USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=30 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+ -131:sc= -0.134 (180deg=-2.56!) USER MOD Set 2.1: A 64 LYS NZ :NH3+ -175:sc= 0.707 (180deg=0) USER MOD Set 2.2: A 169 GLN : amide:sc= 0.457 K(o=1.2,f=-5.5!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.348 X(o=0.35,f=-0.0093) USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.2) USER MOD Single : A 25 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.0011) USER MOD Single : A 31 SER OG : rot -125:sc= 1.29 USER MOD Single : A 32 GLN : amide:sc= 0.798 K(o=0.8,f=-4.3!) USER MOD Single : A 34 GLN : amide:sc= -0.0112 K(o=-0.011,f=-1.7) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0.454 (180deg=0.411) USER MOD Single : A 45 THR OG1 : rot -134:sc= 0.963 USER MOD Single : A 47 CYS SG : rot -176:sc= 0.159 USER MOD Single : A 51 CYS SG : rot 175:sc= 0.016 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 92:sc= 0.687 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 2.15 (180deg=1.84) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.028) USER MOD Single : A 79 SER OG : rot -84:sc= 1.22 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 150:sc= 0.621! (180deg=-0.509) USER MOD Single : A 98 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-1.9) USER MOD Single : A 100 SER OG : rot -49:sc= 0.41 USER MOD Single : A 105 SER OG : rot 180:sc= 1.19 USER MOD Single : A 107 SER OG : rot 152:sc= 1.23 USER MOD Single : A 116 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.0021) USER MOD Single : A 117 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 122 TYR OH : rot -14:sc= 0.159 USER MOD Single : A 123 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HE2:sc= 0.824 K(o=0.82,f=-2.8!) USER MOD Single : A 138 THR OG1 : rot -153:sc= 0.626 USER MOD Single : A 140 THR OG1 : rot 69:sc= -1.18! USER MOD Single : A 141 THR OG1 : rot -27:sc= 0.198 USER MOD Single : A 145 LYS NZ :NH3+ -156:sc= 1.05 (180deg=0.293) USER MOD Single : A 153 TYR OH : rot -34:sc= 0.194 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 161 THR OG1 : rot 180:sc= -0.028 USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.294 4.579 4.274 1.00 1.43 N ATOM 90 CA TYR A 7 15.416 3.119 4.436 1.00 1.44 C ATOM 91 C TYR A 7 14.602 2.314 3.403 1.00 1.55 C ATOM 92 O TYR A 7 14.825 1.110 3.258 1.00 1.79 O ATOM 93 CB TYR A 7 15.050 2.733 5.875 1.00 1.79 C ATOM 94 CG TYR A 7 15.400 1.300 6.260 1.00 1.49 C ATOM 95 CD1 TYR A 7 16.752 0.925 6.406 1.00 2.27 C ATOM 96 CD2 TYR A 7 14.385 0.345 6.486 1.00 2.51 C ATOM 97 CE1 TYR A 7 17.091 -0.399 6.744 1.00 2.80 C ATOM 98 CE2 TYR A 7 14.718 -0.979 6.836 1.00 2.56 C ATOM 99 CZ TYR A 7 16.074 -1.361 6.950 1.00 2.29 C ATOM 100 OH TYR A 7 16.402 -2.655 7.224 1.00 3.03 O ATOM 0 HA TYR A 7 16.455 2.854 4.242 1.00 1.44 H new ATOM 0 HB2 TYR A 7 15.558 3.413 6.559 1.00 1.79 H new ATOM 0 HB3 TYR A 7 13.979 2.881 6.015 1.00 1.79 H new ATOM 0 HD1 TYR A 7 17.531 1.658 6.258 1.00 2.27 H new ATOM 0 HD2 TYR A 7 13.348 0.631 6.390 1.00 2.51 H new ATOM 0 HE1 TYR A 7 18.129 -0.681 6.846 1.00 2.80 H new ATOM 0 HE2 TYR A 7 13.937 -1.702 7.017 1.00 2.56 H new ATOM 0 HH TYR A 7 15.584 -3.183 7.338 1.00 3.03 H new ATOM 110 N GLY A 8 13.734 2.971 2.623 1.00 1.21 N ATOM 111 CA GLY A 8 13.233 2.422 1.361 1.00 1.08 C ATOM 112 C GLY A 8 14.238 2.624 0.221 1.00 1.11 C ATOM 113 O GLY A 8 15.412 2.939 0.437 1.00 1.51 O ATOM 0 H GLY A 8 13.362 3.893 2.849 1.00 1.21 H new ATOM 0 HA2 GLY A 8 13.028 1.358 1.482 1.00 1.08 H new ATOM 0 HA3 GLY A 8 12.289 2.902 1.104 1.00 1.08 H new ATOM 117 N THR A 9 13.779 2.447 -1.015 1.00 0.91 N ATOM 118 CA THR A 9 14.567 2.674 -2.237 1.00 0.96 C ATOM 119 C THR A 9 14.100 3.977 -2.876 1.00 1.13 C ATOM 120 O THR A 9 12.986 4.061 -3.402 1.00 1.11 O ATOM 121 CB THR A 9 14.429 1.501 -3.210 1.00 1.11 C ATOM 122 OG1 THR A 9 14.536 0.283 -2.510 1.00 1.29 O ATOM 123 CG2 THR A 9 15.507 1.533 -4.291 1.00 1.29 C ATOM 0 H THR A 9 12.827 2.134 -1.206 1.00 0.91 H new ATOM 0 HA THR A 9 15.624 2.749 -1.982 1.00 0.96 H new ATOM 0 HB THR A 9 13.452 1.587 -3.686 1.00 1.11 H new ATOM 0 HG1 THR A 9 14.445 -0.464 -3.138 1.00 1.29 H new ATOM 0 HG21 THR A 9 15.375 0.684 -4.962 1.00 1.29 H new ATOM 0 HG22 THR A 9 15.426 2.460 -4.858 1.00 1.29 H new ATOM 0 HG23 THR A 9 16.491 1.478 -3.825 1.00 1.29 H new ATOM 131 N ARG A 10 14.945 5.011 -2.785 1.00 1.00 N ATOM 132 CA ARG A 10 14.637 6.345 -3.287 1.00 1.09 C ATOM 133 C ARG A 10 14.962 6.481 -4.769 1.00 1.61 C ATOM 134 O ARG A 10 16.055 6.143 -5.219 1.00 1.84 O ATOM 135 CB ARG A 10 15.278 7.434 -2.410 1.00 1.09 C ATOM 136 CG ARG A 10 14.583 8.778 -2.674 1.00 1.46 C ATOM 137 CD ARG A 10 14.902 9.865 -1.639 1.00 1.75 C ATOM 138 NE ARG A 10 16.216 10.495 -1.892 1.00 2.38 N ATOM 139 CZ ARG A 10 16.515 11.789 -1.784 1.00 3.06 C ATOM 140 NH1 ARG A 10 15.683 12.668 -1.259 1.00 3.49 N ATOM 141 NH2 ARG A 10 17.681 12.228 -2.207 1.00 4.17 N ATOM 0 H ARG A 10 15.868 4.939 -2.357 1.00 1.00 H new ATOM 0 HA ARG A 10 13.560 6.495 -3.212 1.00 1.09 H new ATOM 0 HB2 ARG A 10 15.189 7.167 -1.357 1.00 1.09 H new ATOM 0 HB3 ARG A 10 16.343 7.513 -2.630 1.00 1.09 H new ATOM 0 HG2 ARG A 10 14.873 9.136 -3.662 1.00 1.46 H new ATOM 0 HG3 ARG A 10 13.505 8.619 -2.696 1.00 1.46 H new ATOM 0 HD2 ARG A 10 14.123 10.627 -1.661 1.00 1.75 H new ATOM 0 HD3 ARG A 10 14.894 9.429 -0.640 1.00 1.75 H new ATOM 0 HE ARG A 10 16.972 9.874 -2.179 1.00 2.38 H new ATOM 0 HH11 ARG A 10 14.771 12.366 -0.917 1.00 3.49 H new ATOM 0 HH12 ARG A 10 15.952 13.650 -1.195 1.00 3.49 H new ATOM 0 HH21 ARG A 10 18.353 11.578 -2.616 1.00 4.17 H new ATOM 0 HH22 ARG A 10 17.913 13.218 -2.126 1.00 4.17 H new ATOM 155 N LEU A 11 13.983 6.988 -5.519 1.00 1.33 N ATOM 156 CA LEU A 11 14.102 7.191 -6.963 1.00 1.46 C ATOM 157 C LEU A 11 15.058 8.351 -7.281 1.00 2.04 C ATOM 158 O LEU A 11 15.194 9.290 -6.496 1.00 2.44 O ATOM 159 CB LEU A 11 12.716 7.422 -7.598 1.00 1.28 C ATOM 160 CG LEU A 11 11.663 6.316 -7.361 1.00 1.15 C ATOM 161 CD1 LEU A 11 10.433 6.611 -8.231 1.00 1.35 C ATOM 162 CD2 LEU A 11 12.180 4.906 -7.689 1.00 1.22 C ATOM 0 H LEU A 11 13.080 7.271 -5.139 1.00 1.33 H new ATOM 0 HA LEU A 11 14.525 6.286 -7.398 1.00 1.46 H new ATOM 0 HB2 LEU A 11 12.317 8.362 -7.217 1.00 1.28 H new ATOM 0 HB3 LEU A 11 12.848 7.544 -8.673 1.00 1.28 H new ATOM 0 HG LEU A 11 11.417 6.327 -6.299 1.00 1.15 H new ATOM 0 HD11 LEU A 11 9.682 5.837 -8.073 1.00 1.35 H new ATOM 0 HD12 LEU A 11 10.018 7.581 -7.957 1.00 1.35 H new ATOM 0 HD13 LEU A 11 10.725 6.624 -9.281 1.00 1.35 H new ATOM 0 HD21 LEU A 11 11.392 4.177 -7.501 1.00 1.22 H new ATOM 0 HD22 LEU A 11 12.473 4.861 -8.738 1.00 1.22 H new ATOM 0 HD23 LEU A 11 13.042 4.679 -7.061 1.00 1.22 H new ATOM 174 N LEU A 12 15.676 8.295 -8.466 1.00 2.13 N ATOM 175 CA LEU A 12 16.506 9.378 -9.020 1.00 2.49 C ATOM 176 C LEU A 12 15.638 10.599 -9.368 1.00 2.16 C ATOM 177 O LEU A 12 16.024 11.743 -9.134 1.00 2.69 O ATOM 178 CB LEU A 12 17.260 8.810 -10.247 1.00 2.93 C ATOM 179 CG LEU A 12 18.630 9.434 -10.600 1.00 3.48 C ATOM 180 CD1 LEU A 12 18.570 10.940 -10.889 1.00 3.80 C ATOM 181 CD2 LEU A 12 19.679 9.149 -9.514 1.00 3.93 C ATOM 0 H LEU A 12 15.614 7.483 -9.080 1.00 2.13 H new ATOM 0 HA LEU A 12 17.235 9.729 -8.289 1.00 2.49 H new ATOM 0 HB2 LEU A 12 17.409 7.743 -10.084 1.00 2.93 H new ATOM 0 HB3 LEU A 12 16.611 8.912 -11.117 1.00 2.93 H new ATOM 0 HG LEU A 12 18.931 8.947 -11.527 1.00 3.48 H new ATOM 0 HD11 LEU A 12 19.569 11.305 -11.128 1.00 3.80 H new ATOM 0 HD12 LEU A 12 17.905 11.122 -11.733 1.00 3.80 H new ATOM 0 HD13 LEU A 12 18.193 11.464 -10.011 1.00 3.80 H new ATOM 0 HD21 LEU A 12 20.629 9.603 -9.797 1.00 3.93 H new ATOM 0 HD22 LEU A 12 19.344 9.569 -8.566 1.00 3.93 H new ATOM 0 HD23 LEU A 12 19.809 8.072 -9.408 1.00 3.93 H new ATOM 193 N ASN A 13 14.420 10.357 -9.867 1.00 1.53 N ATOM 194 CA ASN A 13 13.383 11.374 -10.049 1.00 1.60 C ATOM 195 C ASN A 13 11.970 10.753 -9.940 1.00 1.48 C ATOM 196 O ASN A 13 11.778 9.625 -10.406 1.00 1.58 O ATOM 197 CB ASN A 13 13.597 12.109 -11.387 1.00 2.01 C ATOM 198 CG ASN A 13 13.713 13.615 -11.182 1.00 3.47 C ATOM 199 OD1 ASN A 13 12.837 14.376 -11.563 1.00 4.03 O ATOM 200 ND2 ASN A 13 14.774 14.069 -10.540 1.00 5.01 N ATOM 0 H ASN A 13 14.123 9.427 -10.162 1.00 1.53 H new ATOM 0 HA ASN A 13 13.461 12.110 -9.249 1.00 1.60 H new ATOM 0 HB2 ASN A 13 14.501 11.735 -11.869 1.00 2.01 H new ATOM 0 HB3 ASN A 13 12.766 11.895 -12.059 1.00 2.01 H new ATOM 0 HD21 ASN A 13 14.870 15.068 -10.356 1.00 5.01 H new ATOM 0 HD22 ASN A 13 15.497 13.421 -10.228 1.00 5.01 H new ATOM 207 N PRO A 14 10.998 11.440 -9.300 1.00 1.19 N ATOM 208 CA PRO A 14 9.706 10.860 -8.930 1.00 1.13 C ATOM 209 C PRO A 14 8.747 10.693 -10.121 1.00 1.29 C ATOM 210 O PRO A 14 8.490 11.628 -10.881 1.00 1.39 O ATOM 211 CB PRO A 14 9.149 11.770 -7.833 1.00 1.19 C ATOM 212 CG PRO A 14 9.789 13.127 -8.128 1.00 1.29 C ATOM 213 CD PRO A 14 11.161 12.742 -8.664 1.00 1.31 C ATOM 0 HA PRO A 14 9.827 9.838 -8.571 1.00 1.13 H new ATOM 0 HB2 PRO A 14 8.061 11.824 -7.871 1.00 1.19 H new ATOM 0 HB3 PRO A 14 9.416 11.409 -6.840 1.00 1.19 H new ATOM 0 HG2 PRO A 14 9.214 13.695 -8.859 1.00 1.29 H new ATOM 0 HG3 PRO A 14 9.863 13.743 -7.232 1.00 1.29 H new ATOM 0 HD2 PRO A 14 11.522 13.482 -9.379 1.00 1.31 H new ATOM 0 HD3 PRO A 14 11.894 12.693 -7.859 1.00 1.31 H new ATOM 221 N LYS A 15 8.201 9.482 -10.271 1.00 1.02 N ATOM 222 CA LYS A 15 7.457 9.034 -11.457 1.00 1.22 C ATOM 223 C LYS A 15 5.929 9.208 -11.284 1.00 1.33 C ATOM 224 O LYS A 15 5.375 8.658 -10.334 1.00 1.36 O ATOM 225 CB LYS A 15 7.856 7.570 -11.706 1.00 1.45 C ATOM 226 CG LYS A 15 7.578 6.982 -13.103 1.00 1.76 C ATOM 227 CD LYS A 15 6.134 6.601 -13.453 1.00 1.67 C ATOM 228 CE LYS A 15 5.531 5.547 -12.515 1.00 1.92 C ATOM 229 NZ LYS A 15 4.178 5.147 -12.969 1.00 2.85 N ATOM 0 H LYS A 15 8.265 8.763 -9.550 1.00 1.02 H new ATOM 0 HA LYS A 15 7.711 9.646 -12.323 1.00 1.22 H new ATOM 0 HB2 LYS A 15 8.924 7.474 -11.508 1.00 1.45 H new ATOM 0 HB3 LYS A 15 7.339 6.952 -10.972 1.00 1.45 H new ATOM 0 HG2 LYS A 15 7.921 7.705 -13.843 1.00 1.76 H new ATOM 0 HG3 LYS A 15 8.195 6.091 -13.218 1.00 1.76 H new ATOM 0 HD2 LYS A 15 5.514 7.497 -13.425 1.00 1.67 H new ATOM 0 HD3 LYS A 15 6.104 6.225 -14.475 1.00 1.67 H new ATOM 0 HE2 LYS A 15 6.180 4.672 -12.479 1.00 1.92 H new ATOM 0 HE3 LYS A 15 5.476 5.945 -11.502 1.00 1.92 H new ATOM 0 HZ1 LYS A 15 3.825 4.374 -12.370 1.00 2.85 H new ATOM 0 HZ2 LYS A 15 3.534 5.961 -12.899 1.00 2.85 H new ATOM 0 HZ3 LYS A 15 4.224 4.826 -13.957 1.00 2.85 H new ATOM 243 N PRO A 16 5.229 9.920 -12.189 1.00 1.29 N ATOM 244 CA PRO A 16 3.818 10.275 -12.026 1.00 1.26 C ATOM 245 C PRO A 16 2.914 9.035 -12.052 1.00 1.28 C ATOM 246 O PRO A 16 3.208 8.062 -12.752 1.00 1.27 O ATOM 247 CB PRO A 16 3.511 11.279 -13.141 1.00 1.53 C ATOM 248 CG PRO A 16 4.550 10.968 -14.220 1.00 1.62 C ATOM 249 CD PRO A 16 5.752 10.427 -13.444 1.00 1.52 C ATOM 0 HA PRO A 16 3.620 10.724 -11.053 1.00 1.26 H new ATOM 0 HB2 PRO A 16 2.496 11.157 -13.518 1.00 1.53 H new ATOM 0 HB3 PRO A 16 3.599 12.306 -12.788 1.00 1.53 H new ATOM 0 HG2 PRO A 16 4.175 10.235 -14.934 1.00 1.62 H new ATOM 0 HG3 PRO A 16 4.812 11.860 -14.788 1.00 1.62 H new ATOM 0 HD2 PRO A 16 6.254 9.638 -14.004 1.00 1.52 H new ATOM 0 HD3 PRO A 16 6.488 11.212 -13.270 1.00 1.52 H new ATOM 257 N VAL A 17 1.831 9.073 -11.266 1.00 0.82 N ATOM 258 CA VAL A 17 0.930 7.936 -10.995 1.00 0.66 C ATOM 259 C VAL A 17 -0.461 8.410 -10.556 1.00 1.07 C ATOM 260 O VAL A 17 -0.602 9.465 -9.941 1.00 1.23 O ATOM 261 CB VAL A 17 1.459 6.973 -9.893 1.00 0.62 C ATOM 262 CG1 VAL A 17 2.594 6.072 -10.393 1.00 0.79 C ATOM 263 CG2 VAL A 17 1.920 7.684 -8.615 1.00 0.80 C ATOM 0 H VAL A 17 1.544 9.924 -10.782 1.00 0.82 H new ATOM 0 HA VAL A 17 0.879 7.398 -11.942 1.00 0.66 H new ATOM 0 HB VAL A 17 0.592 6.361 -9.645 1.00 0.62 H new ATOM 0 HG11 VAL A 17 2.925 5.421 -9.584 1.00 0.79 H new ATOM 0 HG12 VAL A 17 2.237 5.465 -11.225 1.00 0.79 H new ATOM 0 HG13 VAL A 17 3.428 6.689 -10.726 1.00 0.79 H new ATOM 0 HG21 VAL A 17 2.274 6.946 -7.896 1.00 0.80 H new ATOM 0 HG22 VAL A 17 2.729 8.375 -8.854 1.00 0.80 H new ATOM 0 HG23 VAL A 17 1.085 8.238 -8.185 1.00 0.80 H new ATOM 273 N ASP A 18 -1.451 7.559 -10.810 1.00 0.68 N ATOM 274 CA ASP A 18 -2.781 7.517 -10.188 1.00 0.76 C ATOM 275 C ASP A 18 -3.154 6.021 -10.054 1.00 1.23 C ATOM 276 O ASP A 18 -2.359 5.142 -10.402 1.00 1.92 O ATOM 277 CB ASP A 18 -3.787 8.332 -11.045 1.00 0.81 C ATOM 278 CG ASP A 18 -5.131 8.704 -10.378 1.00 1.17 C ATOM 279 OD1 ASP A 18 -5.407 8.299 -9.226 1.00 2.32 O ATOM 280 OD2 ASP A 18 -5.927 9.434 -11.006 1.00 1.89 O ATOM 0 H ASP A 18 -1.341 6.823 -11.508 1.00 0.68 H new ATOM 0 HA ASP A 18 -2.799 7.976 -9.200 1.00 0.76 H new ATOM 0 HB2 ASP A 18 -3.297 9.254 -11.359 1.00 0.81 H new ATOM 0 HB3 ASP A 18 -4.003 7.762 -11.949 1.00 0.81 H new ATOM 285 N PHE A 19 -4.356 5.701 -9.587 1.00 0.95 N ATOM 286 CA PHE A 19 -4.921 4.353 -9.646 1.00 1.17 C ATOM 287 C PHE A 19 -6.443 4.407 -9.752 1.00 1.49 C ATOM 288 O PHE A 19 -7.062 5.433 -9.490 1.00 1.63 O ATOM 289 CB PHE A 19 -4.469 3.520 -8.434 1.00 1.50 C ATOM 290 CG PHE A 19 -4.978 3.977 -7.075 1.00 1.58 C ATOM 291 CD1 PHE A 19 -6.269 3.620 -6.634 1.00 2.06 C ATOM 292 CD2 PHE A 19 -4.144 4.720 -6.222 1.00 2.42 C ATOM 293 CE1 PHE A 19 -6.721 4.014 -5.364 1.00 2.29 C ATOM 294 CE2 PHE A 19 -4.601 5.122 -4.956 1.00 2.49 C ATOM 295 CZ PHE A 19 -5.889 4.776 -4.529 1.00 2.10 C ATOM 0 H PHE A 19 -4.977 6.381 -9.149 1.00 0.95 H new ATOM 0 HA PHE A 19 -4.546 3.861 -10.544 1.00 1.17 H new ATOM 0 HB2 PHE A 19 -4.787 2.489 -8.590 1.00 1.50 H new ATOM 0 HB3 PHE A 19 -3.379 3.517 -8.408 1.00 1.50 H new ATOM 0 HD1 PHE A 19 -6.914 3.040 -7.277 1.00 2.06 H new ATOM 0 HD2 PHE A 19 -3.147 4.983 -6.542 1.00 2.42 H new ATOM 0 HE1 PHE A 19 -7.708 3.731 -5.030 1.00 2.29 H new ATOM 0 HE2 PHE A 19 -3.957 5.700 -4.310 1.00 2.49 H new ATOM 0 HZ PHE A 19 -6.241 5.095 -3.559 1.00 2.10 H new ATOM 305 N ALA A 20 -7.067 3.269 -10.059 1.00 1.15 N ATOM 306 CA ALA A 20 -8.504 3.066 -9.883 1.00 1.01 C ATOM 307 C ALA A 20 -8.772 1.647 -9.361 1.00 1.12 C ATOM 308 O ALA A 20 -8.503 0.676 -10.059 1.00 1.14 O ATOM 309 CB ALA A 20 -9.208 3.353 -11.215 1.00 1.10 C ATOM 0 H ALA A 20 -6.584 2.455 -10.440 1.00 1.15 H new ATOM 0 HA ALA A 20 -8.905 3.753 -9.138 1.00 1.01 H new ATOM 0 HB1 ALA A 20 -10.282 3.205 -11.098 1.00 1.10 H new ATOM 0 HB2 ALA A 20 -9.014 4.383 -11.515 1.00 1.10 H new ATOM 0 HB3 ALA A 20 -8.830 2.675 -11.980 1.00 1.10 H new ATOM 315 N LEU A 21 -9.288 1.539 -8.132 1.00 0.95 N ATOM 316 CA LEU A 21 -9.836 0.311 -7.536 1.00 0.79 C ATOM 317 C LEU A 21 -11.263 0.583 -7.038 1.00 0.88 C ATOM 318 O LEU A 21 -11.673 1.741 -6.940 1.00 1.07 O ATOM 319 CB LEU A 21 -8.972 -0.170 -6.339 1.00 0.94 C ATOM 320 CG LEU A 21 -7.628 -0.885 -6.587 1.00 0.99 C ATOM 321 CD1 LEU A 21 -7.730 -1.983 -7.651 1.00 1.72 C ATOM 322 CD2 LEU A 21 -6.486 0.085 -6.897 1.00 1.90 C ATOM 0 H LEU A 21 -9.338 2.336 -7.498 1.00 0.95 H new ATOM 0 HA LEU A 21 -9.836 -0.466 -8.300 1.00 0.79 H new ATOM 0 HB2 LEU A 21 -8.764 0.703 -5.720 1.00 0.94 H new ATOM 0 HB3 LEU A 21 -9.590 -0.842 -5.744 1.00 0.94 H new ATOM 0 HG LEU A 21 -7.383 -1.373 -5.644 1.00 0.99 H new ATOM 0 HD11 LEU A 21 -6.755 -2.452 -7.784 1.00 1.72 H new ATOM 0 HD12 LEU A 21 -8.453 -2.733 -7.331 1.00 1.72 H new ATOM 0 HD13 LEU A 21 -8.054 -1.546 -8.595 1.00 1.72 H new ATOM 0 HD21 LEU A 21 -5.566 -0.476 -7.062 1.00 1.90 H new ATOM 0 HD22 LEU A 21 -6.728 0.657 -7.793 1.00 1.90 H new ATOM 0 HD23 LEU A 21 -6.349 0.766 -6.057 1.00 1.90 H new ATOM 334 N GLU A 22 -11.981 -0.468 -6.643 1.00 0.57 N ATOM 335 CA GLU A 22 -13.260 -0.382 -5.954 1.00 0.49 C ATOM 336 C GLU A 22 -13.037 -0.566 -4.438 1.00 0.94 C ATOM 337 O GLU A 22 -12.123 -1.277 -4.012 1.00 1.15 O ATOM 338 CB GLU A 22 -14.187 -1.434 -6.577 1.00 0.57 C ATOM 339 CG GLU A 22 -15.653 -1.286 -6.173 1.00 1.57 C ATOM 340 CD GLU A 22 -16.268 0.036 -6.639 1.00 3.14 C ATOM 341 OE1 GLU A 22 -15.798 0.582 -7.662 1.00 3.65 O ATOM 342 OE2 GLU A 22 -17.189 0.519 -5.952 1.00 4.69 O ATOM 0 H GLU A 22 -11.676 -1.429 -6.800 1.00 0.57 H new ATOM 0 HA GLU A 22 -13.733 0.593 -6.070 1.00 0.49 H new ATOM 0 HB2 GLU A 22 -14.112 -1.373 -7.663 1.00 0.57 H new ATOM 0 HB3 GLU A 22 -13.840 -2.426 -6.289 1.00 0.57 H new ATOM 0 HG2 GLU A 22 -16.225 -2.114 -6.591 1.00 1.57 H new ATOM 0 HG3 GLU A 22 -15.735 -1.357 -5.088 1.00 1.57 H new ATOM 349 N GLY A 23 -13.842 0.097 -3.606 1.00 0.59 N ATOM 350 CA GLY A 23 -13.830 -0.037 -2.143 1.00 0.62 C ATOM 351 C GLY A 23 -15.230 -0.248 -1.567 1.00 0.81 C ATOM 352 O GLY A 23 -16.205 -0.224 -2.317 1.00 0.88 O ATOM 0 H GLY A 23 -14.541 0.761 -3.938 1.00 0.59 H new ATOM 0 HA2 GLY A 23 -13.194 -0.877 -1.863 1.00 0.62 H new ATOM 0 HA3 GLY A 23 -13.389 0.857 -1.702 1.00 0.62 H new ATOM 356 N PRO A 24 -15.375 -0.378 -0.235 1.00 0.86 N ATOM 357 CA PRO A 24 -16.672 -0.426 0.448 1.00 1.25 C ATOM 358 C PRO A 24 -17.327 0.979 0.522 1.00 1.74 C ATOM 359 O PRO A 24 -17.880 1.373 1.546 1.00 2.40 O ATOM 360 CB PRO A 24 -16.343 -1.011 1.828 1.00 1.35 C ATOM 361 CG PRO A 24 -14.983 -0.376 2.103 1.00 1.15 C ATOM 362 CD PRO A 24 -14.296 -0.469 0.742 1.00 0.82 C ATOM 0 HA PRO A 24 -17.410 -1.033 -0.077 1.00 1.25 H new ATOM 0 HB2 PRO A 24 -17.084 -0.737 2.578 1.00 1.35 H new ATOM 0 HB3 PRO A 24 -16.293 -2.100 1.812 1.00 1.35 H new ATOM 0 HG2 PRO A 24 -15.077 0.656 2.441 1.00 1.15 H new ATOM 0 HG3 PRO A 24 -14.432 -0.914 2.874 1.00 1.15 H new ATOM 0 HD2 PRO A 24 -13.574 0.337 0.609 1.00 0.82 H new ATOM 0 HD3 PRO A 24 -13.749 -1.406 0.640 1.00 0.82 H new ATOM 370 N GLN A 25 -17.202 1.773 -0.548 1.00 1.42 N ATOM 371 CA GLN A 25 -17.617 3.177 -0.630 1.00 1.89 C ATOM 372 C GLN A 25 -17.710 3.709 -2.076 1.00 1.89 C ATOM 373 O GLN A 25 -17.857 4.916 -2.252 1.00 2.45 O ATOM 374 CB GLN A 25 -16.704 4.060 0.252 1.00 2.25 C ATOM 375 CG GLN A 25 -15.215 4.057 -0.157 1.00 4.10 C ATOM 376 CD GLN A 25 -14.360 4.994 0.701 1.00 4.95 C ATOM 377 OE1 GLN A 25 -13.520 5.737 0.221 1.00 5.97 O ATOM 378 NE2 GLN A 25 -14.517 5.005 2.010 1.00 5.20 N ATOM 0 H GLN A 25 -16.790 1.438 -1.419 1.00 1.42 H new ATOM 0 HA GLN A 25 -18.634 3.229 -0.242 1.00 1.89 H new ATOM 0 HB2 GLN A 25 -17.073 5.085 0.222 1.00 2.25 H new ATOM 0 HB3 GLN A 25 -16.784 3.723 1.286 1.00 2.25 H new ATOM 0 HG2 GLN A 25 -14.824 3.043 -0.079 1.00 4.10 H new ATOM 0 HG3 GLN A 25 -15.130 4.352 -1.203 1.00 4.10 H new ATOM 0 HE21 GLN A 25 -15.210 4.397 2.446 1.00 5.20 H new ATOM 0 HE22 GLN A 25 -13.945 5.622 2.587 1.00 5.20 H new ATOM 387 N GLY A 26 -17.618 2.848 -3.101 1.00 1.18 N ATOM 388 CA GLY A 26 -17.523 3.252 -4.510 1.00 1.13 C ATOM 389 C GLY A 26 -16.096 3.116 -5.072 1.00 1.15 C ATOM 390 O GLY A 26 -15.185 2.686 -4.353 1.00 1.24 O ATOM 0 H GLY A 26 -17.607 1.836 -2.971 1.00 1.18 H new ATOM 0 HA2 GLY A 26 -18.203 2.643 -5.105 1.00 1.13 H new ATOM 0 HA3 GLY A 26 -17.852 4.286 -4.610 1.00 1.13 H new ATOM 394 N PRO A 27 -15.875 3.502 -6.345 1.00 1.02 N ATOM 395 CA PRO A 27 -14.558 3.502 -6.971 1.00 1.12 C ATOM 396 C PRO A 27 -13.650 4.590 -6.391 1.00 1.29 C ATOM 397 O PRO A 27 -13.990 5.773 -6.391 1.00 1.41 O ATOM 398 CB PRO A 27 -14.796 3.689 -8.470 1.00 1.25 C ATOM 399 CG PRO A 27 -16.154 4.387 -8.535 1.00 1.16 C ATOM 400 CD PRO A 27 -16.900 3.833 -7.322 1.00 1.04 C ATOM 0 HA PRO A 27 -14.034 2.566 -6.777 1.00 1.12 H new ATOM 0 HB2 PRO A 27 -14.013 4.293 -8.928 1.00 1.25 H new ATOM 0 HB3 PRO A 27 -14.811 2.734 -8.996 1.00 1.25 H new ATOM 0 HG2 PRO A 27 -16.051 5.471 -8.482 1.00 1.16 H new ATOM 0 HG3 PRO A 27 -16.677 4.162 -9.465 1.00 1.16 H new ATOM 0 HD2 PRO A 27 -17.598 4.569 -6.923 1.00 1.04 H new ATOM 0 HD3 PRO A 27 -17.484 2.952 -7.590 1.00 1.04 H new ATOM 408 N VAL A 28 -12.464 4.183 -5.946 1.00 0.80 N ATOM 409 CA VAL A 28 -11.459 5.013 -5.263 1.00 0.87 C ATOM 410 C VAL A 28 -10.241 5.188 -6.172 1.00 1.06 C ATOM 411 O VAL A 28 -9.736 4.215 -6.741 1.00 1.10 O ATOM 412 CB VAL A 28 -11.042 4.388 -3.906 1.00 0.98 C ATOM 413 CG1 VAL A 28 -9.926 5.187 -3.205 1.00 1.37 C ATOM 414 CG2 VAL A 28 -12.241 4.309 -2.945 1.00 1.55 C ATOM 0 H VAL A 28 -12.156 3.217 -6.055 1.00 0.80 H new ATOM 0 HA VAL A 28 -11.896 5.989 -5.053 1.00 0.87 H new ATOM 0 HB VAL A 28 -10.671 3.390 -4.141 1.00 0.98 H new ATOM 0 HG11 VAL A 28 -9.673 4.706 -2.260 1.00 1.37 H new ATOM 0 HG12 VAL A 28 -9.044 5.218 -3.845 1.00 1.37 H new ATOM 0 HG13 VAL A 28 -10.271 6.203 -3.014 1.00 1.37 H new ATOM 0 HG21 VAL A 28 -11.922 3.867 -2.001 1.00 1.55 H new ATOM 0 HG22 VAL A 28 -12.629 5.311 -2.764 1.00 1.55 H new ATOM 0 HG23 VAL A 28 -13.023 3.692 -3.388 1.00 1.55 H new ATOM 424 N ARG A 29 -9.771 6.436 -6.293 1.00 0.83 N ATOM 425 CA ARG A 29 -8.570 6.829 -7.043 1.00 0.80 C ATOM 426 C ARG A 29 -7.569 7.573 -6.143 1.00 1.25 C ATOM 427 O ARG A 29 -7.897 7.937 -5.016 1.00 1.51 O ATOM 428 CB ARG A 29 -8.987 7.702 -8.243 1.00 0.79 C ATOM 429 CG ARG A 29 -9.759 6.914 -9.323 1.00 1.04 C ATOM 430 CD ARG A 29 -11.035 7.616 -9.784 1.00 1.64 C ATOM 431 NE ARG A 29 -12.073 7.589 -8.737 1.00 3.46 N ATOM 432 CZ ARG A 29 -12.740 8.625 -8.239 1.00 4.77 C ATOM 433 NH1 ARG A 29 -12.539 9.863 -8.646 1.00 4.85 N ATOM 434 NH2 ARG A 29 -13.642 8.418 -7.309 1.00 6.71 N ATOM 0 H ARG A 29 -10.235 7.231 -5.854 1.00 0.83 H new ATOM 0 HA ARG A 29 -8.069 5.932 -7.406 1.00 0.80 H new ATOM 0 HB2 ARG A 29 -9.608 8.525 -7.888 1.00 0.79 H new ATOM 0 HB3 ARG A 29 -8.097 8.144 -8.690 1.00 0.79 H new ATOM 0 HG2 ARG A 29 -9.108 6.756 -10.183 1.00 1.04 H new ATOM 0 HG3 ARG A 29 -10.015 5.929 -8.932 1.00 1.04 H new ATOM 0 HD2 ARG A 29 -10.809 8.649 -10.047 1.00 1.64 H new ATOM 0 HD3 ARG A 29 -11.413 7.133 -10.685 1.00 1.64 H new ATOM 0 HE ARG A 29 -12.305 6.673 -8.352 1.00 3.46 H new ATOM 0 HH11 ARG A 29 -11.848 10.056 -9.371 1.00 4.85 H new ATOM 0 HH12 ARG A 29 -13.074 10.628 -8.235 1.00 4.85 H new ATOM 0 HH21 ARG A 29 -13.824 7.471 -6.977 1.00 6.71 H new ATOM 0 HH22 ARG A 29 -14.161 9.204 -6.918 1.00 6.71 H new ATOM 448 N LEU A 30 -6.358 7.834 -6.646 1.00 0.86 N ATOM 449 CA LEU A 30 -5.340 8.678 -5.997 1.00 1.01 C ATOM 450 C LEU A 30 -5.645 10.165 -6.217 1.00 1.27 C ATOM 451 O LEU A 30 -5.560 10.968 -5.289 1.00 1.53 O ATOM 452 CB LEU A 30 -3.959 8.307 -6.584 1.00 1.19 C ATOM 453 CG LEU A 30 -2.819 8.244 -5.561 1.00 1.25 C ATOM 454 CD1 LEU A 30 -1.582 7.644 -6.236 1.00 1.93 C ATOM 455 CD2 LEU A 30 -2.492 9.604 -4.937 1.00 2.64 C ATOM 0 H LEU A 30 -6.047 7.455 -7.540 1.00 0.86 H new ATOM 0 HA LEU A 30 -5.344 8.503 -4.921 1.00 1.01 H new ATOM 0 HB2 LEU A 30 -4.039 7.339 -7.078 1.00 1.19 H new ATOM 0 HB3 LEU A 30 -3.699 9.036 -7.352 1.00 1.19 H new ATOM 0 HG LEU A 30 -3.146 7.611 -4.736 1.00 1.25 H new ATOM 0 HD11 LEU A 30 -0.764 7.594 -5.518 1.00 1.93 H new ATOM 0 HD12 LEU A 30 -1.813 6.640 -6.593 1.00 1.93 H new ATOM 0 HD13 LEU A 30 -1.288 8.270 -7.078 1.00 1.93 H new ATOM 0 HD21 LEU A 30 -1.677 9.490 -4.222 1.00 2.64 H new ATOM 0 HD22 LEU A 30 -2.193 10.301 -5.720 1.00 2.64 H new ATOM 0 HD23 LEU A 30 -3.373 9.990 -4.424 1.00 2.64 H new ATOM 467 N SER A 31 -6.094 10.511 -7.423 1.00 0.89 N ATOM 468 CA SER A 31 -6.479 11.871 -7.840 1.00 1.04 C ATOM 469 C SER A 31 -7.554 12.546 -6.967 1.00 1.37 C ATOM 470 O SER A 31 -7.718 13.764 -7.037 1.00 1.79 O ATOM 471 CB SER A 31 -6.942 11.846 -9.308 1.00 1.10 C ATOM 472 OG SER A 31 -7.729 10.705 -9.631 1.00 1.34 O ATOM 0 H SER A 31 -6.206 9.827 -8.172 1.00 0.89 H new ATOM 0 HA SER A 31 -5.583 12.479 -7.714 1.00 1.04 H new ATOM 0 HB2 SER A 31 -7.519 12.747 -9.515 1.00 1.10 H new ATOM 0 HB3 SER A 31 -6.067 11.871 -9.958 1.00 1.10 H new ATOM 0 HG SER A 31 -7.332 10.240 -10.397 1.00 1.34 H new ATOM 478 N GLN A 32 -8.277 11.806 -6.117 1.00 1.17 N ATOM 479 CA GLN A 32 -9.293 12.366 -5.220 1.00 1.48 C ATOM 480 C GLN A 32 -8.729 12.891 -3.883 1.00 1.85 C ATOM 481 O GLN A 32 -9.473 13.495 -3.116 1.00 2.07 O ATOM 482 CB GLN A 32 -10.429 11.339 -5.048 1.00 1.70 C ATOM 483 CG GLN A 32 -10.128 10.245 -4.012 1.00 1.39 C ATOM 484 CD GLN A 32 -11.078 9.052 -4.128 1.00 2.31 C ATOM 485 OE1 GLN A 32 -11.387 8.559 -5.206 1.00 3.06 O ATOM 486 NE2 GLN A 32 -11.619 8.563 -3.034 1.00 3.16 N ATOM 0 H GLN A 32 -8.172 10.795 -6.033 1.00 1.17 H new ATOM 0 HA GLN A 32 -9.700 13.264 -5.685 1.00 1.48 H new ATOM 0 HB2 GLN A 32 -11.338 11.863 -4.754 1.00 1.70 H new ATOM 0 HB3 GLN A 32 -10.629 10.869 -6.011 1.00 1.70 H new ATOM 0 HG2 GLN A 32 -9.101 9.902 -4.139 1.00 1.39 H new ATOM 0 HG3 GLN A 32 -10.201 10.668 -3.010 1.00 1.39 H new ATOM 0 HE21 GLN A 32 -11.377 8.957 -2.125 1.00 3.16 H new ATOM 0 HE22 GLN A 32 -12.281 7.789 -3.094 1.00 3.16 H new ATOM 495 N PHE A 33 -7.429 12.697 -3.608 1.00 1.59 N ATOM 496 CA PHE A 33 -6.744 13.129 -2.379 1.00 1.93 C ATOM 497 C PHE A 33 -5.217 13.296 -2.566 1.00 2.29 C ATOM 498 O PHE A 33 -4.432 13.004 -1.672 1.00 2.66 O ATOM 499 CB PHE A 33 -7.152 12.222 -1.193 1.00 2.70 C ATOM 500 CG PHE A 33 -7.207 10.716 -1.421 1.00 1.69 C ATOM 501 CD1 PHE A 33 -6.125 10.017 -1.991 1.00 2.09 C ATOM 502 CD2 PHE A 33 -8.352 9.998 -1.021 1.00 2.44 C ATOM 503 CE1 PHE A 33 -6.198 8.624 -2.173 1.00 2.65 C ATOM 504 CE2 PHE A 33 -8.432 8.606 -1.220 1.00 1.91 C ATOM 505 CZ PHE A 33 -7.355 7.920 -1.803 1.00 1.89 C ATOM 0 H PHE A 33 -6.805 12.219 -4.257 1.00 1.59 H new ATOM 0 HA PHE A 33 -7.080 14.136 -2.132 1.00 1.93 H new ATOM 0 HB2 PHE A 33 -6.455 12.409 -0.376 1.00 2.70 H new ATOM 0 HB3 PHE A 33 -8.136 12.543 -0.852 1.00 2.70 H new ATOM 0 HD1 PHE A 33 -5.236 10.553 -2.289 1.00 2.09 H new ATOM 0 HD2 PHE A 33 -9.176 10.520 -0.557 1.00 2.44 H new ATOM 0 HE1 PHE A 33 -5.360 8.093 -2.600 1.00 2.65 H new ATOM 0 HE2 PHE A 33 -9.320 8.067 -0.925 1.00 1.91 H new ATOM 0 HZ PHE A 33 -7.416 6.854 -1.966 1.00 1.89 H new ATOM 515 N GLN A 34 -4.779 13.755 -3.743 1.00 1.04 N ATOM 516 CA GLN A 34 -3.371 13.685 -4.177 1.00 0.89 C ATOM 517 C GLN A 34 -2.398 14.667 -3.494 1.00 1.11 C ATOM 518 O GLN A 34 -1.192 14.455 -3.593 1.00 1.85 O ATOM 519 CB GLN A 34 -3.305 13.803 -5.710 1.00 1.02 C ATOM 520 CG GLN A 34 -3.604 15.218 -6.253 1.00 1.36 C ATOM 521 CD GLN A 34 -3.753 15.259 -7.777 1.00 1.51 C ATOM 522 OE1 GLN A 34 -3.925 14.251 -8.440 1.00 1.91 O ATOM 523 NE2 GLN A 34 -3.744 16.415 -8.410 1.00 2.34 N ATOM 0 H GLN A 34 -5.394 14.190 -4.431 1.00 1.04 H new ATOM 0 HA GLN A 34 -3.012 12.711 -3.845 1.00 0.89 H new ATOM 0 HB2 GLN A 34 -2.312 13.501 -6.043 1.00 1.02 H new ATOM 0 HB3 GLN A 34 -4.015 13.101 -6.147 1.00 1.02 H new ATOM 0 HG2 GLN A 34 -4.520 15.590 -5.794 1.00 1.36 H new ATOM 0 HG3 GLN A 34 -2.801 15.892 -5.954 1.00 1.36 H new ATOM 0 HE21 GLN A 34 -3.603 17.281 -7.889 1.00 2.34 H new ATOM 0 HE22 GLN A 34 -3.878 16.444 -9.421 1.00 2.34 H new ATOM 532 N ASP A 35 -2.882 15.699 -2.788 1.00 0.90 N ATOM 533 CA ASP A 35 -2.058 16.519 -1.876 1.00 1.12 C ATOM 534 C ASP A 35 -1.430 15.670 -0.752 1.00 1.21 C ATOM 535 O ASP A 35 -0.312 15.918 -0.297 1.00 1.73 O ATOM 536 CB ASP A 35 -2.952 17.634 -1.283 1.00 1.46 C ATOM 537 CG ASP A 35 -2.573 18.029 0.154 1.00 2.45 C ATOM 538 OD1 ASP A 35 -1.530 18.698 0.342 1.00 3.64 O ATOM 539 OD2 ASP A 35 -3.305 17.616 1.081 1.00 3.19 O ATOM 0 H ASP A 35 -3.858 15.993 -2.831 1.00 0.90 H new ATOM 0 HA ASP A 35 -1.232 16.956 -2.437 1.00 1.12 H new ATOM 0 HB2 ASP A 35 -2.890 18.515 -1.921 1.00 1.46 H new ATOM 0 HB3 ASP A 35 -3.990 17.302 -1.298 1.00 1.46 H new ATOM 544 N LYS A 36 -2.180 14.672 -0.285 1.00 0.84 N ATOM 545 CA LYS A 36 -1.840 13.884 0.889 1.00 0.89 C ATOM 546 C LYS A 36 -0.631 12.961 0.632 1.00 1.09 C ATOM 547 O LYS A 36 -0.192 12.728 -0.496 1.00 1.29 O ATOM 548 CB LYS A 36 -3.113 13.153 1.375 1.00 1.10 C ATOM 549 CG LYS A 36 -4.249 14.095 1.780 1.00 1.42 C ATOM 550 CD LYS A 36 -3.894 14.790 3.096 1.00 1.56 C ATOM 551 CE LYS A 36 -5.172 15.350 3.688 1.00 1.81 C ATOM 552 NZ LYS A 36 -4.986 15.774 5.099 1.00 2.56 N ATOM 0 H LYS A 36 -3.056 14.387 -0.723 1.00 0.84 H new ATOM 0 HA LYS A 36 -1.505 14.533 1.698 1.00 0.89 H new ATOM 0 HB2 LYS A 36 -3.466 12.492 0.583 1.00 1.10 H new ATOM 0 HB3 LYS A 36 -2.856 12.522 2.226 1.00 1.10 H new ATOM 0 HG2 LYS A 36 -4.416 14.837 0.999 1.00 1.42 H new ATOM 0 HG3 LYS A 36 -5.177 13.535 1.892 1.00 1.42 H new ATOM 0 HD2 LYS A 36 -3.431 14.085 3.787 1.00 1.56 H new ATOM 0 HD3 LYS A 36 -3.172 15.588 2.923 1.00 1.56 H new ATOM 0 HE2 LYS A 36 -5.506 16.201 3.094 1.00 1.81 H new ATOM 0 HE3 LYS A 36 -5.958 14.596 3.635 1.00 1.81 H new ATOM 0 HZ1 LYS A 36 -5.850 16.244 5.437 1.00 2.56 H new ATOM 0 HZ2 LYS A 36 -4.791 14.940 5.689 1.00 2.56 H new ATOM 0 HZ3 LYS A 36 -4.186 16.436 5.160 1.00 2.56 H new ATOM 566 N VAL A 37 -0.095 12.390 1.702 1.00 0.78 N ATOM 567 CA VAL A 37 1.053 11.485 1.699 1.00 0.80 C ATOM 568 C VAL A 37 0.452 10.080 1.671 1.00 1.13 C ATOM 569 O VAL A 37 0.116 9.493 2.696 1.00 1.47 O ATOM 570 CB VAL A 37 1.969 11.720 2.926 1.00 0.87 C ATOM 571 CG1 VAL A 37 3.221 10.833 2.861 1.00 1.02 C ATOM 572 CG2 VAL A 37 2.401 13.196 3.050 1.00 1.18 C ATOM 0 H VAL A 37 -0.463 12.550 2.640 1.00 0.78 H new ATOM 0 HA VAL A 37 1.703 11.649 0.840 1.00 0.80 H new ATOM 0 HB VAL A 37 1.382 11.455 3.805 1.00 0.87 H new ATOM 0 HG11 VAL A 37 3.845 11.020 3.735 1.00 1.02 H new ATOM 0 HG12 VAL A 37 2.924 9.784 2.845 1.00 1.02 H new ATOM 0 HG13 VAL A 37 3.784 11.064 1.957 1.00 1.02 H new ATOM 0 HG21 VAL A 37 3.042 13.315 3.924 1.00 1.18 H new ATOM 0 HG22 VAL A 37 2.949 13.491 2.155 1.00 1.18 H new ATOM 0 HG23 VAL A 37 1.518 13.826 3.159 1.00 1.18 H new ATOM 582 N VAL A 38 0.239 9.592 0.449 1.00 0.85 N ATOM 583 CA VAL A 38 -0.615 8.433 0.165 1.00 1.02 C ATOM 584 C VAL A 38 0.259 7.183 0.086 1.00 1.13 C ATOM 585 O VAL A 38 1.204 7.106 -0.709 1.00 1.04 O ATOM 586 CB VAL A 38 -1.427 8.655 -1.133 1.00 1.27 C ATOM 587 CG1 VAL A 38 -2.192 7.399 -1.579 1.00 1.53 C ATOM 588 CG2 VAL A 38 -2.451 9.788 -0.924 1.00 1.55 C ATOM 0 H VAL A 38 0.661 9.996 -0.387 1.00 0.85 H new ATOM 0 HA VAL A 38 -1.340 8.301 0.968 1.00 1.02 H new ATOM 0 HB VAL A 38 -0.705 8.911 -1.908 1.00 1.27 H new ATOM 0 HG11 VAL A 38 -2.743 7.615 -2.494 1.00 1.53 H new ATOM 0 HG12 VAL A 38 -1.486 6.589 -1.763 1.00 1.53 H new ATOM 0 HG13 VAL A 38 -2.890 7.101 -0.797 1.00 1.53 H new ATOM 0 HG21 VAL A 38 -3.019 9.939 -1.842 1.00 1.55 H new ATOM 0 HG22 VAL A 38 -3.131 9.519 -0.116 1.00 1.55 H new ATOM 0 HG23 VAL A 38 -1.927 10.709 -0.666 1.00 1.55 H new ATOM 598 N LEU A 39 -0.055 6.222 0.961 1.00 1.03 N ATOM 599 CA LEU A 39 0.718 5.001 1.164 1.00 0.96 C ATOM 600 C LEU A 39 -0.064 3.793 0.628 1.00 1.21 C ATOM 601 O LEU A 39 -1.134 3.449 1.130 1.00 1.25 O ATOM 602 CB LEU A 39 1.062 4.886 2.667 1.00 1.21 C ATOM 603 CG LEU A 39 2.559 4.657 2.934 1.00 0.91 C ATOM 604 CD1 LEU A 39 2.826 4.744 4.442 1.00 1.47 C ATOM 605 CD2 LEU A 39 3.033 3.304 2.388 1.00 1.85 C ATOM 0 H LEU A 39 -0.877 6.277 1.562 1.00 1.03 H new ATOM 0 HA LEU A 39 1.655 5.029 0.608 1.00 0.96 H new ATOM 0 HB2 LEU A 39 0.745 5.796 3.176 1.00 1.21 H new ATOM 0 HB3 LEU A 39 0.493 4.064 3.101 1.00 1.21 H new ATOM 0 HG LEU A 39 3.121 5.432 2.414 1.00 0.91 H new ATOM 0 HD11 LEU A 39 3.887 4.582 4.634 1.00 1.47 H new ATOM 0 HD12 LEU A 39 2.538 5.730 4.806 1.00 1.47 H new ATOM 0 HD13 LEU A 39 2.243 3.982 4.959 1.00 1.47 H new ATOM 0 HD21 LEU A 39 4.096 3.180 2.596 1.00 1.85 H new ATOM 0 HD22 LEU A 39 2.473 2.502 2.868 1.00 1.85 H new ATOM 0 HD23 LEU A 39 2.868 3.268 1.311 1.00 1.85 H new ATOM 617 N LEU A 40 0.485 3.160 -0.412 1.00 0.70 N ATOM 618 CA LEU A 40 -0.077 1.973 -1.065 1.00 0.58 C ATOM 619 C LEU A 40 0.675 0.715 -0.645 1.00 1.00 C ATOM 620 O LEU A 40 1.902 0.691 -0.701 1.00 1.18 O ATOM 621 CB LEU A 40 0.009 2.138 -2.601 1.00 0.57 C ATOM 622 CG LEU A 40 -1.315 2.485 -3.294 1.00 0.90 C ATOM 623 CD1 LEU A 40 -2.343 1.357 -3.156 1.00 1.80 C ATOM 624 CD2 LEU A 40 -1.879 3.824 -2.811 1.00 2.30 C ATOM 0 H LEU A 40 1.360 3.468 -0.836 1.00 0.70 H new ATOM 0 HA LEU A 40 -1.119 1.871 -0.761 1.00 0.58 H new ATOM 0 HB2 LEU A 40 0.735 2.919 -2.827 1.00 0.57 H new ATOM 0 HB3 LEU A 40 0.393 1.212 -3.029 1.00 0.57 H new ATOM 0 HG LEU A 40 -1.097 2.594 -4.356 1.00 0.90 H new ATOM 0 HD11 LEU A 40 -3.266 1.642 -3.660 1.00 1.80 H new ATOM 0 HD12 LEU A 40 -1.948 0.448 -3.609 1.00 1.80 H new ATOM 0 HD13 LEU A 40 -2.547 1.178 -2.100 1.00 1.80 H new ATOM 0 HD21 LEU A 40 -2.817 4.031 -3.327 1.00 2.30 H new ATOM 0 HD22 LEU A 40 -2.059 3.777 -1.737 1.00 2.30 H new ATOM 0 HD23 LEU A 40 -1.164 4.618 -3.025 1.00 2.30 H new ATOM 636 N PHE A 41 -0.064 -0.341 -0.304 1.00 0.66 N ATOM 637 CA PHE A 41 0.482 -1.671 -0.040 1.00 0.67 C ATOM 638 C PHE A 41 -0.393 -2.744 -0.700 1.00 1.43 C ATOM 639 O PHE A 41 -1.628 -2.715 -0.607 1.00 1.75 O ATOM 640 CB PHE A 41 0.615 -1.867 1.480 1.00 0.72 C ATOM 641 CG PHE A 41 1.101 -3.229 1.954 1.00 0.84 C ATOM 642 CD1 PHE A 41 2.185 -3.876 1.328 1.00 1.77 C ATOM 643 CD2 PHE A 41 0.486 -3.838 3.063 1.00 2.15 C ATOM 644 CE1 PHE A 41 2.629 -5.132 1.783 1.00 1.76 C ATOM 645 CE2 PHE A 41 0.925 -5.094 3.521 1.00 2.03 C ATOM 646 CZ PHE A 41 1.992 -5.744 2.878 1.00 1.05 C ATOM 0 H PHE A 41 -1.078 -0.294 -0.202 1.00 0.66 H new ATOM 0 HA PHE A 41 1.476 -1.767 -0.477 1.00 0.67 H new ATOM 0 HB2 PHE A 41 1.300 -1.110 1.862 1.00 0.72 H new ATOM 0 HB3 PHE A 41 -0.357 -1.676 1.934 1.00 0.72 H new ATOM 0 HD1 PHE A 41 2.680 -3.404 0.492 1.00 1.77 H new ATOM 0 HD2 PHE A 41 -0.328 -3.338 3.566 1.00 2.15 H new ATOM 0 HE1 PHE A 41 3.456 -5.624 1.293 1.00 1.76 H new ATOM 0 HE2 PHE A 41 0.441 -5.559 4.367 1.00 2.03 H new ATOM 0 HZ PHE A 41 2.323 -6.712 3.224 1.00 1.05 H new ATOM 656 N PHE A 42 0.259 -3.684 -1.390 1.00 0.74 N ATOM 657 CA PHE A 42 -0.392 -4.732 -2.174 1.00 0.76 C ATOM 658 C PHE A 42 -0.264 -6.084 -1.458 1.00 1.88 C ATOM 659 O PHE A 42 0.836 -6.614 -1.282 1.00 2.25 O ATOM 660 CB PHE A 42 0.185 -4.725 -3.594 1.00 0.79 C ATOM 661 CG PHE A 42 -0.272 -3.530 -4.416 1.00 0.91 C ATOM 662 CD1 PHE A 42 0.359 -2.279 -4.280 1.00 2.13 C ATOM 663 CD2 PHE A 42 -1.345 -3.661 -5.316 1.00 1.83 C ATOM 664 CE1 PHE A 42 -0.042 -1.189 -5.076 1.00 2.18 C ATOM 665 CE2 PHE A 42 -1.742 -2.576 -6.120 1.00 1.73 C ATOM 666 CZ PHE A 42 -1.086 -1.338 -6.004 1.00 1.13 C ATOM 0 H PHE A 42 1.277 -3.737 -1.418 1.00 0.74 H new ATOM 0 HA PHE A 42 -1.462 -4.544 -2.264 1.00 0.76 H new ATOM 0 HB2 PHE A 42 1.274 -4.725 -3.538 1.00 0.79 H new ATOM 0 HB3 PHE A 42 -0.108 -5.643 -4.104 1.00 0.79 H new ATOM 0 HD1 PHE A 42 1.155 -2.155 -3.561 1.00 2.13 H new ATOM 0 HD2 PHE A 42 -1.869 -4.602 -5.391 1.00 1.83 H new ATOM 0 HE1 PHE A 42 0.455 -0.235 -4.973 1.00 2.18 H new ATOM 0 HE2 PHE A 42 -2.551 -2.695 -6.826 1.00 1.73 H new ATOM 0 HZ PHE A 42 -1.383 -0.506 -6.625 1.00 1.13 H new ATOM 676 N GLY A 43 -1.418 -6.609 -1.021 1.00 0.82 N ATOM 677 CA GLY A 43 -1.570 -7.827 -0.224 1.00 0.96 C ATOM 678 C GLY A 43 -2.806 -8.663 -0.572 1.00 1.03 C ATOM 679 O GLY A 43 -3.562 -8.371 -1.493 1.00 0.93 O ATOM 0 H GLY A 43 -2.315 -6.170 -1.227 1.00 0.82 H new ATOM 0 HA2 GLY A 43 -0.681 -8.444 -0.354 1.00 0.96 H new ATOM 0 HA3 GLY A 43 -1.617 -7.553 0.830 1.00 0.96 H new ATOM 683 N PHE A 44 -2.999 -9.738 0.187 1.00 1.16 N ATOM 684 CA PHE A 44 -4.127 -10.668 0.089 1.00 1.07 C ATOM 685 C PHE A 44 -4.583 -11.016 1.514 1.00 1.79 C ATOM 686 O PHE A 44 -3.716 -11.231 2.367 1.00 2.53 O ATOM 687 CB PHE A 44 -3.616 -11.913 -0.670 1.00 1.13 C ATOM 688 CG PHE A 44 -4.591 -13.030 -1.021 1.00 1.47 C ATOM 689 CD1 PHE A 44 -5.987 -12.851 -1.008 1.00 3.13 C ATOM 690 CD2 PHE A 44 -4.062 -14.263 -1.448 1.00 2.28 C ATOM 691 CE1 PHE A 44 -6.844 -13.898 -1.390 1.00 4.10 C ATOM 692 CE2 PHE A 44 -4.918 -15.310 -1.838 1.00 3.10 C ATOM 693 CZ PHE A 44 -6.309 -15.126 -1.808 1.00 3.78 C ATOM 0 H PHE A 44 -2.343 -9.999 0.923 1.00 1.16 H new ATOM 0 HA PHE A 44 -4.979 -10.247 -0.445 1.00 1.07 H new ATOM 0 HB2 PHE A 44 -3.167 -11.567 -1.601 1.00 1.13 H new ATOM 0 HB3 PHE A 44 -2.816 -12.353 -0.075 1.00 1.13 H new ATOM 0 HD1 PHE A 44 -6.403 -11.902 -0.702 1.00 3.13 H new ATOM 0 HD2 PHE A 44 -2.992 -14.406 -1.476 1.00 2.28 H new ATOM 0 HE1 PHE A 44 -7.914 -13.757 -1.362 1.00 4.10 H new ATOM 0 HE2 PHE A 44 -4.505 -16.254 -2.160 1.00 3.10 H new ATOM 0 HZ PHE A 44 -6.967 -15.929 -2.106 1.00 3.78 H new ATOM 703 N THR A 45 -5.892 -11.107 1.789 1.00 1.02 N ATOM 704 CA THR A 45 -6.450 -11.465 3.116 1.00 1.22 C ATOM 705 C THR A 45 -6.156 -12.892 3.564 1.00 1.67 C ATOM 706 O THR A 45 -6.299 -13.194 4.746 1.00 2.43 O ATOM 707 CB THR A 45 -7.948 -11.184 3.206 1.00 1.28 C ATOM 708 OG1 THR A 45 -8.599 -11.788 2.119 1.00 1.83 O ATOM 709 CG2 THR A 45 -8.192 -9.673 3.236 1.00 1.05 C ATOM 0 H THR A 45 -6.612 -10.932 1.088 1.00 1.02 H new ATOM 0 HA THR A 45 -5.922 -10.811 3.810 1.00 1.22 H new ATOM 0 HB THR A 45 -8.353 -11.605 4.126 1.00 1.28 H new ATOM 0 HG1 THR A 45 -9.232 -11.153 1.723 1.00 1.83 H new ATOM 0 HG21 THR A 45 -9.263 -9.479 3.300 1.00 1.05 H new ATOM 0 HG22 THR A 45 -7.692 -9.241 4.103 1.00 1.05 H new ATOM 0 HG23 THR A 45 -7.795 -9.222 2.326 1.00 1.05 H new ATOM 717 N ARG A 46 -5.582 -13.733 2.692 1.00 1.49 N ATOM 718 CA ARG A 46 -4.754 -14.883 3.097 1.00 1.63 C ATOM 719 C ARG A 46 -3.782 -14.495 4.232 1.00 1.90 C ATOM 720 O ARG A 46 -3.562 -15.302 5.130 1.00 2.86 O ATOM 721 CB ARG A 46 -4.025 -15.397 1.839 1.00 2.35 C ATOM 722 CG ARG A 46 -2.962 -16.505 1.989 1.00 3.71 C ATOM 723 CD ARG A 46 -3.418 -17.815 2.655 1.00 3.84 C ATOM 724 NE ARG A 46 -3.200 -17.776 4.110 1.00 4.45 N ATOM 725 CZ ARG A 46 -2.118 -18.138 4.793 1.00 5.78 C ATOM 726 NH1 ARG A 46 -1.152 -18.857 4.262 1.00 6.46 N ATOM 727 NH2 ARG A 46 -1.997 -17.743 6.042 1.00 6.94 N ATOM 0 H ARG A 46 -5.678 -13.636 1.681 1.00 1.49 H new ATOM 0 HA ARG A 46 -5.373 -15.683 3.504 1.00 1.63 H new ATOM 0 HB2 ARG A 46 -4.783 -15.760 1.145 1.00 2.35 H new ATOM 0 HB3 ARG A 46 -3.544 -14.541 1.365 1.00 2.35 H new ATOM 0 HG2 ARG A 46 -2.577 -16.744 0.998 1.00 3.71 H new ATOM 0 HG3 ARG A 46 -2.130 -16.102 2.566 1.00 3.71 H new ATOM 0 HD2 ARG A 46 -4.475 -17.983 2.447 1.00 3.84 H new ATOM 0 HD3 ARG A 46 -2.871 -18.654 2.225 1.00 3.84 H new ATOM 0 HE ARG A 46 -3.980 -17.426 4.667 1.00 4.45 H new ATOM 0 HH11 ARG A 46 -1.216 -19.159 3.290 1.00 6.46 H new ATOM 0 HH12 ARG A 46 -0.339 -19.112 4.823 1.00 6.46 H new ATOM 0 HH21 ARG A 46 -2.725 -17.170 6.469 1.00 6.94 H new ATOM 0 HH22 ARG A 46 -1.175 -18.010 6.584 1.00 6.94 H new ATOM 741 N CYS A 47 -3.230 -13.275 4.197 1.00 1.74 N ATOM 742 CA CYS A 47 -2.425 -12.643 5.245 1.00 2.84 C ATOM 743 C CYS A 47 -1.411 -13.607 5.893 1.00 2.45 C ATOM 744 O CYS A 47 -1.557 -13.913 7.076 1.00 2.87 O ATOM 745 CB CYS A 47 -3.385 -11.974 6.246 1.00 4.20 C ATOM 746 SG CYS A 47 -3.895 -10.350 5.622 1.00 5.35 S ATOM 0 H CYS A 47 -3.342 -12.667 3.385 1.00 1.74 H new ATOM 0 HA CYS A 47 -1.788 -11.874 4.807 1.00 2.84 H new ATOM 0 HB2 CYS A 47 -4.260 -12.605 6.401 1.00 4.20 H new ATOM 0 HB3 CYS A 47 -2.896 -11.864 7.214 1.00 4.20 H new ATOM 0 HG CYS A 47 -4.635 -9.757 6.511 1.00 5.35 H new ATOM 752 N PRO A 48 -0.433 -14.126 5.122 1.00 2.02 N ATOM 753 CA PRO A 48 0.432 -15.202 5.582 1.00 1.86 C ATOM 754 C PRO A 48 1.383 -14.729 6.680 1.00 1.65 C ATOM 755 O PRO A 48 1.419 -15.355 7.733 1.00 1.93 O ATOM 756 CB PRO A 48 1.144 -15.722 4.331 1.00 2.48 C ATOM 757 CG PRO A 48 1.176 -14.515 3.399 1.00 2.72 C ATOM 758 CD PRO A 48 -0.119 -13.777 3.740 1.00 2.56 C ATOM 0 HA PRO A 48 -0.129 -16.009 6.054 1.00 1.86 H new ATOM 0 HB2 PRO A 48 2.149 -16.076 4.561 1.00 2.48 H new ATOM 0 HB3 PRO A 48 0.606 -16.558 3.884 1.00 2.48 H new ATOM 0 HG2 PRO A 48 2.053 -13.892 3.576 1.00 2.72 H new ATOM 0 HG3 PRO A 48 1.205 -14.815 2.352 1.00 2.72 H new ATOM 0 HD2 PRO A 48 0.006 -12.700 3.629 1.00 2.56 H new ATOM 0 HD3 PRO A 48 -0.925 -14.075 3.070 1.00 2.56 H new ATOM 766 N ASP A 49 2.104 -13.623 6.464 1.00 1.31 N ATOM 767 CA ASP A 49 3.231 -13.222 7.315 1.00 1.33 C ATOM 768 C ASP A 49 3.588 -11.764 7.009 1.00 1.32 C ATOM 769 O ASP A 49 3.402 -10.874 7.837 1.00 1.58 O ATOM 770 CB ASP A 49 4.414 -14.200 7.097 1.00 1.89 C ATOM 771 CG ASP A 49 4.550 -14.734 5.657 1.00 4.11 C ATOM 772 OD1 ASP A 49 4.526 -13.902 4.718 1.00 5.28 O ATOM 773 OD2 ASP A 49 4.605 -15.968 5.482 1.00 5.26 O ATOM 0 H ASP A 49 1.923 -12.980 5.693 1.00 1.31 H new ATOM 0 HA ASP A 49 2.969 -13.277 8.372 1.00 1.33 H new ATOM 0 HB2 ASP A 49 5.340 -13.696 7.372 1.00 1.89 H new ATOM 0 HB3 ASP A 49 4.298 -15.046 7.775 1.00 1.89 H new ATOM 778 N VAL A 50 3.942 -11.505 5.751 1.00 1.22 N ATOM 779 CA VAL A 50 4.177 -10.181 5.194 1.00 1.17 C ATOM 780 C VAL A 50 3.026 -9.199 5.462 1.00 1.12 C ATOM 781 O VAL A 50 3.292 -8.077 5.884 1.00 1.35 O ATOM 782 CB VAL A 50 4.512 -10.295 3.689 1.00 1.37 C ATOM 783 CG1 VAL A 50 3.431 -10.985 2.835 1.00 1.44 C ATOM 784 CG2 VAL A 50 4.777 -8.908 3.113 1.00 2.35 C ATOM 0 H VAL A 50 4.078 -12.248 5.065 1.00 1.22 H new ATOM 0 HA VAL A 50 5.037 -9.754 5.710 1.00 1.17 H new ATOM 0 HB VAL A 50 5.396 -10.931 3.640 1.00 1.37 H new ATOM 0 HG11 VAL A 50 3.755 -11.018 1.795 1.00 1.44 H new ATOM 0 HG12 VAL A 50 3.273 -12.000 3.198 1.00 1.44 H new ATOM 0 HG13 VAL A 50 2.498 -10.425 2.907 1.00 1.44 H new ATOM 0 HG21 VAL A 50 5.013 -8.993 2.052 1.00 2.35 H new ATOM 0 HG22 VAL A 50 3.891 -8.286 3.239 1.00 2.35 H new ATOM 0 HG23 VAL A 50 5.617 -8.451 3.636 1.00 2.35 H new ATOM 794 N CYS A 51 1.758 -9.593 5.276 1.00 1.07 N ATOM 795 CA CYS A 51 0.626 -8.696 5.530 1.00 1.08 C ATOM 796 C CYS A 51 0.541 -8.283 7.016 1.00 1.27 C ATOM 797 O CYS A 51 0.525 -7.072 7.253 1.00 1.45 O ATOM 798 CB CYS A 51 -0.703 -9.270 5.008 1.00 1.26 C ATOM 799 SG CYS A 51 -0.642 -9.738 3.252 1.00 1.63 S ATOM 0 H CYS A 51 1.493 -10.523 4.952 1.00 1.07 H new ATOM 0 HA CYS A 51 0.812 -7.786 4.960 1.00 1.08 H new ATOM 0 HB2 CYS A 51 -0.971 -10.144 5.601 1.00 1.26 H new ATOM 0 HB3 CYS A 51 -1.492 -8.532 5.153 1.00 1.26 H new ATOM 0 HG CYS A 51 -1.760 -10.311 2.917 1.00 1.63 H new ATOM 805 N PRO A 52 0.478 -9.214 7.998 1.00 1.05 N ATOM 806 CA PRO A 52 0.346 -8.832 9.394 1.00 1.14 C ATOM 807 C PRO A 52 1.542 -8.050 9.939 1.00 1.32 C ATOM 808 O PRO A 52 1.279 -7.070 10.637 1.00 1.17 O ATOM 809 CB PRO A 52 0.052 -10.115 10.186 1.00 1.43 C ATOM 810 CG PRO A 52 0.496 -11.243 9.264 1.00 1.43 C ATOM 811 CD PRO A 52 0.276 -10.654 7.872 1.00 1.25 C ATOM 0 HA PRO A 52 -0.476 -8.124 9.501 1.00 1.14 H new ATOM 0 HB2 PRO A 52 0.600 -10.134 11.128 1.00 1.43 H new ATOM 0 HB3 PRO A 52 -1.007 -10.196 10.431 1.00 1.43 H new ATOM 0 HG2 PRO A 52 1.539 -11.512 9.428 1.00 1.43 H new ATOM 0 HG3 PRO A 52 -0.094 -12.146 9.418 1.00 1.43 H new ATOM 0 HD2 PRO A 52 0.975 -11.083 7.154 1.00 1.25 H new ATOM 0 HD3 PRO A 52 -0.728 -10.875 7.511 1.00 1.25 H new ATOM 819 N THR A 53 2.814 -8.378 9.628 1.00 1.00 N ATOM 820 CA THR A 53 3.924 -7.563 10.164 1.00 0.99 C ATOM 821 C THR A 53 3.971 -6.188 9.515 1.00 1.10 C ATOM 822 O THR A 53 4.071 -5.190 10.225 1.00 1.11 O ATOM 823 CB THR A 53 5.305 -8.206 10.019 1.00 1.31 C ATOM 824 OG1 THR A 53 5.271 -9.598 10.147 1.00 1.84 O ATOM 825 CG2 THR A 53 6.236 -7.669 11.113 1.00 2.02 C ATOM 0 H THR A 53 3.090 -9.162 9.038 1.00 1.00 H new ATOM 0 HA THR A 53 3.705 -7.481 11.229 1.00 0.99 H new ATOM 0 HB THR A 53 5.660 -7.956 9.019 1.00 1.31 H new ATOM 0 HG1 THR A 53 6.177 -9.958 10.045 1.00 1.84 H new ATOM 0 HG21 THR A 53 7.220 -8.127 11.010 1.00 2.02 H new ATOM 0 HG22 THR A 53 6.327 -6.587 11.015 1.00 2.02 H new ATOM 0 HG23 THR A 53 5.824 -7.911 12.093 1.00 2.02 H new ATOM 833 N THR A 54 3.838 -6.121 8.185 1.00 0.79 N ATOM 834 CA THR A 54 3.880 -4.854 7.435 1.00 0.76 C ATOM 835 C THR A 54 2.733 -3.941 7.843 1.00 0.85 C ATOM 836 O THR A 54 2.976 -2.773 8.117 1.00 0.86 O ATOM 837 CB THR A 54 3.916 -5.092 5.922 1.00 0.79 C ATOM 838 OG1 THR A 54 5.034 -5.896 5.613 1.00 1.04 O ATOM 839 CG2 THR A 54 4.049 -3.795 5.130 1.00 0.93 C ATOM 0 H THR A 54 3.698 -6.942 7.596 1.00 0.79 H new ATOM 0 HA THR A 54 4.809 -4.345 7.692 1.00 0.76 H new ATOM 0 HB THR A 54 2.976 -5.571 5.648 1.00 0.79 H new ATOM 0 HG1 THR A 54 4.770 -6.840 5.618 1.00 1.04 H new ATOM 0 HG21 THR A 54 4.070 -4.020 4.064 1.00 0.93 H new ATOM 0 HG22 THR A 54 3.200 -3.147 5.348 1.00 0.93 H new ATOM 0 HG23 THR A 54 4.973 -3.290 5.412 1.00 0.93 H new ATOM 847 N LEU A 55 1.499 -4.443 7.978 1.00 0.62 N ATOM 848 CA LEU A 55 0.377 -3.619 8.460 1.00 0.58 C ATOM 849 C LEU A 55 0.558 -3.188 9.923 1.00 1.09 C ATOM 850 O LEU A 55 0.123 -2.093 10.278 1.00 1.31 O ATOM 851 CB LEU A 55 -0.960 -4.364 8.287 1.00 0.60 C ATOM 852 CG LEU A 55 -1.474 -4.485 6.842 1.00 0.75 C ATOM 853 CD1 LEU A 55 -2.628 -5.498 6.771 1.00 1.42 C ATOM 854 CD2 LEU A 55 -1.973 -3.135 6.302 1.00 1.18 C ATOM 0 H LEU A 55 1.250 -5.409 7.763 1.00 0.62 H new ATOM 0 HA LEU A 55 0.363 -2.715 7.851 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -0.852 -5.367 8.700 1.00 0.60 H new ATOM 0 HB3 LEU A 55 -1.718 -3.854 8.881 1.00 0.60 H new ATOM 0 HG LEU A 55 -0.637 -4.821 6.230 1.00 0.75 H new ATOM 0 HD11 LEU A 55 -2.983 -5.574 5.743 1.00 1.42 H new ATOM 0 HD12 LEU A 55 -2.277 -6.474 7.107 1.00 1.42 H new ATOM 0 HD13 LEU A 55 -3.444 -5.165 7.413 1.00 1.42 H new ATOM 0 HD21 LEU A 55 -2.328 -3.261 5.279 1.00 1.18 H new ATOM 0 HD22 LEU A 55 -2.789 -2.772 6.927 1.00 1.18 H new ATOM 0 HD23 LEU A 55 -1.156 -2.413 6.316 1.00 1.18 H new ATOM 866 N LEU A 56 1.221 -3.998 10.760 1.00 0.58 N ATOM 867 CA LEU A 56 1.569 -3.615 12.128 1.00 0.59 C ATOM 868 C LEU A 56 2.608 -2.497 12.125 1.00 1.05 C ATOM 869 O LEU A 56 2.443 -1.524 12.855 1.00 1.16 O ATOM 870 CB LEU A 56 2.036 -4.857 12.914 1.00 0.69 C ATOM 871 CG LEU A 56 2.171 -4.617 14.433 1.00 1.05 C ATOM 872 CD1 LEU A 56 1.828 -5.900 15.199 1.00 1.52 C ATOM 873 CD2 LEU A 56 3.584 -4.163 14.829 1.00 1.74 C ATOM 0 H LEU A 56 1.529 -4.936 10.504 1.00 0.58 H new ATOM 0 HA LEU A 56 0.688 -3.220 12.633 1.00 0.59 H new ATOM 0 HB2 LEU A 56 1.329 -5.669 12.745 1.00 0.69 H new ATOM 0 HB3 LEU A 56 2.998 -5.184 12.520 1.00 0.69 H new ATOM 0 HG LEU A 56 1.474 -3.820 14.692 1.00 1.05 H new ATOM 0 HD11 LEU A 56 1.926 -5.722 16.270 1.00 1.52 H new ATOM 0 HD12 LEU A 56 0.804 -6.196 14.973 1.00 1.52 H new ATOM 0 HD13 LEU A 56 2.510 -6.696 14.900 1.00 1.52 H new ATOM 0 HD21 LEU A 56 3.627 -4.008 15.907 1.00 1.74 H new ATOM 0 HD22 LEU A 56 4.306 -4.928 14.543 1.00 1.74 H new ATOM 0 HD23 LEU A 56 3.823 -3.230 14.318 1.00 1.74 H new ATOM 885 N ALA A 57 3.647 -2.599 11.295 1.00 0.67 N ATOM 886 CA ALA A 57 4.687 -1.588 11.166 1.00 0.74 C ATOM 887 C ALA A 57 4.160 -0.277 10.566 1.00 0.90 C ATOM 888 O ALA A 57 4.371 0.784 11.150 1.00 1.15 O ATOM 889 CB ALA A 57 5.814 -2.186 10.329 1.00 0.81 C ATOM 0 H ALA A 57 3.788 -3.403 10.684 1.00 0.67 H new ATOM 0 HA ALA A 57 5.058 -1.318 12.155 1.00 0.74 H new ATOM 0 HB1 ALA A 57 6.611 -1.451 10.214 1.00 0.81 H new ATOM 0 HB2 ALA A 57 6.207 -3.072 10.828 1.00 0.81 H new ATOM 0 HB3 ALA A 57 5.431 -2.462 9.347 1.00 0.81 H new ATOM 895 N LEU A 58 3.393 -0.356 9.469 1.00 0.71 N ATOM 896 CA LEU A 58 2.666 0.768 8.864 1.00 0.75 C ATOM 897 C LEU A 58 1.805 1.497 9.903 1.00 1.15 C ATOM 898 O LEU A 58 1.951 2.707 10.090 1.00 1.34 O ATOM 899 CB LEU A 58 1.777 0.257 7.709 1.00 0.76 C ATOM 900 CG LEU A 58 2.520 -0.135 6.416 1.00 0.95 C ATOM 901 CD1 LEU A 58 1.565 -0.894 5.480 1.00 1.19 C ATOM 902 CD2 LEU A 58 3.040 1.099 5.676 1.00 1.44 C ATOM 0 H LEU A 58 3.258 -1.231 8.963 1.00 0.71 H new ATOM 0 HA LEU A 58 3.398 1.476 8.475 1.00 0.75 H new ATOM 0 HB2 LEU A 58 1.218 -0.610 8.062 1.00 0.76 H new ATOM 0 HB3 LEU A 58 1.048 1.030 7.467 1.00 0.76 H new ATOM 0 HG LEU A 58 3.365 -0.763 6.697 1.00 0.95 H new ATOM 0 HD11 LEU A 58 2.093 -1.170 4.567 1.00 1.19 H new ATOM 0 HD12 LEU A 58 1.207 -1.795 5.978 1.00 1.19 H new ATOM 0 HD13 LEU A 58 0.717 -0.256 5.230 1.00 1.19 H new ATOM 0 HD21 LEU A 58 3.559 0.788 4.769 1.00 1.44 H new ATOM 0 HD22 LEU A 58 2.202 1.744 5.412 1.00 1.44 H new ATOM 0 HD23 LEU A 58 3.730 1.645 6.319 1.00 1.44 H new ATOM 914 N LYS A 59 0.942 0.777 10.630 1.00 0.66 N ATOM 915 CA LYS A 59 0.090 1.401 11.648 1.00 0.69 C ATOM 916 C LYS A 59 0.904 1.943 12.840 1.00 0.86 C ATOM 917 O LYS A 59 0.607 3.029 13.336 1.00 0.91 O ATOM 918 CB LYS A 59 -1.094 0.472 11.999 1.00 0.79 C ATOM 919 CG LYS A 59 -0.921 -0.603 13.084 1.00 0.87 C ATOM 920 CD LYS A 59 -0.891 -0.034 14.504 1.00 1.05 C ATOM 921 CE LYS A 59 -1.390 -1.014 15.573 1.00 0.87 C ATOM 922 NZ LYS A 59 -2.601 -0.481 16.240 1.00 1.37 N ATOM 0 H LYS A 59 0.816 -0.231 10.533 1.00 0.66 H new ATOM 0 HA LYS A 59 -0.367 2.302 11.239 1.00 0.69 H new ATOM 0 HB2 LYS A 59 -1.928 1.106 12.299 1.00 0.79 H new ATOM 0 HB3 LYS A 59 -1.393 -0.036 11.082 1.00 0.79 H new ATOM 0 HG2 LYS A 59 -1.736 -1.322 13.006 1.00 0.87 H new ATOM 0 HG3 LYS A 59 0.004 -1.149 12.900 1.00 0.87 H new ATOM 0 HD2 LYS A 59 0.130 0.264 14.745 1.00 1.05 H new ATOM 0 HD3 LYS A 59 -1.502 0.868 14.537 1.00 1.05 H new ATOM 0 HE2 LYS A 59 -1.614 -1.978 15.115 1.00 0.87 H new ATOM 0 HE3 LYS A 59 -0.607 -1.186 16.311 1.00 0.87 H new ATOM 0 HZ1 LYS A 59 -2.798 -1.036 17.097 1.00 1.37 H new ATOM 0 HZ2 LYS A 59 -2.445 0.514 16.500 1.00 1.37 H new ATOM 0 HZ3 LYS A 59 -3.411 -0.546 15.591 1.00 1.37 H new ATOM 936 N ARG A 60 1.970 1.253 13.265 1.00 0.69 N ATOM 937 CA ARG A 60 2.858 1.716 14.344 1.00 0.74 C ATOM 938 C ARG A 60 3.690 2.937 13.943 1.00 1.14 C ATOM 939 O ARG A 60 4.046 3.722 14.822 1.00 1.11 O ATOM 940 CB ARG A 60 3.793 0.590 14.814 1.00 0.79 C ATOM 941 CG ARG A 60 3.154 -0.414 15.788 1.00 1.04 C ATOM 942 CD ARG A 60 3.226 0.035 17.257 1.00 1.58 C ATOM 943 NE ARG A 60 2.333 1.164 17.567 1.00 2.94 N ATOM 944 CZ ARG A 60 2.552 2.189 18.381 1.00 4.10 C ATOM 945 NH1 ARG A 60 3.708 2.411 18.974 1.00 4.10 N ATOM 946 NH2 ARG A 60 1.555 3.007 18.611 1.00 5.63 N ATOM 0 H ARG A 60 2.244 0.354 12.870 1.00 0.69 H new ATOM 0 HA ARG A 60 2.205 2.013 15.165 1.00 0.74 H new ATOM 0 HB2 ARG A 60 4.154 0.048 13.940 1.00 0.79 H new ATOM 0 HB3 ARG A 60 4.664 1.036 15.294 1.00 0.79 H new ATOM 0 HG2 ARG A 60 2.110 -0.564 15.512 1.00 1.04 H new ATOM 0 HG3 ARG A 60 3.653 -1.378 15.685 1.00 1.04 H new ATOM 0 HD2 ARG A 60 2.971 -0.808 17.900 1.00 1.58 H new ATOM 0 HD3 ARG A 60 4.252 0.317 17.493 1.00 1.58 H new ATOM 0 HE ARG A 60 1.429 1.157 17.095 1.00 2.94 H new ATOM 0 HH11 ARG A 60 4.492 1.778 18.817 1.00 4.10 H new ATOM 0 HH12 ARG A 60 3.819 3.216 19.590 1.00 4.10 H new ATOM 0 HH21 ARG A 60 0.650 2.844 18.170 1.00 5.63 H new ATOM 0 HH22 ARG A 60 1.684 3.807 19.231 1.00 5.63 H new ATOM 960 N ALA A 61 3.984 3.123 12.655 1.00 0.72 N ATOM 961 CA ALA A 61 4.577 4.350 12.139 1.00 0.74 C ATOM 962 C ALA A 61 3.558 5.496 12.153 1.00 0.88 C ATOM 963 O ALA A 61 3.854 6.568 12.674 1.00 0.97 O ATOM 964 CB ALA A 61 5.158 4.087 10.743 1.00 0.79 C ATOM 0 H ALA A 61 3.814 2.418 11.938 1.00 0.72 H new ATOM 0 HA ALA A 61 5.396 4.665 12.785 1.00 0.74 H new ATOM 0 HB1 ALA A 61 5.602 5.004 10.355 1.00 0.79 H new ATOM 0 HB2 ALA A 61 5.922 3.312 10.807 1.00 0.79 H new ATOM 0 HB3 ALA A 61 4.363 3.758 10.074 1.00 0.79 H new ATOM 970 N TYR A 62 2.334 5.254 11.664 1.00 0.76 N ATOM 971 CA TYR A 62 1.251 6.251 11.685 1.00 0.87 C ATOM 972 C TYR A 62 0.919 6.751 13.106 1.00 1.13 C ATOM 973 O TYR A 62 0.747 7.950 13.319 1.00 1.30 O ATOM 974 CB TYR A 62 0.006 5.645 11.021 1.00 0.95 C ATOM 975 CG TYR A 62 -1.188 6.581 10.995 1.00 1.50 C ATOM 976 CD1 TYR A 62 -1.288 7.554 9.985 1.00 2.61 C ATOM 977 CD2 TYR A 62 -2.176 6.511 11.999 1.00 2.74 C ATOM 978 CE1 TYR A 62 -2.377 8.443 9.956 1.00 3.02 C ATOM 979 CE2 TYR A 62 -3.253 7.413 11.990 1.00 3.18 C ATOM 980 CZ TYR A 62 -3.366 8.375 10.963 1.00 2.68 C ATOM 981 OH TYR A 62 -4.415 9.239 10.957 1.00 3.33 O ATOM 0 H TYR A 62 2.066 4.364 11.243 1.00 0.76 H new ATOM 0 HA TYR A 62 1.591 7.126 11.130 1.00 0.87 H new ATOM 0 HB2 TYR A 62 0.254 5.358 9.999 1.00 0.95 H new ATOM 0 HB3 TYR A 62 -0.270 4.733 11.551 1.00 0.95 H new ATOM 0 HD1 TYR A 62 -0.523 7.619 9.226 1.00 2.61 H new ATOM 0 HD2 TYR A 62 -2.105 5.764 12.775 1.00 2.74 H new ATOM 0 HE1 TYR A 62 -2.457 9.176 9.167 1.00 3.02 H new ATOM 0 HE2 TYR A 62 -3.997 7.370 12.772 1.00 3.18 H new ATOM 0 HH TYR A 62 -4.999 9.050 11.721 1.00 3.33 H new ATOM 991 N GLU A 63 0.872 5.830 14.076 1.00 0.83 N ATOM 992 CA GLU A 63 0.565 6.099 15.488 1.00 1.00 C ATOM 993 C GLU A 63 1.681 6.890 16.201 1.00 1.17 C ATOM 994 O GLU A 63 1.452 7.467 17.260 1.00 1.46 O ATOM 995 CB GLU A 63 0.299 4.769 16.219 1.00 1.16 C ATOM 996 CG GLU A 63 -1.051 4.117 15.865 1.00 1.39 C ATOM 997 CD GLU A 63 -1.238 2.696 16.428 1.00 1.93 C ATOM 998 OE1 GLU A 63 -0.249 2.006 16.776 1.00 2.53 O ATOM 999 OE2 GLU A 63 -2.395 2.223 16.467 1.00 2.76 O ATOM 0 H GLU A 63 1.053 4.843 13.894 1.00 0.83 H new ATOM 0 HA GLU A 63 -0.327 6.725 15.516 1.00 1.00 H new ATOM 0 HB2 GLU A 63 1.101 4.070 15.983 1.00 1.16 H new ATOM 0 HB3 GLU A 63 0.335 4.944 17.294 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -1.856 4.751 16.237 1.00 1.39 H new ATOM 0 HG3 GLU A 63 -1.150 4.081 14.780 1.00 1.39 H new ATOM 1006 N LYS A 64 2.896 6.929 15.644 1.00 0.82 N ATOM 1007 CA LYS A 64 3.993 7.764 16.143 1.00 0.87 C ATOM 1008 C LYS A 64 3.854 9.234 15.698 1.00 1.13 C ATOM 1009 O LYS A 64 4.315 10.136 16.401 1.00 1.51 O ATOM 1010 CB LYS A 64 5.298 7.100 15.658 1.00 0.94 C ATOM 1011 CG LYS A 64 6.612 7.587 16.302 1.00 1.60 C ATOM 1012 CD LYS A 64 7.158 8.904 15.727 1.00 3.44 C ATOM 1013 CE LYS A 64 8.614 9.122 16.146 1.00 4.22 C ATOM 1014 NZ LYS A 64 9.179 10.350 15.532 1.00 5.95 N ATOM 0 H LYS A 64 3.148 6.376 14.825 1.00 0.82 H new ATOM 0 HA LYS A 64 3.984 7.818 17.232 1.00 0.87 H new ATOM 0 HB2 LYS A 64 5.215 6.026 15.827 1.00 0.94 H new ATOM 0 HB3 LYS A 64 5.373 7.248 14.581 1.00 0.94 H new ATOM 0 HG2 LYS A 64 6.452 7.712 17.373 1.00 1.60 H new ATOM 0 HG3 LYS A 64 7.369 6.812 16.182 1.00 1.60 H new ATOM 0 HD2 LYS A 64 7.087 8.887 14.639 1.00 3.44 H new ATOM 0 HD3 LYS A 64 6.547 9.738 16.074 1.00 3.44 H new ATOM 0 HE2 LYS A 64 8.674 9.196 17.232 1.00 4.22 H new ATOM 0 HE3 LYS A 64 9.211 8.259 15.852 1.00 4.22 H new ATOM 0 HZ1 LYS A 64 10.189 10.423 15.768 1.00 5.95 H new ATOM 0 HZ2 LYS A 64 9.067 10.305 14.499 1.00 5.95 H new ATOM 0 HZ3 LYS A 64 8.677 11.184 15.899 1.00 5.95 H new ATOM 1028 N LEU A 65 3.280 9.502 14.518 1.00 0.90 N ATOM 1029 CA LEU A 65 3.224 10.851 13.945 1.00 0.95 C ATOM 1030 C LEU A 65 2.434 11.812 14.866 1.00 1.34 C ATOM 1031 O LEU A 65 1.384 11.416 15.372 1.00 1.60 O ATOM 1032 CB LEU A 65 2.600 10.803 12.537 1.00 1.04 C ATOM 1033 CG LEU A 65 3.369 9.971 11.489 1.00 1.07 C ATOM 1034 CD1 LEU A 65 2.576 9.953 10.177 1.00 1.50 C ATOM 1035 CD2 LEU A 65 4.786 10.510 11.231 1.00 1.51 C ATOM 0 H LEU A 65 2.842 8.789 13.935 1.00 0.90 H new ATOM 0 HA LEU A 65 4.241 11.234 13.862 1.00 0.95 H new ATOM 0 HB2 LEU A 65 1.590 10.402 12.621 1.00 1.04 H new ATOM 0 HB3 LEU A 65 2.508 11.824 12.166 1.00 1.04 H new ATOM 0 HG LEU A 65 3.477 8.961 11.885 1.00 1.07 H new ATOM 0 HD11 LEU A 65 3.116 9.366 9.434 1.00 1.50 H new ATOM 0 HD12 LEU A 65 1.597 9.507 10.350 1.00 1.50 H new ATOM 0 HD13 LEU A 65 2.451 10.973 9.813 1.00 1.50 H new ATOM 0 HD21 LEU A 65 5.282 9.888 10.486 1.00 1.51 H new ATOM 0 HD22 LEU A 65 4.724 11.535 10.865 1.00 1.51 H new ATOM 0 HD23 LEU A 65 5.357 10.490 12.159 1.00 1.51 H new ATOM 1047 N PRO A 66 2.886 13.071 15.057 1.00 1.09 N ATOM 1048 CA PRO A 66 2.126 14.082 15.788 1.00 1.29 C ATOM 1049 C PRO A 66 0.809 14.370 15.069 1.00 1.38 C ATOM 1050 O PRO A 66 0.758 14.180 13.847 1.00 1.17 O ATOM 1051 CB PRO A 66 3.000 15.342 15.812 1.00 1.44 C ATOM 1052 CG PRO A 66 3.891 15.185 14.582 1.00 1.37 C ATOM 1053 CD PRO A 66 4.086 13.673 14.495 1.00 1.20 C ATOM 0 HA PRO A 66 1.885 13.746 16.797 1.00 1.29 H new ATOM 0 HB2 PRO A 66 2.398 16.249 15.757 1.00 1.44 H new ATOM 0 HB3 PRO A 66 3.588 15.405 16.728 1.00 1.44 H new ATOM 0 HG2 PRO A 66 3.416 15.584 13.685 1.00 1.37 H new ATOM 0 HG3 PRO A 66 4.840 15.709 14.700 1.00 1.37 H new ATOM 0 HD2 PRO A 66 4.230 13.359 13.461 1.00 1.20 H new ATOM 0 HD3 PRO A 66 4.972 13.363 15.049 1.00 1.20 H new ATOM 1061 N PRO A 67 -0.208 14.913 15.771 1.00 1.26 N ATOM 1062 CA PRO A 67 -1.525 15.206 15.210 1.00 1.37 C ATOM 1063 C PRO A 67 -1.478 16.050 13.933 1.00 1.47 C ATOM 1064 O PRO A 67 -2.389 15.944 13.123 1.00 1.43 O ATOM 1065 CB PRO A 67 -2.324 15.890 16.327 1.00 1.64 C ATOM 1066 CG PRO A 67 -1.267 16.360 17.321 1.00 1.67 C ATOM 1067 CD PRO A 67 -0.175 15.305 17.174 1.00 1.44 C ATOM 0 HA PRO A 67 -2.003 14.281 14.887 1.00 1.37 H new ATOM 0 HB2 PRO A 67 -2.907 16.727 15.942 1.00 1.64 H new ATOM 0 HB3 PRO A 67 -3.027 15.199 16.792 1.00 1.64 H new ATOM 0 HG2 PRO A 67 -0.901 17.358 17.081 1.00 1.67 H new ATOM 0 HG3 PRO A 67 -1.657 16.400 18.338 1.00 1.67 H new ATOM 0 HD2 PRO A 67 0.800 15.707 17.447 1.00 1.44 H new ATOM 0 HD3 PRO A 67 -0.362 14.452 17.826 1.00 1.44 H new ATOM 1075 N LYS A 68 -0.409 16.822 13.683 1.00 1.31 N ATOM 1076 CA LYS A 68 -0.315 17.607 12.455 1.00 1.35 C ATOM 1077 C LYS A 68 0.277 16.807 11.279 1.00 1.50 C ATOM 1078 O LYS A 68 -0.060 17.080 10.134 1.00 1.52 O ATOM 1079 CB LYS A 68 0.454 18.902 12.765 1.00 1.53 C ATOM 1080 CG LYS A 68 0.362 19.847 11.562 1.00 2.52 C ATOM 1081 CD LYS A 68 0.664 21.313 11.890 1.00 3.02 C ATOM 1082 CE LYS A 68 2.127 21.528 12.300 1.00 4.77 C ATOM 1083 NZ LYS A 68 2.422 22.964 12.532 1.00 6.28 N ATOM 0 H LYS A 68 0.390 16.915 14.310 1.00 1.31 H new ATOM 0 HA LYS A 68 -1.317 17.869 12.114 1.00 1.35 H new ATOM 0 HB2 LYS A 68 0.039 19.382 13.651 1.00 1.53 H new ATOM 0 HB3 LYS A 68 1.497 18.675 12.985 1.00 1.53 H new ATOM 0 HG2 LYS A 68 1.057 19.508 10.794 1.00 2.52 H new ATOM 0 HG3 LYS A 68 -0.640 19.780 11.138 1.00 2.52 H new ATOM 0 HD2 LYS A 68 0.438 21.931 11.021 1.00 3.02 H new ATOM 0 HD3 LYS A 68 0.010 21.645 12.697 1.00 3.02 H new ATOM 0 HE2 LYS A 68 2.339 20.961 13.206 1.00 4.77 H new ATOM 0 HE3 LYS A 68 2.785 21.142 11.521 1.00 4.77 H new ATOM 0 HZ1 LYS A 68 3.419 23.074 12.807 1.00 6.28 H new ATOM 0 HZ2 LYS A 68 2.243 23.501 11.659 1.00 6.28 H new ATOM 0 HZ3 LYS A 68 1.811 23.325 13.292 1.00 6.28 H new ATOM 1097 N ALA A 69 1.204 15.870 11.522 1.00 1.14 N ATOM 1098 CA ALA A 69 1.683 14.943 10.496 1.00 1.07 C ATOM 1099 C ALA A 69 0.773 13.730 10.229 1.00 1.16 C ATOM 1100 O ALA A 69 0.745 13.278 9.087 1.00 1.31 O ATOM 1101 CB ALA A 69 3.141 14.568 10.753 1.00 1.21 C ATOM 0 H ALA A 69 1.640 15.736 12.434 1.00 1.14 H new ATOM 0 HA ALA A 69 1.634 15.485 9.552 1.00 1.07 H new ATOM 0 HB1 ALA A 69 3.481 13.878 9.981 1.00 1.21 H new ATOM 0 HB2 ALA A 69 3.757 15.467 10.733 1.00 1.21 H new ATOM 0 HB3 ALA A 69 3.227 14.091 11.729 1.00 1.21 H new ATOM 1107 N GLN A 70 0.030 13.187 11.204 1.00 1.14 N ATOM 1108 CA GLN A 70 -0.877 12.066 10.896 1.00 1.26 C ATOM 1109 C GLN A 70 -1.984 12.493 9.928 1.00 1.30 C ATOM 1110 O GLN A 70 -2.233 11.761 8.974 1.00 1.51 O ATOM 1111 CB GLN A 70 -1.435 11.371 12.144 1.00 1.55 C ATOM 1112 CG GLN A 70 -1.990 12.328 13.199 1.00 1.66 C ATOM 1113 CD GLN A 70 -3.149 11.742 13.992 1.00 1.90 C ATOM 1114 OE1 GLN A 70 -4.208 12.333 14.102 1.00 2.49 O ATOM 1115 NE2 GLN A 70 -3.002 10.583 14.587 1.00 2.68 N ATOM 0 H GLN A 70 0.034 13.489 12.178 1.00 1.14 H new ATOM 0 HA GLN A 70 -0.270 11.312 10.394 1.00 1.26 H new ATOM 0 HB2 GLN A 70 -2.225 10.684 11.841 1.00 1.55 H new ATOM 0 HB3 GLN A 70 -0.646 10.769 12.595 1.00 1.55 H new ATOM 0 HG2 GLN A 70 -1.190 12.603 13.887 1.00 1.66 H new ATOM 0 HG3 GLN A 70 -2.320 13.245 12.710 1.00 1.66 H new ATOM 0 HE21 GLN A 70 -2.121 10.075 14.504 1.00 2.68 H new ATOM 0 HE22 GLN A 70 -3.769 10.189 15.132 1.00 2.68 H new ATOM 1124 N GLU A 71 -2.538 13.704 10.073 1.00 1.31 N ATOM 1125 CA GLU A 71 -3.399 14.410 9.151 1.00 1.40 C ATOM 1126 C GLU A 71 -3.111 14.163 7.665 1.00 1.43 C ATOM 1127 O GLU A 71 -4.007 13.821 6.889 1.00 1.88 O ATOM 1128 CB GLU A 71 -3.122 15.873 9.516 1.00 1.68 C ATOM 1129 CG GLU A 71 -4.317 16.746 9.273 1.00 1.85 C ATOM 1130 CD GLU A 71 -4.569 17.020 7.792 1.00 3.12 C ATOM 1131 OE1 GLU A 71 -3.585 17.139 7.023 1.00 3.91 O ATOM 1132 OE2 GLU A 71 -5.744 16.997 7.362 1.00 4.44 O ATOM 0 H GLU A 71 -2.372 14.252 10.917 1.00 1.31 H new ATOM 0 HA GLU A 71 -4.434 14.083 9.251 1.00 1.40 H new ATOM 0 HB2 GLU A 71 -2.833 15.937 10.565 1.00 1.68 H new ATOM 0 HB3 GLU A 71 -2.279 16.240 8.930 1.00 1.68 H new ATOM 0 HG2 GLU A 71 -5.199 16.272 9.704 1.00 1.85 H new ATOM 0 HG3 GLU A 71 -4.179 17.694 9.793 1.00 1.85 H new ATOM 1139 N ARG A 72 -1.846 14.317 7.263 1.00 0.98 N ATOM 1140 CA ARG A 72 -1.481 14.174 5.858 1.00 0.91 C ATOM 1141 C ARG A 72 -1.332 12.725 5.383 1.00 1.16 C ATOM 1142 O ARG A 72 -1.166 12.535 4.180 1.00 1.48 O ATOM 1143 CB ARG A 72 -0.382 15.105 5.401 1.00 1.10 C ATOM 1144 CG ARG A 72 0.952 15.077 6.139 1.00 1.49 C ATOM 1145 CD ARG A 72 1.589 16.440 5.881 1.00 1.49 C ATOM 1146 NE ARG A 72 2.193 16.582 4.529 1.00 2.57 N ATOM 1147 CZ ARG A 72 1.627 17.032 3.407 1.00 3.39 C ATOM 1148 NH1 ARG A 72 0.383 17.475 3.324 1.00 3.84 N ATOM 1149 NH2 ARG A 72 2.357 17.030 2.316 1.00 4.67 N ATOM 0 H ARG A 72 -1.068 14.538 7.885 1.00 0.98 H new ATOM 0 HA ARG A 72 -2.361 14.529 5.321 1.00 0.91 H new ATOM 0 HB2 ARG A 72 -0.184 14.892 4.350 1.00 1.10 H new ATOM 0 HB3 ARG A 72 -0.768 16.123 5.453 1.00 1.10 H new ATOM 0 HG2 ARG A 72 0.807 14.907 7.206 1.00 1.49 H new ATOM 0 HG3 ARG A 72 1.587 14.271 5.771 1.00 1.49 H new ATOM 0 HD2 ARG A 72 0.832 17.213 6.012 1.00 1.49 H new ATOM 0 HD3 ARG A 72 2.359 16.617 6.632 1.00 1.49 H new ATOM 0 HE ARG A 72 3.169 16.298 4.449 1.00 2.57 H new ATOM 0 HH11 ARG A 72 -0.210 17.487 4.154 1.00 3.84 H new ATOM 0 HH12 ARG A 72 0.017 17.804 2.431 1.00 3.84 H new ATOM 0 HH21 ARG A 72 3.319 16.693 2.347 1.00 4.67 H new ATOM 0 HH22 ARG A 72 1.962 17.366 1.438 1.00 4.67 H new ATOM 1163 N VAL A 73 -1.377 11.720 6.257 1.00 0.78 N ATOM 1164 CA VAL A 73 -1.119 10.311 5.908 1.00 0.79 C ATOM 1165 C VAL A 73 -2.424 9.514 5.864 1.00 1.07 C ATOM 1166 O VAL A 73 -3.240 9.581 6.779 1.00 1.36 O ATOM 1167 CB VAL A 73 -0.096 9.660 6.871 1.00 0.99 C ATOM 1168 CG1 VAL A 73 0.143 8.170 6.553 1.00 1.60 C ATOM 1169 CG2 VAL A 73 1.260 10.379 6.774 1.00 2.10 C ATOM 0 H VAL A 73 -1.596 11.857 7.244 1.00 0.78 H new ATOM 0 HA VAL A 73 -0.678 10.294 4.911 1.00 0.79 H new ATOM 0 HB VAL A 73 -0.518 9.748 7.872 1.00 0.99 H new ATOM 0 HG11 VAL A 73 0.868 7.760 7.256 1.00 1.60 H new ATOM 0 HG12 VAL A 73 -0.796 7.624 6.640 1.00 1.60 H new ATOM 0 HG13 VAL A 73 0.527 8.072 5.538 1.00 1.60 H new ATOM 0 HG21 VAL A 73 1.970 9.911 7.456 1.00 2.10 H new ATOM 0 HG22 VAL A 73 1.637 10.308 5.754 1.00 2.10 H new ATOM 0 HG23 VAL A 73 1.136 11.428 7.043 1.00 2.10 H new ATOM 1179 N GLN A 74 -2.590 8.714 4.810 1.00 0.71 N ATOM 1180 CA GLN A 74 -3.665 7.733 4.674 1.00 0.72 C ATOM 1181 C GLN A 74 -3.072 6.425 4.129 1.00 0.97 C ATOM 1182 O GLN A 74 -2.353 6.465 3.131 1.00 1.27 O ATOM 1183 CB GLN A 74 -4.728 8.294 3.714 1.00 0.84 C ATOM 1184 CG GLN A 74 -6.012 7.451 3.673 1.00 1.74 C ATOM 1185 CD GLN A 74 -6.940 7.914 2.551 1.00 2.62 C ATOM 1186 OE1 GLN A 74 -7.379 9.050 2.507 1.00 2.93 O ATOM 1187 NE2 GLN A 74 -7.260 7.064 1.601 1.00 4.17 N ATOM 0 H GLN A 74 -1.963 8.732 4.006 1.00 0.71 H new ATOM 0 HA GLN A 74 -4.133 7.532 5.638 1.00 0.72 H new ATOM 0 HB2 GLN A 74 -4.979 9.311 4.014 1.00 0.84 H new ATOM 0 HB3 GLN A 74 -4.307 8.352 2.710 1.00 0.84 H new ATOM 0 HG2 GLN A 74 -5.757 6.401 3.528 1.00 1.74 H new ATOM 0 HG3 GLN A 74 -6.529 7.524 4.630 1.00 1.74 H new ATOM 0 HE21 GLN A 74 -6.899 6.110 1.627 1.00 4.17 H new ATOM 0 HE22 GLN A 74 -7.870 7.358 0.838 1.00 4.17 H new ATOM 1196 N VAL A 75 -3.378 5.279 4.752 1.00 0.69 N ATOM 1197 CA VAL A 75 -2.857 3.962 4.329 1.00 0.67 C ATOM 1198 C VAL A 75 -3.937 3.174 3.580 1.00 0.81 C ATOM 1199 O VAL A 75 -5.001 2.883 4.133 1.00 1.14 O ATOM 1200 CB VAL A 75 -2.314 3.122 5.509 1.00 0.74 C ATOM 1201 CG1 VAL A 75 -1.598 1.858 4.989 1.00 0.79 C ATOM 1202 CG2 VAL A 75 -1.330 3.931 6.373 1.00 1.02 C ATOM 0 H VAL A 75 -3.993 5.234 5.564 1.00 0.69 H new ATOM 0 HA VAL A 75 -2.017 4.160 3.663 1.00 0.67 H new ATOM 0 HB VAL A 75 -3.170 2.838 6.122 1.00 0.74 H new ATOM 0 HG11 VAL A 75 -1.223 1.279 5.833 1.00 0.79 H new ATOM 0 HG12 VAL A 75 -2.300 1.252 4.417 1.00 0.79 H new ATOM 0 HG13 VAL A 75 -0.765 2.149 4.349 1.00 0.79 H new ATOM 0 HG21 VAL A 75 -0.969 3.309 7.192 1.00 1.02 H new ATOM 0 HG22 VAL A 75 -0.487 4.251 5.761 1.00 1.02 H new ATOM 0 HG23 VAL A 75 -1.837 4.807 6.778 1.00 1.02 H new ATOM 1212 N ILE A 76 -3.644 2.838 2.322 1.00 0.62 N ATOM 1213 CA ILE A 76 -4.507 2.087 1.403 1.00 0.58 C ATOM 1214 C ILE A 76 -3.923 0.684 1.192 1.00 0.79 C ATOM 1215 O ILE A 76 -2.843 0.503 0.621 1.00 0.98 O ATOM 1216 CB ILE A 76 -4.662 2.821 0.046 1.00 0.60 C ATOM 1217 CG1 ILE A 76 -5.315 4.222 0.104 1.00 0.88 C ATOM 1218 CG2 ILE A 76 -5.541 1.983 -0.900 1.00 0.65 C ATOM 1219 CD1 ILE A 76 -4.481 5.317 0.775 1.00 2.04 C ATOM 0 H ILE A 76 -2.754 3.094 1.894 1.00 0.62 H new ATOM 0 HA ILE A 76 -5.500 2.006 1.845 1.00 0.58 H new ATOM 0 HB ILE A 76 -3.635 2.950 -0.297 1.00 0.60 H new ATOM 0 HG12 ILE A 76 -5.544 4.538 -0.914 1.00 0.88 H new ATOM 0 HG13 ILE A 76 -6.264 4.138 0.633 1.00 0.88 H new ATOM 0 HG21 ILE A 76 -5.648 2.502 -1.853 1.00 0.65 H new ATOM 0 HG22 ILE A 76 -5.074 1.012 -1.066 1.00 0.65 H new ATOM 0 HG23 ILE A 76 -6.525 1.841 -0.452 1.00 0.65 H new ATOM 0 HD11 ILE A 76 -5.034 6.256 0.760 1.00 2.04 H new ATOM 0 HD12 ILE A 76 -4.273 5.035 1.807 1.00 2.04 H new ATOM 0 HD13 ILE A 76 -3.542 5.441 0.236 1.00 2.04 H new ATOM 1231 N PHE A 77 -4.699 -0.325 1.587 1.00 0.60 N ATOM 1232 CA PHE A 77 -4.407 -1.731 1.352 1.00 0.63 C ATOM 1233 C PHE A 77 -5.191 -2.172 0.113 1.00 1.44 C ATOM 1234 O PHE A 77 -6.420 -2.193 0.125 1.00 1.83 O ATOM 1235 CB PHE A 77 -4.796 -2.533 2.603 1.00 0.71 C ATOM 1236 CG PHE A 77 -4.630 -4.038 2.475 1.00 0.84 C ATOM 1237 CD1 PHE A 77 -3.374 -4.637 2.699 1.00 2.15 C ATOM 1238 CD2 PHE A 77 -5.735 -4.845 2.145 1.00 2.19 C ATOM 1239 CE1 PHE A 77 -3.231 -6.034 2.622 1.00 2.19 C ATOM 1240 CE2 PHE A 77 -5.589 -6.240 2.056 1.00 2.11 C ATOM 1241 CZ PHE A 77 -4.342 -6.837 2.304 1.00 1.14 C ATOM 0 H PHE A 77 -5.572 -0.178 2.093 1.00 0.60 H new ATOM 0 HA PHE A 77 -3.346 -1.902 1.169 1.00 0.63 H new ATOM 0 HB2 PHE A 77 -4.193 -2.186 3.442 1.00 0.71 H new ATOM 0 HB3 PHE A 77 -5.836 -2.316 2.847 1.00 0.71 H new ATOM 0 HD1 PHE A 77 -2.518 -4.021 2.931 1.00 2.15 H new ATOM 0 HD2 PHE A 77 -6.697 -4.391 1.960 1.00 2.19 H new ATOM 0 HE1 PHE A 77 -2.270 -6.490 2.807 1.00 2.19 H new ATOM 0 HE2 PHE A 77 -6.438 -6.855 1.796 1.00 2.11 H new ATOM 0 HZ PHE A 77 -4.236 -7.910 2.251 1.00 1.14 H new ATOM 1251 N VAL A 78 -4.475 -2.508 -0.961 1.00 0.62 N ATOM 1252 CA VAL A 78 -5.072 -3.041 -2.191 1.00 0.64 C ATOM 1253 C VAL A 78 -4.945 -4.557 -2.170 1.00 0.95 C ATOM 1254 O VAL A 78 -3.845 -5.110 -2.105 1.00 1.09 O ATOM 1255 CB VAL A 78 -4.427 -2.458 -3.467 1.00 0.66 C ATOM 1256 CG1 VAL A 78 -4.931 -3.152 -4.746 1.00 0.98 C ATOM 1257 CG2 VAL A 78 -4.766 -0.964 -3.582 1.00 1.19 C ATOM 0 H VAL A 78 -3.460 -2.418 -1.004 1.00 0.62 H new ATOM 0 HA VAL A 78 -6.121 -2.746 -2.221 1.00 0.64 H new ATOM 0 HB VAL A 78 -3.352 -2.618 -3.379 1.00 0.66 H new ATOM 0 HG11 VAL A 78 -4.448 -2.707 -5.616 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -4.691 -4.214 -4.702 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -6.011 -3.027 -4.827 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -4.309 -0.556 -4.484 1.00 1.19 H new ATOM 0 HG22 VAL A 78 -5.848 -0.839 -3.635 1.00 1.19 H new ATOM 0 HG23 VAL A 78 -4.382 -0.436 -2.709 1.00 1.19 H new ATOM 1267 N SER A 79 -6.091 -5.217 -2.245 1.00 0.82 N ATOM 1268 CA SER A 79 -6.166 -6.657 -2.424 1.00 0.86 C ATOM 1269 C SER A 79 -5.851 -7.066 -3.864 1.00 0.95 C ATOM 1270 O SER A 79 -6.312 -6.432 -4.813 1.00 1.29 O ATOM 1271 CB SER A 79 -7.532 -7.180 -2.021 1.00 1.24 C ATOM 1272 OG SER A 79 -7.618 -7.202 -0.611 1.00 2.95 O ATOM 0 H SER A 79 -7.002 -4.763 -2.183 1.00 0.82 H new ATOM 0 HA SER A 79 -5.411 -7.102 -1.775 1.00 0.86 H new ATOM 0 HB2 SER A 79 -8.315 -6.546 -2.436 1.00 1.24 H new ATOM 0 HB3 SER A 79 -7.686 -8.181 -2.423 1.00 1.24 H new ATOM 0 HG SER A 79 -7.214 -8.028 -0.271 1.00 2.95 H new ATOM 1278 N VAL A 80 -5.084 -8.149 -4.013 1.00 0.83 N ATOM 1279 CA VAL A 80 -4.484 -8.576 -5.301 1.00 0.87 C ATOM 1280 C VAL A 80 -5.235 -9.733 -5.969 1.00 1.31 C ATOM 1281 O VAL A 80 -4.980 -10.036 -7.135 1.00 1.42 O ATOM 1282 CB VAL A 80 -2.996 -8.966 -5.145 1.00 0.84 C ATOM 1283 CG1 VAL A 80 -2.166 -7.791 -4.593 1.00 2.34 C ATOM 1284 CG2 VAL A 80 -2.788 -10.218 -4.275 1.00 1.93 C ATOM 0 H VAL A 80 -4.853 -8.770 -3.237 1.00 0.83 H new ATOM 0 HA VAL A 80 -4.567 -7.703 -5.948 1.00 0.87 H new ATOM 0 HB VAL A 80 -2.644 -9.211 -6.147 1.00 0.84 H new ATOM 0 HG11 VAL A 80 -1.124 -8.096 -4.494 1.00 2.34 H new ATOM 0 HG12 VAL A 80 -2.233 -6.945 -5.277 1.00 2.34 H new ATOM 0 HG13 VAL A 80 -2.553 -7.500 -3.616 1.00 2.34 H new ATOM 0 HG21 VAL A 80 -1.723 -10.439 -4.204 1.00 1.93 H new ATOM 0 HG22 VAL A 80 -3.188 -10.038 -3.277 1.00 1.93 H new ATOM 0 HG23 VAL A 80 -3.305 -11.065 -4.726 1.00 1.93 H new ATOM 1294 N ASP A 81 -6.145 -10.387 -5.236 1.00 0.91 N ATOM 1295 CA ASP A 81 -7.020 -11.438 -5.760 1.00 0.97 C ATOM 1296 C ASP A 81 -8.457 -10.879 -5.876 1.00 1.21 C ATOM 1297 O ASP A 81 -9.121 -10.694 -4.855 1.00 1.73 O ATOM 1298 CB ASP A 81 -6.943 -12.696 -4.870 1.00 1.26 C ATOM 1299 CG ASP A 81 -7.655 -13.911 -5.486 1.00 1.89 C ATOM 1300 OD1 ASP A 81 -8.702 -13.703 -6.148 1.00 2.86 O ATOM 1301 OD2 ASP A 81 -7.175 -15.046 -5.265 1.00 2.58 O ATOM 0 H ASP A 81 -6.295 -10.196 -4.245 1.00 0.91 H new ATOM 0 HA ASP A 81 -6.694 -11.743 -6.754 1.00 0.97 H new ATOM 0 HB2 ASP A 81 -5.897 -12.946 -4.693 1.00 1.26 H new ATOM 0 HB3 ASP A 81 -7.387 -12.475 -3.899 1.00 1.26 H new ATOM 1306 N PRO A 82 -8.954 -10.598 -7.095 1.00 0.85 N ATOM 1307 CA PRO A 82 -10.277 -10.020 -7.320 1.00 1.09 C ATOM 1308 C PRO A 82 -11.413 -11.057 -7.240 1.00 1.31 C ATOM 1309 O PRO A 82 -12.576 -10.676 -7.354 1.00 1.82 O ATOM 1310 CB PRO A 82 -10.189 -9.406 -8.719 1.00 1.40 C ATOM 1311 CG PRO A 82 -9.241 -10.352 -9.449 1.00 1.32 C ATOM 1312 CD PRO A 82 -8.250 -10.747 -8.361 1.00 1.02 C ATOM 0 HA PRO A 82 -10.523 -9.292 -6.547 1.00 1.09 H new ATOM 0 HB2 PRO A 82 -11.165 -9.360 -9.202 1.00 1.40 H new ATOM 0 HB3 PRO A 82 -9.800 -8.388 -8.689 1.00 1.40 H new ATOM 0 HG2 PRO A 82 -9.766 -11.218 -9.852 1.00 1.32 H new ATOM 0 HG3 PRO A 82 -8.746 -9.861 -10.287 1.00 1.32 H new ATOM 0 HD2 PRO A 82 -7.910 -11.773 -8.499 1.00 1.02 H new ATOM 0 HD3 PRO A 82 -7.365 -10.111 -8.391 1.00 1.02 H new ATOM 1320 N GLU A 83 -11.096 -12.349 -7.075 1.00 1.02 N ATOM 1321 CA GLU A 83 -12.068 -13.436 -6.996 1.00 1.26 C ATOM 1322 C GLU A 83 -12.295 -13.834 -5.530 1.00 1.54 C ATOM 1323 O GLU A 83 -13.434 -13.877 -5.061 1.00 2.48 O ATOM 1324 CB GLU A 83 -11.521 -14.616 -7.813 1.00 1.33 C ATOM 1325 CG GLU A 83 -12.526 -15.758 -7.967 1.00 2.70 C ATOM 1326 CD GLU A 83 -11.818 -16.996 -8.501 1.00 3.19 C ATOM 1327 OE1 GLU A 83 -11.238 -17.720 -7.662 1.00 4.11 O ATOM 1328 OE2 GLU A 83 -11.850 -17.219 -9.729 1.00 3.43 O ATOM 0 H GLU A 83 -10.131 -12.669 -6.991 1.00 1.02 H new ATOM 0 HA GLU A 83 -13.030 -13.124 -7.402 1.00 1.26 H new ATOM 0 HB2 GLU A 83 -11.229 -14.261 -8.802 1.00 1.33 H new ATOM 0 HB3 GLU A 83 -10.620 -14.996 -7.332 1.00 1.33 H new ATOM 0 HG2 GLU A 83 -12.990 -15.979 -7.006 1.00 2.70 H new ATOM 0 HG3 GLU A 83 -13.325 -15.463 -8.647 1.00 2.70 H new ATOM 1335 N ARG A 84 -11.206 -14.103 -4.799 1.00 0.91 N ATOM 1336 CA ARG A 84 -11.241 -14.537 -3.401 1.00 0.99 C ATOM 1337 C ARG A 84 -11.227 -13.385 -2.387 1.00 1.26 C ATOM 1338 O ARG A 84 -11.645 -13.611 -1.253 1.00 1.49 O ATOM 1339 CB ARG A 84 -10.069 -15.501 -3.135 1.00 1.22 C ATOM 1340 CG ARG A 84 -10.468 -16.981 -3.194 1.00 1.73 C ATOM 1341 CD ARG A 84 -10.913 -17.515 -4.567 1.00 2.74 C ATOM 1342 NE ARG A 84 -11.352 -18.914 -4.394 1.00 3.22 N ATOM 1343 CZ ARG A 84 -11.003 -19.969 -5.126 1.00 4.21 C ATOM 1344 NH1 ARG A 84 -10.416 -19.883 -6.294 1.00 5.16 N ATOM 1345 NH2 ARG A 84 -11.242 -21.180 -4.674 1.00 4.97 N ATOM 0 H ARG A 84 -10.260 -14.023 -5.171 1.00 0.91 H new ATOM 0 HA ARG A 84 -12.195 -15.043 -3.255 1.00 0.99 H new ATOM 0 HB2 ARG A 84 -9.283 -15.315 -3.867 1.00 1.22 H new ATOM 0 HB3 ARG A 84 -9.647 -15.285 -2.153 1.00 1.22 H new ATOM 0 HG2 ARG A 84 -9.621 -17.577 -2.854 1.00 1.73 H new ATOM 0 HG3 ARG A 84 -11.279 -17.145 -2.484 1.00 1.73 H new ATOM 0 HD2 ARG A 84 -11.725 -16.908 -4.967 1.00 2.74 H new ATOM 0 HD3 ARG A 84 -10.092 -17.459 -5.282 1.00 2.74 H new ATOM 0 HE ARG A 84 -11.997 -19.092 -3.625 1.00 3.22 H new ATOM 0 HH11 ARG A 84 -10.201 -18.968 -6.691 1.00 5.16 H new ATOM 0 HH12 ARG A 84 -10.173 -20.731 -6.807 1.00 5.16 H new ATOM 0 HH21 ARG A 84 -11.692 -21.306 -3.768 1.00 4.97 H new ATOM 0 HH22 ARG A 84 -10.977 -21.993 -5.230 1.00 4.97 H new ATOM 1359 N ASP A 85 -10.737 -12.189 -2.728 1.00 0.79 N ATOM 1360 CA ASP A 85 -10.606 -11.077 -1.775 1.00 0.78 C ATOM 1361 C ASP A 85 -11.577 -9.920 -2.111 1.00 1.03 C ATOM 1362 O ASP A 85 -11.194 -9.003 -2.832 1.00 1.27 O ATOM 1363 CB ASP A 85 -9.130 -10.608 -1.710 1.00 0.90 C ATOM 1364 CG ASP A 85 -8.749 -10.050 -0.344 1.00 1.41 C ATOM 1365 OD1 ASP A 85 -9.619 -9.921 0.544 1.00 2.51 O ATOM 1366 OD2 ASP A 85 -7.539 -9.781 -0.139 1.00 1.94 O ATOM 0 H ASP A 85 -10.420 -11.962 -3.671 1.00 0.79 H new ATOM 0 HA ASP A 85 -10.890 -11.431 -0.784 1.00 0.78 H new ATOM 0 HB2 ASP A 85 -8.476 -11.446 -1.951 1.00 0.90 H new ATOM 0 HB3 ASP A 85 -8.962 -9.844 -2.469 1.00 0.90 H new ATOM 1371 N PRO A 86 -12.846 -9.937 -1.657 1.00 0.70 N ATOM 1372 CA PRO A 86 -13.808 -8.865 -1.927 1.00 0.83 C ATOM 1373 C PRO A 86 -13.562 -7.645 -1.016 1.00 0.97 C ATOM 1374 O PRO A 86 -13.118 -7.827 0.122 1.00 0.82 O ATOM 1375 CB PRO A 86 -15.184 -9.497 -1.694 1.00 0.92 C ATOM 1376 CG PRO A 86 -14.903 -10.541 -0.617 1.00 0.84 C ATOM 1377 CD PRO A 86 -13.498 -11.035 -0.962 1.00 0.70 C ATOM 0 HA PRO A 86 -13.718 -8.478 -2.942 1.00 0.83 H new ATOM 0 HB2 PRO A 86 -15.916 -8.761 -1.361 1.00 0.92 H new ATOM 0 HB3 PRO A 86 -15.579 -9.951 -2.603 1.00 0.92 H new ATOM 0 HG2 PRO A 86 -14.943 -10.108 0.383 1.00 0.84 H new ATOM 0 HG3 PRO A 86 -15.632 -11.351 -0.643 1.00 0.84 H new ATOM 0 HD2 PRO A 86 -12.948 -11.308 -0.061 1.00 0.70 H new ATOM 0 HD3 PRO A 86 -13.541 -11.924 -1.591 1.00 0.70 H new ATOM 1385 N PRO A 87 -13.890 -6.407 -1.452 1.00 0.60 N ATOM 1386 CA PRO A 87 -13.487 -5.178 -0.765 1.00 0.76 C ATOM 1387 C PRO A 87 -14.024 -5.102 0.667 1.00 1.04 C ATOM 1388 O PRO A 87 -13.352 -4.572 1.544 1.00 0.99 O ATOM 1389 CB PRO A 87 -14.011 -4.017 -1.620 1.00 0.84 C ATOM 1390 CG PRO A 87 -15.165 -4.631 -2.408 1.00 0.84 C ATOM 1391 CD PRO A 87 -14.706 -6.078 -2.617 1.00 0.69 C ATOM 0 HA PRO A 87 -12.402 -5.141 -0.663 1.00 0.76 H new ATOM 0 HB2 PRO A 87 -14.348 -3.186 -1.001 1.00 0.84 H new ATOM 0 HB3 PRO A 87 -13.238 -3.628 -2.282 1.00 0.84 H new ATOM 0 HG2 PRO A 87 -16.103 -4.581 -1.855 1.00 0.84 H new ATOM 0 HG3 PRO A 87 -15.325 -4.117 -3.356 1.00 0.84 H new ATOM 0 HD2 PRO A 87 -15.559 -6.751 -2.700 1.00 0.69 H new ATOM 0 HD3 PRO A 87 -14.131 -6.177 -3.538 1.00 0.69 H new ATOM 1399 N GLU A 88 -15.197 -5.683 0.923 1.00 0.61 N ATOM 1400 CA GLU A 88 -15.794 -5.771 2.253 1.00 0.75 C ATOM 1401 C GLU A 88 -14.983 -6.636 3.229 1.00 1.10 C ATOM 1402 O GLU A 88 -14.933 -6.319 4.410 1.00 1.38 O ATOM 1403 CB GLU A 88 -17.221 -6.340 2.093 1.00 0.91 C ATOM 1404 CG GLU A 88 -18.325 -5.275 2.172 1.00 1.35 C ATOM 1405 CD GLU A 88 -18.740 -5.023 3.617 1.00 2.56 C ATOM 1406 OE1 GLU A 88 -19.138 -5.996 4.296 1.00 2.86 O ATOM 1407 OE2 GLU A 88 -18.587 -3.889 4.110 1.00 4.03 O ATOM 0 H GLU A 88 -15.769 -6.114 0.196 1.00 0.61 H new ATOM 0 HA GLU A 88 -15.809 -4.771 2.687 1.00 0.75 H new ATOM 0 HB2 GLU A 88 -17.292 -6.853 1.134 1.00 0.91 H new ATOM 0 HB3 GLU A 88 -17.393 -7.087 2.868 1.00 0.91 H new ATOM 0 HG2 GLU A 88 -17.972 -4.346 1.724 1.00 1.35 H new ATOM 0 HG3 GLU A 88 -19.190 -5.599 1.593 1.00 1.35 H new ATOM 1414 N VAL A 89 -14.359 -7.728 2.776 1.00 0.75 N ATOM 1415 CA VAL A 89 -13.456 -8.551 3.611 1.00 0.79 C ATOM 1416 C VAL A 89 -12.089 -7.867 3.767 1.00 1.05 C ATOM 1417 O VAL A 89 -11.563 -7.777 4.876 1.00 1.04 O ATOM 1418 CB VAL A 89 -13.320 -9.991 3.055 1.00 0.78 C ATOM 1419 CG1 VAL A 89 -12.297 -10.839 3.828 1.00 0.93 C ATOM 1420 CG2 VAL A 89 -14.681 -10.712 3.128 1.00 1.06 C ATOM 0 H VAL A 89 -14.461 -8.072 1.821 1.00 0.75 H new ATOM 0 HA VAL A 89 -13.899 -8.638 4.603 1.00 0.79 H new ATOM 0 HB VAL A 89 -12.975 -9.889 2.026 1.00 0.78 H new ATOM 0 HG11 VAL A 89 -12.247 -11.836 3.391 1.00 0.93 H new ATOM 0 HG12 VAL A 89 -11.316 -10.368 3.770 1.00 0.93 H new ATOM 0 HG13 VAL A 89 -12.602 -10.915 4.872 1.00 0.93 H new ATOM 0 HG21 VAL A 89 -14.578 -11.724 2.736 1.00 1.06 H new ATOM 0 HG22 VAL A 89 -15.014 -10.757 4.165 1.00 1.06 H new ATOM 0 HG23 VAL A 89 -15.414 -10.166 2.535 1.00 1.06 H new ATOM 1430 N ALA A 90 -11.538 -7.352 2.658 1.00 0.77 N ATOM 1431 CA ALA A 90 -10.278 -6.612 2.618 1.00 0.76 C ATOM 1432 C ALA A 90 -10.250 -5.410 3.581 1.00 0.94 C ATOM 1433 O ALA A 90 -9.282 -5.249 4.330 1.00 1.01 O ATOM 1434 CB ALA A 90 -10.040 -6.193 1.163 1.00 0.80 C ATOM 0 H ALA A 90 -11.973 -7.444 1.740 1.00 0.77 H new ATOM 0 HA ALA A 90 -9.470 -7.255 2.966 1.00 0.76 H new ATOM 0 HB1 ALA A 90 -9.105 -5.636 1.093 1.00 0.80 H new ATOM 0 HB2 ALA A 90 -9.982 -7.081 0.534 1.00 0.80 H new ATOM 0 HB3 ALA A 90 -10.864 -5.563 0.826 1.00 0.80 H new ATOM 1440 N ASP A 91 -11.316 -4.600 3.612 1.00 0.66 N ATOM 1441 CA ASP A 91 -11.384 -3.427 4.488 1.00 0.62 C ATOM 1442 C ASP A 91 -11.334 -3.796 5.969 1.00 0.97 C ATOM 1443 O ASP A 91 -10.650 -3.122 6.731 1.00 1.00 O ATOM 1444 CB ASP A 91 -12.634 -2.613 4.168 1.00 0.70 C ATOM 1445 CG ASP A 91 -12.656 -1.307 4.967 1.00 0.85 C ATOM 1446 OD1 ASP A 91 -11.925 -0.352 4.606 1.00 1.63 O ATOM 1447 OD2 ASP A 91 -13.378 -1.237 5.985 1.00 2.07 O ATOM 0 H ASP A 91 -12.147 -4.738 3.036 1.00 0.66 H new ATOM 0 HA ASP A 91 -10.500 -2.820 4.294 1.00 0.62 H new ATOM 0 HB2 ASP A 91 -12.665 -2.392 3.101 1.00 0.70 H new ATOM 0 HB3 ASP A 91 -13.523 -3.200 4.398 1.00 0.70 H new ATOM 1452 N ARG A 92 -11.991 -4.893 6.364 1.00 0.63 N ATOM 1453 CA ARG A 92 -12.004 -5.388 7.747 1.00 0.68 C ATOM 1454 C ARG A 92 -10.586 -5.680 8.238 1.00 1.17 C ATOM 1455 O ARG A 92 -10.219 -5.290 9.344 1.00 1.48 O ATOM 1456 CB ARG A 92 -12.843 -6.674 7.844 1.00 0.78 C ATOM 1457 CG ARG A 92 -14.269 -6.503 7.305 1.00 1.06 C ATOM 1458 CD ARG A 92 -15.354 -6.371 8.375 1.00 1.67 C ATOM 1459 NE ARG A 92 -16.419 -5.429 7.978 1.00 2.69 N ATOM 1460 CZ ARG A 92 -17.277 -5.576 6.973 1.00 3.34 C ATOM 1461 NH1 ARG A 92 -17.229 -6.587 6.141 1.00 3.50 N ATOM 1462 NH2 ARG A 92 -18.205 -4.676 6.754 1.00 4.73 N ATOM 0 H ARG A 92 -12.536 -5.470 5.724 1.00 0.63 H new ATOM 0 HA ARG A 92 -12.444 -4.612 8.374 1.00 0.68 H new ATOM 0 HB2 ARG A 92 -12.344 -7.469 7.290 1.00 0.78 H new ATOM 0 HB3 ARG A 92 -12.890 -6.993 8.885 1.00 0.78 H new ATOM 0 HG2 ARG A 92 -14.297 -5.618 6.670 1.00 1.06 H new ATOM 0 HG3 ARG A 92 -14.507 -7.358 6.672 1.00 1.06 H new ATOM 0 HD2 ARG A 92 -15.792 -7.350 8.569 1.00 1.67 H new ATOM 0 HD3 ARG A 92 -14.902 -6.034 9.308 1.00 1.67 H new ATOM 0 HE ARG A 92 -16.506 -4.577 8.532 1.00 2.69 H new ATOM 0 HH11 ARG A 92 -16.511 -7.304 6.250 1.00 3.50 H new ATOM 0 HH12 ARG A 92 -17.909 -6.658 5.384 1.00 3.50 H new ATOM 0 HH21 ARG A 92 -18.272 -3.856 7.357 1.00 4.73 H new ATOM 0 HH22 ARG A 92 -18.859 -4.796 5.981 1.00 4.73 H new ATOM 1476 N TYR A 93 -9.793 -6.362 7.407 1.00 0.62 N ATOM 1477 CA TYR A 93 -8.411 -6.734 7.725 1.00 0.64 C ATOM 1478 C TYR A 93 -7.501 -5.497 7.838 1.00 1.00 C ATOM 1479 O TYR A 93 -6.712 -5.402 8.776 1.00 1.23 O ATOM 1480 CB TYR A 93 -7.883 -7.743 6.686 1.00 0.69 C ATOM 1481 CG TYR A 93 -7.160 -8.943 7.282 1.00 1.15 C ATOM 1482 CD1 TYR A 93 -6.091 -8.768 8.187 1.00 2.06 C ATOM 1483 CD2 TYR A 93 -7.568 -10.249 6.941 1.00 2.62 C ATOM 1484 CE1 TYR A 93 -5.455 -9.884 8.766 1.00 2.35 C ATOM 1485 CE2 TYR A 93 -6.928 -11.370 7.501 1.00 3.13 C ATOM 1486 CZ TYR A 93 -5.877 -11.191 8.429 1.00 2.36 C ATOM 1487 OH TYR A 93 -5.253 -12.270 8.972 1.00 3.05 O ATOM 0 H TYR A 93 -10.095 -6.675 6.484 1.00 0.62 H new ATOM 0 HA TYR A 93 -8.400 -7.215 8.703 1.00 0.64 H new ATOM 0 HB2 TYR A 93 -8.721 -8.100 6.087 1.00 0.69 H new ATOM 0 HB3 TYR A 93 -7.204 -7.226 6.008 1.00 0.69 H new ATOM 0 HD1 TYR A 93 -5.758 -7.772 8.437 1.00 2.06 H new ATOM 0 HD2 TYR A 93 -8.380 -10.390 6.243 1.00 2.62 H new ATOM 0 HE1 TYR A 93 -4.646 -9.741 9.467 1.00 2.35 H new ATOM 0 HE2 TYR A 93 -7.239 -12.366 7.222 1.00 3.13 H new ATOM 0 HH TYR A 93 -5.668 -13.092 8.635 1.00 3.05 H new ATOM 1497 N ALA A 94 -7.664 -4.511 6.947 1.00 0.57 N ATOM 1498 CA ALA A 94 -6.965 -3.226 7.039 1.00 0.59 C ATOM 1499 C ALA A 94 -7.362 -2.447 8.316 1.00 0.83 C ATOM 1500 O ALA A 94 -6.503 -2.034 9.093 1.00 0.88 O ATOM 1501 CB ALA A 94 -7.257 -2.456 5.744 1.00 0.68 C ATOM 0 H ALA A 94 -8.285 -4.583 6.141 1.00 0.57 H new ATOM 0 HA ALA A 94 -5.889 -3.375 7.134 1.00 0.59 H new ATOM 0 HB1 ALA A 94 -6.753 -1.490 5.773 1.00 0.68 H new ATOM 0 HB2 ALA A 94 -6.895 -3.029 4.890 1.00 0.68 H new ATOM 0 HB3 ALA A 94 -8.332 -2.301 5.647 1.00 0.68 H new ATOM 1507 N LYS A 95 -8.663 -2.317 8.582 1.00 0.61 N ATOM 1508 CA LYS A 95 -9.251 -1.603 9.731 1.00 0.67 C ATOM 1509 C LYS A 95 -8.844 -2.188 11.093 1.00 0.93 C ATOM 1510 O LYS A 95 -8.702 -1.453 12.071 1.00 1.16 O ATOM 1511 CB LYS A 95 -10.787 -1.672 9.582 1.00 0.88 C ATOM 1512 CG LYS A 95 -11.558 -0.582 10.344 1.00 1.95 C ATOM 1513 CD LYS A 95 -11.701 0.697 9.508 1.00 1.54 C ATOM 1514 CE LYS A 95 -12.660 0.481 8.326 1.00 1.57 C ATOM 1515 NZ LYS A 95 -12.114 0.990 7.050 1.00 1.38 N ATOM 0 H LYS A 95 -9.375 -2.725 7.976 1.00 0.61 H new ATOM 0 HA LYS A 95 -8.878 -0.579 9.719 1.00 0.67 H new ATOM 0 HB2 LYS A 95 -11.039 -1.603 8.524 1.00 0.88 H new ATOM 0 HB3 LYS A 95 -11.128 -2.648 9.928 1.00 0.88 H new ATOM 0 HG2 LYS A 95 -12.547 -0.955 10.612 1.00 1.95 H new ATOM 0 HG3 LYS A 95 -11.040 -0.353 11.275 1.00 1.95 H new ATOM 0 HD2 LYS A 95 -12.071 1.507 10.137 1.00 1.54 H new ATOM 0 HD3 LYS A 95 -10.723 1.003 9.136 1.00 1.54 H new ATOM 0 HE2 LYS A 95 -12.874 -0.583 8.226 1.00 1.57 H new ATOM 0 HE3 LYS A 95 -13.607 0.978 8.536 1.00 1.57 H new ATOM 0 HZ1 LYS A 95 -12.485 0.422 6.262 1.00 1.38 H new ATOM 0 HZ2 LYS A 95 -12.396 1.983 6.923 1.00 1.38 H new ATOM 0 HZ3 LYS A 95 -11.076 0.924 7.065 1.00 1.38 H new ATOM 1529 N ALA A 96 -8.657 -3.511 11.163 1.00 0.71 N ATOM 1530 CA ALA A 96 -8.268 -4.240 12.371 1.00 0.78 C ATOM 1531 C ALA A 96 -6.889 -3.813 12.894 1.00 0.95 C ATOM 1532 O ALA A 96 -6.669 -3.803 14.103 1.00 1.19 O ATOM 1533 CB ALA A 96 -8.317 -5.743 12.063 1.00 0.82 C ATOM 0 H ALA A 96 -8.776 -4.121 10.354 1.00 0.71 H new ATOM 0 HA ALA A 96 -8.969 -4.003 13.171 1.00 0.78 H new ATOM 0 HB1 ALA A 96 -8.030 -6.306 12.951 1.00 0.82 H new ATOM 0 HB2 ALA A 96 -9.329 -6.021 11.768 1.00 0.82 H new ATOM 0 HB3 ALA A 96 -7.627 -5.971 11.251 1.00 0.82 H new ATOM 1539 N PHE A 97 -5.986 -3.393 12.002 1.00 0.74 N ATOM 1540 CA PHE A 97 -4.726 -2.783 12.407 1.00 0.77 C ATOM 1541 C PHE A 97 -4.908 -1.395 13.005 1.00 1.84 C ATOM 1542 O PHE A 97 -4.266 -1.088 14.013 1.00 2.19 O ATOM 1543 CB PHE A 97 -3.756 -2.805 11.221 1.00 0.82 C ATOM 1544 CG PHE A 97 -3.079 -4.146 11.186 1.00 0.94 C ATOM 1545 CD1 PHE A 97 -2.073 -4.417 12.129 1.00 2.37 C ATOM 1546 CD2 PHE A 97 -3.562 -5.169 10.352 1.00 2.08 C ATOM 1547 CE1 PHE A 97 -1.559 -5.719 12.244 1.00 2.30 C ATOM 1548 CE2 PHE A 97 -3.027 -6.461 10.447 1.00 2.13 C ATOM 1549 CZ PHE A 97 -2.029 -6.739 11.398 1.00 1.19 C ATOM 0 H PHE A 97 -6.110 -3.467 10.992 1.00 0.74 H new ATOM 0 HA PHE A 97 -4.295 -3.371 13.217 1.00 0.77 H new ATOM 0 HB2 PHE A 97 -4.293 -2.627 10.289 1.00 0.82 H new ATOM 0 HB3 PHE A 97 -3.017 -2.010 11.321 1.00 0.82 H new ATOM 0 HD1 PHE A 97 -1.697 -3.627 12.763 1.00 2.37 H new ATOM 0 HD2 PHE A 97 -4.345 -4.960 9.638 1.00 2.08 H new ATOM 0 HE1 PHE A 97 -0.802 -5.937 12.983 1.00 2.30 H new ATOM 0 HE2 PHE A 97 -3.381 -7.242 9.791 1.00 2.13 H new ATOM 0 HZ PHE A 97 -1.623 -7.737 11.479 1.00 1.19 H new ATOM 1559 N HIS A 98 -5.786 -0.567 12.438 1.00 0.81 N ATOM 1560 CA HIS A 98 -6.064 0.782 12.928 1.00 0.91 C ATOM 1561 C HIS A 98 -7.303 1.374 12.206 1.00 1.31 C ATOM 1562 O HIS A 98 -7.413 1.202 10.992 1.00 1.41 O ATOM 1563 CB HIS A 98 -4.786 1.616 12.724 1.00 0.98 C ATOM 1564 CG HIS A 98 -4.972 3.084 12.978 1.00 1.53 C ATOM 1565 ND1 HIS A 98 -5.491 3.995 12.086 1.00 2.11 N ATOM 1566 CD2 HIS A 98 -4.749 3.742 14.153 1.00 2.32 C ATOM 1567 CE1 HIS A 98 -5.587 5.173 12.719 1.00 2.93 C ATOM 1568 NE2 HIS A 98 -5.171 5.060 13.986 1.00 3.08 N ATOM 0 H HIS A 98 -6.331 -0.819 11.614 1.00 0.81 H new ATOM 0 HA HIS A 98 -6.316 0.781 13.989 1.00 0.91 H new ATOM 0 HB2 HIS A 98 -4.007 1.238 13.387 1.00 0.98 H new ATOM 0 HB3 HIS A 98 -4.431 1.476 11.703 1.00 0.98 H new ATOM 0 HD2 HIS A 98 -4.323 3.318 15.050 1.00 2.32 H new ATOM 0 HE1 HIS A 98 -5.949 6.086 12.269 1.00 2.93 H new ATOM 0 HE2 HIS A 98 -5.164 5.796 14.692 1.00 3.08 H new ATOM 1577 N PRO A 99 -8.209 2.105 12.890 1.00 1.14 N ATOM 1578 CA PRO A 99 -9.499 2.509 12.324 1.00 1.37 C ATOM 1579 C PRO A 99 -9.412 3.426 11.094 1.00 1.53 C ATOM 1580 O PRO A 99 -10.250 3.313 10.209 1.00 1.63 O ATOM 1581 CB PRO A 99 -10.273 3.167 13.473 1.00 1.58 C ATOM 1582 CG PRO A 99 -9.188 3.576 14.467 1.00 1.49 C ATOM 1583 CD PRO A 99 -8.157 2.468 14.300 1.00 1.23 C ATOM 0 HA PRO A 99 -10.007 1.628 11.931 1.00 1.37 H new ATOM 0 HB2 PRO A 99 -10.843 4.030 13.127 1.00 1.58 H new ATOM 0 HB3 PRO A 99 -10.985 2.474 13.922 1.00 1.58 H new ATOM 0 HG2 PRO A 99 -8.772 4.556 14.234 1.00 1.49 H new ATOM 0 HG3 PRO A 99 -9.569 3.626 15.487 1.00 1.49 H new ATOM 0 HD2 PRO A 99 -7.161 2.811 14.581 1.00 1.23 H new ATOM 0 HD3 PRO A 99 -8.391 1.614 14.935 1.00 1.23 H new ATOM 1591 N SER A 100 -8.411 4.303 10.979 1.00 1.44 N ATOM 1592 CA SER A 100 -8.222 5.123 9.757 1.00 1.64 C ATOM 1593 C SER A 100 -7.489 4.394 8.599 1.00 1.55 C ATOM 1594 O SER A 100 -6.817 5.046 7.793 1.00 1.63 O ATOM 1595 CB SER A 100 -7.544 6.462 10.092 1.00 2.12 C ATOM 1596 OG SER A 100 -7.712 7.381 9.030 1.00 2.74 O ATOM 0 H SER A 100 -7.717 4.470 11.708 1.00 1.44 H new ATOM 0 HA SER A 100 -9.226 5.317 9.379 1.00 1.64 H new ATOM 0 HB2 SER A 100 -7.970 6.873 11.007 1.00 2.12 H new ATOM 0 HB3 SER A 100 -6.482 6.302 10.278 1.00 2.12 H new ATOM 0 HG SER A 100 -7.472 6.950 8.183 1.00 2.74 H new ATOM 1602 N PHE A 101 -7.577 3.057 8.517 1.00 1.25 N ATOM 1603 CA PHE A 101 -7.102 2.250 7.377 1.00 1.14 C ATOM 1604 C PHE A 101 -8.260 1.879 6.433 1.00 1.94 C ATOM 1605 O PHE A 101 -9.405 1.699 6.861 1.00 2.40 O ATOM 1606 CB PHE A 101 -6.417 0.955 7.856 1.00 1.14 C ATOM 1607 CG PHE A 101 -4.944 1.056 8.209 1.00 1.34 C ATOM 1608 CD1 PHE A 101 -4.483 2.031 9.109 1.00 2.62 C ATOM 1609 CD2 PHE A 101 -4.022 0.159 7.635 1.00 1.80 C ATOM 1610 CE1 PHE A 101 -3.108 2.164 9.375 1.00 2.80 C ATOM 1611 CE2 PHE A 101 -2.648 0.273 7.918 1.00 1.80 C ATOM 1612 CZ PHE A 101 -2.190 1.294 8.766 1.00 1.98 C ATOM 0 H PHE A 101 -7.990 2.491 9.259 1.00 1.25 H new ATOM 0 HA PHE A 101 -6.380 2.863 6.838 1.00 1.14 H new ATOM 0 HB2 PHE A 101 -6.953 0.590 8.732 1.00 1.14 H new ATOM 0 HB3 PHE A 101 -6.530 0.202 7.076 1.00 1.14 H new ATOM 0 HD1 PHE A 101 -5.189 2.683 9.600 1.00 2.62 H new ATOM 0 HD2 PHE A 101 -4.371 -0.620 6.974 1.00 1.80 H new ATOM 0 HE1 PHE A 101 -2.759 2.934 10.047 1.00 2.80 H new ATOM 0 HE2 PHE A 101 -1.947 -0.424 7.483 1.00 1.80 H new ATOM 0 HZ PHE A 101 -1.132 1.410 8.950 1.00 1.98 H new ATOM 1622 N LEU A 102 -7.938 1.720 5.144 1.00 0.93 N ATOM 1623 CA LEU A 102 -8.902 1.441 4.068 1.00 0.79 C ATOM 1624 C LEU A 102 -8.463 0.221 3.242 1.00 1.00 C ATOM 1625 O LEU A 102 -7.318 0.184 2.789 1.00 1.25 O ATOM 1626 CB LEU A 102 -8.995 2.715 3.193 1.00 0.87 C ATOM 1627 CG LEU A 102 -10.352 3.021 2.525 1.00 1.07 C ATOM 1628 CD1 LEU A 102 -10.868 1.885 1.640 1.00 1.13 C ATOM 1629 CD2 LEU A 102 -11.412 3.401 3.566 1.00 2.56 C ATOM 0 H LEU A 102 -6.976 1.783 4.810 1.00 0.93 H new ATOM 0 HA LEU A 102 -9.881 1.198 4.481 1.00 0.79 H new ATOM 0 HB2 LEU A 102 -8.725 3.570 3.813 1.00 0.87 H new ATOM 0 HB3 LEU A 102 -8.243 2.640 2.408 1.00 0.87 H new ATOM 0 HG LEU A 102 -10.169 3.873 1.870 1.00 1.07 H new ATOM 0 HD11 LEU A 102 -11.825 2.170 1.204 1.00 1.13 H new ATOM 0 HD12 LEU A 102 -10.150 1.689 0.844 1.00 1.13 H new ATOM 0 HD13 LEU A 102 -10.997 0.985 2.241 1.00 1.13 H new ATOM 0 HD21 LEU A 102 -12.356 3.611 3.064 1.00 2.56 H new ATOM 0 HD22 LEU A 102 -11.548 2.576 4.265 1.00 2.56 H new ATOM 0 HD23 LEU A 102 -11.086 4.287 4.110 1.00 2.56 H new ATOM 1641 N GLY A 103 -9.354 -0.745 3.011 1.00 0.67 N ATOM 1642 CA GLY A 103 -9.130 -1.871 2.087 1.00 0.61 C ATOM 1643 C GLY A 103 -9.903 -1.708 0.775 1.00 0.70 C ATOM 1644 O GLY A 103 -11.054 -1.274 0.784 1.00 0.81 O ATOM 0 H GLY A 103 -10.267 -0.772 3.465 1.00 0.67 H new ATOM 0 HA2 GLY A 103 -8.065 -1.954 1.871 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -9.431 -2.800 2.570 1.00 0.61 H new ATOM 1648 N LEU A 104 -9.284 -2.085 -0.348 1.00 0.58 N ATOM 1649 CA LEU A 104 -9.846 -1.990 -1.704 1.00 0.61 C ATOM 1650 C LEU A 104 -9.710 -3.321 -2.456 1.00 1.16 C ATOM 1651 O LEU A 104 -8.663 -3.956 -2.422 1.00 1.42 O ATOM 1652 CB LEU A 104 -9.106 -0.890 -2.493 1.00 0.61 C ATOM 1653 CG LEU A 104 -9.163 0.532 -1.903 1.00 0.78 C ATOM 1654 CD1 LEU A 104 -8.343 1.497 -2.773 1.00 0.81 C ATOM 1655 CD2 LEU A 104 -10.591 1.077 -1.811 1.00 1.17 C ATOM 0 H LEU A 104 -8.343 -2.479 -0.340 1.00 0.58 H new ATOM 0 HA LEU A 104 -10.905 -1.746 -1.615 1.00 0.61 H new ATOM 0 HB2 LEU A 104 -8.059 -1.180 -2.584 1.00 0.61 H new ATOM 0 HB3 LEU A 104 -9.517 -0.858 -3.502 1.00 0.61 H new ATOM 0 HG LEU A 104 -8.753 0.463 -0.895 1.00 0.78 H new ATOM 0 HD11 LEU A 104 -8.390 2.499 -2.348 1.00 0.81 H new ATOM 0 HD12 LEU A 104 -7.305 1.165 -2.806 1.00 0.81 H new ATOM 0 HD13 LEU A 104 -8.751 1.512 -3.783 1.00 0.81 H new ATOM 0 HD21 LEU A 104 -10.571 2.082 -1.388 1.00 1.17 H new ATOM 0 HD22 LEU A 104 -11.032 1.111 -2.807 1.00 1.17 H new ATOM 0 HD23 LEU A 104 -11.188 0.427 -1.172 1.00 1.17 H new ATOM 1667 N SER A 105 -10.746 -3.735 -3.181 1.00 0.54 N ATOM 1668 CA SER A 105 -10.654 -4.786 -4.198 1.00 0.53 C ATOM 1669 C SER A 105 -11.668 -4.522 -5.311 1.00 0.80 C ATOM 1670 O SER A 105 -12.809 -4.183 -5.006 1.00 1.09 O ATOM 1671 CB SER A 105 -10.906 -6.159 -3.596 1.00 0.61 C ATOM 1672 OG SER A 105 -10.557 -7.142 -4.546 1.00 0.86 O ATOM 0 H SER A 105 -11.684 -3.348 -3.080 1.00 0.54 H new ATOM 0 HA SER A 105 -9.644 -4.771 -4.608 1.00 0.53 H new ATOM 0 HB2 SER A 105 -10.318 -6.287 -2.687 1.00 0.61 H new ATOM 0 HB3 SER A 105 -11.954 -6.261 -3.314 1.00 0.61 H new ATOM 0 HG SER A 105 -10.714 -8.032 -4.168 1.00 0.86 H new ATOM 1678 N GLY A 106 -11.286 -4.686 -6.580 1.00 0.80 N ATOM 1679 CA GLY A 106 -12.168 -4.455 -7.735 1.00 0.97 C ATOM 1680 C GLY A 106 -12.070 -5.539 -8.805 1.00 0.87 C ATOM 1681 O GLY A 106 -11.738 -6.682 -8.516 1.00 0.93 O ATOM 0 H GLY A 106 -10.347 -4.986 -6.841 1.00 0.80 H new ATOM 0 HA2 GLY A 106 -13.199 -4.392 -7.387 1.00 0.97 H new ATOM 0 HA3 GLY A 106 -11.923 -3.492 -8.182 1.00 0.97 H new ATOM 1685 N SER A 107 -12.369 -5.194 -10.055 1.00 0.82 N ATOM 1686 CA SER A 107 -12.272 -6.129 -11.178 1.00 0.89 C ATOM 1687 C SER A 107 -10.807 -6.425 -11.580 1.00 1.06 C ATOM 1688 O SER A 107 -9.920 -5.593 -11.325 1.00 1.10 O ATOM 1689 CB SER A 107 -13.083 -5.559 -12.349 1.00 1.10 C ATOM 1690 OG SER A 107 -12.492 -4.376 -12.850 1.00 1.70 O ATOM 0 H SER A 107 -12.685 -4.261 -10.320 1.00 0.82 H new ATOM 0 HA SER A 107 -12.685 -7.092 -10.877 1.00 0.89 H new ATOM 0 HB2 SER A 107 -13.149 -6.301 -13.145 1.00 1.10 H new ATOM 0 HB3 SER A 107 -14.102 -5.350 -12.022 1.00 1.10 H new ATOM 0 HG SER A 107 -12.710 -4.279 -13.800 1.00 1.70 H new ATOM 1696 N PRO A 108 -10.519 -7.588 -12.209 1.00 0.93 N ATOM 1697 CA PRO A 108 -9.160 -7.978 -12.574 1.00 1.04 C ATOM 1698 C PRO A 108 -8.467 -6.964 -13.490 1.00 1.22 C ATOM 1699 O PRO A 108 -7.282 -6.725 -13.294 1.00 1.08 O ATOM 1700 CB PRO A 108 -9.256 -9.370 -13.218 1.00 1.24 C ATOM 1701 CG PRO A 108 -10.736 -9.558 -13.537 1.00 1.20 C ATOM 1702 CD PRO A 108 -11.446 -8.667 -12.519 1.00 1.06 C ATOM 0 HA PRO A 108 -8.532 -8.005 -11.683 1.00 1.04 H new ATOM 0 HB2 PRO A 108 -8.647 -9.430 -14.120 1.00 1.24 H new ATOM 0 HB3 PRO A 108 -8.897 -10.144 -12.540 1.00 1.24 H new ATOM 0 HG2 PRO A 108 -10.966 -9.258 -14.559 1.00 1.20 H new ATOM 0 HG3 PRO A 108 -11.038 -10.600 -13.435 1.00 1.20 H new ATOM 0 HD2 PRO A 108 -12.377 -8.275 -12.927 1.00 1.06 H new ATOM 0 HD3 PRO A 108 -11.703 -9.229 -11.621 1.00 1.06 H new ATOM 1710 N GLU A 109 -9.173 -6.329 -14.427 1.00 0.94 N ATOM 1711 CA GLU A 109 -8.631 -5.236 -15.253 1.00 0.96 C ATOM 1712 C GLU A 109 -8.241 -4.037 -14.379 1.00 1.11 C ATOM 1713 O GLU A 109 -7.101 -3.592 -14.433 1.00 1.38 O ATOM 1714 CB GLU A 109 -9.567 -4.749 -16.391 1.00 1.09 C ATOM 1715 CG GLU A 109 -10.717 -5.667 -16.822 1.00 1.19 C ATOM 1716 CD GLU A 109 -11.749 -5.781 -15.709 1.00 2.24 C ATOM 1717 OE1 GLU A 109 -12.352 -4.754 -15.339 1.00 3.31 O ATOM 1718 OE2 GLU A 109 -11.820 -6.867 -15.102 1.00 3.01 O ATOM 0 H GLU A 109 -10.144 -6.556 -14.640 1.00 0.94 H new ATOM 0 HA GLU A 109 -7.755 -5.668 -15.738 1.00 0.96 H new ATOM 0 HB2 GLU A 109 -9.998 -3.796 -16.084 1.00 1.09 H new ATOM 0 HB3 GLU A 109 -8.951 -4.552 -17.268 1.00 1.09 H new ATOM 0 HG2 GLU A 109 -11.187 -5.274 -17.724 1.00 1.19 H new ATOM 0 HG3 GLU A 109 -10.329 -6.655 -17.070 1.00 1.19 H new ATOM 1725 N ALA A 110 -9.141 -3.538 -13.520 1.00 0.80 N ATOM 1726 CA ALA A 110 -8.849 -2.417 -12.619 1.00 0.75 C ATOM 1727 C ALA A 110 -7.667 -2.723 -11.678 1.00 0.90 C ATOM 1728 O ALA A 110 -6.766 -1.897 -11.517 1.00 0.92 O ATOM 1729 CB ALA A 110 -10.133 -2.073 -11.852 1.00 0.76 C ATOM 0 H ALA A 110 -10.090 -3.900 -13.431 1.00 0.80 H new ATOM 0 HA ALA A 110 -8.534 -1.551 -13.201 1.00 0.75 H new ATOM 0 HB1 ALA A 110 -9.940 -1.241 -11.175 1.00 0.76 H new ATOM 0 HB2 ALA A 110 -10.915 -1.793 -12.558 1.00 0.76 H new ATOM 0 HB3 ALA A 110 -10.457 -2.941 -11.278 1.00 0.76 H new ATOM 1735 N VAL A 111 -7.627 -3.944 -11.134 1.00 0.70 N ATOM 1736 CA VAL A 111 -6.491 -4.452 -10.345 1.00 0.68 C ATOM 1737 C VAL A 111 -5.187 -4.481 -11.163 1.00 1.07 C ATOM 1738 O VAL A 111 -4.128 -4.201 -10.598 1.00 0.94 O ATOM 1739 CB VAL A 111 -6.826 -5.832 -9.723 1.00 0.67 C ATOM 1740 CG1 VAL A 111 -5.603 -6.571 -9.150 1.00 1.19 C ATOM 1741 CG2 VAL A 111 -7.869 -5.675 -8.603 1.00 1.01 C ATOM 0 H VAL A 111 -8.388 -4.617 -11.228 1.00 0.70 H new ATOM 0 HA VAL A 111 -6.318 -3.756 -9.524 1.00 0.68 H new ATOM 0 HB VAL A 111 -7.217 -6.433 -10.544 1.00 0.67 H new ATOM 0 HG11 VAL A 111 -5.918 -7.527 -8.733 1.00 1.19 H new ATOM 0 HG12 VAL A 111 -4.877 -6.743 -9.944 1.00 1.19 H new ATOM 0 HG13 VAL A 111 -5.147 -5.966 -8.366 1.00 1.19 H new ATOM 0 HG21 VAL A 111 -8.094 -6.652 -8.176 1.00 1.01 H new ATOM 0 HG22 VAL A 111 -7.473 -5.022 -7.826 1.00 1.01 H new ATOM 0 HG23 VAL A 111 -8.780 -5.240 -9.013 1.00 1.01 H new ATOM 1751 N ARG A 112 -5.230 -4.761 -12.477 1.00 0.75 N ATOM 1752 CA ARG A 112 -4.063 -4.647 -13.368 1.00 0.78 C ATOM 1753 C ARG A 112 -3.675 -3.195 -13.632 1.00 1.01 C ATOM 1754 O ARG A 112 -2.502 -2.881 -13.449 1.00 1.17 O ATOM 1755 CB ARG A 112 -4.280 -5.371 -14.708 1.00 0.91 C ATOM 1756 CG ARG A 112 -4.289 -6.891 -14.542 1.00 2.03 C ATOM 1757 CD ARG A 112 -2.903 -7.489 -14.284 1.00 3.09 C ATOM 1758 NE ARG A 112 -3.057 -8.850 -13.756 1.00 4.80 N ATOM 1759 CZ ARG A 112 -2.097 -9.735 -13.540 1.00 6.14 C ATOM 1760 NH1 ARG A 112 -0.834 -9.492 -13.832 1.00 6.41 N ATOM 1761 NH2 ARG A 112 -2.404 -10.896 -13.005 1.00 7.86 N ATOM 0 H ARG A 112 -6.077 -5.073 -12.952 1.00 0.75 H new ATOM 0 HA ARG A 112 -3.244 -5.134 -12.839 1.00 0.78 H new ATOM 0 HB2 ARG A 112 -5.225 -5.048 -15.146 1.00 0.91 H new ATOM 0 HB3 ARG A 112 -3.492 -5.087 -15.405 1.00 0.91 H new ATOM 0 HG2 ARG A 112 -4.948 -7.154 -13.715 1.00 2.03 H new ATOM 0 HG3 ARG A 112 -4.709 -7.344 -15.440 1.00 2.03 H new ATOM 0 HD2 ARG A 112 -2.324 -7.507 -15.207 1.00 3.09 H new ATOM 0 HD3 ARG A 112 -2.353 -6.871 -13.575 1.00 3.09 H new ATOM 0 HE ARG A 112 -4.007 -9.146 -13.531 1.00 4.80 H new ATOM 0 HH11 ARG A 112 -0.568 -8.596 -14.240 1.00 6.41 H new ATOM 0 HH12 ARG A 112 -0.123 -10.201 -13.650 1.00 6.41 H new ATOM 0 HH21 ARG A 112 -3.372 -11.105 -12.762 1.00 7.86 H new ATOM 0 HH22 ARG A 112 -1.674 -11.587 -12.833 1.00 7.86 H new ATOM 1775 N GLU A 113 -4.612 -2.324 -14.001 1.00 0.72 N ATOM 1776 CA GLU A 113 -4.325 -0.908 -14.278 1.00 0.73 C ATOM 1777 C GLU A 113 -3.547 -0.243 -13.136 1.00 1.00 C ATOM 1778 O GLU A 113 -2.487 0.344 -13.353 1.00 1.04 O ATOM 1779 CB GLU A 113 -5.602 -0.123 -14.561 1.00 0.88 C ATOM 1780 CG GLU A 113 -6.278 -0.549 -15.864 1.00 1.28 C ATOM 1781 CD GLU A 113 -5.339 -0.583 -17.069 1.00 2.28 C ATOM 1782 OE1 GLU A 113 -5.202 0.476 -17.717 1.00 2.63 O ATOM 1783 OE2 GLU A 113 -4.749 -1.662 -17.305 1.00 3.46 O ATOM 0 H GLU A 113 -5.594 -2.575 -14.118 1.00 0.72 H new ATOM 0 HA GLU A 113 -3.699 -0.891 -15.170 1.00 0.73 H new ATOM 0 HB2 GLU A 113 -6.298 -0.259 -13.734 1.00 0.88 H new ATOM 0 HB3 GLU A 113 -5.367 0.940 -14.609 1.00 0.88 H new ATOM 0 HG2 GLU A 113 -6.714 -1.539 -15.728 1.00 1.28 H new ATOM 0 HG3 GLU A 113 -7.100 0.135 -16.076 1.00 1.28 H new ATOM 1790 N ALA A 114 -4.020 -0.402 -11.896 1.00 0.59 N ATOM 1791 CA ALA A 114 -3.320 0.086 -10.708 1.00 0.58 C ATOM 1792 C ALA A 114 -1.951 -0.591 -10.502 1.00 0.82 C ATOM 1793 O ALA A 114 -0.955 0.088 -10.249 1.00 0.93 O ATOM 1794 CB ALA A 114 -4.243 -0.136 -9.507 1.00 0.66 C ATOM 0 H ALA A 114 -4.901 -0.874 -11.690 1.00 0.59 H new ATOM 0 HA ALA A 114 -3.097 1.146 -10.830 1.00 0.58 H new ATOM 0 HB1 ALA A 114 -3.752 0.217 -8.600 1.00 0.66 H new ATOM 0 HB2 ALA A 114 -5.172 0.415 -9.655 1.00 0.66 H new ATOM 0 HB3 ALA A 114 -4.464 -1.199 -9.409 1.00 0.66 H new ATOM 1800 N ALA A 115 -1.879 -1.920 -10.619 1.00 0.50 N ATOM 1801 CA ALA A 115 -0.667 -2.679 -10.330 1.00 0.60 C ATOM 1802 C ALA A 115 0.468 -2.344 -11.302 1.00 0.88 C ATOM 1803 O ALA A 115 1.597 -2.075 -10.879 1.00 0.99 O ATOM 1804 CB ALA A 115 -1.009 -4.170 -10.375 1.00 0.71 C ATOM 0 H ALA A 115 -2.664 -2.498 -10.918 1.00 0.50 H new ATOM 0 HA ALA A 115 -0.307 -2.408 -9.338 1.00 0.60 H new ATOM 0 HB1 ALA A 115 -0.115 -4.755 -10.161 1.00 0.71 H new ATOM 0 HB2 ALA A 115 -1.774 -4.391 -9.630 1.00 0.71 H new ATOM 0 HB3 ALA A 115 -1.383 -4.428 -11.366 1.00 0.71 H new ATOM 1810 N GLN A 116 0.163 -2.331 -12.601 1.00 0.73 N ATOM 1811 CA GLN A 116 1.132 -2.036 -13.644 1.00 0.90 C ATOM 1812 C GLN A 116 1.571 -0.568 -13.615 1.00 1.18 C ATOM 1813 O GLN A 116 2.735 -0.300 -13.907 1.00 1.29 O ATOM 1814 CB GLN A 116 0.565 -2.415 -15.023 1.00 1.18 C ATOM 1815 CG GLN A 116 0.159 -3.893 -15.196 1.00 1.80 C ATOM 1816 CD GLN A 116 1.221 -4.944 -14.863 1.00 3.26 C ATOM 1817 OE1 GLN A 116 0.904 -6.059 -14.457 1.00 3.71 O ATOM 1818 NE2 GLN A 116 2.497 -4.660 -15.032 1.00 4.50 N ATOM 0 H GLN A 116 -0.773 -2.527 -12.956 1.00 0.73 H new ATOM 0 HA GLN A 116 2.020 -2.639 -13.454 1.00 0.90 H new ATOM 0 HB2 GLN A 116 -0.307 -1.792 -15.220 1.00 1.18 H new ATOM 0 HB3 GLN A 116 1.309 -2.171 -15.781 1.00 1.18 H new ATOM 0 HG2 GLN A 116 -0.713 -4.081 -14.570 1.00 1.80 H new ATOM 0 HG3 GLN A 116 -0.153 -4.041 -16.230 1.00 1.80 H new ATOM 0 HE21 GLN A 116 2.774 -3.738 -15.369 1.00 4.50 H new ATOM 0 HE22 GLN A 116 3.207 -5.362 -14.826 1.00 4.50 H new ATOM 1827 N THR A 117 0.683 0.355 -13.210 1.00 0.64 N ATOM 1828 CA THR A 117 0.991 1.786 -13.056 1.00 0.67 C ATOM 1829 C THR A 117 1.977 2.040 -11.919 1.00 0.98 C ATOM 1830 O THR A 117 2.850 2.897 -12.067 1.00 0.97 O ATOM 1831 CB THR A 117 -0.305 2.587 -12.862 1.00 0.79 C ATOM 1832 OG1 THR A 117 -1.048 2.458 -14.046 1.00 1.19 O ATOM 1833 CG2 THR A 117 -0.076 4.081 -12.643 1.00 0.97 C ATOM 0 H THR A 117 -0.283 0.124 -12.977 1.00 0.64 H new ATOM 0 HA THR A 117 1.477 2.125 -13.971 1.00 0.67 H new ATOM 0 HB THR A 117 -0.803 2.196 -11.975 1.00 0.79 H new ATOM 0 HG1 THR A 117 -1.723 1.757 -13.934 1.00 1.19 H new ATOM 0 HG21 THR A 117 -1.036 4.581 -12.514 1.00 0.97 H new ATOM 0 HG22 THR A 117 0.533 4.229 -11.751 1.00 0.97 H new ATOM 0 HG23 THR A 117 0.438 4.501 -13.507 1.00 0.97 H new ATOM 1841 N PHE A 118 1.853 1.329 -10.795 1.00 0.70 N ATOM 1842 CA PHE A 118 2.821 1.358 -9.692 1.00 0.85 C ATOM 1843 C PHE A 118 4.136 0.618 -9.999 1.00 1.72 C ATOM 1844 O PHE A 118 5.211 1.179 -9.781 1.00 2.08 O ATOM 1845 CB PHE A 118 2.142 0.833 -8.416 1.00 0.85 C ATOM 1846 CG PHE A 118 1.445 1.929 -7.637 1.00 0.97 C ATOM 1847 CD1 PHE A 118 2.225 2.837 -6.905 1.00 1.97 C ATOM 1848 CD2 PHE A 118 0.045 2.071 -7.648 1.00 2.10 C ATOM 1849 CE1 PHE A 118 1.620 3.874 -6.182 1.00 1.95 C ATOM 1850 CE2 PHE A 118 -0.561 3.122 -6.939 1.00 2.12 C ATOM 1851 CZ PHE A 118 0.226 4.026 -6.203 1.00 1.25 C ATOM 0 H PHE A 118 1.064 0.706 -10.622 1.00 0.70 H new ATOM 0 HA PHE A 118 3.125 2.394 -9.543 1.00 0.85 H new ATOM 0 HB2 PHE A 118 1.417 0.065 -8.684 1.00 0.85 H new ATOM 0 HB3 PHE A 118 2.889 0.358 -7.780 1.00 0.85 H new ATOM 0 HD1 PHE A 118 3.300 2.736 -6.899 1.00 1.97 H new ATOM 0 HD2 PHE A 118 -0.564 1.372 -8.202 1.00 2.10 H new ATOM 0 HE1 PHE A 118 2.228 4.557 -5.608 1.00 1.95 H new ATOM 0 HE2 PHE A 118 -1.635 3.236 -6.959 1.00 2.12 H new ATOM 0 HZ PHE A 118 -0.241 4.833 -5.657 1.00 1.25 H new ATOM 1861 N GLY A 119 4.043 -0.622 -10.498 1.00 1.09 N ATOM 1862 CA GLY A 119 5.173 -1.495 -10.877 1.00 1.15 C ATOM 1863 C GLY A 119 5.117 -2.914 -10.301 1.00 1.12 C ATOM 1864 O GLY A 119 6.136 -3.598 -10.260 1.00 1.18 O ATOM 0 H GLY A 119 3.140 -1.068 -10.657 1.00 1.09 H new ATOM 0 HA2 GLY A 119 5.212 -1.562 -11.964 1.00 1.15 H new ATOM 0 HA3 GLY A 119 6.101 -1.024 -10.553 1.00 1.15 H new ATOM 1868 N VAL A 120 3.946 -3.347 -9.838 1.00 0.87 N ATOM 1869 CA VAL A 120 3.675 -4.654 -9.201 1.00 0.82 C ATOM 1870 C VAL A 120 2.923 -5.564 -10.177 1.00 0.91 C ATOM 1871 O VAL A 120 2.293 -5.093 -11.124 1.00 1.08 O ATOM 1872 CB VAL A 120 2.974 -4.490 -7.821 1.00 1.24 C ATOM 1873 CG1 VAL A 120 1.975 -3.336 -7.766 1.00 2.37 C ATOM 1874 CG2 VAL A 120 2.199 -5.714 -7.310 1.00 2.40 C ATOM 0 H VAL A 120 3.107 -2.770 -9.896 1.00 0.87 H new ATOM 0 HA VAL A 120 4.621 -5.147 -8.975 1.00 0.82 H new ATOM 0 HB VAL A 120 3.842 -4.310 -7.186 1.00 1.24 H new ATOM 0 HG11 VAL A 120 1.529 -3.288 -6.772 1.00 2.37 H new ATOM 0 HG12 VAL A 120 2.489 -2.399 -7.979 1.00 2.37 H new ATOM 0 HG13 VAL A 120 1.192 -3.497 -8.507 1.00 2.37 H new ATOM 0 HG21 VAL A 120 1.753 -5.484 -6.342 1.00 2.40 H new ATOM 0 HG22 VAL A 120 1.413 -5.969 -8.020 1.00 2.40 H new ATOM 0 HG23 VAL A 120 2.880 -6.558 -7.205 1.00 2.40 H new ATOM 1884 N PHE A 121 3.034 -6.880 -9.977 1.00 0.95 N ATOM 1885 CA PHE A 121 2.624 -7.908 -10.928 1.00 0.94 C ATOM 1886 C PHE A 121 2.254 -9.217 -10.219 1.00 1.70 C ATOM 1887 O PHE A 121 2.753 -9.525 -9.136 1.00 1.72 O ATOM 1888 CB PHE A 121 3.749 -8.097 -11.965 1.00 1.01 C ATOM 1889 CG PHE A 121 5.144 -8.266 -11.378 1.00 0.96 C ATOM 1890 CD1 PHE A 121 5.941 -7.134 -11.106 1.00 1.99 C ATOM 1891 CD2 PHE A 121 5.641 -9.551 -11.084 1.00 2.07 C ATOM 1892 CE1 PHE A 121 7.215 -7.285 -10.532 1.00 1.96 C ATOM 1893 CE2 PHE A 121 6.927 -9.700 -10.528 1.00 1.85 C ATOM 1894 CZ PHE A 121 7.712 -8.569 -10.249 1.00 1.01 C ATOM 0 H PHE A 121 3.425 -7.269 -9.119 1.00 0.95 H new ATOM 0 HA PHE A 121 1.720 -7.589 -11.446 1.00 0.94 H new ATOM 0 HB2 PHE A 121 3.519 -8.972 -12.573 1.00 1.01 H new ATOM 0 HB3 PHE A 121 3.754 -7.236 -12.634 1.00 1.01 H new ATOM 0 HD1 PHE A 121 5.570 -6.147 -11.340 1.00 1.99 H new ATOM 0 HD2 PHE A 121 5.036 -10.423 -11.285 1.00 2.07 H new ATOM 0 HE1 PHE A 121 7.813 -6.414 -10.308 1.00 1.96 H new ATOM 0 HE2 PHE A 121 7.310 -10.687 -10.316 1.00 1.85 H new ATOM 0 HZ PHE A 121 8.695 -8.686 -9.818 1.00 1.01 H new ATOM 1904 N TYR A 122 1.354 -9.981 -10.850 1.00 0.74 N ATOM 1905 CA TYR A 122 0.812 -11.233 -10.299 1.00 0.73 C ATOM 1906 C TYR A 122 0.794 -12.352 -11.357 1.00 1.09 C ATOM 1907 O TYR A 122 0.188 -12.172 -12.425 1.00 1.22 O ATOM 1908 CB TYR A 122 -0.606 -11.009 -9.724 1.00 0.93 C ATOM 1909 CG TYR A 122 -0.873 -9.639 -9.120 1.00 1.49 C ATOM 1910 CD1 TYR A 122 -0.170 -9.228 -7.975 1.00 3.64 C ATOM 1911 CD2 TYR A 122 -1.784 -8.755 -9.737 1.00 1.91 C ATOM 1912 CE1 TYR A 122 -0.355 -7.939 -7.452 1.00 5.17 C ATOM 1913 CE2 TYR A 122 -1.972 -7.458 -9.224 1.00 3.17 C ATOM 1914 CZ TYR A 122 -1.254 -7.049 -8.077 1.00 4.68 C ATOM 1915 OH TYR A 122 -1.410 -5.795 -7.586 1.00 6.29 O ATOM 0 H TYR A 122 0.976 -9.746 -11.768 1.00 0.74 H new ATOM 0 HA TYR A 122 1.470 -11.549 -9.489 1.00 0.73 H new ATOM 0 HB2 TYR A 122 -1.330 -11.180 -10.520 1.00 0.93 H new ATOM 0 HB3 TYR A 122 -0.789 -11.763 -8.959 1.00 0.93 H new ATOM 0 HD1 TYR A 122 0.517 -9.909 -7.494 1.00 3.64 H new ATOM 0 HD2 TYR A 122 -2.339 -9.075 -10.606 1.00 1.91 H new ATOM 0 HE1 TYR A 122 0.190 -7.629 -6.573 1.00 5.17 H new ATOM 0 HE2 TYR A 122 -2.661 -6.779 -9.704 1.00 3.17 H new ATOM 0 HH TYR A 122 -1.014 -5.742 -6.691 1.00 6.29 H new ATOM 1925 N GLN A 123 1.424 -13.492 -11.062 1.00 0.91 N ATOM 1926 CA GLN A 123 1.310 -14.752 -11.819 1.00 1.15 C ATOM 1927 C GLN A 123 0.359 -15.688 -11.039 1.00 1.12 C ATOM 1928 O GLN A 123 -0.125 -15.311 -9.977 1.00 1.42 O ATOM 1929 CB GLN A 123 2.731 -15.339 -12.007 1.00 1.45 C ATOM 1930 CG GLN A 123 2.883 -16.452 -13.067 1.00 2.38 C ATOM 1931 CD GLN A 123 4.173 -17.263 -12.909 1.00 3.38 C ATOM 1932 OE1 GLN A 123 5.013 -17.313 -13.791 1.00 3.90 O ATOM 1933 NE2 GLN A 123 4.362 -17.952 -11.806 1.00 4.31 N ATOM 0 H GLN A 123 2.051 -13.571 -10.262 1.00 0.91 H new ATOM 0 HA GLN A 123 0.889 -14.608 -12.814 1.00 1.15 H new ATOM 0 HB2 GLN A 123 3.405 -14.524 -12.270 1.00 1.45 H new ATOM 0 HB3 GLN A 123 3.067 -15.733 -11.048 1.00 1.45 H new ATOM 0 HG2 GLN A 123 2.028 -17.125 -13.003 1.00 2.38 H new ATOM 0 HG3 GLN A 123 2.862 -16.004 -14.060 1.00 2.38 H new ATOM 0 HE21 GLN A 123 3.668 -17.920 -11.059 1.00 4.31 H new ATOM 0 HE22 GLN A 123 5.203 -18.519 -11.697 1.00 4.31 H new ATOM 1942 N LYS A 124 0.068 -16.900 -11.527 1.00 1.37 N ATOM 1943 CA LYS A 124 -0.415 -17.976 -10.649 1.00 1.40 C ATOM 1944 C LYS A 124 0.189 -19.337 -11.050 1.00 1.82 C ATOM 1945 O LYS A 124 0.214 -19.679 -12.235 1.00 2.19 O ATOM 1946 CB LYS A 124 -1.957 -17.955 -10.508 1.00 1.43 C ATOM 1947 CG LYS A 124 -2.780 -18.738 -11.537 1.00 2.28 C ATOM 1948 CD LYS A 124 -2.719 -18.161 -12.955 1.00 3.63 C ATOM 1949 CE LYS A 124 -3.528 -19.085 -13.872 1.00 4.92 C ATOM 1950 NZ LYS A 124 -3.603 -18.588 -15.263 1.00 6.62 N ATOM 0 H LYS A 124 0.156 -17.159 -12.510 1.00 1.37 H new ATOM 0 HA LYS A 124 -0.051 -17.795 -9.638 1.00 1.40 H new ATOM 0 HB2 LYS A 124 -2.208 -18.337 -9.518 1.00 1.43 H new ATOM 0 HB3 LYS A 124 -2.282 -16.915 -10.541 1.00 1.43 H new ATOM 0 HG2 LYS A 124 -2.427 -19.769 -11.560 1.00 2.28 H new ATOM 0 HG3 LYS A 124 -3.820 -18.764 -11.211 1.00 2.28 H new ATOM 0 HD2 LYS A 124 -3.128 -17.151 -12.974 1.00 3.63 H new ATOM 0 HD3 LYS A 124 -1.686 -18.094 -13.296 1.00 3.63 H new ATOM 0 HE2 LYS A 124 -3.078 -20.078 -13.869 1.00 4.92 H new ATOM 0 HE3 LYS A 124 -4.537 -19.192 -13.474 1.00 4.92 H new ATOM 0 HZ1 LYS A 124 -4.161 -19.250 -15.839 1.00 6.62 H new ATOM 0 HZ2 LYS A 124 -4.058 -17.653 -15.273 1.00 6.62 H new ATOM 0 HZ3 LYS A 124 -2.643 -18.511 -15.656 1.00 6.62 H new ATOM 2120 N VAL A 135 -1.534 -18.165 -6.162 1.00 1.38 N ATOM 2121 CA VAL A 135 -1.330 -16.871 -6.829 1.00 1.20 C ATOM 2122 C VAL A 135 -0.001 -16.281 -6.351 1.00 1.35 C ATOM 2123 O VAL A 135 0.254 -16.195 -5.149 1.00 1.44 O ATOM 2124 CB VAL A 135 -2.539 -15.929 -6.610 1.00 1.39 C ATOM 2125 CG1 VAL A 135 -2.919 -15.722 -5.131 1.00 2.04 C ATOM 2126 CG2 VAL A 135 -2.343 -14.572 -7.306 1.00 2.02 C ATOM 0 HA VAL A 135 -1.269 -17.006 -7.909 1.00 1.20 H new ATOM 0 HB VAL A 135 -3.378 -16.447 -7.074 1.00 1.39 H new ATOM 0 HG11 VAL A 135 -3.775 -15.050 -5.066 1.00 2.04 H new ATOM 0 HG12 VAL A 135 -3.177 -16.682 -4.684 1.00 2.04 H new ATOM 0 HG13 VAL A 135 -2.075 -15.288 -4.596 1.00 2.04 H new ATOM 0 HG21 VAL A 135 -3.214 -13.942 -7.127 1.00 2.02 H new ATOM 0 HG22 VAL A 135 -1.454 -14.084 -6.907 1.00 2.02 H new ATOM 0 HG23 VAL A 135 -2.222 -14.727 -8.378 1.00 2.02 H new ATOM 2136 N ASP A 136 0.859 -15.921 -7.305 1.00 0.87 N ATOM 2137 CA ASP A 136 2.234 -15.484 -7.054 1.00 0.90 C ATOM 2138 C ASP A 136 2.292 -13.946 -7.138 1.00 0.99 C ATOM 2139 O ASP A 136 2.254 -13.375 -8.230 1.00 1.23 O ATOM 2140 CB ASP A 136 3.219 -16.156 -8.039 1.00 1.23 C ATOM 2141 CG ASP A 136 2.903 -17.612 -8.430 1.00 2.90 C ATOM 2142 OD1 ASP A 136 3.028 -18.514 -7.577 1.00 3.92 O ATOM 2143 OD2 ASP A 136 2.589 -17.837 -9.627 1.00 3.87 O ATOM 0 H ASP A 136 0.614 -15.925 -8.295 1.00 0.87 H new ATOM 0 HA ASP A 136 2.540 -15.791 -6.054 1.00 0.90 H new ATOM 0 HB2 ASP A 136 3.255 -15.557 -8.949 1.00 1.23 H new ATOM 0 HB3 ASP A 136 4.216 -16.128 -7.599 1.00 1.23 H new ATOM 2148 N HIS A 137 2.337 -13.257 -5.992 1.00 0.86 N ATOM 2149 CA HIS A 137 2.099 -11.805 -5.903 1.00 0.95 C ATOM 2150 C HIS A 137 3.271 -10.974 -5.315 1.00 1.18 C ATOM 2151 O HIS A 137 3.780 -11.274 -4.228 1.00 1.38 O ATOM 2152 CB HIS A 137 0.778 -11.585 -5.129 1.00 1.21 C ATOM 2153 CG HIS A 137 0.670 -12.224 -3.756 1.00 1.73 C ATOM 2154 ND1 HIS A 137 1.665 -12.320 -2.812 1.00 2.64 N ATOM 2155 CD2 HIS A 137 -0.454 -12.780 -3.195 1.00 2.32 C ATOM 2156 CE1 HIS A 137 1.156 -12.897 -1.713 1.00 2.99 C ATOM 2157 NE2 HIS A 137 -0.143 -13.191 -1.890 1.00 2.69 N ATOM 0 H HIS A 137 2.541 -13.691 -5.092 1.00 0.86 H new ATOM 0 HA HIS A 137 2.021 -11.423 -6.921 1.00 0.95 H new ATOM 0 HB2 HIS A 137 0.626 -10.512 -5.016 1.00 1.21 H new ATOM 0 HB3 HIS A 137 -0.041 -11.960 -5.743 1.00 1.21 H new ATOM 0 HD1 HIS A 137 2.628 -12.005 -2.928 1.00 2.64 H new ATOM 0 HD2 HIS A 137 -1.415 -12.883 -3.677 1.00 2.32 H new ATOM 0 HE1 HIS A 137 1.714 -13.098 -0.810 1.00 2.99 H new ATOM 2166 N THR A 138 3.675 -9.888 -6.003 1.00 0.86 N ATOM 2167 CA THR A 138 4.758 -8.989 -5.553 1.00 0.87 C ATOM 2168 C THR A 138 4.265 -8.101 -4.406 1.00 1.23 C ATOM 2169 O THR A 138 3.677 -7.046 -4.645 1.00 1.94 O ATOM 2170 CB THR A 138 5.314 -8.146 -6.716 1.00 0.90 C ATOM 2171 OG1 THR A 138 5.512 -8.967 -7.836 1.00 1.70 O ATOM 2172 CG2 THR A 138 6.658 -7.506 -6.386 1.00 1.32 C ATOM 0 H THR A 138 3.258 -9.608 -6.891 1.00 0.86 H new ATOM 0 HA THR A 138 5.580 -9.603 -5.185 1.00 0.87 H new ATOM 0 HB THR A 138 4.584 -7.359 -6.907 1.00 0.90 H new ATOM 0 HG1 THR A 138 6.225 -8.593 -8.394 1.00 1.70 H new ATOM 0 HG21 THR A 138 7.003 -6.924 -7.240 1.00 1.32 H new ATOM 0 HG22 THR A 138 6.547 -6.851 -5.522 1.00 1.32 H new ATOM 0 HG23 THR A 138 7.386 -8.285 -6.160 1.00 1.32 H new ATOM 2180 N ALA A 139 4.522 -8.520 -3.164 1.00 0.80 N ATOM 2181 CA ALA A 139 4.075 -7.862 -1.925 1.00 0.87 C ATOM 2182 C ALA A 139 4.825 -6.537 -1.640 1.00 0.94 C ATOM 2183 O ALA A 139 5.674 -6.443 -0.748 1.00 1.28 O ATOM 2184 CB ALA A 139 4.162 -8.881 -0.775 1.00 1.24 C ATOM 0 H ALA A 139 5.069 -9.361 -2.983 1.00 0.80 H new ATOM 0 HA ALA A 139 3.036 -7.550 -2.035 1.00 0.87 H new ATOM 0 HB1 ALA A 139 3.835 -8.412 0.153 1.00 1.24 H new ATOM 0 HB2 ALA A 139 3.521 -9.734 -0.996 1.00 1.24 H new ATOM 0 HB3 ALA A 139 5.192 -9.220 -0.666 1.00 1.24 H new ATOM 2190 N THR A 140 4.527 -5.531 -2.469 1.00 0.80 N ATOM 2191 CA THR A 140 5.261 -4.262 -2.602 1.00 0.80 C ATOM 2192 C THR A 140 4.529 -3.119 -1.910 1.00 0.85 C ATOM 2193 O THR A 140 3.297 -3.081 -1.919 1.00 1.19 O ATOM 2194 CB THR A 140 5.451 -3.894 -4.081 1.00 1.22 C ATOM 2195 OG1 THR A 140 5.745 -5.041 -4.830 1.00 1.98 O ATOM 2196 CG2 THR A 140 6.619 -2.929 -4.290 1.00 1.07 C ATOM 0 H THR A 140 3.726 -5.580 -3.099 1.00 0.80 H new ATOM 0 HA THR A 140 6.231 -4.407 -2.127 1.00 0.80 H new ATOM 0 HB THR A 140 4.520 -3.426 -4.401 1.00 1.22 H new ATOM 0 HG1 THR A 140 4.955 -5.620 -4.865 1.00 1.98 H new ATOM 0 HG21 THR A 140 6.714 -2.698 -5.351 1.00 1.07 H new ATOM 0 HG22 THR A 140 6.436 -2.010 -3.733 1.00 1.07 H new ATOM 0 HG23 THR A 140 7.540 -3.391 -3.935 1.00 1.07 H new ATOM 2204 N THR A 141 5.280 -2.174 -1.333 1.00 0.57 N ATOM 2205 CA THR A 141 4.788 -0.897 -0.799 1.00 0.51 C ATOM 2206 C THR A 141 5.289 0.245 -1.679 1.00 0.85 C ATOM 2207 O THR A 141 6.432 0.218 -2.143 1.00 0.97 O ATOM 2208 CB THR A 141 5.269 -0.709 0.642 1.00 0.55 C ATOM 2209 OG1 THR A 141 4.742 -1.737 1.436 1.00 1.16 O ATOM 2210 CG2 THR A 141 4.846 0.613 1.286 1.00 1.25 C ATOM 0 H THR A 141 6.288 -2.282 -1.220 1.00 0.57 H new ATOM 0 HA THR A 141 3.698 -0.899 -0.800 1.00 0.51 H new ATOM 0 HB THR A 141 6.358 -0.718 0.590 1.00 0.55 H new ATOM 0 HG1 THR A 141 3.904 -2.057 1.042 1.00 1.16 H new ATOM 0 HG21 THR A 141 5.230 0.661 2.305 1.00 1.25 H new ATOM 0 HG22 THR A 141 5.248 1.445 0.707 1.00 1.25 H new ATOM 0 HG23 THR A 141 3.758 0.677 1.305 1.00 1.25 H new ATOM 2218 N PHE A 142 4.451 1.263 -1.888 1.00 0.54 N ATOM 2219 CA PHE A 142 4.738 2.423 -2.735 1.00 0.54 C ATOM 2220 C PHE A 142 4.306 3.727 -2.054 1.00 1.79 C ATOM 2221 O PHE A 142 3.172 3.832 -1.587 1.00 2.12 O ATOM 2222 CB PHE A 142 3.969 2.298 -4.054 1.00 0.56 C ATOM 2223 CG PHE A 142 4.184 1.009 -4.816 1.00 0.70 C ATOM 2224 CD1 PHE A 142 5.208 0.915 -5.772 1.00 1.83 C ATOM 2225 CD2 PHE A 142 3.330 -0.083 -4.597 1.00 1.83 C ATOM 2226 CE1 PHE A 142 5.374 -0.259 -6.522 1.00 1.62 C ATOM 2227 CE2 PHE A 142 3.489 -1.255 -5.348 1.00 1.93 C ATOM 2228 CZ PHE A 142 4.508 -1.344 -6.315 1.00 0.95 C ATOM 0 H PHE A 142 3.526 1.304 -1.460 1.00 0.54 H new ATOM 0 HA PHE A 142 5.813 2.448 -2.912 1.00 0.54 H new ATOM 0 HB2 PHE A 142 2.904 2.402 -3.844 1.00 0.56 H new ATOM 0 HB3 PHE A 142 4.250 3.131 -4.698 1.00 0.56 H new ATOM 0 HD1 PHE A 142 5.872 1.752 -5.931 1.00 1.83 H new ATOM 0 HD2 PHE A 142 2.552 -0.020 -3.851 1.00 1.83 H new ATOM 0 HE1 PHE A 142 6.164 -0.328 -7.255 1.00 1.62 H new ATOM 0 HE2 PHE A 142 2.828 -2.093 -5.184 1.00 1.93 H new ATOM 0 HZ PHE A 142 4.623 -2.246 -6.897 1.00 0.95 H new ATOM 2238 N VAL A 143 5.175 4.740 -2.049 1.00 0.54 N ATOM 2239 CA VAL A 143 4.865 6.043 -1.433 1.00 0.56 C ATOM 2240 C VAL A 143 4.674 7.105 -2.509 1.00 0.82 C ATOM 2241 O VAL A 143 5.537 7.303 -3.368 1.00 1.00 O ATOM 2242 CB VAL A 143 5.917 6.484 -0.391 1.00 0.62 C ATOM 2243 CG1 VAL A 143 5.450 7.775 0.308 1.00 0.74 C ATOM 2244 CG2 VAL A 143 6.095 5.395 0.677 1.00 0.95 C ATOM 0 H VAL A 143 6.105 4.688 -2.465 1.00 0.54 H new ATOM 0 HA VAL A 143 3.931 5.923 -0.885 1.00 0.56 H new ATOM 0 HB VAL A 143 6.862 6.654 -0.908 1.00 0.62 H new ATOM 0 HG11 VAL A 143 6.195 8.082 1.042 1.00 0.74 H new ATOM 0 HG12 VAL A 143 5.324 8.565 -0.433 1.00 0.74 H new ATOM 0 HG13 VAL A 143 4.500 7.594 0.810 1.00 0.74 H new ATOM 0 HG21 VAL A 143 6.839 5.718 1.405 1.00 0.95 H new ATOM 0 HG22 VAL A 143 5.145 5.221 1.182 1.00 0.95 H new ATOM 0 HG23 VAL A 143 6.428 4.472 0.203 1.00 0.95 H new ATOM 2254 N VAL A 144 3.524 7.778 -2.444 1.00 0.57 N ATOM 2255 CA VAL A 144 3.096 8.829 -3.386 1.00 0.61 C ATOM 2256 C VAL A 144 2.732 10.125 -2.658 1.00 0.99 C ATOM 2257 O VAL A 144 2.065 10.119 -1.626 1.00 0.95 O ATOM 2258 CB VAL A 144 1.889 8.386 -4.244 1.00 0.69 C ATOM 2259 CG1 VAL A 144 1.439 9.474 -5.239 1.00 1.64 C ATOM 2260 CG2 VAL A 144 2.231 7.112 -5.024 1.00 1.65 C ATOM 0 H VAL A 144 2.837 7.605 -1.711 1.00 0.57 H new ATOM 0 HA VAL A 144 3.949 9.007 -4.041 1.00 0.61 H new ATOM 0 HB VAL A 144 1.067 8.200 -3.552 1.00 0.69 H new ATOM 0 HG11 VAL A 144 0.589 9.110 -5.816 1.00 1.64 H new ATOM 0 HG12 VAL A 144 1.149 10.371 -4.691 1.00 1.64 H new ATOM 0 HG13 VAL A 144 2.261 9.711 -5.915 1.00 1.64 H new ATOM 0 HG21 VAL A 144 1.372 6.811 -5.624 1.00 1.65 H new ATOM 0 HG22 VAL A 144 3.082 7.303 -5.678 1.00 1.65 H new ATOM 0 HG23 VAL A 144 2.483 6.314 -4.325 1.00 1.65 H new ATOM 2270 N LYS A 145 3.139 11.239 -3.266 1.00 0.79 N ATOM 2271 CA LYS A 145 2.823 12.624 -2.906 1.00 0.87 C ATOM 2272 C LYS A 145 2.578 13.422 -4.206 1.00 1.14 C ATOM 2273 O LYS A 145 3.198 13.107 -5.216 1.00 1.35 O ATOM 2274 CB LYS A 145 4.043 13.145 -2.123 1.00 0.95 C ATOM 2275 CG LYS A 145 3.928 14.578 -1.586 1.00 1.23 C ATOM 2276 CD LYS A 145 5.263 14.961 -0.925 1.00 1.69 C ATOM 2277 CE LYS A 145 5.164 16.274 -0.142 1.00 1.77 C ATOM 2278 NZ LYS A 145 6.485 16.662 0.407 1.00 2.29 N ATOM 0 H LYS A 145 3.744 11.195 -4.086 1.00 0.79 H new ATOM 0 HA LYS A 145 1.926 12.719 -2.294 1.00 0.87 H new ATOM 0 HB2 LYS A 145 4.225 12.475 -1.282 1.00 0.95 H new ATOM 0 HB3 LYS A 145 4.918 13.089 -2.771 1.00 0.95 H new ATOM 0 HG2 LYS A 145 3.695 15.269 -2.397 1.00 1.23 H new ATOM 0 HG3 LYS A 145 3.114 14.648 -0.864 1.00 1.23 H new ATOM 0 HD2 LYS A 145 5.577 14.162 -0.253 1.00 1.69 H new ATOM 0 HD3 LYS A 145 6.033 15.054 -1.691 1.00 1.69 H new ATOM 0 HE2 LYS A 145 4.790 17.064 -0.794 1.00 1.77 H new ATOM 0 HE3 LYS A 145 4.446 16.165 0.671 1.00 1.77 H new ATOM 0 HZ1 LYS A 145 6.350 17.280 1.232 1.00 2.29 H new ATOM 0 HZ2 LYS A 145 7.005 15.809 0.695 1.00 2.29 H new ATOM 0 HZ3 LYS A 145 7.028 17.169 -0.321 1.00 2.29 H new ATOM 2292 N GLU A 146 1.663 14.398 -4.220 1.00 1.04 N ATOM 2293 CA GLU A 146 1.399 15.370 -5.308 1.00 1.15 C ATOM 2294 C GLU A 146 0.945 14.770 -6.668 1.00 1.53 C ATOM 2295 O GLU A 146 0.762 15.516 -7.628 1.00 1.83 O ATOM 2296 CB GLU A 146 2.547 16.406 -5.425 1.00 1.21 C ATOM 2297 CG GLU A 146 3.604 16.099 -6.494 1.00 2.57 C ATOM 2298 CD GLU A 146 4.927 16.829 -6.279 1.00 2.27 C ATOM 2299 OE1 GLU A 146 5.096 17.976 -6.738 1.00 2.59 O ATOM 2300 OE2 GLU A 146 5.888 16.162 -5.837 1.00 2.71 O ATOM 0 H GLU A 146 1.043 14.547 -3.424 1.00 1.04 H new ATOM 0 HA GLU A 146 0.502 15.905 -4.998 1.00 1.15 H new ATOM 0 HB2 GLU A 146 2.112 17.382 -5.638 1.00 1.21 H new ATOM 0 HB3 GLU A 146 3.044 16.483 -4.458 1.00 1.21 H new ATOM 0 HG2 GLU A 146 3.791 15.025 -6.509 1.00 2.57 H new ATOM 0 HG3 GLU A 146 3.206 16.368 -7.473 1.00 2.57 H new ATOM 2307 N GLY A 147 0.758 13.445 -6.769 1.00 1.32 N ATOM 2308 CA GLY A 147 0.475 12.725 -8.024 1.00 1.45 C ATOM 2309 C GLY A 147 1.675 11.962 -8.609 1.00 1.34 C ATOM 2310 O GLY A 147 1.607 11.473 -9.741 1.00 1.42 O ATOM 0 H GLY A 147 0.800 12.826 -5.959 1.00 1.32 H new ATOM 0 HA2 GLY A 147 -0.337 12.019 -7.847 1.00 1.45 H new ATOM 0 HA3 GLY A 147 0.119 13.440 -8.766 1.00 1.45 H new ATOM 2314 N ARG A 148 2.785 11.830 -7.868 1.00 1.06 N ATOM 2315 CA ARG A 148 3.975 11.080 -8.301 1.00 0.91 C ATOM 2316 C ARG A 148 4.640 10.261 -7.189 1.00 1.09 C ATOM 2317 O ARG A 148 4.690 10.622 -6.016 1.00 1.31 O ATOM 2318 CB ARG A 148 4.984 11.981 -9.033 1.00 1.11 C ATOM 2319 CG ARG A 148 5.258 13.297 -8.322 1.00 1.42 C ATOM 2320 CD ARG A 148 6.346 14.066 -9.066 1.00 1.65 C ATOM 2321 NE ARG A 148 6.738 15.276 -8.334 1.00 2.11 N ATOM 2322 CZ ARG A 148 7.464 16.292 -8.773 1.00 2.97 C ATOM 2323 NH1 ARG A 148 8.166 16.209 -9.884 1.00 3.79 N ATOM 2324 NH2 ARG A 148 7.474 17.411 -8.086 1.00 3.46 N ATOM 0 H ARG A 148 2.884 12.245 -6.941 1.00 1.06 H new ATOM 0 HA ARG A 148 3.606 10.344 -9.015 1.00 0.91 H new ATOM 0 HB2 ARG A 148 5.923 11.439 -9.150 1.00 1.11 H new ATOM 0 HB3 ARG A 148 4.610 12.191 -10.035 1.00 1.11 H new ATOM 0 HG2 ARG A 148 4.346 13.892 -8.274 1.00 1.42 H new ATOM 0 HG3 ARG A 148 5.570 13.109 -7.295 1.00 1.42 H new ATOM 0 HD2 ARG A 148 7.216 13.425 -9.206 1.00 1.65 H new ATOM 0 HD3 ARG A 148 5.988 14.339 -10.059 1.00 1.65 H new ATOM 0 HE ARG A 148 6.411 15.342 -7.370 1.00 2.11 H new ATOM 0 HH11 ARG A 148 8.159 15.347 -10.429 1.00 3.79 H new ATOM 0 HH12 ARG A 148 8.717 17.007 -10.200 1.00 3.79 H new ATOM 0 HH21 ARG A 148 6.928 17.488 -7.228 1.00 3.46 H new ATOM 0 HH22 ARG A 148 8.028 18.204 -8.410 1.00 3.46 H new ATOM 2338 N LEU A 149 5.148 9.109 -7.605 1.00 0.59 N ATOM 2339 CA LEU A 149 5.742 8.064 -6.788 1.00 0.48 C ATOM 2340 C LEU A 149 7.145 8.522 -6.390 1.00 0.86 C ATOM 2341 O LEU A 149 7.992 8.702 -7.260 1.00 1.19 O ATOM 2342 CB LEU A 149 5.722 6.772 -7.635 1.00 0.58 C ATOM 2343 CG LEU A 149 5.634 5.450 -6.854 1.00 0.84 C ATOM 2344 CD1 LEU A 149 5.550 4.298 -7.863 1.00 1.90 C ATOM 2345 CD2 LEU A 149 6.820 5.219 -5.912 1.00 2.00 C ATOM 0 H LEU A 149 5.155 8.864 -8.595 1.00 0.59 H new ATOM 0 HA LEU A 149 5.202 7.865 -5.862 1.00 0.48 H new ATOM 0 HB2 LEU A 149 4.874 6.823 -8.318 1.00 0.58 H new ATOM 0 HB3 LEU A 149 6.624 6.749 -8.247 1.00 0.58 H new ATOM 0 HG LEU A 149 4.746 5.498 -6.224 1.00 0.84 H new ATOM 0 HD11 LEU A 149 5.487 3.350 -7.329 1.00 1.90 H new ATOM 0 HD12 LEU A 149 4.664 4.423 -8.485 1.00 1.90 H new ATOM 0 HD13 LEU A 149 6.439 4.301 -8.493 1.00 1.90 H new ATOM 0 HD21 LEU A 149 6.693 4.269 -5.393 1.00 2.00 H new ATOM 0 HD22 LEU A 149 7.744 5.197 -6.489 1.00 2.00 H new ATOM 0 HD23 LEU A 149 6.868 6.027 -5.182 1.00 2.00 H new ATOM 2357 N VAL A 150 7.365 8.734 -5.094 1.00 0.48 N ATOM 2358 CA VAL A 150 8.627 9.266 -4.537 1.00 0.57 C ATOM 2359 C VAL A 150 9.555 8.178 -3.980 1.00 0.98 C ATOM 2360 O VAL A 150 10.767 8.389 -3.910 1.00 1.18 O ATOM 2361 CB VAL A 150 8.369 10.324 -3.431 1.00 0.69 C ATOM 2362 CG1 VAL A 150 7.846 11.632 -4.049 1.00 1.41 C ATOM 2363 CG2 VAL A 150 7.374 9.852 -2.356 1.00 1.27 C ATOM 0 H VAL A 150 6.663 8.540 -4.380 1.00 0.48 H new ATOM 0 HA VAL A 150 9.130 9.735 -5.383 1.00 0.57 H new ATOM 0 HB VAL A 150 9.330 10.486 -2.944 1.00 0.69 H new ATOM 0 HG11 VAL A 150 7.670 12.363 -3.259 1.00 1.41 H new ATOM 0 HG12 VAL A 150 8.584 12.024 -4.749 1.00 1.41 H new ATOM 0 HG13 VAL A 150 6.913 11.437 -4.577 1.00 1.41 H new ATOM 0 HG21 VAL A 150 7.239 10.639 -1.614 1.00 1.27 H new ATOM 0 HG22 VAL A 150 6.415 9.625 -2.822 1.00 1.27 H new ATOM 0 HG23 VAL A 150 7.762 8.957 -1.869 1.00 1.27 H new ATOM 2373 N LEU A 151 9.011 7.014 -3.590 1.00 0.52 N ATOM 2374 CA LEU A 151 9.762 5.998 -2.851 1.00 0.54 C ATOM 2375 C LEU A 151 9.096 4.618 -2.894 1.00 1.06 C ATOM 2376 O LEU A 151 7.866 4.498 -2.856 1.00 1.22 O ATOM 2377 CB LEU A 151 10.019 6.510 -1.405 1.00 0.58 C ATOM 2378 CG LEU A 151 11.517 6.508 -1.041 1.00 0.89 C ATOM 2379 CD1 LEU A 151 11.966 7.752 -0.275 1.00 1.14 C ATOM 2380 CD2 LEU A 151 11.925 5.240 -0.301 1.00 0.85 C ATOM 0 H LEU A 151 8.043 6.756 -3.779 1.00 0.52 H new ATOM 0 HA LEU A 151 10.725 5.847 -3.339 1.00 0.54 H new ATOM 0 HB2 LEU A 151 9.624 7.521 -1.304 1.00 0.58 H new ATOM 0 HB3 LEU A 151 9.475 5.884 -0.698 1.00 0.58 H new ATOM 0 HG LEU A 151 12.040 6.530 -1.997 1.00 0.89 H new ATOM 0 HD11 LEU A 151 13.031 7.679 -0.054 1.00 1.14 H new ATOM 0 HD12 LEU A 151 11.781 8.639 -0.881 1.00 1.14 H new ATOM 0 HD13 LEU A 151 11.406 7.827 0.657 1.00 1.14 H new ATOM 0 HD21 LEU A 151 12.988 5.283 -0.065 1.00 0.85 H new ATOM 0 HD22 LEU A 151 11.351 5.157 0.622 1.00 0.85 H new ATOM 0 HD23 LEU A 151 11.728 4.372 -0.930 1.00 0.85 H new ATOM 2392 N LEU A 152 9.935 3.585 -2.997 1.00 0.56 N ATOM 2393 CA LEU A 152 9.569 2.170 -3.016 1.00 0.57 C ATOM 2394 C LEU A 152 9.983 1.495 -1.711 1.00 1.07 C ATOM 2395 O LEU A 152 11.006 1.840 -1.118 1.00 1.15 O ATOM 2396 CB LEU A 152 10.297 1.467 -4.177 1.00 0.59 C ATOM 2397 CG LEU A 152 10.016 2.013 -5.589 1.00 0.70 C ATOM 2398 CD1 LEU A 152 10.906 1.282 -6.604 1.00 0.92 C ATOM 2399 CD2 LEU A 152 8.545 1.832 -5.971 1.00 0.82 C ATOM 0 H LEU A 152 10.943 3.723 -3.073 1.00 0.56 H new ATOM 0 HA LEU A 152 8.489 2.095 -3.140 1.00 0.57 H new ATOM 0 HB2 LEU A 152 11.370 1.527 -3.994 1.00 0.59 H new ATOM 0 HB3 LEU A 152 10.029 0.411 -4.159 1.00 0.59 H new ATOM 0 HG LEU A 152 10.240 3.080 -5.596 1.00 0.70 H new ATOM 0 HD11 LEU A 152 10.709 1.667 -7.605 1.00 0.92 H new ATOM 0 HD12 LEU A 152 11.954 1.445 -6.353 1.00 0.92 H new ATOM 0 HD13 LEU A 152 10.688 0.214 -6.577 1.00 0.92 H new ATOM 0 HD21 LEU A 152 8.378 2.227 -6.973 1.00 0.82 H new ATOM 0 HD22 LEU A 152 8.292 0.772 -5.952 1.00 0.82 H new ATOM 0 HD23 LEU A 152 7.916 2.368 -5.260 1.00 0.82 H new ATOM 2411 N TYR A 153 9.223 0.486 -1.293 1.00 0.63 N ATOM 2412 CA TYR A 153 9.501 -0.311 -0.098 1.00 0.61 C ATOM 2413 C TYR A 153 9.248 -1.810 -0.350 1.00 1.13 C ATOM 2414 O TYR A 153 8.127 -2.254 -0.606 1.00 1.53 O ATOM 2415 CB TYR A 153 8.672 0.226 1.083 1.00 0.62 C ATOM 2416 CG TYR A 153 9.443 1.042 2.096 1.00 0.78 C ATOM 2417 CD1 TYR A 153 9.598 2.432 1.944 1.00 1.73 C ATOM 2418 CD2 TYR A 153 9.980 0.398 3.223 1.00 2.06 C ATOM 2419 CE1 TYR A 153 10.296 3.173 2.916 1.00 1.86 C ATOM 2420 CE2 TYR A 153 10.675 1.130 4.199 1.00 2.35 C ATOM 2421 CZ TYR A 153 10.842 2.522 4.047 1.00 1.47 C ATOM 2422 OH TYR A 153 11.544 3.213 4.987 1.00 1.97 O ATOM 0 H TYR A 153 8.379 0.192 -1.785 1.00 0.63 H new ATOM 0 HA TYR A 153 10.557 -0.217 0.154 1.00 0.61 H new ATOM 0 HB2 TYR A 153 7.862 0.839 0.688 1.00 0.62 H new ATOM 0 HB3 TYR A 153 8.212 -0.618 1.596 1.00 0.62 H new ATOM 0 HD1 TYR A 153 9.181 2.931 1.081 1.00 1.73 H new ATOM 0 HD2 TYR A 153 9.857 -0.669 3.340 1.00 2.06 H new ATOM 0 HE1 TYR A 153 10.415 4.240 2.798 1.00 1.86 H new ATOM 0 HE2 TYR A 153 11.081 0.628 5.065 1.00 2.35 H new ATOM 0 HH TYR A 153 12.048 3.934 4.555 1.00 1.97 H new ATOM 2432 N SER A 154 10.308 -2.608 -0.241 1.00 0.91 N ATOM 2433 CA SER A 154 10.223 -4.057 -0.018 1.00 0.89 C ATOM 2434 C SER A 154 9.658 -4.364 1.385 1.00 0.99 C ATOM 2435 O SER A 154 9.807 -3.529 2.284 1.00 1.11 O ATOM 2436 CB SER A 154 11.625 -4.670 -0.137 1.00 1.01 C ATOM 2437 OG SER A 154 12.220 -4.382 -1.387 1.00 1.75 O ATOM 0 H SER A 154 11.266 -2.265 -0.306 1.00 0.91 H new ATOM 0 HA SER A 154 9.556 -4.485 -0.767 1.00 0.89 H new ATOM 0 HB2 SER A 154 12.258 -4.287 0.664 1.00 1.01 H new ATOM 0 HB3 SER A 154 11.562 -5.750 -0.005 1.00 1.01 H new ATOM 0 HG SER A 154 13.112 -4.787 -1.426 1.00 1.75 H new ATOM 2443 N PRO A 155 9.058 -5.548 1.618 1.00 0.87 N ATOM 2444 CA PRO A 155 8.484 -5.883 2.915 1.00 0.98 C ATOM 2445 C PRO A 155 9.552 -5.966 4.009 1.00 1.10 C ATOM 2446 O PRO A 155 9.333 -5.429 5.091 1.00 1.06 O ATOM 2447 CB PRO A 155 7.737 -7.198 2.705 1.00 1.18 C ATOM 2448 CG PRO A 155 8.441 -7.847 1.515 1.00 1.11 C ATOM 2449 CD PRO A 155 8.863 -6.643 0.674 1.00 1.04 C ATOM 0 HA PRO A 155 7.804 -5.108 3.269 1.00 0.98 H new ATOM 0 HB2 PRO A 155 7.789 -7.831 3.591 1.00 1.18 H new ATOM 0 HB3 PRO A 155 6.681 -7.027 2.497 1.00 1.18 H new ATOM 0 HG2 PRO A 155 9.299 -8.442 1.828 1.00 1.11 H new ATOM 0 HG3 PRO A 155 7.775 -8.512 0.964 1.00 1.11 H new ATOM 0 HD2 PRO A 155 9.780 -6.853 0.123 1.00 1.04 H new ATOM 0 HD3 PRO A 155 8.099 -6.393 -0.062 1.00 1.04 H new ATOM 2457 N ASP A 156 10.739 -6.512 3.716 1.00 0.85 N ATOM 2458 CA ASP A 156 11.863 -6.590 4.662 1.00 0.94 C ATOM 2459 C ASP A 156 12.413 -5.213 5.073 1.00 1.12 C ATOM 2460 O ASP A 156 13.175 -5.068 6.026 1.00 1.54 O ATOM 2461 CB ASP A 156 12.974 -7.442 4.025 1.00 1.13 C ATOM 2462 CG ASP A 156 13.717 -6.689 2.914 1.00 1.35 C ATOM 2463 OD1 ASP A 156 13.086 -6.399 1.871 1.00 1.96 O ATOM 2464 OD2 ASP A 156 14.889 -6.317 3.149 1.00 2.25 O ATOM 0 H ASP A 156 10.950 -6.918 2.804 1.00 0.85 H new ATOM 0 HA ASP A 156 11.496 -7.048 5.580 1.00 0.94 H new ATOM 0 HB2 ASP A 156 13.684 -7.744 4.795 1.00 1.13 H new ATOM 0 HB3 ASP A 156 12.540 -8.354 3.616 1.00 1.13 H new ATOM 2469 N LYS A 157 12.071 -4.167 4.323 1.00 0.80 N ATOM 2470 CA LYS A 157 12.276 -2.771 4.704 1.00 0.81 C ATOM 2471 C LYS A 157 11.068 -2.240 5.493 1.00 1.19 C ATOM 2472 O LYS A 157 11.261 -1.544 6.487 1.00 1.31 O ATOM 2473 CB LYS A 157 12.565 -1.918 3.450 1.00 0.86 C ATOM 2474 CG LYS A 157 13.785 -2.346 2.619 1.00 1.22 C ATOM 2475 CD LYS A 157 15.141 -2.083 3.299 1.00 1.76 C ATOM 2476 CE LYS A 157 15.947 -3.366 3.550 1.00 2.30 C ATOM 2477 NZ LYS A 157 15.406 -4.180 4.662 1.00 3.29 N ATOM 0 H LYS A 157 11.632 -4.270 3.408 1.00 0.80 H new ATOM 0 HA LYS A 157 13.143 -2.704 5.361 1.00 0.81 H new ATOM 0 HB2 LYS A 157 11.685 -1.940 2.807 1.00 0.86 H new ATOM 0 HB3 LYS A 157 12.706 -0.883 3.762 1.00 0.86 H new ATOM 0 HG2 LYS A 157 13.704 -3.410 2.398 1.00 1.22 H new ATOM 0 HG3 LYS A 157 13.762 -1.819 1.665 1.00 1.22 H new ATOM 0 HD2 LYS A 157 15.728 -1.408 2.676 1.00 1.76 H new ATOM 0 HD3 LYS A 157 14.972 -1.575 4.249 1.00 1.76 H new ATOM 0 HE2 LYS A 157 15.958 -3.966 2.640 1.00 2.30 H new ATOM 0 HE3 LYS A 157 16.981 -3.102 3.770 1.00 2.30 H new ATOM 0 HZ1 LYS A 157 16.177 -4.440 5.309 1.00 3.29 H new ATOM 0 HZ2 LYS A 157 14.691 -3.630 5.179 1.00 3.29 H new ATOM 0 HZ3 LYS A 157 14.969 -5.043 4.280 1.00 3.29 H new ATOM 2491 N ALA A 158 9.841 -2.571 5.083 1.00 0.79 N ATOM 2492 CA ALA A 158 8.600 -1.976 5.592 1.00 0.85 C ATOM 2493 C ALA A 158 8.253 -2.360 7.045 1.00 1.07 C ATOM 2494 O ALA A 158 7.586 -1.579 7.719 1.00 1.18 O ATOM 2495 CB ALA A 158 7.469 -2.339 4.625 1.00 0.91 C ATOM 0 H ALA A 158 9.677 -3.280 4.368 1.00 0.79 H new ATOM 0 HA ALA A 158 8.743 -0.896 5.636 1.00 0.85 H new ATOM 0 HB1 ALA A 158 6.533 -1.908 4.981 1.00 0.91 H new ATOM 0 HB2 ALA A 158 7.696 -1.945 3.635 1.00 0.91 H new ATOM 0 HB3 ALA A 158 7.371 -3.423 4.570 1.00 0.91 H new ATOM 2501 N GLU A 159 8.740 -3.503 7.538 1.00 0.74 N ATOM 2502 CA GLU A 159 8.564 -3.938 8.932 1.00 0.75 C ATOM 2503 C GLU A 159 9.227 -2.971 9.946 1.00 1.11 C ATOM 2504 O GLU A 159 8.801 -2.849 11.098 1.00 1.35 O ATOM 2505 CB GLU A 159 9.121 -5.370 9.086 1.00 0.74 C ATOM 2506 CG GLU A 159 8.307 -6.395 8.275 1.00 1.11 C ATOM 2507 CD GLU A 159 8.833 -7.829 8.422 1.00 1.86 C ATOM 2508 OE1 GLU A 159 10.038 -8.044 8.175 1.00 2.98 O ATOM 2509 OE2 GLU A 159 8.009 -8.700 8.782 1.00 2.49 O ATOM 0 H GLU A 159 9.275 -4.163 6.974 1.00 0.74 H new ATOM 0 HA GLU A 159 7.498 -3.929 9.160 1.00 0.75 H new ATOM 0 HB2 GLU A 159 10.161 -5.392 8.759 1.00 0.74 H new ATOM 0 HB3 GLU A 159 9.112 -5.651 10.139 1.00 0.74 H new ATOM 0 HG2 GLU A 159 7.266 -6.361 8.597 1.00 1.11 H new ATOM 0 HG3 GLU A 159 8.324 -6.114 7.222 1.00 1.11 H new ATOM 2516 N ALA A 160 10.267 -2.241 9.525 1.00 0.84 N ATOM 2517 CA ALA A 160 11.038 -1.343 10.380 1.00 0.85 C ATOM 2518 C ALA A 160 10.293 -0.013 10.628 1.00 1.09 C ATOM 2519 O ALA A 160 10.520 0.991 9.946 1.00 1.10 O ATOM 2520 CB ALA A 160 12.438 -1.177 9.775 1.00 0.87 C ATOM 0 H ALA A 160 10.599 -2.262 8.561 1.00 0.84 H new ATOM 0 HA ALA A 160 11.157 -1.773 11.375 1.00 0.85 H new ATOM 0 HB1 ALA A 160 13.028 -0.508 10.402 1.00 0.87 H new ATOM 0 HB2 ALA A 160 12.928 -2.149 9.719 1.00 0.87 H new ATOM 0 HB3 ALA A 160 12.354 -0.755 8.773 1.00 0.87 H new ATOM 2526 N THR A 161 9.412 -0.021 11.639 1.00 0.80 N ATOM 2527 CA THR A 161 8.551 1.101 12.074 1.00 0.85 C ATOM 2528 C THR A 161 9.285 2.438 12.129 1.00 0.96 C ATOM 2529 O THR A 161 8.898 3.383 11.446 1.00 1.21 O ATOM 2530 CB THR A 161 7.952 0.780 13.451 1.00 0.91 C ATOM 2531 OG1 THR A 161 7.025 -0.267 13.305 1.00 1.05 O ATOM 2532 CG2 THR A 161 7.190 1.947 14.077 1.00 1.06 C ATOM 0 H THR A 161 9.269 -0.854 12.210 1.00 0.80 H new ATOM 0 HA THR A 161 7.764 1.208 11.327 1.00 0.85 H new ATOM 0 HB THR A 161 8.793 0.530 14.098 1.00 0.91 H new ATOM 0 HG1 THR A 161 6.636 -0.483 14.178 1.00 1.05 H new ATOM 0 HG21 THR A 161 6.796 1.645 15.047 1.00 1.06 H new ATOM 0 HG22 THR A 161 7.864 2.794 14.206 1.00 1.06 H new ATOM 0 HG23 THR A 161 6.366 2.235 13.424 1.00 1.06 H new ATOM 2540 N ASP A 162 10.329 2.535 12.946 1.00 0.87 N ATOM 2541 CA ASP A 162 11.102 3.755 13.191 1.00 0.91 C ATOM 2542 C ASP A 162 11.771 4.287 11.916 1.00 1.22 C ATOM 2543 O ASP A 162 11.791 5.492 11.674 1.00 1.33 O ATOM 2544 CB ASP A 162 12.144 3.454 14.284 1.00 0.98 C ATOM 2545 CG ASP A 162 13.257 2.499 13.830 1.00 2.69 C ATOM 2546 OD1 ASP A 162 12.950 1.477 13.171 1.00 4.04 O ATOM 2547 OD2 ASP A 162 14.438 2.805 14.105 1.00 3.98 O ATOM 0 H ASP A 162 10.676 1.737 13.478 1.00 0.87 H new ATOM 0 HA ASP A 162 10.426 4.543 13.524 1.00 0.91 H new ATOM 0 HB2 ASP A 162 12.593 4.391 14.613 1.00 0.98 H new ATOM 0 HB3 ASP A 162 11.637 3.023 15.148 1.00 0.98 H new ATOM 2552 N ARG A 163 12.243 3.379 11.062 1.00 0.92 N ATOM 2553 CA ARG A 163 12.719 3.692 9.728 1.00 0.95 C ATOM 2554 C ARG A 163 11.589 4.232 8.846 1.00 1.15 C ATOM 2555 O ARG A 163 11.770 5.305 8.288 1.00 1.44 O ATOM 2556 CB ARG A 163 13.382 2.442 9.144 1.00 1.01 C ATOM 2557 CG ARG A 163 14.868 2.338 9.505 1.00 1.14 C ATOM 2558 CD ARG A 163 15.231 2.268 10.994 1.00 1.71 C ATOM 2559 NE ARG A 163 16.694 2.149 11.122 1.00 1.62 N ATOM 2560 CZ ARG A 163 17.396 1.901 12.221 1.00 2.74 C ATOM 2561 NH1 ARG A 163 16.845 1.740 13.404 1.00 4.08 N ATOM 2562 NH2 ARG A 163 18.708 1.824 12.129 1.00 3.08 N ATOM 0 H ARG A 163 12.304 2.387 11.289 1.00 0.92 H new ATOM 0 HA ARG A 163 13.461 4.489 9.772 1.00 0.95 H new ATOM 0 HB2 ARG A 163 12.861 1.556 9.507 1.00 1.01 H new ATOM 0 HB3 ARG A 163 13.276 2.452 8.059 1.00 1.01 H new ATOM 0 HG2 ARG A 163 15.271 1.450 9.018 1.00 1.14 H new ATOM 0 HG3 ARG A 163 15.380 3.198 9.074 1.00 1.14 H new ATOM 0 HD2 ARG A 163 14.879 3.161 11.511 1.00 1.71 H new ATOM 0 HD3 ARG A 163 14.741 1.414 11.462 1.00 1.71 H new ATOM 0 HE ARG A 163 17.231 2.272 10.264 1.00 1.62 H new ATOM 0 HH11 ARG A 163 15.832 1.804 13.508 1.00 4.08 H new ATOM 0 HH12 ARG A 163 17.430 1.551 14.218 1.00 4.08 H new ATOM 0 HH21 ARG A 163 19.164 1.954 11.226 1.00 3.08 H new ATOM 0 HH22 ARG A 163 19.267 1.634 12.961 1.00 3.08 H new ATOM 2576 N VAL A 164 10.424 3.577 8.780 1.00 0.89 N ATOM 2577 CA VAL A 164 9.260 4.071 8.010 1.00 0.87 C ATOM 2578 C VAL A 164 8.800 5.449 8.520 1.00 1.04 C ATOM 2579 O VAL A 164 8.473 6.324 7.724 1.00 1.15 O ATOM 2580 CB VAL A 164 8.102 3.039 8.002 1.00 0.84 C ATOM 2581 CG1 VAL A 164 6.800 3.591 7.392 1.00 0.90 C ATOM 2582 CG2 VAL A 164 8.503 1.790 7.196 1.00 0.99 C ATOM 0 H VAL A 164 10.255 2.691 9.255 1.00 0.89 H new ATOM 0 HA VAL A 164 9.577 4.198 6.975 1.00 0.87 H new ATOM 0 HB VAL A 164 7.917 2.796 9.048 1.00 0.84 H new ATOM 0 HG11 VAL A 164 6.031 2.819 7.417 1.00 0.90 H new ATOM 0 HG12 VAL A 164 6.466 4.455 7.967 1.00 0.90 H new ATOM 0 HG13 VAL A 164 6.980 3.890 6.360 1.00 0.90 H new ATOM 0 HG21 VAL A 164 7.680 1.075 7.200 1.00 0.99 H new ATOM 0 HG22 VAL A 164 8.730 2.077 6.169 1.00 0.99 H new ATOM 0 HG23 VAL A 164 9.383 1.332 7.648 1.00 0.99 H new ATOM 2592 N VAL A 165 8.857 5.684 9.837 1.00 0.87 N ATOM 2593 CA VAL A 165 8.641 7.002 10.457 1.00 0.87 C ATOM 2594 C VAL A 165 9.625 8.050 9.923 1.00 1.06 C ATOM 2595 O VAL A 165 9.200 9.129 9.522 1.00 1.22 O ATOM 2596 CB VAL A 165 8.755 6.909 11.995 1.00 0.89 C ATOM 2597 CG1 VAL A 165 9.013 8.247 12.705 1.00 0.98 C ATOM 2598 CG2 VAL A 165 7.486 6.293 12.588 1.00 1.22 C ATOM 0 H VAL A 165 9.058 4.950 10.517 1.00 0.87 H new ATOM 0 HA VAL A 165 7.633 7.320 10.192 1.00 0.87 H new ATOM 0 HB VAL A 165 9.629 6.281 12.168 1.00 0.89 H new ATOM 0 HG11 VAL A 165 9.078 8.082 13.780 1.00 0.98 H new ATOM 0 HG12 VAL A 165 9.949 8.674 12.347 1.00 0.98 H new ATOM 0 HG13 VAL A 165 8.195 8.935 12.492 1.00 0.98 H new ATOM 0 HG21 VAL A 165 7.582 6.234 13.672 1.00 1.22 H new ATOM 0 HG22 VAL A 165 6.627 6.913 12.333 1.00 1.22 H new ATOM 0 HG23 VAL A 165 7.344 5.292 12.182 1.00 1.22 H new ATOM 2608 N ALA A 166 10.931 7.758 9.939 1.00 0.87 N ATOM 2609 CA ALA A 166 11.981 8.695 9.534 1.00 0.91 C ATOM 2610 C ALA A 166 11.952 8.982 8.025 1.00 1.09 C ATOM 2611 O ALA A 166 12.097 10.127 7.617 1.00 1.19 O ATOM 2612 CB ALA A 166 13.330 8.099 9.954 1.00 0.95 C ATOM 0 H ALA A 166 11.291 6.852 10.238 1.00 0.87 H new ATOM 0 HA ALA A 166 11.817 9.654 10.026 1.00 0.91 H new ATOM 0 HB1 ALA A 166 14.133 8.777 9.665 1.00 0.95 H new ATOM 0 HB2 ALA A 166 13.345 7.959 11.035 1.00 0.95 H new ATOM 0 HB3 ALA A 166 13.472 7.137 9.462 1.00 0.95 H new ATOM 2618 N ASP A 167 11.692 7.960 7.215 1.00 0.91 N ATOM 2619 CA ASP A 167 11.473 8.055 5.772 1.00 0.99 C ATOM 2620 C ASP A 167 10.279 8.983 5.470 1.00 1.28 C ATOM 2621 O ASP A 167 10.413 9.950 4.718 1.00 1.26 O ATOM 2622 CB ASP A 167 11.261 6.622 5.254 1.00 1.18 C ATOM 2623 CG ASP A 167 11.687 6.405 3.807 1.00 1.43 C ATOM 2624 OD1 ASP A 167 10.923 6.772 2.889 1.00 2.50 O ATOM 2625 OD2 ASP A 167 12.727 5.725 3.625 1.00 1.95 O ATOM 0 H ASP A 167 11.625 7.002 7.559 1.00 0.91 H new ATOM 0 HA ASP A 167 12.329 8.498 5.262 1.00 0.99 H new ATOM 0 HB2 ASP A 167 11.816 5.933 5.890 1.00 1.18 H new ATOM 0 HB3 ASP A 167 10.206 6.366 5.351 1.00 1.18 H new ATOM 2630 N LEU A 168 9.140 8.779 6.148 1.00 0.94 N ATOM 2631 CA LEU A 168 7.967 9.659 6.018 1.00 0.98 C ATOM 2632 C LEU A 168 8.250 11.086 6.515 1.00 1.35 C ATOM 2633 O LEU A 168 7.852 12.048 5.864 1.00 1.55 O ATOM 2634 CB LEU A 168 6.752 9.051 6.749 1.00 1.04 C ATOM 2635 CG LEU A 168 6.126 7.825 6.049 1.00 1.12 C ATOM 2636 CD1 LEU A 168 5.071 7.206 6.978 1.00 1.54 C ATOM 2637 CD2 LEU A 168 5.470 8.184 4.704 1.00 1.55 C ATOM 0 H LEU A 168 9.005 8.005 6.798 1.00 0.94 H new ATOM 0 HA LEU A 168 7.735 9.735 4.956 1.00 0.98 H new ATOM 0 HB2 LEU A 168 7.057 8.762 7.755 1.00 1.04 H new ATOM 0 HB3 LEU A 168 5.988 9.820 6.857 1.00 1.04 H new ATOM 0 HG LEU A 168 6.928 7.117 5.840 1.00 1.12 H new ATOM 0 HD11 LEU A 168 4.623 6.339 6.493 1.00 1.54 H new ATOM 0 HD12 LEU A 168 5.544 6.896 7.910 1.00 1.54 H new ATOM 0 HD13 LEU A 168 4.297 7.943 7.191 1.00 1.54 H new ATOM 0 HD21 LEU A 168 5.046 7.286 4.255 1.00 1.55 H new ATOM 0 HD22 LEU A 168 4.679 8.916 4.869 1.00 1.55 H new ATOM 0 HD23 LEU A 168 6.220 8.605 4.034 1.00 1.55 H new ATOM 2649 N GLN A 169 8.991 11.241 7.614 1.00 0.97 N ATOM 2650 CA GLN A 169 9.442 12.545 8.114 1.00 1.02 C ATOM 2651 C GLN A 169 10.343 13.271 7.099 1.00 1.35 C ATOM 2652 O GLN A 169 10.285 14.499 6.981 1.00 1.47 O ATOM 2653 CB GLN A 169 10.181 12.365 9.453 1.00 1.05 C ATOM 2654 CG GLN A 169 9.271 12.169 10.685 1.00 1.21 C ATOM 2655 CD GLN A 169 10.002 11.983 12.029 1.00 1.89 C ATOM 2656 OE1 GLN A 169 9.481 11.412 12.985 1.00 3.19 O ATOM 2657 NE2 GLN A 169 11.217 12.454 12.210 1.00 2.07 N ATOM 0 H GLN A 169 9.299 10.457 8.189 1.00 0.97 H new ATOM 0 HA GLN A 169 8.560 13.166 8.266 1.00 1.02 H new ATOM 0 HB2 GLN A 169 10.844 11.504 9.371 1.00 1.05 H new ATOM 0 HB3 GLN A 169 10.811 13.238 9.622 1.00 1.05 H new ATOM 0 HG2 GLN A 169 8.610 13.032 10.767 1.00 1.21 H new ATOM 0 HG3 GLN A 169 8.638 11.298 10.512 1.00 1.21 H new ATOM 0 HE21 GLN A 169 11.695 12.937 11.449 1.00 2.07 H new ATOM 0 HE22 GLN A 169 11.681 12.337 13.111 1.00 2.07 H new ATOM 2666 N ALA A 170 11.150 12.531 6.330 1.00 1.16 N ATOM 2667 CA ALA A 170 11.940 13.060 5.225 1.00 1.35 C ATOM 2668 C ALA A 170 11.070 13.458 4.014 1.00 1.42 C ATOM 2669 O ALA A 170 11.384 14.439 3.335 1.00 1.58 O ATOM 2670 CB ALA A 170 12.996 12.023 4.844 1.00 1.47 C ATOM 0 H ALA A 170 11.271 11.527 6.466 1.00 1.16 H new ATOM 0 HA ALA A 170 12.427 13.980 5.549 1.00 1.35 H new ATOM 0 HB1 ALA A 170 13.597 12.402 4.018 1.00 1.47 H new ATOM 0 HB2 ALA A 170 13.640 11.828 5.701 1.00 1.47 H new ATOM 0 HB3 ALA A 170 12.505 11.098 4.541 1.00 1.47 H new ATOM 2676 N LEU A 171 9.967 12.748 3.769 1.00 1.35 N ATOM 2677 CA LEU A 171 9.087 12.940 2.604 1.00 1.40 C ATOM 2678 C LEU A 171 7.976 13.982 2.782 1.00 1.63 C ATOM 2679 O LEU A 171 7.450 14.437 1.766 1.00 1.95 O ATOM 2680 CB LEU A 171 8.463 11.587 2.221 1.00 1.33 C ATOM 2681 CG LEU A 171 9.430 10.596 1.548 1.00 1.43 C ATOM 2682 CD1 LEU A 171 8.669 9.292 1.291 1.00 1.57 C ATOM 2683 CD2 LEU A 171 9.989 11.149 0.225 1.00 1.66 C ATOM 0 H LEU A 171 9.649 12.003 4.389 1.00 1.35 H new ATOM 0 HA LEU A 171 9.726 13.336 1.815 1.00 1.40 H new ATOM 0 HB2 LEU A 171 8.057 11.123 3.120 1.00 1.33 H new ATOM 0 HB3 LEU A 171 7.624 11.767 1.549 1.00 1.33 H new ATOM 0 HG LEU A 171 10.281 10.427 2.208 1.00 1.43 H new ATOM 0 HD11 LEU A 171 9.333 8.571 0.814 1.00 1.57 H new ATOM 0 HD12 LEU A 171 8.313 8.886 2.238 1.00 1.57 H new ATOM 0 HD13 LEU A 171 7.819 9.490 0.638 1.00 1.57 H new ATOM 0 HD21 LEU A 171 10.667 10.419 -0.217 1.00 1.66 H new ATOM 0 HD22 LEU A 171 9.167 11.345 -0.464 1.00 1.66 H new ATOM 0 HD23 LEU A 171 10.530 12.076 0.418 1.00 1.66 H new ATOM 2695 N LEU A 172 7.654 14.360 4.028 1.00 1.37 N ATOM 2696 CA LEU A 172 6.562 15.262 4.452 1.00 1.44 C ATOM 2697 C LEU A 172 6.169 16.368 3.459 1.00 1.93 C ATOM 2698 O LEU A 172 7.051 17.133 3.014 1.00 3.07 O ATOM 2699 CB LEU A 172 6.921 15.831 5.847 1.00 1.66 C ATOM 2700 CG LEU A 172 6.368 15.034 7.035 1.00 1.55 C ATOM 2701 CD1 LEU A 172 6.983 15.559 8.333 1.00 2.16 C ATOM 2702 CD2 LEU A 172 4.845 15.162 7.149 1.00 1.96 C ATOM 2703 OXT LEU A 172 4.964 16.439 3.121 1.00 2.31 O ATOM 0 H LEU A 172 8.187 14.020 4.828 1.00 1.37 H new ATOM 0 HA LEU A 172 5.656 14.658 4.492 1.00 1.44 H new ATOM 0 HB2 LEU A 172 8.006 15.879 5.935 1.00 1.66 H new ATOM 0 HB3 LEU A 172 6.551 16.854 5.912 1.00 1.66 H new ATOM 0 HG LEU A 172 6.624 13.987 6.871 1.00 1.55 H new ATOM 0 HD11 LEU A 172 6.590 14.992 9.177 1.00 2.16 H new ATOM 0 HD12 LEU A 172 8.066 15.447 8.294 1.00 2.16 H new ATOM 0 HD13 LEU A 172 6.732 16.613 8.455 1.00 2.16 H new ATOM 0 HD21 LEU A 172 4.494 14.583 8.003 1.00 1.96 H new ATOM 0 HD22 LEU A 172 4.577 16.210 7.287 1.00 1.96 H new ATOM 0 HD23 LEU A 172 4.379 14.785 6.239 1.00 1.96 H new