00 0.61 N ATOM 1386 CA PRO A 87 -13.181 -5.205 -1.275 1.00 0.73 C ATOM 1387 C PRO A 87 -13.606 -5.080 0.186 1.00 0.96 C ATOM 1388 O PRO A 87 -12.880 -4.493 0.977 1.00 0.82 O ATOM 1389 CB PRO A 87 -13.776 -4.092 -2.147 1.00 0.85 C ATOM 1390 CG PRO A 87 -14.917 -4.764 -2.908 1.00 0.82 C ATOM 1391 CD PRO A 87 -14.434 -6.203 -3.060 1.00 0.65 C ATOM 0 HA PRO A 87 -12.093 -5.145 -1.241 1.00 0.73 H new ATOM 0 HB2 PRO A 87 -14.139 -3.264 -1.539 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -13.031 -3.683 -2.830 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -15.856 -4.710 -2.356 1.00 0.82 H new ATOM 0 HG3 PRO A 87 -15.089 -4.292 -3.876 1.00 0.82 H new ATOM 0 HD2 PRO A 87 -15.274 -6.896 -3.110 1.00 0.65 H new ATOM 0 HD3 PRO A 87 -13.862 -6.330 -3.979 1.00 0.65 H new ATOM 1399 N GLU A 88 -14.731 -5.688 0.569 1.00 0.61 N ATOM 1400 CA GLU A 88 -15.181 -5.734 1.961 1.00 0.64 C ATOM 1401 C GLU A 88 -14.223 -6.521 2.865 1.00 0.99 C ATOM 1402 O GLU A 88 -13.972 -6.098 3.982 1.00 1.20 O ATOM 1403 CB GLU A 88 -16.572 -6.373 2.020 1.00 0.80 C ATOM 1404 CG GLU A 88 -17.615 -5.587 1.218 1.00 1.53 C ATOM 1405 CD GLU A 88 -18.949 -6.316 1.224 1.00 2.57 C ATOM 1406 OE1 GLU A 88 -18.954 -7.485 0.786 1.00 3.50 O ATOM 1407 OE2 GLU A 88 -19.929 -5.685 1.673 1.00 3.36 O ATOM 0 H GLU A 88 -15.357 -6.164 -0.080 1.00 0.61 H new ATOM 0 HA GLU A 88 -15.208 -4.709 2.330 1.00 0.64 H new ATOM 0 HB2 GLU A 88 -16.516 -7.392 1.637 1.00 0.80 H new ATOM 0 HB3 GLU A 88 -16.893 -6.440 3.059 1.00 0.80 H new ATOM 0 HG2 GLU A 88 -17.736 -4.591 1.644 1.00 1.53 H new ATOM 0 HG3 GLU A 88 -17.270 -5.455 0.192 1.00 1.53 H new ATOM 1414 N VAL A 89 -13.686 -7.657 2.409 1.00 0.63 N ATOM 1415 CA VAL A 89 -12.777 -8.527 3.191 1.00 0.63 C ATOM 1416 C VAL A 89 -11.399 -7.878 3.348 1.00 0.89 C ATOM 1417 O VAL A 89 -10.851 -7.854 4.452 1.00 0.74 O ATOM 1418 CB VAL A 89 -12.664 -9.934 2.562 1.00 0.70 C ATOM 1419 CG1 VAL A 89 -11.558 -10.802 3.188 1.00 0.87 C ATOM 1420 CG2 VAL A 89 -14.005 -10.676 2.726 1.00 0.97 C ATOM 0 H VAL A 89 -13.869 -8.011 1.470 1.00 0.63 H new ATOM 0 HA VAL A 89 -13.207 -8.647 4.186 1.00 0.63 H new ATOM 0 HB VAL A 89 -12.408 -9.780 1.514 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -11.537 -11.775 2.697 1.00 0.87 H new ATOM 0 HG12 VAL A 89 -10.594 -10.310 3.060 1.00 0.87 H new ATOM 0 HG13 VAL A 89 -11.759 -10.936 4.251 1.00 0.87 H new ATOM 0 HG21 VAL A 89 -13.928 -11.669 2.283 1.00 0.97 H new ATOM 0 HG22 VAL A 89 -14.242 -10.769 3.786 1.00 0.97 H new ATOM 0 HG23 VAL A 89 -14.795 -10.116 2.225 1.00 0.97 H new ATOM 1430 N ALA A 90 -10.879 -7.299 2.260 1.00 0.61 N ATOM 1431 CA ALA A 90 -9.699 -6.439 2.272 1.00 0.63 C ATOM 1432 C ALA A 90 -9.845 -5.281 3.283 1.00 0.81 C ATOM 1433 O ALA A 90 -8.944 -5.046 4.089 1.00 0.90 O ATOM 1434 CB ALA A 90 -9.470 -5.970 0.823 1.00 0.69 C ATOM 0 H ALA A 90 -11.278 -7.420 1.329 1.00 0.61 H new ATOM 0 HA ALA A 90 -8.819 -6.982 2.616 1.00 0.63 H new ATOM 0 HB1 ALA A 90 -8.594 -5.322 0.784 1.00 0.69 H new ATOM 0 HB2 ALA A 90 -9.309 -6.836 0.181 1.00 0.69 H new ATOM 0 HB3 ALA A 90 -10.344 -5.419 0.476 1.00 0.69 H new ATOM 1440 N ASP A 91 -10.997 -4.604 3.288 1.00 0.53 N ATOM 1441 CA ASP A 91 -11.277 -3.479 4.190 1.00 0.53 C ATOM 1442 C ASP A 91 -11.452 -3.922 5.649 1.00 0.95 C ATOM 1443 O ASP A 91 -10.878 -3.290 6.523 1.00 0.99 O ATOM 1444 CB ASP A 91 -12.496 -2.692 3.686 1.00 0.57 C ATOM 1445 CG ASP A 91 -12.603 -1.300 4.318 1.00 0.74 C ATOM 1446 OD1 ASP A 91 -11.788 -0.430 3.932 1.00 1.99 O ATOM 1447 OD2 ASP A 91 -13.508 -1.081 5.152 1.00 1.68 O ATOM 0 H ASP A 91 -11.771 -4.823 2.660 1.00 0.53 H new ATOM 0 HA ASP A 91 -10.408 -2.822 4.180 1.00 0.53 H new ATOM 0 HB2 ASP A 91 -12.436 -2.591 2.602 1.00 0.57 H new ATOM 0 HB3 ASP A 91 -13.403 -3.256 3.903 1.00 0.57 H new ATOM 1452 N ARG A 92 -12.149 -5.035 5.929 1.00 0.62 N ATOM 1453 CA ARG A 92 -12.253 -5.607 7.285 1.00 0.70 C ATOM 1454 C ARG A 92 -10.870 -5.795 7.907 1.00 1.13 C ATOM 1455 O ARG A 92 -10.635 -5.370 9.036 1.00 1.42 O ATOM 1456 CB ARG A 92 -12.942 -6.982 7.244 1.00 0.87 C ATOM 1457 CG ARG A 92 -14.391 -6.943 6.752 1.00 1.14 C ATOM 1458 CD ARG A 92 -15.461 -7.059 7.831 1.00 1.34 C ATOM 1459 NE ARG A 92 -15.556 -5.807 8.595 1.00 2.49 N ATOM 1460 CZ ARG A 92 -16.480 -5.510 9.499 1.00 3.54 C ATOM 1461 NH1 ARG A 92 -17.441 -6.356 9.809 1.00 3.53 N ATOM 1462 NH2 ARG A 92 -16.443 -4.340 10.101 1.00 5.10 N ATOM 0 H ARG A 92 -12.658 -5.566 5.222 1.00 0.62 H new ATOM 0 HA ARG A 92 -12.839 -4.909 7.883 1.00 0.70 H new ATOM 0 HB2 ARG A 92 -12.368 -7.644 6.596 1.00 0.87 H new ATOM 0 HB3 ARG A 92 -12.921 -7.416 8.243 1.00 0.87 H new ATOM 0 HG2 ARG A 92 -14.546 -6.009 6.212 1.00 1.14 H new ATOM 0 HG3 ARG A 92 -14.534 -7.753 6.037 1.00 1.14 H new ATOM 0 HD2 ARG A 92 -16.424 -7.288 7.374 1.00 1.34 H new ATOM 0 HD3 ARG A 92 -15.222 -7.884 8.502 1.00 1.34 H new ATOM 0 HE ARG A 92 -14.844 -5.100 8.413 1.00 2.49 H new ATOM 0 HH11 ARG A 92 -17.487 -7.266 9.350 1.00 3.53 H new ATOM 0 HH12 ARG A 92 -18.139 -6.101 10.508 1.00 3.53 H new ATOM 0 HH21 ARG A 92 -15.708 -3.671 9.871 1.00 5.10 H new ATOM 0 HH22 ARG A 92 -17.149 -4.102 10.798 1.00 5.10 H new ATOM 1476 N TYR A 93 -9.964 -6.426 7.163 1.00 0.61 N ATOM 1477 CA TYR A 93 -8.603 -6.712 7.634 1.00 0.65 C ATOM 1478 C TYR A 93 -7.790 -5.418 7.854 1.00 1.07 C ATOM 1479 O TYR A 93 -7.206 -5.227 8.920 1.00 1.31 O ATOM 1480 CB TYR A 93 -7.904 -7.684 6.661 1.00 0.69 C ATOM 1481 CG TYR A 93 -6.920 -8.686 7.260 1.00 1.02 C ATOM 1482 CD1 TYR A 93 -6.316 -8.504 8.527 1.00 2.13 C ATOM 1483 CD2 TYR A 93 -6.637 -9.858 6.533 1.00 1.88 C ATOM 1484 CE1 TYR A 93 -5.472 -9.496 9.067 1.00 2.34 C ATOM 1485 CE2 TYR A 93 -5.776 -10.842 7.053 1.00 2.21 C ATOM 1486 CZ TYR A 93 -5.203 -10.671 8.329 1.00 1.85 C ATOM 1487 OH TYR A 93 -4.418 -11.648 8.855 1.00 2.42 O ATOM 0 H TYR A 93 -10.149 -6.755 6.215 1.00 0.61 H new ATOM 0 HA TYR A 93 -8.667 -7.197 8.608 1.00 0.65 H new ATOM 0 HB2 TYR A 93 -8.675 -8.244 6.131 1.00 0.69 H new ATOM 0 HB3 TYR A 93 -7.372 -7.092 5.917 1.00 0.69 H new ATOM 0 HD1 TYR A 93 -6.503 -7.598 9.085 1.00 2.13 H new ATOM 0 HD2 TYR A 93 -7.087 -10.004 5.562 1.00 1.88 H new ATOM 0 HE1 TYR A 93 -5.032 -9.358 10.043 1.00 2.34 H new ATOM 0 HE2 TYR A 93 -5.555 -11.727 6.475 1.00 2.21 H new ATOM 0 HH TYR A 93 -4.339 -12.385 8.214 1.00 2.42 H new ATOM 1497 N ALA A 94 -7.785 -4.498 6.885 1.00 0.61 N ATOM 1498 CA ALA A 94 -7.040 -3.235 6.937 1.00 0.63 C ATOM 1499 C ALA A 94 -7.567 -2.264 8.023 1.00 0.92 C ATOM 1500 O ALA A 94 -6.785 -1.731 8.815 1.00 1.00 O ATOM 1501 CB ALA A 94 -7.078 -2.676 5.508 1.00 0.66 C ATOM 0 H ALA A 94 -8.313 -4.613 6.020 1.00 0.61 H new ATOM 0 HA ALA A 94 -6.008 -3.389 7.251 1.00 0.63 H new ATOM 0 HB1 ALA A 94 -6.538 -1.730 5.473 1.00 0.66 H new ATOM 0 HB2 ALA A 94 -6.609 -3.386 4.827 1.00 0.66 H new ATOM 0 HB3 ALA A 94 -8.113 -2.515 5.208 1.00 0.66 H new ATOM 1507 N LYS A 95 -8.887 -2.089 8.137 1.00 0.78 N ATOM 1508 CA LYS A 95 -9.520 -1.250 9.170 1.00 0.93 C ATOM 1509 C LYS A 95 -9.291 -1.775 10.598 1.00 1.11 C ATOM 1510 O LYS A 95 -9.191 -0.973 11.529 1.00 1.29 O ATOM 1511 CB LYS A 95 -11.036 -1.154 8.940 1.00 1.02 C ATOM 1512 CG LYS A 95 -11.495 -0.435 7.667 1.00 1.80 C ATOM 1513 CD LYS A 95 -11.355 1.085 7.748 1.00 1.45 C ATOM 1514 CE LYS A 95 -11.965 1.679 6.473 1.00 1.80 C ATOM 1515 NZ LYS A 95 -11.596 3.105 6.310 1.00 2.50 N ATOM 0 H LYS A 95 -9.558 -2.530 7.508 1.00 0.78 H new ATOM 0 HA LYS A 95 -9.049 -0.271 9.081 1.00 0.93 H new ATOM 0 HB2 LYS A 95 -11.443 -2.165 8.925 1.00 1.02 H new ATOM 0 HB3 LYS A 95 -11.479 -0.645 9.796 1.00 1.02 H new ATOM 0 HG2 LYS A 95 -10.914 -0.802 6.821 1.00 1.80 H new ATOM 0 HG3 LYS A 95 -12.537 -0.687 7.471 1.00 1.80 H new ATOM 0 HD2 LYS A 95 -11.866 1.469 8.631 1.00 1.45 H new ATOM 0 HD3 LYS A 95 -10.306 1.368 7.838 1.00 1.45 H new ATOM 0 HE2 LYS A 95 -11.624 1.112 5.607 1.00 1.80 H new ATOM 0 HE3 LYS A 95 -13.050 1.584 6.509 1.00 1.80 H new ATOM 0 HZ1 LYS A 95 -12.143 3.518 5.528 1.00 2.50 H new ATOM 0 HZ2 LYS A 95 -11.805 3.620 7.189 1.00 2.50 H new ATOM 0 HZ3 LYS A 95 -10.580 3.179 6.099 1.00 2.50 H new ATOM 1529 N ALA A 96 -9.214 -3.099 10.783 1.00 1.03 N ATOM 1530 CA ALA A 96 -8.964 -3.746 12.079 1.00 1.14 C ATOM 1531 C ALA A 96 -7.553 -3.481 12.624 1.00 1.18 C ATOM 1532 O ALA A 96 -7.347 -3.484 13.836 1.00 1.33 O ATOM 1533 CB ALA A 96 -9.200 -5.245 11.912 1.00 1.27 C ATOM 0 H ALA A 96 -9.326 -3.766 10.019 1.00 1.03 H new ATOM 0 HA ALA A 96 -9.649 -3.320 12.812 1.00 1.14 H new ATOM 0 HB1 ALA A 96 -9.021 -5.750 12.861 1.00 1.27 H new ATOM 0 HB2 ALA A 96 -10.229 -5.418 11.597 1.00 1.27 H new ATOM 0 HB3 ALA A 96 -8.519 -5.639 11.158 1.00 1.27 H new ATOM 1539 N PHE A 97 -6.600 -3.188 11.733 1.00 0.96 N ATOM 1540 CA PHE A 97 -5.341 -2.574 12.123 1.00 0.99 C ATOM 1541 C PHE A 97 -5.533 -1.131 12.561 1.00 2.03 C ATOM 1542 O PHE A 97 -5.110 -0.775 13.662 1.00 2.37 O ATOM 1543 CB PHE A 97 -4.329 -2.724 10.982 1.00 1.03 C ATOM 1544 CG PHE A 97 -3.711 -4.087 11.081 1.00 1.07 C ATOM 1545 CD1 PHE A 97 -2.891 -4.364 12.185 1.00 1.67 C ATOM 1546 CD2 PHE A 97 -4.107 -5.110 10.209 1.00 2.33 C ATOM 1547 CE1 PHE A 97 -2.489 -5.685 12.433 1.00 1.74 C ATOM 1548 CE2 PHE A 97 -3.683 -6.425 10.443 1.00 2.17 C ATOM 1549 CZ PHE A 97 -2.884 -6.716 11.564 1.00 1.29 C ATOM 0 H PHE A 97 -6.684 -3.370 10.733 1.00 0.96 H new ATOM 0 HA PHE A 97 -4.941 -3.091 12.996 1.00 0.99 H new ATOM 0 HB2 PHE A 97 -4.822 -2.599 10.018 1.00 1.03 H new ATOM 0 HB3 PHE A 97 -3.562 -1.953 11.050 1.00 1.03 H new ATOM 0 HD1 PHE A 97 -2.572 -3.566 12.839 1.00 1.67 H new ATOM 0 HD2 PHE A 97 -4.736 -4.886 9.360 1.00 2.33 H new ATOM 0 HE1 PHE A 97 -1.875 -5.910 13.293 1.00 1.74 H new ATOM 0 HE2 PHE A 97 -3.969 -7.214 9.764 1.00 2.17 H new ATOM 0 HZ PHE A 97 -2.574 -7.733 11.757 1.00 1.29 H new ATOM 1559 N HIS A 98 -6.169 -0.311 11.722 1.00 0.99 N ATOM 1560 CA HIS A 98 -6.479 1.078 12.018 1.00 1.04 C ATOM 1561 C HIS A 98 -7.475 1.706 11.016 1.00 1.36 C ATOM 1562 O HIS A 98 -7.459 1.320 9.847 1.00 1.44 O ATOM 1563 CB HIS A 98 -5.157 1.847 12.117 1.00 1.00 C ATOM 1564 CG HIS A 98 -4.570 2.504 10.898 1.00 2.05 C ATOM 1565 ND1 HIS A 98 -4.766 2.178 9.577 1.00 3.07 N ATOM 1566 CD2 HIS A 98 -3.636 3.501 10.929 1.00 3.27 C ATOM 1567 CE1 HIS A 98 -3.970 2.960 8.833 1.00 4.51 C ATOM 1568 NE2 HIS A 98 -3.276 3.799 9.615 1.00 4.65 N ATOM 0 H HIS A 98 -6.487 -0.606 10.799 1.00 0.99 H new ATOM 0 HA HIS A 98 -7.002 1.136 12.972 1.00 1.04 H new ATOM 0 HB2 HIS A 98 -5.291 2.624 12.870 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -4.409 1.155 12.503 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -5.405 1.466 9.224 1.00 3.07 H new ATOM 0 HD2 HIS A 98 -3.245 3.976 11.817 1.00 3.27 H new ATOM 0 HE1 HIS A 98 -3.898 2.920 7.756 1.00 4.51 H new ATOM 1577 N PRO A 99 -8.296 2.700 11.412 1.00 1.28 N ATOM 1578 CA PRO A 99 -9.358 3.245 10.564 1.00 1.53 C ATOM 1579 C PRO A 99 -8.858 4.061 9.359 1.00 1.76 C ATOM 1580 O PRO A 99 -9.597 4.196 8.384 1.00 1.80 O ATOM 1581 CB PRO A 99 -10.224 4.095 11.501 1.00 1.84 C ATOM 1582 CG PRO A 99 -9.250 4.530 12.593 1.00 1.80 C ATOM 1583 CD PRO A 99 -8.341 3.312 12.734 1.00 1.48 C ATOM 0 HA PRO A 99 -9.913 2.430 10.098 1.00 1.53 H new ATOM 0 HB2 PRO A 99 -10.654 4.952 10.982 1.00 1.84 H new ATOM 0 HB3 PRO A 99 -11.055 3.520 11.910 1.00 1.84 H new ATOM 0 HG2 PRO A 99 -8.692 5.421 12.306 1.00 1.80 H new ATOM 0 HG3 PRO A 99 -9.764 4.762 13.526 1.00 1.80 H new ATOM 0 HD2 PRO A 99 -7.344 3.603 13.065 1.00 1.48 H new ATOM 0 HD3 PRO A 99 -8.732 2.615 13.475 1.00 1.48 H new ATOM 1591 N SER A 100 -7.619 4.566 9.392 1.00 1.42 N ATOM 1592 CA SER A 100 -6.972 5.286 8.274 1.00 1.55 C ATOM 1593 C SER A 100 -6.418 4.348 7.185 1.00 1.50 C ATOM 1594 O SER A 100 -5.723 4.791 6.262 1.00 1.71 O ATOM 1595 CB SER A 100 -5.887 6.233 8.812 1.00 1.74 C ATOM 1596 OG SER A 100 -6.474 7.135 9.731 1.00 2.08 O ATOM 0 H SER A 100 -7.019 4.487 10.213 1.00 1.42 H new ATOM 0 HA SER A 100 -7.745 5.877 7.783 1.00 1.55 H new ATOM 0 HB2 SER A 100 -5.097 5.661 9.299 1.00 1.74 H new ATOM 0 HB3 SER A 100 -5.425 6.781 7.991 1.00 1.74 H new ATOM 0 HG SER A 100 -5.777 7.522 10.300 1.00 2.08 H new ATOM 1602 N PHE A 101 -6.779 3.054 7.260 1.00 1.09 N ATOM 1603 CA PHE A 101 -6.640 2.129 6.144 1.00 0.97 C ATOM 1604 C PHE A 101 -7.924 2.113 5.309 1.00 1.87 C ATOM 1605 O PHE A 101 -9.029 2.236 5.838 1.00 2.32 O ATOM 1606 CB PHE A 101 -6.366 0.700 6.641 1.00 0.97 C ATOM 1607 CG PHE A 101 -4.971 0.185 6.356 1.00 1.71 C ATOM 1608 CD1 PHE A 101 -4.499 0.116 5.032 1.00 3.46 C ATOM 1609 CD2 PHE A 101 -4.157 -0.266 7.410 1.00 1.96 C ATOM 1610 CE1 PHE A 101 -3.188 -0.317 4.772 1.00 4.22 C ATOM 1611 CE2 PHE A 101 -2.829 -0.647 7.159 1.00 2.23 C ATOM 1612 CZ PHE A 101 -2.337 -0.643 5.842 1.00 3.22 C ATOM 0 H PHE A 101 -7.174 2.630 8.100 1.00 1.09 H new ATOM 0 HA PHE A 101 -5.800 2.468 5.538 1.00 0.97 H new ATOM 0 HB2 PHE A 101 -6.538 0.665 7.717 1.00 0.97 H new ATOM 0 HB3 PHE A 101 -7.088 0.026 6.181 1.00 0.97 H new ATOM 0 HD1 PHE A 101 -5.146 0.397 4.214 1.00 3.46 H new ATOM 0 HD2 PHE A 101 -4.553 -0.319 8.413 1.00 1.96 H new ATOM 0 HE1 PHE A 101 -2.836 -0.399 3.754 1.00 4.22 H new ATOM 0 HE2 PHE A 101 -2.187 -0.942 7.976 1.00 2.23 H new ATOM 0 HZ PHE A 101 -1.303 -0.891 5.652 1.00 3.22 H new ATOM 1622 N LEU A 102 -7.775 1.881 4.008 1.00 0.83 N ATOM 1623 CA LEU A 102 -8.808 1.382 3.104 1.00 0.73 C ATOM 1624 C LEU A 102 -8.341 0.028 2.566 1.00 0.91 C ATOM 1625 O LEU A 102 -7.158 -0.102 2.242 1.00 1.19 O ATOM 1626 CB LEU A 102 -8.976 2.342 1.908 1.00 1.00 C ATOM 1627 CG LEU A 102 -9.724 3.670 2.118 1.00 1.28 C ATOM 1628 CD1 LEU A 102 -11.167 3.440 2.588 1.00 1.75 C ATOM 1629 CD2 LEU A 102 -9.007 4.651 3.060 1.00 2.63 C ATOM 0 H LEU A 102 -6.888 2.044 3.532 1.00 0.83 H new ATOM 0 HA LEU A 102 -9.755 1.299 3.637 1.00 0.73 H new ATOM 0 HB2 LEU A 102 -7.980 2.581 1.535 1.00 1.00 H new ATOM 0 HB3 LEU A 102 -9.490 1.796 1.117 1.00 1.00 H new ATOM 0 HG LEU A 102 -9.740 4.141 1.135 1.00 1.28 H new ATOM 0 HD11 LEU A 102 -11.663 4.401 2.725 1.00 1.75 H new ATOM 0 HD12 LEU A 102 -11.705 2.858 1.840 1.00 1.75 H new ATOM 0 HD13 LEU A 102 -11.160 2.897 3.533 1.00 1.75 H new ATOM 0 HD21 LEU A 102 -9.598 5.562 3.155 1.00 2.63 H new ATOM 0 HD22 LEU A 102 -8.887 4.192 4.041 1.00 2.63 H new ATOM 0 HD23 LEU A 102 -8.026 4.896 2.652 1.00 2.63 H new ATOM 1641 N GLY A 103 -9.266 -0.919 2.393 1.00 0.52 N ATOM 1642 CA GLY A 103 -9.078 -2.085 1.525 1.00 0.51 C ATOM 1643 C GLY A 103 -9.775 -1.863 0.187 1.00 0.62 C ATOM 1644 O GLY A 103 -10.978 -1.590 0.157 1.00 0.74 O ATOM 0 H GLY A 103 -10.175 -0.898 2.855 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -8.014 -2.260 1.365 1.00 0.51 H new ATOM 0 HA3 GLY A 103 -9.479 -2.976 2.009 1.00 0.51 H new ATOM 1648 N LEU A 104 -9.028 -1.971 -0.918 1.00 0.50 N ATOM 1649 CA LEU A 104 -9.525 -1.764 -2.279 1.00 0.57 C ATOM 1650 C LEU A 104 -9.372 -3.046 -3.108 1.00 1.08 C ATOM 1651 O LEU A 104 -8.316 -3.678 -3.124 1.00 1.31 O ATOM 1652 CB LEU A 104 -8.804 -0.575 -2.946 1.00 0.61 C ATOM 1653 CG LEU A 104 -8.906 0.785 -2.222 1.00 0.73 C ATOM 1654 CD1 LEU A 104 -8.215 1.869 -3.064 1.00 0.90 C ATOM 1655 CD2 LEU A 104 -10.343 1.249 -1.946 1.00 1.10 C ATOM 0 H LEU A 104 -8.037 -2.211 -0.887 1.00 0.50 H new ATOM 0 HA LEU A 104 -10.587 -1.523 -2.229 1.00 0.57 H new ATOM 0 HB2 LEU A 104 -7.749 -0.829 -3.048 1.00 0.61 H new ATOM 0 HB3 LEU A 104 -9.202 -0.456 -3.954 1.00 0.61 H new ATOM 0 HG LEU A 104 -8.421 0.639 -1.257 1.00 0.73 H new ATOM 0 HD11 LEU A 104 -8.288 2.829 -2.552 1.00 0.90 H new ATOM 0 HD12 LEU A 104 -7.165 1.609 -3.201 1.00 0.90 H new ATOM 0 HD13 LEU A 104 -8.701 1.939 -4.037 1.00 0.90 H new ATOM 0 HD21 LEU A 104 -10.323 2.212 -1.435 1.00 1.10 H new ATOM 0 HD22 LEU A 104 -10.880 1.350 -2.889 1.00 1.10 H new ATOM 0 HD23 LEU A 104 -10.848 0.515 -1.317 1.00 1.10 H new ATOM 1667 N SER A 105 -10.448 -3.441 -3.779 1.00 0.72 N ATOM 1668 CA SER A 105 -10.506 -4.516 -4.771 1.00 0.73 C ATOM 1669 C SER A 105 -11.602 -4.205 -5.801 1.00 1.08 C ATOM 1670 O SER A 105 -12.485 -3.393 -5.533 1.00 1.52 O ATOM 1671 CB SER A 105 -10.763 -5.844 -4.069 1.00 0.79 C ATOM 1672 OG SER A 105 -10.759 -6.944 -4.960 1.00 1.06 O ATOM 0 H SER A 105 -11.356 -2.997 -3.640 1.00 0.72 H new ATOM 0 HA SER A 105 -9.555 -4.590 -5.299 1.00 0.73 H new ATOM 0 HB2 SER A 105 -10.002 -5.999 -3.304 1.00 0.79 H new ATOM 0 HB3 SER A 105 -11.725 -5.800 -3.558 1.00 0.79 H new ATOM 0 HG SER A 105 -10.759 -7.780 -4.448 1.00 1.06 H new ATOM 1678 N GLY A 106 -11.608 -4.874 -6.950 1.00 0.78 N ATOM 1679 CA GLY A 106 -12.620 -4.660 -7.982 1.00 0.89 C ATOM 1680 C GLY A 106 -12.468 -5.622 -9.150 1.00 0.88 C ATOM 1681 O GLY A 106 -12.166 -6.799 -8.976 1.00 0.93 O ATOM 0 H GLY A 106 -10.912 -5.579 -7.193 1.00 0.78 H new ATOM 0 HA2 GLY A 106 -13.612 -4.777 -7.545 1.00 0.89 H new ATOM 0 HA3 GLY A 106 -12.552 -3.635 -8.347 1.00 0.89 H new ATOM 1685 N SER A 107 -12.695 -5.119 -10.358 1.00 0.85 N ATOM 1686 CA SER A 107 -12.520 -5.897 -11.583 1.00 0.85 C ATOM 1687 C SER A 107 -11.025 -6.098 -11.928 1.00 0.97 C ATOM 1688 O SER A 107 -10.190 -5.256 -11.563 1.00 0.97 O ATOM 1689 CB SER A 107 -13.315 -5.239 -12.725 1.00 1.05 C ATOM 1690 OG SER A 107 -12.535 -4.313 -13.452 1.00 1.96 O ATOM 0 H SER A 107 -13.006 -4.161 -10.518 1.00 0.85 H new ATOM 0 HA SER A 107 -12.919 -6.900 -11.430 1.00 0.85 H new ATOM 0 HB2 SER A 107 -13.684 -6.011 -13.401 1.00 1.05 H new ATOM 0 HB3 SER A 107 -14.188 -4.732 -12.313 1.00 1.05 H new ATOM 0 HG SER A 107 -11.942 -4.795 -14.066 1.00 1.96 H new ATOM 1696 N PRO A 108 -10.654 -7.189 -12.634 1.00 0.94 N ATOM 1697 CA PRO A 108 -9.257 -7.507 -12.927 1.00 1.08 C ATOM 1698 C PRO A 108 -8.555 -6.424 -13.753 1.00 1.30 C ATOM 1699 O PRO A 108 -7.380 -6.172 -13.516 1.00 1.16 O ATOM 1700 CB PRO A 108 -9.277 -8.860 -13.653 1.00 1.36 C ATOM 1701 CG PRO A 108 -10.690 -8.955 -14.223 1.00 1.31 C ATOM 1702 CD PRO A 108 -11.527 -8.220 -13.178 1.00 1.10 C ATOM 0 HA PRO A 108 -8.677 -7.556 -12.005 1.00 1.08 H new ATOM 0 HB2 PRO A 108 -8.525 -8.901 -14.441 1.00 1.36 H new ATOM 0 HB3 PRO A 108 -9.067 -9.683 -12.969 1.00 1.36 H new ATOM 0 HG2 PRO A 108 -10.763 -8.484 -15.203 1.00 1.31 H new ATOM 0 HG3 PRO A 108 -11.009 -9.990 -14.342 1.00 1.31 H new ATOM 0 HD2 PRO A 108 -12.419 -7.782 -13.627 1.00 1.10 H new ATOM 0 HD3 PRO A 108 -11.865 -8.901 -12.396 1.00 1.10 H new ATOM 1710 N GLU A 109 -9.264 -5.742 -14.656 1.00 0.97 N ATOM 1711 CA GLU A 109 -8.770 -4.564 -15.378 1.00 0.96 C ATOM 1712 C GLU A 109 -8.440 -3.436 -14.390 1.00 1.07 C ATOM 1713 O GLU A 109 -7.304 -2.969 -14.345 1.00 1.33 O ATOM 1714 CB GLU A 109 -9.772 -4.053 -16.440 1.00 1.12 C ATOM 1715 CG GLU A 109 -10.555 -5.119 -17.222 1.00 1.25 C ATOM 1716 CD GLU A 109 -11.891 -5.413 -16.539 1.00 2.07 C ATOM 1717 OE1 GLU A 109 -11.864 -5.867 -15.370 1.00 2.85 O ATOM 1718 OE2 GLU A 109 -12.941 -5.121 -17.134 1.00 3.33 O ATOM 0 H GLU A 109 -10.218 -5.998 -14.912 1.00 0.97 H new ATOM 0 HA GLU A 109 -7.867 -4.872 -15.905 1.00 0.96 H new ATOM 0 HB2 GLU A 109 -10.490 -3.400 -15.944 1.00 1.12 H new ATOM 0 HB3 GLU A 109 -9.225 -3.440 -17.156 1.00 1.12 H new ATOM 0 HG2 GLU A 109 -10.729 -4.775 -18.242 1.00 1.25 H new ATOM 0 HG3 GLU A 109 -9.966 -6.034 -17.290 1.00 1.25 H new ATOM 1725 N ALA A 110 -9.399 -3.040 -13.540 1.00 0.74 N ATOM 1726 CA ALA A 110 -9.220 -1.954 -12.572 1.00 0.65 C ATOM 1727 C ALA A 110 -8.071 -2.248 -11.596 1.00 0.80 C ATOM 1728 O ALA A 110 -7.174 -1.424 -11.422 1.00 0.82 O ATOM 1729 CB ALA A 110 -10.555 -1.730 -11.850 1.00 0.69 C ATOM 0 H ALA A 110 -10.324 -3.468 -13.507 1.00 0.74 H new ATOM 0 HA ALA A 110 -8.936 -1.039 -13.091 1.00 0.65 H new ATOM 0 HB1 ALA A 110 -10.445 -0.925 -11.124 1.00 0.69 H new ATOM 0 HB2 ALA A 110 -11.321 -1.461 -12.577 1.00 0.69 H new ATOM 0 HB3 ALA A 110 -10.849 -2.645 -11.336 1.00 0.69 H new ATOM 1735 N VAL A 111 -8.043 -3.453 -11.018 1.00 0.61 N ATOM 1736 CA VAL A 111 -6.938 -3.871 -10.136 1.00 0.66 C ATOM 1737 C VAL A 111 -5.588 -3.887 -10.888 1.00 1.07 C ATOM 1738 O VAL A 111 -4.564 -3.460 -10.344 1.00 0.98 O ATOM 1739 CB VAL A 111 -7.232 -5.239 -9.480 1.00 0.71 C ATOM 1740 CG1 VAL A 111 -6.071 -5.704 -8.589 1.00 1.15 C ATOM 1741 CG2 VAL A 111 -8.493 -5.184 -8.593 1.00 1.21 C ATOM 0 H VAL A 111 -8.769 -4.158 -11.142 1.00 0.61 H new ATOM 0 HA VAL A 111 -6.858 -3.132 -9.339 1.00 0.66 H new ATOM 0 HB VAL A 111 -7.378 -5.937 -10.305 1.00 0.71 H new ATOM 0 HG11 VAL A 111 -6.316 -6.669 -8.146 1.00 1.15 H new ATOM 0 HG12 VAL A 111 -5.167 -5.800 -9.190 1.00 1.15 H new ATOM 0 HG13 VAL A 111 -5.905 -4.973 -7.797 1.00 1.15 H new ATOM 0 HG21 VAL A 111 -8.668 -6.164 -8.149 1.00 1.21 H new ATOM 0 HG22 VAL A 111 -8.350 -4.447 -7.803 1.00 1.21 H new ATOM 0 HG23 VAL A 111 -9.353 -4.902 -9.200 1.00 1.21 H new ATOM 1751 N ARG A 112 -5.566 -4.349 -12.147 1.00 0.68 N ATOM 1752 CA ARG A 112 -4.335 -4.411 -12.947 1.00 0.79 C ATOM 1753 C ARG A 112 -3.825 -3.026 -13.369 1.00 1.07 C ATOM 1754 O ARG A 112 -2.606 -2.855 -13.391 1.00 1.19 O ATOM 1755 CB ARG A 112 -4.534 -5.346 -14.155 1.00 0.95 C ATOM 1756 CG ARG A 112 -3.251 -5.691 -14.925 1.00 1.69 C ATOM 1757 CD ARG A 112 -2.240 -6.464 -14.064 1.00 3.27 C ATOM 1758 NE ARG A 112 -1.030 -6.804 -14.836 1.00 4.23 N ATOM 1759 CZ ARG A 112 -0.419 -7.970 -14.955 1.00 5.35 C ATOM 1760 NH1 ARG A 112 -0.865 -9.066 -14.367 1.00 6.00 N ATOM 1761 NH2 ARG A 112 0.677 -8.015 -15.681 1.00 6.41 N ATOM 0 H ARG A 112 -6.395 -4.688 -12.636 1.00 0.68 H new ATOM 0 HA ARG A 112 -3.552 -4.827 -12.312 1.00 0.79 H new ATOM 0 HB2 ARG A 112 -4.992 -6.272 -13.807 1.00 0.95 H new ATOM 0 HB3 ARG A 112 -5.239 -4.881 -14.844 1.00 0.95 H new ATOM 0 HG2 ARG A 112 -3.506 -6.285 -15.802 1.00 1.69 H new ATOM 0 HG3 ARG A 112 -2.789 -4.772 -15.286 1.00 1.69 H new ATOM 0 HD2 ARG A 112 -1.964 -5.865 -13.196 1.00 3.27 H new ATOM 0 HD3 ARG A 112 -2.702 -7.376 -13.687 1.00 3.27 H new ATOM 0 HE ARG A 112 -0.606 -6.032 -15.350 1.00 4.23 H new ATOM 0 HH11 ARG A 112 -1.710 -9.031 -13.797 1.00 6.00 H new ATOM 0 HH12 ARG A 112 -0.364 -9.947 -14.484 1.00 6.00 H new ATOM 0 HH21 ARG A 112 1.027 -7.168 -16.129 1.00 6.41 H new ATOM 0 HH22 ARG A 112 1.177 -8.897 -15.796 1.00 6.41 H new ATOM 1775 N GLU A 113 -4.692 -2.044 -13.628 1.00 0.69 N ATOM 1776 CA GLU A 113 -4.288 -0.679 -14.010 1.00 0.71 C ATOM 1777 C GLU A 113 -3.370 -0.029 -12.961 1.00 1.09 C ATOM 1778 O GLU A 113 -2.265 0.434 -13.268 1.00 1.14 O ATOM 1779 CB GLU A 113 -5.534 0.179 -14.243 1.00 0.80 C ATOM 1780 CG GLU A 113 -6.122 -0.115 -15.622 1.00 1.10 C ATOM 1781 CD GLU A 113 -5.370 0.613 -16.728 1.00 1.86 C ATOM 1782 OE1 GLU A 113 -4.395 0.023 -17.246 1.00 2.81 O ATOM 1783 OE2 GLU A 113 -5.774 1.761 -17.014 1.00 2.77 O ATOM 0 H GLU A 113 -5.703 -2.170 -13.579 1.00 0.69 H new ATOM 0 HA GLU A 113 -3.713 -0.746 -14.934 1.00 0.71 H new ATOM 0 HB2 GLU A 113 -6.276 -0.026 -13.471 1.00 0.80 H new ATOM 0 HB3 GLU A 113 -5.277 1.236 -14.166 1.00 0.80 H new ATOM 0 HG2 GLU A 113 -6.091 -1.189 -15.808 1.00 1.10 H new ATOM 0 HG3 GLU A 113 -7.171 0.182 -15.640 1.00 1.10 H new ATOM 1790 N ALA A 114 -3.786 -0.071 -11.690 1.00 0.72 N ATOM 1791 CA ALA A 114 -2.988 0.421 -10.566 1.00 0.78 C ATOM 1792 C ALA A 114 -1.643 -0.311 -10.454 1.00 1.00 C ATOM 1793 O ALA A 114 -0.608 0.314 -10.214 1.00 1.11 O ATOM 1794 CB ALA A 114 -3.825 0.258 -9.291 1.00 0.86 C ATOM 0 H ALA A 114 -4.692 -0.450 -11.413 1.00 0.72 H new ATOM 0 HA ALA A 114 -2.742 1.471 -10.722 1.00 0.78 H new ATOM 0 HB1 ALA A 114 -3.256 0.617 -8.434 1.00 0.86 H new ATOM 0 HB2 ALA A 114 -4.745 0.835 -9.383 1.00 0.86 H new ATOM 0 HB3 ALA A 114 -4.070 -0.795 -9.149 1.00 0.86 H new ATOM 1800 N ALA A 115 -1.632 -1.628 -10.661 1.00 0.72 N ATOM 1801 CA ALA A 115 -0.416 -2.429 -10.606 1.00 0.72 C ATOM 1802 C ALA A 115 0.560 -2.054 -11.732 1.00 0.93 C ATOM 1803 O ALA A 115 1.740 -1.815 -11.462 1.00 1.01 O ATOM 1804 CB ALA A 115 -0.815 -3.908 -10.644 1.00 0.76 C ATOM 0 H ALA A 115 -2.471 -2.168 -10.872 1.00 0.72 H new ATOM 0 HA ALA A 115 0.120 -2.229 -9.678 1.00 0.72 H new ATOM 0 HB1 ALA A 115 0.081 -4.528 -10.604 1.00 0.76 H new ATOM 0 HB2 ALA A 115 -1.452 -4.135 -9.789 1.00 0.76 H new ATOM 0 HB3 ALA A 115 -1.358 -4.115 -11.566 1.00 0.76 H new ATOM 1810 N GLN A 116 0.079 -1.949 -12.976 1.00 0.69 N ATOM 1811 CA GLN A 116 0.888 -1.514 -14.117 1.00 0.77 C ATOM 1812 C GLN A 116 1.456 -0.101 -13.903 1.00 1.21 C ATOM 1813 O GLN A 116 2.600 0.147 -14.282 1.00 1.33 O ATOM 1814 CB GLN A 116 0.051 -1.560 -15.409 1.00 0.87 C ATOM 1815 CG GLN A 116 -0.312 -2.981 -15.890 1.00 1.15 C ATOM 1816 CD GLN A 116 0.868 -3.872 -16.285 1.00 2.17 C ATOM 1817 OE1 GLN A 116 0.867 -5.079 -16.054 1.00 2.47 O ATOM 1818 NE2 GLN A 116 1.910 -3.345 -16.897 1.00 3.38 N ATOM 0 H GLN A 116 -0.888 -2.165 -13.219 1.00 0.69 H new ATOM 0 HA GLN A 116 1.730 -2.200 -14.209 1.00 0.77 H new ATOM 0 HB2 GLN A 116 -0.870 -0.998 -15.250 1.00 0.87 H new ATOM 0 HB3 GLN A 116 0.601 -1.052 -16.201 1.00 0.87 H new ATOM 0 HG2 GLN A 116 -0.871 -3.480 -15.099 1.00 1.15 H new ATOM 0 HG3 GLN A 116 -0.980 -2.895 -16.747 1.00 1.15 H new ATOM 0 HE21 GLN A 116 1.931 -2.345 -17.098 1.00 3.38 H new ATOM 0 HE22 GLN A 116 2.695 -3.937 -17.169 1.00 3.38 H new ATOM 1827 N THR A 117 0.688 0.790 -13.266 1.00 0.74 N ATOM 1828 CA THR A 117 1.074 2.188 -13.015 1.00 0.79 C ATOM 1829 C THR A 117 2.168 2.316 -11.958 1.00 1.05 C ATOM 1830 O THR A 117 3.121 3.070 -12.152 1.00 1.02 O ATOM 1831 CB THR A 117 -0.178 3.001 -12.659 1.00 0.85 C ATOM 1832 OG1 THR A 117 -1.051 2.928 -13.759 1.00 1.13 O ATOM 1833 CG2 THR A 117 0.139 4.479 -12.421 1.00 1.02 C ATOM 0 H THR A 117 -0.237 0.558 -12.903 1.00 0.74 H new ATOM 0 HA THR A 117 1.511 2.595 -13.927 1.00 0.79 H new ATOM 0 HB THR A 117 -0.606 2.592 -11.744 1.00 0.85 H new ATOM 0 HG1 THR A 117 -1.554 2.088 -13.722 1.00 1.13 H new ATOM 0 HG21 THR A 117 -0.778 5.012 -12.172 1.00 1.02 H new ATOM 0 HG22 THR A 117 0.847 4.571 -11.597 1.00 1.02 H new ATOM 0 HG23 THR A 117 0.575 4.908 -13.324 1.00 1.02 H new ATOM 1841 N PHE A 118 2.033 1.623 -10.824 1.00 0.77 N ATOM 1842 CA PHE A 118 3.031 1.597 -9.748 1.00 0.89 C ATOM 1843 C PHE A 118 4.274 0.741 -10.057 1.00 1.77 C ATOM 1844 O PHE A 118 5.351 1.051 -9.553 1.00 2.11 O ATOM 1845 CB PHE A 118 2.341 1.192 -8.434 1.00 0.90 C ATOM 1846 CG PHE A 118 1.661 2.364 -7.743 1.00 1.06 C ATOM 1847 CD1 PHE A 118 0.492 2.945 -8.270 1.00 1.98 C ATOM 1848 CD2 PHE A 118 2.241 2.917 -6.587 1.00 2.24 C ATOM 1849 CE1 PHE A 118 -0.089 4.066 -7.648 1.00 1.86 C ATOM 1850 CE2 PHE A 118 1.660 4.028 -5.955 1.00 2.41 C ATOM 1851 CZ PHE A 118 0.497 4.604 -6.488 1.00 1.30 C ATOM 0 H PHE A 118 1.211 1.053 -10.623 1.00 0.77 H new ATOM 0 HA PHE A 118 3.435 2.604 -9.648 1.00 0.89 H new ATOM 0 HB2 PHE A 118 1.602 0.418 -8.640 1.00 0.90 H new ATOM 0 HB3 PHE A 118 3.079 0.756 -7.760 1.00 0.90 H new ATOM 0 HD1 PHE A 118 0.038 2.528 -9.157 1.00 1.98 H new ATOM 0 HD2 PHE A 118 3.143 2.482 -6.181 1.00 2.24 H new ATOM 0 HE1 PHE A 118 -0.982 4.512 -8.060 1.00 1.86 H new ATOM 0 HE2 PHE A 118 2.107 4.438 -5.061 1.00 2.41 H new ATOM 0 HZ PHE A 118 0.051 5.462 -6.007 1.00 1.30 H new ATOM 1861 N GLY A 119 4.143 -0.301 -10.895 1.00 0.95 N ATOM 1862 CA GLY A 119 5.209 -1.269 -11.215 1.00 1.06 C ATOM 1863 C GLY A 119 5.078 -2.614 -10.495 1.00 1.11 C ATOM 1864 O GLY A 119 6.084 -3.266 -10.245 1.00 1.32 O ATOM 0 H GLY A 119 3.269 -0.500 -11.382 1.00 0.95 H new ATOM 0 HA2 GLY A 119 5.212 -1.445 -12.291 1.00 1.06 H new ATOM 0 HA3 GLY A 119 6.173 -0.827 -10.961 1.00 1.06 H new ATOM 1868 N VAL A 120 3.854 -3.023 -10.170 1.00 0.77 N ATOM 1869 CA VAL A 120 3.509 -4.311 -9.547 1.00 0.68 C ATOM 1870 C VAL A 120 3.055 -5.323 -10.596 1.00 0.84 C ATOM 1871 O VAL A 120 2.421 -4.985 -11.598 1.00 1.06 O ATOM 1872 CB VAL A 120 2.446 -4.129 -8.437 1.00 0.75 C ATOM 1873 CG1 VAL A 120 1.798 -5.439 -7.942 1.00 0.82 C ATOM 1874 CG2 VAL A 120 3.118 -3.421 -7.258 1.00 1.33 C ATOM 0 H VAL A 120 3.033 -2.442 -10.339 1.00 0.77 H new ATOM 0 HA VAL A 120 4.408 -4.707 -9.075 1.00 0.68 H new ATOM 0 HB VAL A 120 1.631 -3.547 -8.868 1.00 0.75 H new ATOM 0 HG11 VAL A 120 1.067 -5.213 -7.166 1.00 0.82 H new ATOM 0 HG12 VAL A 120 1.301 -5.936 -8.775 1.00 0.82 H new ATOM 0 HG13 VAL A 120 2.568 -6.095 -7.535 1.00 0.82 H new ATOM 0 HG21 VAL A 120 2.392 -3.278 -6.458 1.00 1.33 H new ATOM 0 HG22 VAL A 120 3.946 -4.029 -6.893 1.00 1.33 H new ATOM 0 HG23 VAL A 120 3.495 -2.451 -7.583 1.00 1.33 H new ATOM 1884 N PHE A 121 3.377 -6.588 -10.319 1.00 0.74 N ATOM 1885 CA PHE A 121 3.097 -7.743 -11.156 1.00 0.77 C ATOM 1886 C PHE A 121 2.637 -8.937 -10.301 1.00 1.57 C ATOM 1887 O PHE A 121 3.204 -9.226 -9.244 1.00 1.58 O ATOM 1888 CB PHE A 121 4.356 -8.056 -11.987 1.00 0.86 C ATOM 1889 CG PHE A 121 5.644 -8.174 -11.184 1.00 0.98 C ATOM 1890 CD1 PHE A 121 6.405 -7.022 -10.884 1.00 2.08 C ATOM 1891 CD2 PHE A 121 6.073 -9.433 -10.716 1.00 1.96 C ATOM 1892 CE1 PHE A 121 7.579 -7.137 -10.121 1.00 2.12 C ATOM 1893 CE2 PHE A 121 7.249 -9.543 -9.955 1.00 1.82 C ATOM 1894 CZ PHE A 121 8.004 -8.394 -9.660 1.00 1.18 C ATOM 0 H PHE A 121 3.865 -6.841 -9.460 1.00 0.74 H new ATOM 0 HA PHE A 121 2.276 -7.530 -11.840 1.00 0.77 H new ATOM 0 HB2 PHE A 121 4.195 -8.990 -12.526 1.00 0.86 H new ATOM 0 HB3 PHE A 121 4.483 -7.274 -12.736 1.00 0.86 H new ATOM 0 HD1 PHE A 121 6.085 -6.054 -11.241 1.00 2.08 H new ATOM 0 HD2 PHE A 121 5.495 -10.317 -10.943 1.00 1.96 H new ATOM 0 HE1 PHE A 121 8.157 -6.255 -9.888 1.00 2.12 H new ATOM 0 HE2 PHE A 121 7.573 -10.509 -9.597 1.00 1.82 H new ATOM 0 HZ PHE A 121 8.911 -8.478 -9.079 1.00 1.18 H new ATOM 1904 N TYR A 122 1.583 -9.612 -10.775 1.00 0.76 N ATOM 1905 CA TYR A 122 1.106 -10.896 -10.244 1.00 0.71 C ATOM 1906 C TYR A 122 0.574 -11.833 -11.345 1.00 1.07 C ATOM 1907 O TYR A 122 0.048 -11.355 -12.357 1.00 1.23 O ATOM 1908 CB TYR A 122 0.071 -10.662 -9.135 1.00 0.88 C ATOM 1909 CG TYR A 122 -1.194 -9.929 -9.549 1.00 1.08 C ATOM 1910 CD1 TYR A 122 -2.197 -10.600 -10.280 1.00 2.01 C ATOM 1911 CD2 TYR A 122 -1.382 -8.585 -9.170 1.00 2.33 C ATOM 1912 CE1 TYR A 122 -3.381 -9.929 -10.635 1.00 2.20 C ATOM 1913 CE2 TYR A 122 -2.579 -7.919 -9.495 1.00 2.61 C ATOM 1914 CZ TYR A 122 -3.584 -8.596 -10.221 1.00 1.84 C ATOM 1915 OH TYR A 122 -4.756 -7.976 -10.520 1.00 2.32 O ATOM 0 H TYR A 122 1.024 -9.273 -11.558 1.00 0.76 H new ATOM 0 HA TYR A 122 1.962 -11.411 -9.808 1.00 0.71 H new ATOM 0 HB2 TYR A 122 -0.212 -11.629 -8.720 1.00 0.88 H new ATOM 0 HB3 TYR A 122 0.548 -10.098 -8.333 1.00 0.88 H new ATOM 0 HD1 TYR A 122 -2.055 -11.631 -10.568 1.00 2.01 H new ATOM 0 HD2 TYR A 122 -0.606 -8.064 -8.629 1.00 2.33 H new ATOM 0 HE1 TYR A 122 -4.133 -10.433 -11.223 1.00 2.20 H new ATOM 0 HE2 TYR A 122 -2.728 -6.894 -9.190 1.00 2.61 H new ATOM 0 HH TYR A 122 -5.475 -8.640 -10.564 1.00 2.32 H new ATOM 1925 N GLN A 123 0.702 -13.155 -11.167 1.00 0.81 N ATOM 1926 CA GLN A 123 0.092 -14.192 -12.021 1.00 1.07 C ATOM 1927 C GLN A 123 -0.333 -15.394 -11.161 1.00 1.12 C ATOM 1928 O GLN A 123 0.163 -15.528 -10.048 1.00 1.33 O ATOM 1929 CB GLN A 123 1.068 -14.656 -13.124 1.00 1.55 C ATOM 1930 CG GLN A 123 1.498 -13.524 -14.078 1.00 2.52 C ATOM 1931 CD GLN A 123 2.151 -14.001 -15.374 1.00 3.13 C ATOM 1932 OE1 GLN A 123 1.855 -13.499 -16.445 1.00 4.01 O ATOM 1933 NE2 GLN A 123 3.050 -14.962 -15.341 1.00 3.47 N ATOM 0 H GLN A 123 1.250 -13.548 -10.401 1.00 0.81 H new ATOM 0 HA GLN A 123 -0.784 -13.760 -12.504 1.00 1.07 H new ATOM 0 HB2 GLN A 123 1.955 -15.084 -12.657 1.00 1.55 H new ATOM 0 HB3 GLN A 123 0.598 -15.451 -13.704 1.00 1.55 H new ATOM 0 HG2 GLN A 123 0.623 -12.924 -14.327 1.00 2.52 H new ATOM 0 HG3 GLN A 123 2.195 -12.870 -13.554 1.00 2.52 H new ATOM 0 HE21 GLN A 123 3.306 -15.390 -14.451 1.00 3.47 H new ATOM 0 HE22 GLN A 123 3.490 -15.278 -16.205 1.00 3.47 H new ATOM 1942 N LYS A 124 -1.178 -16.295 -11.683 1.00 0.96 N ATOM 1943 CA LYS A 124 -1.606 -17.504 -10.965 1.00 0.94 C ATOM 1944 C LYS A 124 -0.736 -18.704 -11.380 1.00 1.24 C ATOM 1945 O LYS A 124 -0.833 -19.198 -12.505 1.00 1.61 O ATOM 1946 CB LYS A 124 -3.102 -17.794 -11.213 1.00 1.20 C ATOM 1947 CG LYS A 124 -4.028 -16.593 -10.941 1.00 1.68 C ATOM 1948 CD LYS A 124 -5.368 -17.020 -10.324 1.00 1.91 C ATOM 1949 CE LYS A 124 -6.182 -15.774 -9.948 1.00 2.75 C ATOM 1950 NZ LYS A 124 -7.177 -16.054 -8.895 1.00 3.33 N ATOM 0 H LYS A 124 -1.584 -16.206 -12.615 1.00 0.96 H new ATOM 0 HA LYS A 124 -1.475 -17.335 -9.896 1.00 0.94 H new ATOM 0 HB2 LYS A 124 -3.233 -18.113 -12.247 1.00 1.20 H new ATOM 0 HB3 LYS A 124 -3.410 -18.627 -10.581 1.00 1.20 H new ATOM 0 HG2 LYS A 124 -3.527 -15.895 -10.270 1.00 1.68 H new ATOM 0 HG3 LYS A 124 -4.213 -16.061 -11.874 1.00 1.68 H new ATOM 0 HD2 LYS A 124 -5.927 -17.632 -11.032 1.00 1.91 H new ATOM 0 HD3 LYS A 124 -5.194 -17.633 -9.440 1.00 1.91 H new ATOM 0 HE2 LYS A 124 -5.506 -14.990 -9.607 1.00 2.75 H new ATOM 0 HE3 LYS A 124 -6.691 -15.394 -10.834 1.00 2.75 H new ATOM 0 HZ1 LYS A 124 -7.691 -15.180 -8.662 1.00 3.33 H new ATOM 0 HZ2 LYS A 124 -7.849 -16.771 -9.235 1.00 3.33 H new ATOM 0 HZ3 LYS A 124 -6.693 -16.408 -8.045 1.00 3.33 H new ATOM 2120 N VAL A 135 -1.384 -17.273 -6.238 1.00 1.73 N ATOM 2121 CA VAL A 135 -0.972 -16.153 -7.090 1.00 1.46 C ATOM 2122 C VAL A 135 0.235 -15.492 -6.435 1.00 1.61 C ATOM 2123 O VAL A 135 0.179 -15.100 -5.265 1.00 2.04 O ATOM 2124 CB VAL A 135 -2.110 -15.142 -7.436 1.00 1.87 C ATOM 2125 CG1 VAL A 135 -3.492 -15.815 -7.486 1.00 2.61 C ATOM 2126 CG2 VAL A 135 -2.225 -13.911 -6.513 1.00 2.41 C ATOM 0 HA VAL A 135 -0.701 -16.547 -8.070 1.00 1.46 H new ATOM 0 HB VAL A 135 -1.805 -14.783 -8.419 1.00 1.87 H new ATOM 0 HG11 VAL A 135 -4.250 -15.071 -7.730 1.00 2.61 H new ATOM 0 HG12 VAL A 135 -3.490 -16.595 -8.248 1.00 2.61 H new ATOM 0 HG13 VAL A 135 -3.717 -16.257 -6.515 1.00 2.61 H new ATOM 0 HG21 VAL A 135 -3.048 -13.280 -6.849 1.00 2.41 H new ATOM 0 HG22 VAL A 135 -2.413 -14.239 -5.491 1.00 2.41 H new ATOM 0 HG23 VAL A 135 -1.295 -13.343 -6.547 1.00 2.41 H new ATOM 2136 N ASP A 136 1.321 -15.386 -7.192 1.00 1.01 N ATOM 2137 CA ASP A 136 2.587 -14.864 -6.688 1.00 1.09 C ATOM 2138 C ASP A 136 2.687 -13.385 -7.063 1.00 1.23 C ATOM 2139 O ASP A 136 2.454 -13.002 -8.210 1.00 1.43 O ATOM 2140 CB ASP A 136 3.767 -15.682 -7.234 1.00 1.57 C ATOM 2141 CG ASP A 136 3.709 -17.151 -6.793 1.00 2.98 C ATOM 2142 OD1 ASP A 136 3.492 -17.400 -5.586 1.00 4.12 O ATOM 2143 OD2 ASP A 136 3.865 -18.012 -7.691 1.00 3.73 O ATOM 0 H ASP A 136 1.349 -15.660 -8.174 1.00 1.01 H new ATOM 0 HA ASP A 136 2.626 -14.952 -5.602 1.00 1.09 H new ATOM 0 HB2 ASP A 136 3.769 -15.631 -8.323 1.00 1.57 H new ATOM 0 HB3 ASP A 136 4.703 -15.239 -6.893 1.00 1.57 H new ATOM 2148 N HIS A 137 2.956 -12.531 -6.073 1.00 0.94 N ATOM 2149 CA HIS A 137 2.846 -11.084 -6.199 1.00 0.91 C ATOM 2150 C HIS A 137 3.976 -10.373 -5.440 1.00 1.18 C ATOM 2151 O HIS A 137 4.346 -10.779 -4.341 1.00 1.30 O ATOM 2152 CB HIS A 137 1.462 -10.664 -5.686 1.00 1.00 C ATOM 2153 CG HIS A 137 1.155 -11.095 -4.275 1.00 1.26 C ATOM 2154 ND1 HIS A 137 0.594 -12.291 -3.892 1.00 2.44 N ATOM 2155 CD2 HIS A 137 1.270 -10.323 -3.150 1.00 2.43 C ATOM 2156 CE1 HIS A 137 0.355 -12.226 -2.569 1.00 2.59 C ATOM 2157 NE2 HIS A 137 0.731 -11.033 -2.075 1.00 2.36 N ATOM 0 H HIS A 137 3.261 -12.835 -5.148 1.00 0.94 H new ATOM 0 HA HIS A 137 2.949 -10.791 -7.244 1.00 0.91 H new ATOM 0 HB2 HIS A 137 1.382 -9.579 -5.745 1.00 1.00 H new ATOM 0 HB3 HIS A 137 0.703 -11.076 -6.351 1.00 1.00 H new ATOM 0 HD1 HIS A 137 0.395 -13.085 -4.501 1.00 2.44 H new ATOM 0 HD2 HIS A 137 1.703 -9.335 -3.102 1.00 2.43 H new ATOM 0 HE1 HIS A 137 -0.079 -13.023 -1.984 1.00 2.59 H new ATOM 2166 N THR A 138 4.510 -9.282 -6.012 1.00 0.99 N ATOM 2167 CA THR A 138 5.758 -8.635 -5.556 1.00 1.09 C ATOM 2168 C THR A 138 5.735 -8.019 -4.149 1.00 1.55 C ATOM 2169 O THR A 138 6.760 -7.500 -3.725 1.00 3.05 O ATOM 2170 CB THR A 138 6.237 -7.647 -6.629 1.00 1.25 C ATOM 2171 OG1 THR A 138 7.611 -7.434 -6.449 1.00 2.87 O ATOM 2172 CG2 THR A 138 5.515 -6.306 -6.604 1.00 1.27 C ATOM 0 H THR A 138 4.085 -8.816 -6.814 1.00 0.99 H new ATOM 0 HA THR A 138 6.484 -9.439 -5.435 1.00 1.09 H new ATOM 0 HB THR A 138 6.014 -8.093 -7.598 1.00 1.25 H new ATOM 0 HG1 THR A 138 7.818 -7.428 -5.491 1.00 2.87 H new ATOM 0 HG21 THR A 138 5.911 -5.665 -7.392 1.00 1.27 H new ATOM 0 HG22 THR A 138 4.449 -6.464 -6.766 1.00 1.27 H new ATOM 0 HG23 THR A 138 5.668 -5.828 -5.636 1.00 1.27 H new ATOM 2180 N ALA A 139 4.601 -8.038 -3.441 1.00 0.74 N ATOM 2181 CA ALA A 139 4.478 -7.712 -2.006 1.00 0.73 C ATOM 2182 C ALA A 139 5.075 -6.343 -1.584 1.00 0.93 C ATOM 2183 O ALA A 139 5.454 -6.139 -0.432 1.00 1.59 O ATOM 2184 CB ALA A 139 5.055 -8.895 -1.206 1.00 0.86 C ATOM 0 H ALA A 139 3.707 -8.290 -3.862 1.00 0.74 H new ATOM 0 HA ALA A 139 3.420 -7.578 -1.779 1.00 0.73 H new ATOM 0 HB1 ALA A 139 4.979 -8.685 -0.139 1.00 0.86 H new ATOM 0 HB2 ALA A 139 4.493 -9.800 -1.438 1.00 0.86 H new ATOM 0 HB3 ALA A 139 6.102 -9.039 -1.473 1.00 0.86 H new ATOM 2190 N THR A 140 5.198 -5.400 -2.522 1.00 0.59 N ATOM 2191 CA THR A 140 6.035 -4.196 -2.383 1.00 0.59 C ATOM 2192 C THR A 140 5.187 -3.037 -1.873 1.00 0.74 C ATOM 2193 O THR A 140 3.967 -3.005 -2.060 1.00 1.02 O ATOM 2194 CB THR A 140 6.714 -3.882 -3.723 1.00 0.66 C ATOM 2195 OG1 THR A 140 7.599 -4.937 -4.011 1.00 1.03 O ATOM 2196 CG2 THR A 140 7.582 -2.623 -3.772 1.00 0.71 C ATOM 0 H THR A 140 4.711 -5.449 -3.417 1.00 0.59 H new ATOM 0 HA THR A 140 6.824 -4.367 -1.651 1.00 0.59 H new ATOM 0 HB THR A 140 5.888 -3.738 -4.420 1.00 0.66 H new ATOM 0 HG1 THR A 140 7.114 -5.788 -3.982 1.00 1.03 H new ATOM 0 HG21 THR A 140 8.005 -2.511 -4.770 1.00 0.71 H new ATOM 0 HG22 THR A 140 6.972 -1.751 -3.537 1.00 0.71 H new ATOM 0 HG23 THR A 140 8.388 -2.708 -3.044 1.00 0.71 H new ATOM 2204 N THR A 141 5.845 -2.102 -1.183 1.00 0.57 N ATOM 2205 CA THR A 141 5.252 -0.920 -0.560 1.00 0.60 C ATOM 2206 C THR A 141 5.761 0.326 -1.285 1.00 0.94 C ATOM 2207 O THR A 141 6.949 0.454 -1.587 1.00 1.01 O ATOM 2208 CB THR A 141 5.608 -0.882 0.931 1.00 0.68 C ATOM 2209 OG1 THR A 141 5.322 -2.126 1.534 1.00 1.04 O ATOM 2210 CG2 THR A 141 4.833 0.187 1.694 1.00 1.13 C ATOM 0 H THR A 141 6.853 -2.153 -1.038 1.00 0.57 H new ATOM 0 HA THR A 141 4.166 -0.955 -0.641 1.00 0.60 H new ATOM 0 HB THR A 141 6.672 -0.651 0.982 1.00 0.68 H new ATOM 0 HG1 THR A 141 5.555 -2.090 2.485 1.00 1.04 H new ATOM 0 HG21 THR A 141 5.125 0.168 2.744 1.00 1.13 H new ATOM 0 HG22 THR A 141 5.055 1.168 1.273 1.00 1.13 H new ATOM 0 HG23 THR A 141 3.764 -0.010 1.611 1.00 1.13 H new ATOM 2218 N PHE A 142 4.851 1.259 -1.554 1.00 0.69 N ATOM 2219 CA PHE A 142 5.105 2.443 -2.373 1.00 0.73 C ATOM 2220 C PHE A 142 4.612 3.702 -1.662 1.00 1.89 C ATOM 2221 O PHE A 142 3.433 3.787 -1.314 1.00 2.15 O ATOM 2222 CB PHE A 142 4.352 2.293 -3.703 1.00 0.76 C ATOM 2223 CG PHE A 142 4.730 1.084 -4.535 1.00 0.88 C ATOM 2224 CD1 PHE A 142 4.138 -0.165 -4.270 1.00 1.66 C ATOM 2225 CD2 PHE A 142 5.641 1.214 -5.597 1.00 2.12 C ATOM 2226 CE1 PHE A 142 4.480 -1.283 -5.048 1.00 1.61 C ATOM 2227 CE2 PHE A 142 5.979 0.098 -6.376 1.00 1.98 C ATOM 2228 CZ PHE A 142 5.408 -1.155 -6.097 1.00 0.94 C ATOM 0 H PHE A 142 3.895 1.212 -1.201 1.00 0.69 H new ATOM 0 HA PHE A 142 6.177 2.534 -2.546 1.00 0.73 H new ATOM 0 HB2 PHE A 142 3.284 2.247 -3.492 1.00 0.76 H new ATOM 0 HB3 PHE A 142 4.521 3.190 -4.299 1.00 0.76 H new ATOM 0 HD1 PHE A 142 3.421 -0.264 -3.469 1.00 1.66 H new ATOM 0 HD2 PHE A 142 6.082 2.176 -5.814 1.00 2.12 H new ATOM 0 HE1 PHE A 142 4.030 -2.242 -4.840 1.00 1.61 H new ATOM 0 HE2 PHE A 142 6.679 0.202 -7.192 1.00 1.98 H new ATOM 0 HZ PHE A 142 5.681 -2.018 -6.687 1.00 0.94 H new ATOM 2238 N VAL A 143 5.480 4.705 -1.502 1.00 0.76 N ATOM 2239 CA VAL A 143 5.064 6.022 -0.981 1.00 0.63 C ATOM 2240 C VAL A 143 4.878 7.007 -2.129 1.00 0.77 C ATOM 2241 O VAL A 143 5.805 7.256 -2.907 1.00 0.98 O ATOM 2242 CB VAL A 143 6.034 6.609 0.070 1.00 0.79 C ATOM 2243 CG1 VAL A 143 5.413 7.869 0.698 1.00 0.83 C ATOM 2244 CG2 VAL A 143 6.273 5.602 1.200 1.00 1.14 C ATOM 0 H VAL A 143 6.473 4.636 -1.723 1.00 0.76 H new ATOM 0 HA VAL A 143 4.116 5.861 -0.468 1.00 0.63 H new ATOM 0 HB VAL A 143 6.974 6.843 -0.430 1.00 0.79 H new ATOM 0 HG11 VAL A 143 6.098 8.282 1.439 1.00 0.83 H new ATOM 0 HG12 VAL A 143 5.230 8.611 -0.080 1.00 0.83 H new ATOM 0 HG13 VAL A 143 4.471 7.609 1.180 1.00 0.83 H new ATOM 0 HG21 VAL A 143 6.958 6.031 1.931 1.00 1.14 H new ATOM 0 HG22 VAL A 143 5.325 5.367 1.685 1.00 1.14 H new ATOM 0 HG23 VAL A 143 6.706 4.690 0.789 1.00 1.14 H new ATOM 2254 N VAL A 144 3.689 7.611 -2.185 1.00 0.49 N ATOM 2255 CA VAL A 144 3.428 8.811 -2.991 1.00 0.65 C ATOM 2256 C VAL A 144 3.167 10.032 -2.108 1.00 1.08 C ATOM 2257 O VAL A 144 2.606 9.931 -1.017 1.00 1.07 O ATOM 2258 CB VAL A 144 2.289 8.671 -4.037 1.00 0.88 C ATOM 2259 CG1 VAL A 144 2.518 7.506 -5.001 1.00 1.97 C ATOM 2260 CG2 VAL A 144 0.888 8.546 -3.444 1.00 2.16 C ATOM 0 H VAL A 144 2.873 7.281 -1.670 1.00 0.49 H new ATOM 0 HA VAL A 144 4.346 8.948 -3.563 1.00 0.65 H new ATOM 0 HB VAL A 144 2.332 9.616 -4.579 1.00 0.88 H new ATOM 0 HG11 VAL A 144 1.693 7.453 -5.711 1.00 1.97 H new ATOM 0 HG12 VAL A 144 3.452 7.659 -5.541 1.00 1.97 H new ATOM 0 HG13 VAL A 144 2.573 6.574 -4.439 1.00 1.97 H new ATOM 0 HG21 VAL A 144 0.159 8.453 -4.249 1.00 2.16 H new ATOM 0 HG22 VAL A 144 0.840 7.663 -2.807 1.00 2.16 H new ATOM 0 HG23 VAL A 144 0.663 9.433 -2.852 1.00 2.16 H new ATOM 2270 N LYS A 145 3.540 11.195 -2.640 1.00 0.72 N ATOM 2271 CA LYS A 145 3.225 12.529 -2.132 1.00 0.83 C ATOM 2272 C LYS A 145 2.930 13.427 -3.339 1.00 1.02 C ATOM 2273 O LYS A 145 3.711 13.426 -4.290 1.00 1.32 O ATOM 2274 CB LYS A 145 4.439 13.040 -1.333 1.00 0.97 C ATOM 2275 CG LYS A 145 4.357 14.493 -0.830 1.00 1.26 C ATOM 2276 CD LYS A 145 3.367 14.685 0.322 1.00 1.64 C ATOM 2277 CE LYS A 145 3.551 16.089 0.923 1.00 1.70 C ATOM 2278 NZ LYS A 145 3.053 16.177 2.316 1.00 2.87 N ATOM 0 H LYS A 145 4.104 11.233 -3.489 1.00 0.72 H new ATOM 0 HA LYS A 145 2.357 12.524 -1.473 1.00 0.83 H new ATOM 0 HB2 LYS A 145 4.583 12.387 -0.472 1.00 0.97 H new ATOM 0 HB3 LYS A 145 5.327 12.943 -1.958 1.00 0.97 H new ATOM 0 HG2 LYS A 145 5.347 14.813 -0.505 1.00 1.26 H new ATOM 0 HG3 LYS A 145 4.069 15.140 -1.658 1.00 1.26 H new ATOM 0 HD2 LYS A 145 2.345 14.562 -0.037 1.00 1.64 H new ATOM 0 HD3 LYS A 145 3.530 13.926 1.087 1.00 1.64 H new ATOM 0 HE2 LYS A 145 4.608 16.355 0.900 1.00 1.70 H new ATOM 0 HE3 LYS A 145 3.025 16.817 0.305 1.00 1.70 H new ATOM 0 HZ1 LYS A 145 3.433 17.034 2.767 1.00 2.87 H new ATOM 0 HZ2 LYS A 145 2.014 16.220 2.311 1.00 2.87 H new ATOM 0 HZ3 LYS A 145 3.362 15.339 2.849 1.00 2.87 H new ATOM 2292 N GLU A 146 1.826 14.176 -3.338 1.00 0.87 N ATOM 2293 CA GLU A 146 1.515 15.178 -4.372 1.00 0.99 C ATOM 2294 C GLU A 146 1.211 14.524 -5.747 1.00 1.30 C ATOM 2295 O GLU A 146 1.571 15.041 -6.807 1.00 1.77 O ATOM 2296 CB GLU A 146 2.642 16.226 -4.411 1.00 1.25 C ATOM 2297 CG GLU A 146 2.129 17.666 -4.457 1.00 1.71 C ATOM 2298 CD GLU A 146 3.274 18.613 -4.795 1.00 2.16 C ATOM 2299 OE1 GLU A 146 4.391 18.427 -4.261 1.00 2.36 O ATOM 2300 OE2 GLU A 146 3.116 19.404 -5.746 1.00 2.92 O ATOM 0 H GLU A 146 1.112 14.107 -2.613 1.00 0.87 H new ATOM 0 HA GLU A 146 0.592 15.697 -4.114 1.00 0.99 H new ATOM 0 HB2 GLU A 146 3.275 16.101 -3.532 1.00 1.25 H new ATOM 0 HB3 GLU A 146 3.269 16.043 -5.284 1.00 1.25 H new ATOM 0 HG2 GLU A 146 1.339 17.756 -5.202 1.00 1.71 H new ATOM 0 HG3 GLU A 146 1.693 17.937 -3.495 1.00 1.71 H new ATOM 2307 N GLY A 147 0.601 13.331 -5.726 1.00 0.95 N ATOM 2308 CA GLY A 147 0.248 12.555 -6.929 1.00 1.00 C ATOM 2309 C GLY A 147 1.423 11.843 -7.612 1.00 0.97 C ATOM 2310 O GLY A 147 1.291 11.415 -8.759 1.00 1.07 O ATOM 0 H GLY A 147 0.333 12.867 -4.858 1.00 0.95 H new ATOM 0 HA2 GLY A 147 -0.499 11.810 -6.655 1.00 1.00 H new ATOM 0 HA3 GLY A 147 -0.220 13.225 -7.650 1.00 1.00 H new ATOM 2314 N ARG A 148 2.584 11.717 -6.955 1.00 0.82 N ATOM 2315 CA ARG A 148 3.811 11.166 -7.551 1.00 0.80 C ATOM 2316 C ARG A 148 4.619 10.304 -6.577 1.00 1.16 C ATOM 2317 O ARG A 148 4.577 10.497 -5.366 1.00 1.35 O ATOM 2318 CB ARG A 148 4.655 12.297 -8.174 1.00 0.86 C ATOM 2319 CG ARG A 148 4.979 13.408 -7.190 1.00 1.37 C ATOM 2320 CD ARG A 148 5.832 14.506 -7.829 1.00 1.42 C ATOM 2321 NE ARG A 148 5.036 15.710 -8.128 1.00 1.63 N ATOM 2322 CZ ARG A 148 4.904 16.778 -7.350 1.00 2.36 C ATOM 2323 NH1 ARG A 148 5.575 16.923 -6.225 1.00 3.41 N ATOM 2324 NH2 ARG A 148 4.062 17.726 -7.695 1.00 2.74 N ATOM 0 H ARG A 148 2.700 11.998 -5.981 1.00 0.82 H new ATOM 0 HA ARG A 148 3.510 10.485 -8.347 1.00 0.80 H new ATOM 0 HB2 ARG A 148 5.585 11.879 -8.560 1.00 0.86 H new ATOM 0 HB3 ARG A 148 4.118 12.718 -9.024 1.00 0.86 H new ATOM 0 HG2 ARG A 148 4.052 13.841 -6.814 1.00 1.37 H new ATOM 0 HG3 ARG A 148 5.507 12.991 -6.333 1.00 1.37 H new ATOM 0 HD2 ARG A 148 6.650 14.768 -7.158 1.00 1.42 H new ATOM 0 HD3 ARG A 148 6.281 14.129 -8.748 1.00 1.42 H new ATOM 0 HE ARG A 148 4.539 15.724 -9.018 1.00 1.63 H new ATOM 0 HH11 ARG A 148 6.226 16.198 -5.922 1.00 3.41 H new ATOM 0 HH12 ARG A 148 5.443 17.760 -5.657 1.00 3.41 H new ATOM 0 HH21 ARG A 148 3.518 17.637 -8.553 1.00 2.74 H new ATOM 0 HH22 ARG A 148 3.953 18.551 -7.105 1.00 2.74 H new ATOM 2338 N LEU A 149 5.361 9.337 -7.119 1.00 0.87 N ATOM 2339 CA LEU A 149 6.125 8.303 -6.412 1.00 0.83 C ATOM 2340 C LEU A 149 7.404 8.924 -5.833 1.00 1.19 C ATOM 2341 O LEU A 149 8.243 9.405 -6.587 1.00 1.51 O ATOM 2342 CB LEU A 149 6.422 7.154 -7.413 1.00 0.97 C ATOM 2343 CG LEU A 149 6.357 5.705 -6.880 1.00 0.95 C ATOM 2344 CD1 LEU A 149 7.232 5.457 -5.643 1.00 2.31 C ATOM 2345 CD2 LEU A 149 4.919 5.282 -6.565 1.00 1.96 C ATOM 0 H LEU A 149 5.451 9.248 -8.131 1.00 0.87 H new ATOM 0 HA LEU A 149 5.562 7.891 -5.575 1.00 0.83 H new ATOM 0 HB2 LEU A 149 5.718 7.239 -8.241 1.00 0.97 H new ATOM 0 HB3 LEU A 149 7.418 7.316 -7.824 1.00 0.97 H new ATOM 0 HG LEU A 149 6.755 5.096 -7.692 1.00 0.95 H new ATOM 0 HD11 LEU A 149 7.132 4.418 -5.329 1.00 2.31 H new ATOM 0 HD12 LEU A 149 8.274 5.664 -5.887 1.00 2.31 H new ATOM 0 HD13 LEU A 149 6.912 6.113 -4.833 1.00 2.31 H new ATOM 0 HD21 LEU A 149 4.914 4.258 -6.193 1.00 1.96 H new ATOM 0 HD22 LEU A 149 4.502 5.945 -5.807 1.00 1.96 H new ATOM 0 HD23 LEU A 149 4.315 5.342 -7.471 1.00 1.96 H new ATOM 2357 N VAL A 150 7.561 8.922 -4.506 1.00 0.86 N ATOM 2358 CA VAL A 150 8.689 9.592 -3.818 1.00 0.98 C ATOM 2359 C VAL A 150 9.626 8.638 -3.070 1.00 1.29 C ATOM 2360 O VAL A 150 10.749 9.027 -2.736 1.00 1.54 O ATOM 2361 CB VAL A 150 8.203 10.704 -2.857 1.00 1.00 C ATOM 2362 CG1 VAL A 150 7.657 11.899 -3.646 1.00 1.49 C ATOM 2363 CG2 VAL A 150 7.141 10.227 -1.853 1.00 1.40 C ATOM 0 H VAL A 150 6.913 8.457 -3.870 1.00 0.86 H new ATOM 0 HA VAL A 150 9.270 10.038 -4.625 1.00 0.98 H new ATOM 0 HB VAL A 150 9.079 11.001 -2.280 1.00 1.00 H new ATOM 0 HG11 VAL A 150 7.320 12.670 -2.953 1.00 1.49 H new ATOM 0 HG12 VAL A 150 8.443 12.303 -4.284 1.00 1.49 H new ATOM 0 HG13 VAL A 150 6.819 11.575 -4.263 1.00 1.49 H new ATOM 0 HG21 VAL A 150 6.847 11.058 -1.212 1.00 1.40 H new ATOM 0 HG22 VAL A 150 6.269 9.859 -2.393 1.00 1.40 H new ATOM 0 HG23 VAL A 150 7.553 9.425 -1.241 1.00 1.40 H new ATOM 2373 N LEU A 151 9.193 7.393 -2.828 1.00 0.93 N ATOM 2374 CA LEU A 151 9.906 6.423 -1.994 1.00 0.99 C ATOM 2375 C LEU A 151 9.401 4.986 -2.200 1.00 1.20 C ATOM 2376 O LEU A 151 8.191 4.743 -2.250 1.00 1.34 O ATOM 2377 CB LEU A 151 9.810 6.868 -0.512 1.00 1.00 C ATOM 2378 CG LEU A 151 11.194 7.118 0.108 1.00 1.27 C ATOM 2379 CD1 LEU A 151 11.102 8.007 1.338 1.00 1.53 C ATOM 2380 CD2 LEU A 151 11.879 5.804 0.476 1.00 1.16 C ATOM 0 H LEU A 151 8.322 7.028 -3.214 1.00 0.93 H new ATOM 0 HA LEU A 151 10.953 6.406 -2.295 1.00 0.99 H new ATOM 0 HB2 LEU A 151 9.214 7.778 -0.445 1.00 1.00 H new ATOM 0 HB3 LEU A 151 9.289 6.102 0.063 1.00 1.00 H new ATOM 0 HG LEU A 151 11.792 7.630 -0.646 1.00 1.27 H new ATOM 0 HD11 LEU A 151 12.099 8.162 1.750 1.00 1.53 H new ATOM 0 HD12 LEU A 151 10.670 8.969 1.060 1.00 1.53 H new ATOM 0 HD13 LEU A 151 10.471 7.528 2.087 1.00 1.53 H new ATOM 0 HD21 LEU A 151 12.856 6.013 0.912 1.00 1.16 H new ATOM 0 HD22 LEU A 151 11.267 5.264 1.199 1.00 1.16 H new ATOM 0 HD23 LEU A 151 12.004 5.196 -0.420 1.00 1.16 H new ATOM 2392 N LEU A 152 10.339 4.040 -2.292 1.00 0.92 N ATOM 2393 CA LEU A 152 10.088 2.600 -2.489 1.00 0.83 C ATOM 2394 C LEU A 152 10.556 1.779 -1.283 1.00 1.22 C ATOM 2395 O LEU A 152 11.552 2.122 -0.649 1.00 1.34 O ATOM 2396 CB LEU A 152 10.832 2.126 -3.751 1.00 1.01 C ATOM 2397 CG LEU A 152 10.314 2.722 -5.075 1.00 1.03 C ATOM 2398 CD1 LEU A 152 11.284 2.368 -6.209 1.00 1.27 C ATOM 2399 CD2 LEU A 152 8.919 2.188 -5.412 1.00 1.00 C ATOM 0 H LEU A 152 11.333 4.259 -2.230 1.00 0.92 H new ATOM 0 HA LEU A 152 9.014 2.451 -2.602 1.00 0.83 H new ATOM 0 HB2 LEU A 152 11.888 2.375 -3.647 1.00 1.01 H new ATOM 0 HB3 LEU A 152 10.764 1.040 -3.808 1.00 1.01 H new ATOM 0 HG LEU A 152 10.250 3.804 -4.962 1.00 1.03 H new ATOM 0 HD11 LEU A 152 10.918 2.789 -7.145 1.00 1.27 H new ATOM 0 HD12 LEU A 152 12.269 2.779 -5.987 1.00 1.27 H new ATOM 0 HD13 LEU A 152 11.355 1.284 -6.302 1.00 1.27 H new ATOM 0 HD21 LEU A 152 8.579 2.625 -6.351 1.00 1.00 H new ATOM 0 HD22 LEU A 152 8.959 1.103 -5.510 1.00 1.00 H new ATOM 0 HD23 LEU A 152 8.225 2.455 -4.615 1.00 1.00 H new ATOM 2411 N TYR A 153 9.853 0.680 -0.999 1.00 0.72 N ATOM 2412 CA TYR A 153 10.061 -0.193 0.163 1.00 0.66 C ATOM 2413 C TYR A 153 9.734 -1.664 -0.177 1.00 1.13 C ATOM 2414 O TYR A 153 8.625 -1.978 -0.602 1.00 1.40 O ATOM 2415 CB TYR A 153 9.153 0.287 1.316 1.00 0.60 C ATOM 2416 CG TYR A 153 9.841 1.041 2.432 1.00 1.00 C ATOM 2417 CD1 TYR A 153 10.398 0.308 3.492 1.00 2.34 C ATOM 2418 CD2 TYR A 153 9.872 2.447 2.459 1.00 1.65 C ATOM 2419 CE1 TYR A 153 11.011 0.965 4.572 1.00 2.72 C ATOM 2420 CE2 TYR A 153 10.478 3.119 3.540 1.00 1.82 C ATOM 2421 CZ TYR A 153 11.064 2.376 4.593 1.00 1.84 C ATOM 2422 OH TYR A 153 11.710 2.991 5.621 1.00 2.40 O ATOM 0 H TYR A 153 9.091 0.359 -1.596 1.00 0.72 H new ATOM 0 HA TYR A 153 11.109 -0.141 0.458 1.00 0.66 H new ATOM 0 HB2 TYR A 153 8.376 0.926 0.898 1.00 0.60 H new ATOM 0 HB3 TYR A 153 8.654 -0.582 1.745 1.00 0.60 H new ATOM 0 HD1 TYR A 153 10.355 -0.771 3.477 1.00 2.34 H new ATOM 0 HD2 TYR A 153 9.431 3.012 1.651 1.00 1.65 H new ATOM 0 HE1 TYR A 153 11.440 0.394 5.382 1.00 2.72 H new ATOM 0 HE2 TYR A 153 10.495 4.199 3.565 1.00 1.82 H new ATOM 0 HH TYR A 153 12.221 3.753 5.277 1.00 2.40 H new ATOM 2432 N SER A 154 10.654 -2.597 0.063 1.00 0.99 N ATOM 2433 CA SER A 154 10.295 -4.027 0.170 1.00 0.87 C ATOM 2434 C SER A 154 9.679 -4.312 1.559 1.00 0.95 C ATOM 2435 O SER A 154 9.952 -3.542 2.491 1.00 1.11 O ATOM 2436 CB SER A 154 11.531 -4.893 -0.102 1.00 1.02 C ATOM 2437 OG SER A 154 11.910 -4.767 -1.459 1.00 1.68 O ATOM 0 H SER A 154 11.647 -2.400 0.187 1.00 0.99 H new ATOM 0 HA SER A 154 9.544 -4.279 -0.579 1.00 0.87 H new ATOM 0 HB2 SER A 154 12.352 -4.586 0.545 1.00 1.02 H new ATOM 0 HB3 SER A 154 11.315 -5.936 0.130 1.00 1.02 H new ATOM 0 HG SER A 154 12.701 -5.320 -1.630 1.00 1.68 H new ATOM 2443 N PRO A 155 8.864 -5.372 1.737 1.00 0.73 N ATOM 2444 CA PRO A 155 8.173 -5.624 3.001 1.00 0.92 C ATOM 2445 C PRO A 155 9.164 -5.944 4.125 1.00 1.12 C ATOM 2446 O PRO A 155 9.015 -5.440 5.234 1.00 1.11 O ATOM 2447 CB PRO A 155 7.198 -6.772 2.723 1.00 1.18 C ATOM 2448 CG PRO A 155 7.834 -7.510 1.546 1.00 1.02 C ATOM 2449 CD PRO A 155 8.528 -6.399 0.759 1.00 0.84 C ATOM 0 HA PRO A 155 7.633 -4.744 3.351 1.00 0.92 H new ATOM 0 HB2 PRO A 155 7.087 -7.422 3.591 1.00 1.18 H new ATOM 0 HB3 PRO A 155 6.204 -6.401 2.473 1.00 1.18 H new ATOM 0 HG2 PRO A 155 8.543 -8.266 1.883 1.00 1.02 H new ATOM 0 HG3 PRO A 155 7.085 -8.022 0.942 1.00 1.02 H new ATOM 0 HD2 PRO A 155 9.423 -6.773 0.261 1.00 0.84 H new ATOM 0 HD3 PRO A 155 7.874 -6.001 -0.017 1.00 0.84 H new ATOM 2457 N ASP A 156 10.241 -6.671 3.816 1.00 0.97 N ATOM 2458 CA ASP A 156 11.351 -6.991 4.721 1.00 1.25 C ATOM 2459 C ASP A 156 12.233 -5.772 5.092 1.00 1.37 C ATOM 2460 O ASP A 156 13.240 -5.897 5.793 1.00 1.74 O ATOM 2461 CB ASP A 156 12.170 -8.119 4.070 1.00 1.56 C ATOM 2462 CG ASP A 156 13.035 -7.652 2.893 1.00 1.51 C ATOM 2463 OD1 ASP A 156 12.608 -6.760 2.125 1.00 2.06 O ATOM 2464 OD2 ASP A 156 14.198 -8.114 2.833 1.00 2.54 O ATOM 0 H ASP A 156 10.370 -7.071 2.887 1.00 0.97 H new ATOM 0 HA ASP A 156 10.939 -7.315 5.677 1.00 1.25 H new ATOM 0 HB2 ASP A 156 12.813 -8.571 4.825 1.00 1.56 H new ATOM 0 HB3 ASP A 156 11.489 -8.897 3.723 1.00 1.56 H new ATOM 2469 N LYS A 157 11.860 -4.586 4.598 1.00 1.08 N ATOM 2470 CA LYS A 157 12.285 -3.277 5.089 1.00 1.15 C ATOM 2471 C LYS A 157 11.127 -2.536 5.790 1.00 1.38 C ATOM 2472 O LYS A 157 11.354 -1.935 6.839 1.00 1.54 O ATOM 2473 CB LYS A 157 12.880 -2.443 3.926 1.00 1.20 C ATOM 2474 CG LYS A 157 13.845 -3.197 2.992 1.00 1.55 C ATOM 2475 CD LYS A 157 15.058 -3.819 3.702 1.00 2.49 C ATOM 2476 CE LYS A 157 15.405 -5.183 3.099 1.00 2.96 C ATOM 2477 NZ LYS A 157 15.551 -6.223 4.146 1.00 3.91 N ATOM 0 H LYS A 157 11.222 -4.513 3.806 1.00 1.08 H new ATOM 0 HA LYS A 157 13.064 -3.422 5.838 1.00 1.15 H new ATOM 0 HB2 LYS A 157 12.058 -2.048 3.328 1.00 1.20 H new ATOM 0 HB3 LYS A 157 13.406 -1.587 4.349 1.00 1.20 H new ATOM 0 HG2 LYS A 157 13.294 -3.987 2.481 1.00 1.55 H new ATOM 0 HG3 LYS A 157 14.201 -2.509 2.225 1.00 1.55 H new ATOM 0 HD2 LYS A 157 15.915 -3.151 3.618 1.00 2.49 H new ATOM 0 HD3 LYS A 157 14.844 -3.931 4.765 1.00 2.49 H new ATOM 0 HE2 LYS A 157 14.626 -5.480 2.397 1.00 2.96 H new ATOM 0 HE3 LYS A 157 16.332 -5.105 2.531 1.00 2.96 H new ATOM 0 HZ1 LYS A 157 15.347 -7.158 3.738 1.00 3.91 H new ATOM 0 HZ2 LYS A 157 16.524 -6.211 4.514 1.00 3.91 H new ATOM 0 HZ3 LYS A 157 14.885 -6.031 4.921 1.00 3.91 H new ATOM 2491 N ALA A 158 9.904 -2.605 5.248 1.00 0.82 N ATOM 2492 CA ALA A 158 8.700 -1.922 5.746 1.00 0.79 C ATOM 2493 C ALA A 158 8.312 -2.308 7.185 1.00 1.05 C ATOM 2494 O ALA A 158 7.733 -1.489 7.896 1.00 1.08 O ATOM 2495 CB ALA A 158 7.542 -2.216 4.781 1.00 0.80 C ATOM 0 H ALA A 158 9.717 -3.162 4.414 1.00 0.82 H new ATOM 0 HA ALA A 158 8.921 -0.855 5.784 1.00 0.79 H new ATOM 0 HB1 ALA A 158 6.639 -1.718 5.134 1.00 0.80 H new ATOM 0 HB2 ALA A 158 7.795 -1.848 3.787 1.00 0.80 H new ATOM 0 HB3 ALA A 158 7.369 -3.291 4.737 1.00 0.80 H new ATOM 2501 N GLU A 159 8.657 -3.518 7.640 1.00 0.82 N ATOM 2502 CA GLU A 159 8.369 -3.934 9.017 1.00 0.90 C ATOM 2503 C GLU A 159 9.210 -3.188 10.074 1.00 1.17 C ATOM 2504 O GLU A 159 8.864 -3.173 11.259 1.00 1.37 O ATOM 2505 CB GLU A 159 8.437 -5.462 9.162 1.00 1.14 C ATOM 2506 CG GLU A 159 7.403 -6.126 8.238 1.00 1.41 C ATOM 2507 CD GLU A 159 7.016 -7.542 8.646 1.00 1.95 C ATOM 2508 OE1 GLU A 159 7.861 -8.251 9.234 1.00 2.44 O ATOM 2509 OE2 GLU A 159 5.843 -7.883 8.375 1.00 3.20 O ATOM 0 H GLU A 159 9.134 -4.223 7.078 1.00 0.82 H new ATOM 0 HA GLU A 159 7.341 -3.636 9.225 1.00 0.90 H new ATOM 0 HB2 GLU A 159 9.438 -5.815 8.913 1.00 1.14 H new ATOM 0 HB3 GLU A 159 8.247 -5.746 10.197 1.00 1.14 H new ATOM 0 HG2 GLU A 159 6.505 -5.509 8.214 1.00 1.41 H new ATOM 0 HG3 GLU A 159 7.801 -6.149 7.224 1.00 1.41 H new ATOM 2516 N ALA A 160 10.276 -2.485 9.667 1.00 0.92 N ATOM 2517 CA ALA A 160 11.014 -1.567 10.531 1.00 0.97 C ATOM 2518 C ALA A 160 10.204 -0.276 10.789 1.00 1.22 C ATOM 2519 O ALA A 160 10.511 0.775 10.215 1.00 1.19 O ATOM 2520 CB ALA A 160 12.407 -1.306 9.926 1.00 0.98 C ATOM 0 H ALA A 160 10.650 -2.541 8.720 1.00 0.92 H new ATOM 0 HA ALA A 160 11.164 -2.018 11.512 1.00 0.97 H new ATOM 0 HB1 ALA A 160 12.960 -0.621 10.569 1.00 0.98 H new ATOM 0 HB2 ALA A 160 12.951 -2.247 9.845 1.00 0.98 H new ATOM 0 HB3 ALA A 160 12.297 -0.865 8.935 1.00 0.98 H new ATOM 2526 N THR A 161 9.195 -0.347 11.678 1.00 1.04 N ATOM 2527 CA THR A 161 8.321 0.780 12.090 1.00 1.07 C ATOM 2528 C THR A 161 9.066 2.110 12.199 1.00 1.16 C ATOM 2529 O THR A 161 8.733 3.027 11.460 1.00 1.32 O ATOM 2530 CB THR A 161 7.586 0.458 13.399 1.00 1.17 C ATOM 2531 OG1 THR A 161 6.658 -0.582 13.183 1.00 1.30 O ATOM 2532 CG2 THR A 161 6.795 1.648 13.948 1.00 1.25 C ATOM 0 H THR A 161 8.953 -1.219 12.149 1.00 1.04 H new ATOM 0 HA THR A 161 7.586 0.901 11.295 1.00 1.07 H new ATOM 0 HB THR A 161 8.358 0.181 14.117 1.00 1.17 H new ATOM 0 HG1 THR A 161 6.010 -0.306 12.502 1.00 1.30 H new ATOM 0 HG21 THR A 161 6.298 1.358 14.874 1.00 1.25 H new ATOM 0 HG22 THR A 161 7.475 2.477 14.145 1.00 1.25 H new ATOM 0 HG23 THR A 161 6.048 1.957 13.217 1.00 1.25 H new ATOM 2540 N ASP A 162 10.080 2.231 13.059 1.00 1.12 N ATOM 2541 CA ASP A 162 10.790 3.502 13.275 1.00 1.14 C ATOM 2542 C ASP A 162 11.521 4.029 12.026 1.00 1.36 C ATOM 2543 O ASP A 162 11.723 5.235 11.890 1.00 1.41 O ATOM 2544 CB ASP A 162 11.740 3.362 14.480 1.00 1.15 C ATOM 2545 CG ASP A 162 11.048 3.803 15.773 1.00 1.82 C ATOM 2546 OD1 ASP A 162 9.982 3.238 16.109 1.00 2.65 O ATOM 2547 OD2 ASP A 162 11.489 4.798 16.386 1.00 2.80 O ATOM 0 H ASP A 162 10.433 1.459 13.624 1.00 1.12 H new ATOM 0 HA ASP A 162 10.037 4.259 13.492 1.00 1.14 H new ATOM 0 HB2 ASP A 162 12.067 2.326 14.572 1.00 1.15 H new ATOM 0 HB3 ASP A 162 12.633 3.965 14.316 1.00 1.15 H new ATOM 2552 N ARG A 163 11.872 3.150 11.079 1.00 1.18 N ATOM 2553 CA ARG A 163 12.358 3.543 9.753 1.00 1.20 C ATOM 2554 C ARG A 163 11.239 4.102 8.873 1.00 1.38 C ATOM 2555 O ARG A 163 11.426 5.165 8.288 1.00 1.62 O ATOM 2556 CB ARG A 163 13.063 2.386 9.040 1.00 1.20 C ATOM 2557 CG ARG A 163 14.191 1.731 9.858 1.00 1.42 C ATOM 2558 CD ARG A 163 15.283 2.744 10.192 1.00 1.45 C ATOM 2559 NE ARG A 163 16.416 2.129 10.908 1.00 1.69 N ATOM 2560 CZ ARG A 163 17.687 2.099 10.521 1.00 2.32 C ATOM 2561 NH1 ARG A 163 18.096 2.552 9.354 1.00 3.45 N ATOM 2562 NH2 ARG A 163 18.600 1.597 11.325 1.00 2.96 N ATOM 0 H ARG A 163 11.826 2.140 11.213 1.00 1.18 H new ATOM 0 HA ARG A 163 13.086 4.338 9.918 1.00 1.20 H new ATOM 0 HB2 ARG A 163 12.324 1.625 8.788 1.00 1.20 H new ATOM 0 HB3 ARG A 163 13.477 2.752 8.100 1.00 1.20 H new ATOM 0 HG2 ARG A 163 13.783 1.314 10.779 1.00 1.42 H new ATOM 0 HG3 ARG A 163 14.619 0.902 9.295 1.00 1.42 H new ATOM 0 HD2 ARG A 163 15.644 3.203 9.271 1.00 1.45 H new ATOM 0 HD3 ARG A 163 14.861 3.542 10.802 1.00 1.45 H new ATOM 0 HE ARG A 163 16.201 1.678 11.797 1.00 1.69 H new ATOM 0 HH11 ARG A 163 17.424 2.950 8.698 1.00 3.45 H new ATOM 0 HH12 ARG A 163 19.084 2.505 9.107 1.00 3.45 H new ATOM 0 HH21 ARG A 163 18.330 1.234 12.239 1.00 2.96 H new ATOM 0 HH22 ARG A 163 19.577 1.571 11.034 1.00 2.96 H new ATOM 2576 N VAL A 164 10.072 3.450 8.850 1.00 1.14 N ATOM 2577 CA VAL A 164 8.879 3.956 8.145 1.00 1.15 C ATOM 2578 C VAL A 164 8.420 5.291 8.747 1.00 1.29 C ATOM 2579 O VAL A 164 8.146 6.218 7.996 1.00 1.38 O ATOM 2580 CB VAL A 164 7.730 2.920 8.128 1.00 1.11 C ATOM 2581 CG1 VAL A 164 6.441 3.472 7.496 1.00 1.17 C ATOM 2582 CG2 VAL A 164 8.163 1.679 7.329 1.00 1.15 C ATOM 0 H VAL A 164 9.923 2.556 9.318 1.00 1.14 H new ATOM 0 HA VAL A 164 9.161 4.129 7.106 1.00 1.15 H new ATOM 0 HB VAL A 164 7.520 2.669 9.168 1.00 1.11 H new ATOM 0 HG11 VAL A 164 5.670 2.702 7.511 1.00 1.17 H new ATOM 0 HG12 VAL A 164 6.100 4.338 8.063 1.00 1.17 H new ATOM 0 HG13 VAL A 164 6.639 3.767 6.466 1.00 1.17 H new ATOM 0 HG21 VAL A 164 7.352 0.951 7.319 1.00 1.15 H new ATOM 0 HG22 VAL A 164 8.402 1.970 6.306 1.00 1.15 H new ATOM 0 HG23 VAL A 164 9.043 1.235 7.795 1.00 1.15 H new ATOM 2592 N VAL A 165 8.432 5.420 10.082 1.00 1.22 N ATOM 2593 CA VAL A 165 8.226 6.709 10.765 1.00 1.23 C ATOM 2594 C VAL A 165 9.158 7.780 10.190 1.00 1.34 C ATOM 2595 O VAL A 165 8.672 8.811 9.744 1.00 1.48 O ATOM 2596 CB VAL A 165 8.436 6.607 12.294 1.00 1.20 C ATOM 2597 CG1 VAL A 165 8.451 7.974 13.009 1.00 1.21 C ATOM 2598 CG2 VAL A 165 7.346 5.742 12.939 1.00 1.51 C ATOM 0 H VAL A 165 8.584 4.637 10.718 1.00 1.22 H new ATOM 0 HA VAL A 165 7.188 6.993 10.589 1.00 1.23 H new ATOM 0 HB VAL A 165 9.419 6.151 12.417 1.00 1.20 H new ATOM 0 HG11 VAL A 165 8.602 7.824 14.078 1.00 1.21 H new ATOM 0 HG12 VAL A 165 9.261 8.584 12.610 1.00 1.21 H new ATOM 0 HG13 VAL A 165 7.500 8.481 12.845 1.00 1.21 H new ATOM 0 HG21 VAL A 165 7.515 5.685 14.014 1.00 1.51 H new ATOM 0 HG22 VAL A 165 6.369 6.186 12.748 1.00 1.51 H new ATOM 0 HG23 VAL A 165 7.378 4.739 12.513 1.00 1.51 H new ATOM 2608 N ALA A 166 10.479 7.552 10.180 1.00 1.21 N ATOM 2609 CA ALA A 166 11.450 8.564 9.765 1.00 1.25 C ATOM 2610 C ALA A 166 11.383 8.915 8.263 1.00 1.38 C ATOM 2611 O ALA A 166 11.456 10.092 7.918 1.00 1.52 O ATOM 2612 CB ALA A 166 12.836 8.077 10.201 1.00 1.26 C ATOM 0 H ALA A 166 10.899 6.665 10.458 1.00 1.21 H new ATOM 0 HA ALA A 166 11.212 9.509 10.254 1.00 1.25 H new ATOM 0 HB1 ALA A 166 13.588 8.809 9.907 1.00 1.26 H new ATOM 0 HB2 ALA A 166 12.854 7.953 11.284 1.00 1.26 H new ATOM 0 HB3 ALA A 166 13.053 7.122 9.723 1.00 1.26 H new ATOM 2618 N ASP A 167 11.178 7.934 7.380 1.00 1.18 N ATOM 2619 CA ASP A 167 11.021 8.180 5.936 1.00 1.18 C ATOM 2620 C ASP A 167 9.705 8.900 5.592 1.00 1.52 C ATOM 2621 O ASP A 167 9.700 9.725 4.680 1.00 1.54 O ATOM 2622 CB ASP A 167 11.149 6.869 5.138 1.00 1.15 C ATOM 2623 CG ASP A 167 12.594 6.482 4.802 1.00 1.67 C ATOM 2624 OD1 ASP A 167 13.398 7.346 4.387 1.00 2.43 O ATOM 2625 OD2 ASP A 167 12.919 5.278 4.917 1.00 2.70 O ATOM 0 H ASP A 167 11.116 6.950 7.640 1.00 1.18 H new ATOM 0 HA ASP A 167 11.831 8.850 5.646 1.00 1.18 H new ATOM 0 HB2 ASP A 167 10.691 6.062 5.709 1.00 1.15 H new ATOM 0 HB3 ASP A 167 10.584 6.963 4.211 1.00 1.15 H new ATOM 2630 N LEU A 168 8.613 8.649 6.330 1.00 1.21 N ATOM 2631 CA LEU A 168 7.377 9.440 6.233 1.00 1.25 C ATOM 2632 C LEU A 168 7.532 10.840 6.835 1.00 1.53 C ATOM 2633 O LEU A 168 6.928 11.779 6.323 1.00 1.67 O ATOM 2634 CB LEU A 168 6.204 8.726 6.929 1.00 1.31 C ATOM 2635 CG LEU A 168 5.703 7.429 6.260 1.00 1.34 C ATOM 2636 CD1 LEU A 168 4.673 6.771 7.193 1.00 1.85 C ATOM 2637 CD2 LEU A 168 5.057 7.675 4.890 1.00 1.63 C ATOM 0 H LEU A 168 8.562 7.891 7.011 1.00 1.21 H new ATOM 0 HA LEU A 168 7.167 9.542 5.168 1.00 1.25 H new ATOM 0 HB2 LEU A 168 6.503 8.491 7.950 1.00 1.31 H new ATOM 0 HB3 LEU A 168 5.368 9.423 6.994 1.00 1.31 H new ATOM 0 HG LEU A 168 6.566 6.784 6.094 1.00 1.34 H new ATOM 0 HD11 LEU A 168 4.306 5.851 6.738 1.00 1.85 H new ATOM 0 HD12 LEU A 168 5.143 6.541 8.149 1.00 1.85 H new ATOM 0 HD13 LEU A 168 3.839 7.454 7.354 1.00 1.85 H new ATOM 0 HD21 LEU A 168 4.724 6.726 4.469 1.00 1.63 H new ATOM 0 HD22 LEU A 168 4.202 8.341 5.005 1.00 1.63 H new ATOM 0 HD23 LEU A 168 5.786 8.133 4.221 1.00 1.63 H new ATOM 2649 N GLN A 169 8.331 10.996 7.897 1.00 1.35 N ATOM 2650 CA GLN A 169 8.607 12.287 8.538 1.00 1.48 C ATOM 2651 C GLN A 169 9.293 13.277 7.584 1.00 1.66 C ATOM 2652 O GLN A 169 9.102 14.481 7.723 1.00 1.79 O ATOM 2653 CB GLN A 169 9.427 12.077 9.821 1.00 1.50 C ATOM 2654 CG GLN A 169 8.586 11.540 10.997 1.00 1.73 C ATOM 2655 CD GLN A 169 8.107 12.614 11.965 1.00 2.11 C ATOM 2656 OE1 GLN A 169 6.927 12.799 12.214 1.00 3.06 O ATOM 2657 NE2 GLN A 169 9.003 13.342 12.596 1.00 2.07 N ATOM 0 H GLN A 169 8.812 10.215 8.343 1.00 1.35 H new ATOM 0 HA GLN A 169 7.651 12.736 8.807 1.00 1.48 H new ATOM 0 HB2 GLN A 169 10.240 11.380 9.615 1.00 1.50 H new ATOM 0 HB3 GLN A 169 9.884 13.023 10.111 1.00 1.50 H new ATOM 0 HG2 GLN A 169 7.719 11.014 10.598 1.00 1.73 H new ATOM 0 HG3 GLN A 169 9.177 10.808 11.548 1.00 1.73 H new ATOM 0 HE21 GLN A 169 9.996 13.207 12.406 1.00 2.07 H new ATOM 0 HE22 GLN A 169 8.705 14.042 13.276 1.00 2.07 H new ATOM 2666 N ALA A 170 10.044 12.789 6.590 1.00 1.48 N ATOM 2667 CA ALA A 170 10.612 13.590 5.504 1.00 1.57 C ATOM 2668 C ALA A 170 9.589 14.112 4.473 1.00 1.80 C ATOM 2669 O ALA A 170 9.934 14.969 3.660 1.00 1.96 O ATOM 2670 CB ALA A 170 11.656 12.716 4.813 1.00 1.58 C ATOM 0 H ALA A 170 10.279 11.799 6.519 1.00 1.48 H new ATOM 0 HA ALA A 170 11.036 14.493 5.942 1.00 1.57 H new ATOM 0 HB1 ALA A 170 12.110 13.271 3.992 1.00 1.58 H new ATOM 0 HB2 ALA A 170 12.427 12.434 5.530 1.00 1.58 H new ATOM 0 HB3 ALA A 170 11.178 11.818 4.422 1.00 1.58 H new ATOM 2676 N LEU A 171 8.379 13.546 4.433 1.00 1.67 N ATOM 2677 CA LEU A 171 7.378 13.737 3.370 1.00 1.73 C ATOM 2678 C LEU A 171 6.096 14.444 3.860 1.00 2.09 C ATOM 2679 O LEU A 171 5.114 14.501 3.119 1.00 2.36 O ATOM 2680 CB LEU A 171 7.064 12.354 2.767 1.00 1.59 C ATOM 2681 CG LEU A 171 8.270 11.625 2.141 1.00 1.43 C ATOM 2682 CD1 LEU A 171 7.820 10.224 1.722 1.00 1.49 C ATOM 2683 CD2 LEU A 171 8.842 12.377 0.928 1.00 1.81 C ATOM 0 H LEU A 171 8.054 12.917 5.167 1.00 1.67 H new ATOM 0 HA LEU A 171 7.792 14.402 2.613 1.00 1.73 H new ATOM 0 HB2 LEU A 171 6.642 11.721 3.548 1.00 1.59 H new ATOM 0 HB3 LEU A 171 6.295 12.474 2.004 1.00 1.59 H new ATOM 0 HG LEU A 171 9.066 11.573 2.884 1.00 1.43 H new ATOM 0 HD11 LEU A 171 8.659 9.690 1.276 1.00 1.49 H new ATOM 0 HD12 LEU A 171 7.467 9.678 2.597 1.00 1.49 H new ATOM 0 HD13 LEU A 171 7.013 10.304 0.994 1.00 1.49 H new ATOM 0 HD21 LEU A 171 9.689 11.823 0.523 1.00 1.81 H new ATOM 0 HD22 LEU A 171 8.072 12.473 0.163 1.00 1.81 H new ATOM 0 HD23 LEU A 171 9.171 13.369 1.237 1.00 1.81 H new ATOM 2695 N LEU A 172 6.100 14.935 5.108 1.00 1.77 N ATOM 2696 CA LEU A 172 5.014 15.637 5.820 1.00 1.88 C ATOM 2697 C LEU A 172 4.201 16.710 5.067 1.00 2.18 C ATOM 2698 O LEU A 172 4.697 17.347 4.111 1.00 1.92 O ATOM 2699 CB LEU A 172 5.610 16.196 7.136 1.00 1.90 C ATOM 2700 CG LEU A 172 5.155 15.468 8.406 1.00 2.25 C ATOM 2701 CD1 LEU A 172 3.686 15.757 8.692 1.00 3.31 C ATOM 2702 CD2 LEU A 172 5.332 13.956 8.307 1.00 2.18 C ATOM 2703 OXT LEU A 172 3.011 16.856 5.435 1.00 3.58 O ATOM 0 H LEU A 172 6.929 14.846 5.696 1.00 1.77 H new ATOM 0 HA LEU A 172 4.243 14.882 5.977 1.00 1.88 H new ATOM 0 HB2 LEU A 172 6.697 16.148 7.076 1.00 1.90 H new ATOM 0 HB3 LEU A 172 5.342 17.249 7.222 1.00 1.90 H new ATOM 0 HG LEU A 172 5.785 15.842 9.213 1.00 2.25 H new ATOM 0 HD11 LEU A 172 3.381 15.232 9.597 1.00 3.31 H new ATOM 0 HD12 LEU A 172 3.546 16.829 8.830 1.00 3.31 H new ATOM 0 HD13 LEU A 172 3.078 15.417 7.853 1.00 3.31 H new ATOM 0 HD21 LEU A 172 4.995 13.489 9.232 1.00 2.18 H new ATOM 0 HD22 LEU A 172 4.743 13.575 7.473 1.00 2.18 H new ATOM 0 HD23 LEU A 172 6.384 13.723 8.145 1.00 2.18 H new