USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 871 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 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -110:sc= -5.43! USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0848 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.98 F(o=-2.8!,f=-2) USER MOD Single : A 35 THR OG1 : rot -68:sc= -0.353 USER MOD Single : A 38 TYR OH : rot -84:sc= -0.92 USER MOD Single : A 42 THR OG1 : rot -21:sc= 0.659 USER MOD Single : A 48 GLN : amide:sc= -1.56 K(o=-1.6,f=-2.8) USER MOD Single : A 52 TYR OH : rot -21:sc= -0.0271 USER MOD Single : A 53 GLN : amide:sc= -0.397 X(o=-0.4,f=-0.25) USER MOD Single : A 54 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.019) USER MOD Single : A 57 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.4) USER MOD Single : A 58 GLN : amide:sc= -0.85 K(o=-0.85,f=-4.3!) USER MOD Single : A 59 CYS SG : rot 139:sc= -1.19! USER MOD Single : A 60 THR OG1 : rot 179:sc= -0.999! USER MOD Single : A 87 THR OG1 : rot -73:sc= 0.425 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.223 K(o=-0.22,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 85:sc= 0.803 USER MOD Single : A 103 THR OG1 : rot 95:sc= 0.224 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.69) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -71:sc= 1.17 USER MOD Single : A 125 LYS NZ :NH3+ -166:sc= 1.04 (180deg=0.682) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.345 9.022 8.592 1.00 0.00 N ATOM 117 CA LYS A 11 -9.113 9.521 9.191 1.00 0.00 C ATOM 118 C LYS A 11 -8.013 8.465 9.133 1.00 0.00 C ATOM 119 O LYS A 11 -8.280 7.292 8.867 1.00 0.00 O ATOM 120 CB LYS A 11 -9.359 9.938 10.642 1.00 0.00 C ATOM 121 CG LYS A 11 -10.384 11.049 10.791 1.00 0.00 C ATOM 122 CD LYS A 11 -9.765 12.416 10.551 1.00 0.00 C ATOM 123 CE LYS A 11 -8.944 12.874 11.747 1.00 0.00 C ATOM 124 NZ LYS A 11 -8.563 14.310 11.641 1.00 0.00 N ATOM 0 HA LYS A 11 -8.788 10.391 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.693 9.069 11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.416 10.263 11.082 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.200 10.889 10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.816 11.015 11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.130 12.379 9.666 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.552 13.143 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.516 12.716 12.662 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.044 12.264 11.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.005 14.584 12.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.996 14.456 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.422 14.894 11.593 1.00 0.00 H new ATOM 138 N ILE A 12 -6.780 8.888 9.385 1.00 0.00 N ATOM 139 CA ILE A 12 -5.642 7.977 9.365 1.00 0.00 C ATOM 140 C ILE A 12 -4.814 8.101 10.639 1.00 0.00 C ATOM 141 O ILE A 12 -4.684 9.188 11.203 1.00 0.00 O ATOM 142 CB ILE A 12 -4.733 8.239 8.149 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.497 7.340 8.205 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.327 9.704 8.098 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.680 7.353 6.932 1.00 0.00 C ATOM 0 H ILE A 12 -6.543 9.855 9.605 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.048 6.968 9.296 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.289 8.004 7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.865 7.656 9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.811 6.318 8.415 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.685 9.874 7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.218 10.326 8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.786 9.964 9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.820 6.693 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.295 7.008 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.335 8.367 6.731 1.00 0.00 H new ATOM 157 N ASP A 13 -4.257 6.982 11.087 1.00 0.00 N ATOM 158 CA ASP A 13 -3.439 6.966 12.295 1.00 0.00 C ATOM 159 C ASP A 13 -2.037 7.494 12.010 1.00 0.00 C ATOM 160 O ASP A 13 -1.043 6.915 12.446 1.00 0.00 O ATOM 161 CB ASP A 13 -3.356 5.547 12.861 1.00 0.00 C ATOM 162 CG ASP A 13 -3.406 5.524 14.376 1.00 0.00 C ATOM 163 OD1 ASP A 13 -3.092 6.562 14.995 1.00 0.00 O ATOM 164 OD2 ASP A 13 -3.759 4.469 14.942 1.00 0.00 O ATOM 0 H ASP A 13 -4.356 6.074 10.633 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.910 7.617 13.031 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.179 4.952 12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.432 5.078 12.524 1.00 0.00 H new ATOM 169 N LYS A 14 -1.966 8.599 11.273 1.00 0.00 N ATOM 170 CA LYS A 14 -0.686 9.208 10.929 1.00 0.00 C ATOM 171 C LYS A 14 0.395 8.802 11.924 1.00 0.00 C ATOM 172 O LYS A 14 1.488 8.393 11.534 1.00 0.00 O ATOM 173 CB LYS A 14 -0.818 10.732 10.894 1.00 0.00 C ATOM 174 CG LYS A 14 -1.160 11.282 9.521 1.00 0.00 C ATOM 175 CD LYS A 14 -1.372 12.786 9.559 1.00 0.00 C ATOM 176 CE LYS A 14 -2.256 13.255 8.413 1.00 0.00 C ATOM 177 NZ LYS A 14 -2.885 14.573 8.701 1.00 0.00 N ATOM 0 H LYS A 14 -2.780 9.090 10.903 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.395 8.852 9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.589 11.038 11.601 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.118 11.177 11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.357 11.044 8.823 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.061 10.796 9.148 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.827 13.066 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.408 13.292 9.506 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.662 13.328 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.034 12.514 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.479 14.857 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.473 14.498 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.143 15.286 8.853 1.00 0.00 H new ATOM 191 N GLU A 15 0.081 8.916 13.211 1.00 0.00 N ATOM 192 CA GLU A 15 1.028 8.561 14.261 1.00 0.00 C ATOM 193 C GLU A 15 1.509 7.121 14.096 1.00 0.00 C ATOM 194 O GLU A 15 2.707 6.868 13.973 1.00 0.00 O ATOM 195 CB GLU A 15 0.387 8.738 15.639 1.00 0.00 C ATOM 196 CG GLU A 15 -0.975 8.076 15.767 1.00 0.00 C ATOM 197 CD GLU A 15 -1.800 8.649 16.903 1.00 0.00 C ATOM 198 OE1 GLU A 15 -2.345 9.760 16.737 1.00 0.00 O ATOM 199 OE2 GLU A 15 -1.898 7.989 17.957 1.00 0.00 O ATOM 0 H GLU A 15 -0.821 9.251 13.551 1.00 0.00 H new ATOM 0 HA GLU A 15 1.887 9.227 14.179 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.054 8.326 16.396 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.285 9.803 15.849 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.521 8.194 14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.841 7.006 15.925 1.00 0.00 H new ATOM 206 N ALA A 16 0.567 6.185 14.093 1.00 0.00 N ATOM 207 CA ALA A 16 0.894 4.773 13.940 1.00 0.00 C ATOM 208 C ALA A 16 1.401 4.475 12.533 1.00 0.00 C ATOM 209 O ALA A 16 2.310 3.665 12.349 1.00 0.00 O ATOM 210 CB ALA A 16 -0.321 3.912 14.258 1.00 0.00 C ATOM 0 H ALA A 16 -0.429 6.379 14.195 1.00 0.00 H new ATOM 0 HA ALA A 16 1.691 4.533 14.644 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.062 2.860 14.140 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.638 4.095 15.285 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.134 4.165 13.577 1.00 0.00 H new ATOM 216 N CYS A 17 0.809 5.135 11.544 1.00 0.00 N ATOM 217 CA CYS A 17 1.199 4.940 10.153 1.00 0.00 C ATOM 218 C CYS A 17 2.668 5.293 9.946 1.00 0.00 C ATOM 219 O CYS A 17 3.466 4.454 9.527 1.00 0.00 O ATOM 220 CB CYS A 17 0.324 5.790 9.231 1.00 0.00 C ATOM 221 SG CYS A 17 -1.452 5.544 9.467 1.00 0.00 S ATOM 0 H CYS A 17 0.057 5.810 11.680 1.00 0.00 H new ATOM 0 HA CYS A 17 1.058 3.888 9.907 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.559 6.842 9.393 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.577 5.562 8.196 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.946 4.927 8.435 1.00 0.00 H new ATOM 227 N ARG A 18 3.019 6.541 10.242 1.00 0.00 N ATOM 228 CA ARG A 18 4.392 7.006 10.085 1.00 0.00 C ATOM 229 C ARG A 18 5.379 5.982 10.637 1.00 0.00 C ATOM 230 O ARG A 18 6.426 5.732 10.042 1.00 0.00 O ATOM 231 CB ARG A 18 4.582 8.348 10.796 1.00 0.00 C ATOM 232 CG ARG A 18 6.007 8.872 10.736 1.00 0.00 C ATOM 233 CD ARG A 18 6.307 9.805 11.899 1.00 0.00 C ATOM 234 NE ARG A 18 6.438 9.082 13.160 1.00 0.00 N ATOM 235 CZ ARG A 18 7.063 9.570 14.225 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.611 10.777 14.182 1.00 0.00 N ATOM 237 NH2 ARG A 18 7.140 8.852 15.338 1.00 0.00 N ATOM 0 H ARG A 18 2.372 7.247 10.592 1.00 0.00 H new ATOM 0 HA ARG A 18 4.586 7.135 9.020 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.914 9.084 10.349 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.287 8.242 11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.705 8.035 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.162 9.400 9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.228 10.352 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.510 10.544 11.986 1.00 0.00 H new ATOM 0 HE ARG A 18 6.027 8.151 13.227 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.553 11.333 13.329 1.00 0.00 H new ATOM 0 HH12 ARG A 18 8.090 11.149 15.002 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.719 7.924 15.376 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.620 9.228 16.155 1.00 0.00 H new ATOM 251 N ALA A 19 5.036 5.393 11.779 1.00 0.00 N ATOM 252 CA ALA A 19 5.892 4.396 12.410 1.00 0.00 C ATOM 253 C ALA A 19 6.089 3.188 11.501 1.00 0.00 C ATOM 254 O ALA A 19 7.216 2.746 11.275 1.00 0.00 O ATOM 255 CB ALA A 19 5.303 3.964 13.745 1.00 0.00 C ATOM 0 H ALA A 19 4.172 5.589 12.285 1.00 0.00 H new ATOM 0 HA ALA A 19 6.868 4.849 12.585 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.952 3.219 14.205 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.220 4.829 14.403 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.314 3.534 13.584 1.00 0.00 H new ATOM 261 N ALA A 20 4.987 2.657 10.982 1.00 0.00 N ATOM 262 CA ALA A 20 5.040 1.501 10.097 1.00 0.00 C ATOM 263 C ALA A 20 5.777 1.832 8.804 1.00 0.00 C ATOM 264 O ALA A 20 6.620 1.062 8.343 1.00 0.00 O ATOM 265 CB ALA A 20 3.633 1.004 9.792 1.00 0.00 C ATOM 0 H ALA A 20 4.046 3.009 11.160 1.00 0.00 H new ATOM 0 HA ALA A 20 5.591 0.710 10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.688 0.140 9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.139 0.719 10.721 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.064 1.797 9.307 1.00 0.00 H new ATOM 271 N TYR A 21 5.454 2.982 8.222 1.00 0.00 N ATOM 272 CA TYR A 21 6.085 3.413 6.981 1.00 0.00 C ATOM 273 C TYR A 21 7.586 3.607 7.169 1.00 0.00 C ATOM 274 O TYR A 21 8.351 3.592 6.206 1.00 0.00 O ATOM 275 CB TYR A 21 5.450 4.714 6.488 1.00 0.00 C ATOM 276 CG TYR A 21 6.396 5.588 5.694 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.612 5.363 4.341 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.074 6.639 6.300 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.476 6.157 3.613 1.00 0.00 C ATOM 280 CE2 TYR A 21 7.939 7.440 5.580 1.00 0.00 C ATOM 281 CZ TYR A 21 8.137 7.194 4.237 1.00 0.00 C ATOM 282 OH TYR A 21 8.998 7.989 3.515 1.00 0.00 O ATOM 0 H TYR A 21 4.759 3.632 8.590 1.00 0.00 H new ATOM 0 HA TYR A 21 5.930 2.633 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.585 4.475 5.870 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.083 5.277 7.346 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.095 4.552 3.849 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.922 6.833 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.633 5.967 2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.457 8.254 6.065 1.00 0.00 H new ATOM 0 HH TYR A 21 9.381 8.674 4.102 1.00 0.00 H new ATOM 292 N ASN A 22 8.000 3.787 8.420 1.00 0.00 N ATOM 293 CA ASN A 22 9.409 3.982 8.738 1.00 0.00 C ATOM 294 C ASN A 22 10.092 2.649 9.029 1.00 0.00 C ATOM 295 O ASN A 22 11.207 2.399 8.572 1.00 0.00 O ATOM 296 CB ASN A 22 9.557 4.917 9.940 1.00 0.00 C ATOM 297 CG ASN A 22 9.372 6.374 9.565 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.711 7.129 10.436 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 9.817 6.817 8.507 1.00 0.00 N flip ATOM 0 H ASN A 22 7.379 3.802 9.229 1.00 0.00 H new ATOM 0 HA ASN A 22 9.892 4.435 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.825 4.645 10.701 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.544 4.781 10.383 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.319 6.201 7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.684 7.800 8.270 1.00 0.00 H new ATOM 306 N LEU A 23 9.415 1.798 9.790 1.00 0.00 N ATOM 307 CA LEU A 23 9.954 0.490 10.143 1.00 0.00 C ATOM 308 C LEU A 23 10.368 -0.281 8.894 1.00 0.00 C ATOM 309 O LEU A 23 11.143 -1.237 8.968 1.00 0.00 O ATOM 310 CB LEU A 23 8.922 -0.315 10.935 1.00 0.00 C ATOM 311 CG LEU A 23 9.088 -0.263 12.454 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.412 -0.884 12.868 1.00 0.00 C ATOM 313 CD2 LEU A 23 8.991 1.171 12.950 1.00 0.00 C ATOM 0 H LEU A 23 8.490 1.990 10.175 1.00 0.00 H new ATOM 0 HA LEU A 23 10.837 0.644 10.764 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.927 0.049 10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.972 -1.356 10.615 1.00 0.00 H new ATOM 0 HG LEU A 23 8.283 -0.840 12.909 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.512 -0.838 13.952 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.443 -1.925 12.545 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.232 -0.336 12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.111 1.190 14.033 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.775 1.770 12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.017 1.582 12.686 1.00 0.00 H new ATOM 325 N VAL A 24 9.848 0.139 7.746 1.00 0.00 N ATOM 326 CA VAL A 24 10.163 -0.511 6.479 1.00 0.00 C ATOM 327 C VAL A 24 11.115 0.340 5.646 1.00 0.00 C ATOM 328 O VAL A 24 12.030 -0.179 5.007 1.00 0.00 O ATOM 329 CB VAL A 24 8.890 -0.789 5.658 1.00 0.00 C ATOM 330 CG1 VAL A 24 9.249 -1.232 4.248 1.00 0.00 C ATOM 331 CG2 VAL A 24 8.027 -1.833 6.350 1.00 0.00 C ATOM 0 H VAL A 24 9.206 0.927 7.667 1.00 0.00 H new ATOM 0 HA VAL A 24 10.644 -1.459 6.721 1.00 0.00 H new ATOM 0 HB VAL A 24 8.316 0.135 5.587 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.337 -1.424 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.823 -0.447 3.755 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.846 -2.143 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.132 -2.017 5.756 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.591 -2.760 6.454 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.739 -1.471 7.337 1.00 0.00 H new ATOM 341 N ARG A 25 10.894 1.651 5.660 1.00 0.00 N ATOM 342 CA ARG A 25 11.732 2.575 4.906 1.00 0.00 C ATOM 343 C ARG A 25 13.135 2.647 5.502 1.00 0.00 C ATOM 344 O ARG A 25 14.117 2.839 4.785 1.00 0.00 O ATOM 345 CB ARG A 25 11.102 3.968 4.887 1.00 0.00 C ATOM 346 CG ARG A 25 12.117 5.097 4.986 1.00 0.00 C ATOM 347 CD ARG A 25 11.487 6.442 4.660 1.00 0.00 C ATOM 348 NE ARG A 25 12.491 7.454 4.343 1.00 0.00 N ATOM 349 CZ ARG A 25 13.278 7.400 3.275 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.176 6.388 2.424 1.00 0.00 N ATOM 351 NH2 ARG A 25 14.168 8.360 3.055 1.00 0.00 N ATOM 0 H ARG A 25 10.142 2.097 6.185 1.00 0.00 H new ATOM 0 HA ARG A 25 11.809 2.205 3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.529 4.086 3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.398 4.050 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.536 5.124 5.992 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.944 4.906 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.807 6.329 3.815 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.889 6.777 5.508 1.00 0.00 H new ATOM 0 HE ARG A 25 12.593 8.246 4.977 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.492 5.650 2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.781 6.348 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.248 9.140 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.772 8.317 2.234 1.00 0.00 H new ATOM 365 N ASP A 26 13.221 2.493 6.819 1.00 0.00 N ATOM 366 CA ASP A 26 14.504 2.540 7.513 1.00 0.00 C ATOM 367 C ASP A 26 15.380 1.357 7.115 1.00 0.00 C ATOM 368 O ASP A 26 14.906 0.224 7.021 1.00 0.00 O ATOM 369 CB ASP A 26 14.288 2.546 9.027 1.00 0.00 C ATOM 370 CG ASP A 26 15.531 2.967 9.786 1.00 0.00 C ATOM 371 OD1 ASP A 26 15.771 4.187 9.897 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.263 2.078 10.269 1.00 0.00 O ATOM 0 H ASP A 26 12.418 2.335 7.428 1.00 0.00 H new ATOM 0 HA ASP A 26 15.014 3.459 7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.469 3.223 9.272 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.987 1.550 9.352 1.00 0.00 H new ATOM 417 N VAL A 31 12.134 -5.280 8.596 1.00 0.00 N ATOM 418 CA VAL A 31 10.855 -5.115 7.916 1.00 0.00 C ATOM 419 C VAL A 31 11.052 -4.640 6.481 1.00 0.00 C ATOM 420 O VAL A 31 11.780 -3.679 6.230 1.00 0.00 O ATOM 421 CB VAL A 31 9.951 -4.112 8.657 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.499 -4.286 8.232 1.00 0.00 C ATOM 423 CG2 VAL A 31 10.097 -4.276 10.163 1.00 0.00 C ATOM 0 HA VAL A 31 10.372 -6.092 7.909 1.00 0.00 H new ATOM 0 HB VAL A 31 10.264 -3.102 8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.875 -3.569 8.766 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.411 -4.115 7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.170 -5.298 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.451 -3.560 10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.811 -5.288 10.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.133 -4.097 10.450 1.00 0.00 H new ATOM 433 N ILE A 32 10.399 -5.319 5.544 1.00 0.00 N ATOM 434 CA ILE A 32 10.502 -4.965 4.134 1.00 0.00 C ATOM 435 C ILE A 32 9.139 -4.598 3.558 1.00 0.00 C ATOM 436 O ILE A 32 9.044 -4.052 2.459 1.00 0.00 O ATOM 437 CB ILE A 32 11.102 -6.116 3.306 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.021 -7.141 2.957 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.241 -6.779 4.068 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.491 -8.213 2.000 1.00 0.00 C ATOM 0 H ILE A 32 9.793 -6.117 5.736 1.00 0.00 H new ATOM 0 HA ILE A 32 11.164 -4.101 4.074 1.00 0.00 H new ATOM 0 HB ILE A 32 11.501 -5.706 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.670 -7.613 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.168 -6.623 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.655 -7.591 3.470 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.020 -6.044 4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.865 -7.178 5.010 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.673 -8.904 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.815 -7.751 1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.324 -8.757 2.444 1.00 0.00 H new ATOM 452 N TRP A 33 8.086 -4.898 4.309 1.00 0.00 N ATOM 453 CA TRP A 33 6.727 -4.597 3.874 1.00 0.00 C ATOM 454 C TRP A 33 5.844 -4.224 5.061 1.00 0.00 C ATOM 455 O TRP A 33 6.179 -4.514 6.210 1.00 0.00 O ATOM 456 CB TRP A 33 6.128 -5.795 3.136 1.00 0.00 C ATOM 457 CG TRP A 33 5.972 -7.009 4.002 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.784 -8.107 4.028 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.940 -7.248 4.965 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.319 -9.014 4.950 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.189 -8.510 5.539 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.831 -6.517 5.400 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.369 -9.055 6.523 1.00 0.00 C ATOM 464 CZ3 TRP A 33 3.017 -7.060 6.377 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.290 -8.319 6.929 1.00 0.00 C ATOM 0 H TRP A 33 8.147 -5.349 5.222 1.00 0.00 H new ATOM 0 HA TRP A 33 6.771 -3.745 3.195 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.154 -5.516 2.735 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.763 -6.043 2.286 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.662 -8.243 3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.746 -9.916 5.162 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.614 -5.546 4.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.577 -10.025 6.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.157 -6.505 6.720 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.635 -8.716 7.690 1.00 0.00 H new ATOM 476 N VAL A 34 4.718 -3.579 4.777 1.00 0.00 N ATOM 477 CA VAL A 34 3.787 -3.168 5.822 1.00 0.00 C ATOM 478 C VAL A 34 2.405 -2.886 5.246 1.00 0.00 C ATOM 479 O VAL A 34 2.273 -2.290 4.176 1.00 0.00 O ATOM 480 CB VAL A 34 4.291 -1.912 6.558 1.00 0.00 C ATOM 481 CG1 VAL A 34 4.457 -0.754 5.586 1.00 0.00 C ATOM 482 CG2 VAL A 34 3.340 -1.540 7.685 1.00 0.00 C ATOM 0 H VAL A 34 4.428 -3.329 3.832 1.00 0.00 H new ATOM 0 HA VAL A 34 3.720 -3.994 6.531 1.00 0.00 H new ATOM 0 HB VAL A 34 5.266 -2.132 6.992 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.814 0.124 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.179 -1.026 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.497 -0.529 5.120 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.710 -0.651 8.195 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.351 -1.337 7.274 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.276 -2.365 8.395 1.00 0.00 H new ATOM 492 N THR A 35 1.372 -3.318 5.963 1.00 0.00 N ATOM 493 CA THR A 35 -0.002 -3.114 5.524 1.00 0.00 C ATOM 494 C THR A 35 -0.724 -2.114 6.421 1.00 0.00 C ATOM 495 O THR A 35 -0.398 -1.976 7.601 1.00 0.00 O ATOM 496 CB THR A 35 -0.791 -4.437 5.511 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.490 -5.197 6.687 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.457 -5.254 4.273 1.00 0.00 C ATOM 0 H THR A 35 1.462 -3.812 6.851 1.00 0.00 H new ATOM 0 HA THR A 35 0.047 -2.719 4.509 1.00 0.00 H new ATOM 0 HB THR A 35 -1.855 -4.201 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.440 -5.504 6.649 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.026 -6.184 4.286 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.714 -4.684 3.380 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.609 -5.481 4.264 1.00 0.00 H new ATOM 506 N PHE A 36 -1.704 -1.419 5.856 1.00 0.00 N ATOM 507 CA PHE A 36 -2.472 -0.431 6.606 1.00 0.00 C ATOM 508 C PHE A 36 -3.970 -0.649 6.417 1.00 0.00 C ATOM 509 O PHE A 36 -4.555 -0.198 5.432 1.00 0.00 O ATOM 510 CB PHE A 36 -2.092 0.983 6.164 1.00 0.00 C ATOM 511 CG PHE A 36 -0.614 1.251 6.214 1.00 0.00 C ATOM 512 CD1 PHE A 36 -0.020 1.718 7.374 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.180 1.033 5.100 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.339 1.964 7.424 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.540 1.277 5.143 1.00 0.00 C ATOM 516 CZ PHE A 36 2.120 1.744 6.306 1.00 0.00 C ATOM 0 H PHE A 36 -1.986 -1.521 4.881 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.236 -0.550 7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.448 1.145 5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.605 1.704 6.800 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.626 1.892 8.251 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.268 0.668 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.790 2.328 8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.148 1.103 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.182 1.937 6.341 1.00 0.00 H new ATOM 526 N ARG A 37 -4.586 -1.344 7.368 1.00 0.00 N ATOM 527 CA ARG A 37 -6.015 -1.623 7.308 1.00 0.00 C ATOM 528 C ARG A 37 -6.798 -0.651 8.184 1.00 0.00 C ATOM 529 O ARG A 37 -6.214 0.128 8.938 1.00 0.00 O ATOM 530 CB ARG A 37 -6.294 -3.062 7.749 1.00 0.00 C ATOM 531 CG ARG A 37 -5.834 -3.365 9.165 1.00 0.00 C ATOM 532 CD ARG A 37 -5.482 -4.834 9.334 1.00 0.00 C ATOM 533 NE ARG A 37 -5.308 -5.197 10.738 1.00 0.00 N ATOM 534 CZ ARG A 37 -4.947 -6.409 11.144 1.00 0.00 C ATOM 535 NH1 ARG A 37 -4.721 -7.369 10.258 1.00 0.00 N ATOM 536 NH2 ARG A 37 -4.810 -6.663 12.439 1.00 0.00 N ATOM 0 H ARG A 37 -4.117 -1.724 8.190 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.340 -1.496 6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.364 -3.255 7.675 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.798 -3.747 7.061 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.966 -2.752 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.620 -3.095 9.870 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.269 -5.448 8.896 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.565 -5.052 8.787 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.473 -4.481 11.445 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.824 -7.178 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.444 -8.299 10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.982 -5.927 13.124 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.533 -7.594 12.750 1.00 0.00 H new ATOM 550 N TYR A 38 -8.121 -0.701 8.079 1.00 0.00 N ATOM 551 CA TYR A 38 -8.983 0.178 8.860 1.00 0.00 C ATOM 552 C TYR A 38 -9.421 -0.499 10.156 1.00 0.00 C ATOM 553 O TYR A 38 -9.562 -1.720 10.214 1.00 0.00 O ATOM 554 CB TYR A 38 -10.211 0.579 8.042 1.00 0.00 C ATOM 555 CG TYR A 38 -9.872 1.212 6.711 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.719 0.436 5.570 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.703 2.587 6.596 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.408 1.009 4.352 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.393 3.169 5.382 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.247 2.376 4.263 1.00 0.00 C ATOM 561 OH TYR A 38 -8.938 2.952 3.052 1.00 0.00 O ATOM 0 H TYR A 38 -8.620 -1.341 7.461 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.414 1.073 9.113 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.826 -0.304 7.869 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.813 1.277 8.624 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.845 -0.635 5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.816 3.211 7.470 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.292 0.390 3.475 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.266 4.239 5.310 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.970 2.909 2.907 1.00 0.00 H new ATOM 571 N ASP A 39 -9.634 0.304 11.192 1.00 0.00 N ATOM 572 CA ASP A 39 -10.057 -0.215 12.488 1.00 0.00 C ATOM 573 C ASP A 39 -11.409 0.365 12.890 1.00 0.00 C ATOM 574 O ASP A 39 -11.819 0.269 14.047 1.00 0.00 O ATOM 575 CB ASP A 39 -9.010 0.106 13.556 1.00 0.00 C ATOM 576 CG ASP A 39 -8.962 -0.940 14.652 1.00 0.00 C ATOM 577 OD1 ASP A 39 -10.039 -1.424 15.058 1.00 0.00 O ATOM 578 OD2 ASP A 39 -7.848 -1.275 15.104 1.00 0.00 O ATOM 0 H ASP A 39 -9.521 1.317 11.160 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.158 -1.297 12.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.029 0.182 13.087 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.230 1.079 13.996 1.00 0.00 H new ATOM 583 N GLY A 40 -12.098 0.972 11.928 1.00 0.00 N ATOM 584 CA GLY A 40 -13.395 1.561 12.203 1.00 0.00 C ATOM 585 C GLY A 40 -13.454 3.031 11.836 1.00 0.00 C ATOM 586 O GLY A 40 -13.440 3.896 12.712 1.00 0.00 O ATOM 0 H GLY A 40 -11.781 1.066 10.963 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.161 1.020 11.648 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.626 1.444 13.262 1.00 0.00 H new ATOM 590 N ALA A 41 -13.517 3.314 10.540 1.00 0.00 N ATOM 591 CA ALA A 41 -13.578 4.689 10.060 1.00 0.00 C ATOM 592 C ALA A 41 -12.253 5.409 10.286 1.00 0.00 C ATOM 593 O ALA A 41 -12.206 6.637 10.360 1.00 0.00 O ATOM 594 CB ALA A 41 -14.712 5.438 10.747 1.00 0.00 C ATOM 0 H ALA A 41 -13.527 2.609 9.803 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.770 4.665 8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.746 6.464 10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.659 4.943 10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.544 5.444 11.824 1.00 0.00 H new ATOM 600 N THR A 42 -11.176 4.637 10.397 1.00 0.00 N ATOM 601 CA THR A 42 -9.851 5.199 10.618 1.00 0.00 C ATOM 602 C THR A 42 -8.760 4.211 10.220 1.00 0.00 C ATOM 603 O THR A 42 -8.734 3.076 10.699 1.00 0.00 O ATOM 604 CB THR A 42 -9.649 5.605 12.089 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.684 6.509 12.495 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.291 6.257 12.290 1.00 0.00 C ATOM 0 H THR A 42 -11.197 3.619 10.337 1.00 0.00 H new ATOM 0 HA THR A 42 -9.778 6.088 9.991 1.00 0.00 H new ATOM 0 HB THR A 42 -9.694 4.704 12.700 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.081 6.929 11.703 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.172 6.535 13.337 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.505 5.555 12.009 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.220 7.149 11.668 1.00 0.00 H new ATOM 614 N ILE A 43 -7.862 4.649 9.345 1.00 0.00 N ATOM 615 CA ILE A 43 -6.768 3.802 8.886 1.00 0.00 C ATOM 616 C ILE A 43 -5.778 3.524 10.012 1.00 0.00 C ATOM 617 O ILE A 43 -5.520 4.386 10.853 1.00 0.00 O ATOM 618 CB ILE A 43 -6.017 4.443 7.704 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.007 4.897 6.629 1.00 0.00 C ATOM 620 CG2 ILE A 43 -5.010 3.463 7.122 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.438 5.928 5.680 1.00 0.00 C ATOM 0 H ILE A 43 -7.870 5.585 8.940 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.213 2.863 8.557 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.476 5.317 8.067 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.333 4.029 6.056 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.892 5.310 7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.487 3.931 6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.289 3.183 7.890 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.531 2.572 6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.195 6.203 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.138 6.813 6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.570 5.512 5.168 1.00 0.00 H new ATOM 633 N VAL A 44 -5.224 2.316 10.021 1.00 0.00 N ATOM 634 CA VAL A 44 -4.259 1.924 11.042 1.00 0.00 C ATOM 635 C VAL A 44 -3.354 0.804 10.542 1.00 0.00 C ATOM 636 O VAL A 44 -3.785 -0.110 9.841 1.00 0.00 O ATOM 637 CB VAL A 44 -4.963 1.464 12.332 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.801 2.592 12.915 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.818 0.237 12.062 1.00 0.00 C ATOM 0 H VAL A 44 -5.427 1.591 9.332 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.655 2.804 11.261 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.202 1.194 13.065 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.291 2.248 13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.158 3.441 13.147 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.556 2.897 12.190 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.308 -0.075 12.984 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.573 0.477 11.313 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.187 -0.572 11.695 1.00 0.00 H new ATOM 649 N PRO A 45 -2.066 0.876 10.911 1.00 0.00 N ATOM 650 CA PRO A 45 -1.071 -0.126 10.512 1.00 0.00 C ATOM 651 C PRO A 45 -1.519 -1.547 10.834 1.00 0.00 C ATOM 652 O PRO A 45 -1.646 -1.920 12.000 1.00 0.00 O ATOM 653 CB PRO A 45 0.161 0.248 11.342 1.00 0.00 C ATOM 654 CG PRO A 45 -0.001 1.700 11.627 1.00 0.00 C ATOM 655 CD PRO A 45 -1.481 1.938 11.747 1.00 0.00 C ATOM 0 HA PRO A 45 -0.895 -0.121 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.209 -0.333 12.263 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.082 0.053 10.793 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.514 1.977 12.547 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.428 2.304 10.828 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.817 1.866 12.781 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.759 2.930 11.390 1.00 0.00 H new ATOM 663 N GLY A 46 -1.756 -2.337 9.792 1.00 0.00 N ATOM 664 CA GLY A 46 -2.186 -3.710 9.984 1.00 0.00 C ATOM 665 C GLY A 46 -1.028 -4.647 10.258 1.00 0.00 C ATOM 666 O GLY A 46 -0.435 -4.614 11.337 1.00 0.00 O ATOM 0 H GLY A 46 -1.658 -2.051 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.890 -3.754 10.815 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.720 -4.048 9.096 1.00 0.00 H new ATOM 670 N ASP A 47 -0.706 -5.488 9.281 1.00 0.00 N ATOM 671 CA ASP A 47 0.389 -6.440 9.422 1.00 0.00 C ATOM 672 C ASP A 47 1.725 -5.787 9.081 1.00 0.00 C ATOM 673 O ASP A 47 1.767 -4.658 8.592 1.00 0.00 O ATOM 674 CB ASP A 47 0.157 -7.655 8.522 1.00 0.00 C ATOM 675 CG ASP A 47 -1.172 -8.331 8.794 1.00 0.00 C ATOM 676 OD1 ASP A 47 -1.231 -9.175 9.712 1.00 0.00 O ATOM 677 OD2 ASP A 47 -2.154 -8.015 8.090 1.00 0.00 O ATOM 0 H ASP A 47 -1.188 -5.530 8.383 1.00 0.00 H new ATOM 0 HA ASP A 47 0.420 -6.768 10.461 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.196 -7.343 7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.964 -8.373 8.670 1.00 0.00 H new ATOM 682 N GLN A 48 2.814 -6.504 9.343 1.00 0.00 N ATOM 683 CA GLN A 48 4.150 -5.993 9.066 1.00 0.00 C ATOM 684 C GLN A 48 5.203 -7.076 9.278 1.00 0.00 C ATOM 685 O GLN A 48 5.123 -7.855 10.227 1.00 0.00 O ATOM 686 CB GLN A 48 4.454 -4.788 9.958 1.00 0.00 C ATOM 687 CG GLN A 48 5.384 -3.773 9.313 1.00 0.00 C ATOM 688 CD GLN A 48 6.063 -2.875 10.330 1.00 0.00 C ATOM 689 OE1 GLN A 48 5.989 -1.650 10.240 1.00 0.00 O ATOM 690 NE2 GLN A 48 6.729 -3.483 11.304 1.00 0.00 N ATOM 0 H GLN A 48 2.796 -7.441 9.747 1.00 0.00 H new ATOM 0 HA GLN A 48 4.182 -5.681 8.022 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.518 -4.295 10.220 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.901 -5.139 10.888 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.143 -4.298 8.733 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.817 -3.159 8.613 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.764 -4.502 11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.206 -2.931 12.017 1.00 0.00 H new ATOM 699 N GLY A 49 6.188 -7.120 8.386 1.00 0.00 N ATOM 700 CA GLY A 49 7.242 -8.112 8.493 1.00 0.00 C ATOM 701 C GLY A 49 8.276 -7.980 7.394 1.00 0.00 C ATOM 702 O GLY A 49 8.200 -7.073 6.565 1.00 0.00 O ATOM 0 H GLY A 49 6.275 -6.486 7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.732 -8.014 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.803 -9.109 8.457 1.00 0.00 H new ATOM 706 N ALA A 50 9.247 -8.887 7.385 1.00 0.00 N ATOM 707 CA ALA A 50 10.301 -8.868 6.378 1.00 0.00 C ATOM 708 C ALA A 50 10.073 -9.946 5.324 1.00 0.00 C ATOM 709 O ALA A 50 10.899 -10.140 4.431 1.00 0.00 O ATOM 710 CB ALA A 50 11.662 -9.050 7.035 1.00 0.00 C ATOM 0 H ALA A 50 9.326 -9.644 8.064 1.00 0.00 H new ATOM 0 HA ALA A 50 10.276 -7.899 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.440 -9.034 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.834 -8.241 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.688 -10.005 7.559 1.00 0.00 H new ATOM 716 N ASP A 51 8.949 -10.645 5.433 1.00 0.00 N ATOM 717 CA ASP A 51 8.611 -11.703 4.488 1.00 0.00 C ATOM 718 C ASP A 51 7.473 -11.270 3.570 1.00 0.00 C ATOM 719 O ASP A 51 6.304 -11.305 3.955 1.00 0.00 O ATOM 720 CB ASP A 51 8.221 -12.979 5.236 1.00 0.00 C ATOM 721 CG ASP A 51 8.488 -14.231 4.424 1.00 0.00 C ATOM 722 OD1 ASP A 51 9.662 -14.473 4.075 1.00 0.00 O ATOM 723 OD2 ASP A 51 7.523 -14.968 4.135 1.00 0.00 O ATOM 0 H ASP A 51 8.256 -10.498 6.167 1.00 0.00 H new ATOM 0 HA ASP A 51 9.491 -11.903 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.776 -13.032 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.163 -12.936 5.495 1.00 0.00 H new ATOM 728 N TYR A 52 7.822 -10.860 2.356 1.00 0.00 N ATOM 729 CA TYR A 52 6.830 -10.416 1.384 1.00 0.00 C ATOM 730 C TYR A 52 5.717 -11.447 1.232 1.00 0.00 C ATOM 731 O TYR A 52 4.574 -11.103 0.928 1.00 0.00 O ATOM 732 CB TYR A 52 7.492 -10.161 0.028 1.00 0.00 C ATOM 733 CG TYR A 52 6.669 -9.289 -0.893 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.475 -9.749 -1.435 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.086 -8.005 -1.221 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.721 -8.956 -2.277 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.337 -7.204 -2.062 1.00 0.00 C ATOM 738 CZ TYR A 52 5.156 -7.684 -2.588 1.00 0.00 C ATOM 739 OH TYR A 52 4.406 -6.891 -3.425 1.00 0.00 O ATOM 0 H TYR A 52 8.785 -10.826 2.021 1.00 0.00 H new ATOM 0 HA TYR A 52 6.393 -9.486 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.462 -9.691 0.189 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.679 -11.117 -0.461 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.131 -10.744 -1.193 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.011 -7.626 -0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.796 -9.329 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.675 -6.208 -2.306 1.00 0.00 H new ATOM 0 HH TYR A 52 3.809 -7.454 -3.961 1.00 0.00 H new ATOM 749 N GLN A 53 6.058 -12.714 1.447 1.00 0.00 N ATOM 750 CA GLN A 53 5.087 -13.796 1.335 1.00 0.00 C ATOM 751 C GLN A 53 4.045 -13.710 2.445 1.00 0.00 C ATOM 752 O GLN A 53 2.888 -14.084 2.255 1.00 0.00 O ATOM 753 CB GLN A 53 5.795 -15.151 1.387 1.00 0.00 C ATOM 754 CG GLN A 53 6.551 -15.493 0.113 1.00 0.00 C ATOM 755 CD GLN A 53 5.650 -15.538 -1.106 1.00 0.00 C ATOM 756 OE1 GLN A 53 4.998 -16.548 -1.372 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.608 -14.441 -1.853 1.00 0.00 N ATOM 0 H GLN A 53 6.999 -13.016 1.700 1.00 0.00 H new ATOM 0 HA GLN A 53 4.578 -13.696 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.492 -15.155 2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.057 -15.930 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.337 -14.755 -0.048 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.041 -16.459 0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.165 -13.627 -1.595 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.018 -14.413 -2.685 1.00 0.00 H new ATOM 766 N HIS A 54 4.463 -13.215 3.605 1.00 0.00 N ATOM 767 CA HIS A 54 3.565 -13.079 4.747 1.00 0.00 C ATOM 768 C HIS A 54 2.518 -12.000 4.490 1.00 0.00 C ATOM 769 O HIS A 54 1.366 -12.127 4.906 1.00 0.00 O ATOM 770 CB HIS A 54 4.360 -12.744 6.010 1.00 0.00 C ATOM 771 CG HIS A 54 4.811 -13.951 6.772 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.339 -13.885 8.044 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.809 -15.262 6.435 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.644 -15.103 8.456 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.333 -15.957 7.498 1.00 0.00 N ATOM 0 H HIS A 54 5.418 -12.901 3.780 1.00 0.00 H new ATOM 0 HA HIS A 54 3.053 -14.030 4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.233 -12.152 5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.746 -12.122 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.460 -15.683 5.504 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.074 -15.357 9.413 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.461 -16.968 7.540 1.00 0.00 H new ATOM 784 N PHE A 55 2.925 -10.940 3.801 1.00 0.00 N ATOM 785 CA PHE A 55 2.022 -9.838 3.489 1.00 0.00 C ATOM 786 C PHE A 55 0.917 -10.292 2.539 1.00 0.00 C ATOM 787 O PHE A 55 -0.242 -9.903 2.688 1.00 0.00 O ATOM 788 CB PHE A 55 2.797 -8.674 2.868 1.00 0.00 C ATOM 789 CG PHE A 55 2.076 -8.014 1.728 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.957 -7.232 1.959 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.519 -8.175 0.424 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.291 -6.624 0.911 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.858 -7.569 -0.627 1.00 0.00 C ATOM 794 CZ PHE A 55 0.743 -6.792 -0.383 1.00 0.00 C ATOM 0 H PHE A 55 3.874 -10.820 3.448 1.00 0.00 H new ATOM 0 HA PHE A 55 1.563 -9.504 4.420 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.999 -7.930 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.762 -9.038 2.515 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.600 -7.095 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.391 -8.781 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.582 -6.018 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.213 -7.703 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.225 -6.316 -1.203 1.00 0.00 H new ATOM 804 N ILE A 56 1.286 -11.116 1.565 1.00 0.00 N ATOM 805 CA ILE A 56 0.326 -11.624 0.592 1.00 0.00 C ATOM 806 C ILE A 56 -0.646 -12.605 1.238 1.00 0.00 C ATOM 807 O ILE A 56 -1.715 -12.881 0.695 1.00 0.00 O ATOM 808 CB ILE A 56 1.035 -12.321 -0.585 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.881 -11.315 -1.368 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.015 -12.987 -1.498 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.816 -11.960 -2.367 1.00 0.00 C ATOM 0 H ILE A 56 2.241 -11.446 1.428 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.228 -10.764 0.216 1.00 0.00 H new ATOM 0 HB ILE A 56 1.696 -13.091 -0.187 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.219 -10.627 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.466 -10.720 -0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.531 -13.475 -2.325 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.549 -13.729 -0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.668 -12.234 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.384 -11.187 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.503 -12.626 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.236 -12.532 -3.092 1.00 0.00 H new ATOM 823 N GLN A 57 -0.267 -13.126 2.401 1.00 0.00 N ATOM 824 CA GLN A 57 -1.107 -14.076 3.121 1.00 0.00 C ATOM 825 C GLN A 57 -2.203 -13.353 3.897 1.00 0.00 C ATOM 826 O GLN A 57 -3.034 -13.985 4.549 1.00 0.00 O ATOM 827 CB GLN A 57 -0.258 -14.916 4.077 1.00 0.00 C ATOM 828 CG GLN A 57 0.558 -15.993 3.379 1.00 0.00 C ATOM 829 CD GLN A 57 -0.264 -16.802 2.396 1.00 0.00 C ATOM 830 OE1 GLN A 57 0.166 -17.055 1.271 1.00 0.00 O ATOM 831 NE2 GLN A 57 -1.454 -17.214 2.818 1.00 0.00 N ATOM 0 H GLN A 57 0.615 -12.907 2.864 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.578 -14.734 2.391 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.417 -14.258 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.911 -15.386 4.812 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.392 -15.528 2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.985 -16.662 4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.770 -16.981 3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.052 -17.764 2.201 1.00 0.00 H new ATOM 840 N GLN A 58 -2.196 -12.026 3.825 1.00 0.00 N ATOM 841 CA GLN A 58 -3.189 -11.217 4.522 1.00 0.00 C ATOM 842 C GLN A 58 -4.200 -10.632 3.541 1.00 0.00 C ATOM 843 O GLN A 58 -5.374 -10.462 3.872 1.00 0.00 O ATOM 844 CB GLN A 58 -2.507 -10.093 5.302 1.00 0.00 C ATOM 845 CG GLN A 58 -1.124 -10.461 5.817 1.00 0.00 C ATOM 846 CD GLN A 58 -1.166 -11.115 7.184 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.113 -10.922 7.948 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.138 -11.893 7.500 1.00 0.00 N ATOM 0 H GLN A 58 -1.514 -11.488 3.291 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.720 -11.863 5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.425 -9.215 4.661 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.137 -9.814 6.146 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.645 -11.138 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.508 -9.563 5.867 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.625 -12.025 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.111 -12.359 8.407 1.00 0.00 H new ATOM 857 N CYS A 59 -3.736 -10.324 2.335 1.00 0.00 N ATOM 858 CA CYS A 59 -4.599 -9.756 1.306 1.00 0.00 C ATOM 859 C CYS A 59 -5.493 -10.829 0.692 1.00 0.00 C ATOM 860 O CYS A 59 -5.012 -11.748 0.027 1.00 0.00 O ATOM 861 CB CYS A 59 -3.759 -9.090 0.216 1.00 0.00 C ATOM 862 SG CYS A 59 -2.580 -7.867 0.836 1.00 0.00 S ATOM 0 H CYS A 59 -2.767 -10.458 2.046 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.234 -9.004 1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.214 -9.860 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.426 -8.606 -0.497 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.455 -7.985 0.196 1.00 0.00 H new ATOM 868 N THR A 60 -6.797 -10.708 0.921 1.00 0.00 N ATOM 869 CA THR A 60 -7.758 -11.668 0.393 1.00 0.00 C ATOM 870 C THR A 60 -8.929 -10.962 -0.280 1.00 0.00 C ATOM 871 O THR A 60 -8.998 -9.733 -0.297 1.00 0.00 O ATOM 872 CB THR A 60 -8.299 -12.590 1.503 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.253 -11.884 2.303 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.167 -13.097 2.383 1.00 0.00 C ATOM 0 H THR A 60 -7.212 -9.954 1.469 1.00 0.00 H new ATOM 0 HA THR A 60 -7.228 -12.271 -0.345 1.00 0.00 H new ATOM 0 HB THR A 60 -8.783 -13.446 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.602 -12.480 2.998 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.572 -13.746 3.159 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.457 -13.658 1.775 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.659 -12.251 2.846 1.00 0.00 H new ATOM 882 N ASP A 61 -9.849 -11.745 -0.831 1.00 0.00 N ATOM 883 CA ASP A 61 -11.020 -11.194 -1.505 1.00 0.00 C ATOM 884 C ASP A 61 -12.070 -10.750 -0.491 1.00 0.00 C ATOM 885 O ASP A 61 -13.176 -10.355 -0.861 1.00 0.00 O ATOM 886 CB ASP A 61 -11.619 -12.227 -2.459 1.00 0.00 C ATOM 887 CG ASP A 61 -10.573 -12.864 -3.354 1.00 0.00 C ATOM 888 OD1 ASP A 61 -9.593 -12.174 -3.704 1.00 0.00 O ATOM 889 OD2 ASP A 61 -10.735 -14.051 -3.702 1.00 0.00 O ATOM 0 H ASP A 61 -9.807 -12.764 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.703 -10.323 -2.079 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.120 -13.004 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.379 -11.749 -3.077 1.00 0.00 H new ATOM 894 N ASP A 62 -11.717 -10.818 0.788 1.00 0.00 N ATOM 895 CA ASP A 62 -12.629 -10.424 1.855 1.00 0.00 C ATOM 896 C ASP A 62 -12.024 -9.310 2.704 1.00 0.00 C ATOM 897 O ASP A 62 -12.438 -9.087 3.841 1.00 0.00 O ATOM 898 CB ASP A 62 -12.969 -11.627 2.736 1.00 0.00 C ATOM 899 CG ASP A 62 -11.753 -12.180 3.454 1.00 0.00 C ATOM 900 OD1 ASP A 62 -11.347 -11.585 4.474 1.00 0.00 O ATOM 901 OD2 ASP A 62 -11.208 -13.205 2.996 1.00 0.00 O ATOM 0 H ASP A 62 -10.805 -11.142 1.111 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.544 -10.050 1.396 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.720 -11.335 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.412 -12.410 2.121 1.00 0.00 H new ATOM 906 N VAL A 63 -11.038 -8.616 2.145 1.00 0.00 N ATOM 907 CA VAL A 63 -10.374 -7.526 2.850 1.00 0.00 C ATOM 908 C VAL A 63 -9.700 -6.570 1.872 1.00 0.00 C ATOM 909 O VAL A 63 -9.364 -6.947 0.750 1.00 0.00 O ATOM 910 CB VAL A 63 -9.321 -8.057 3.840 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.189 -8.748 3.095 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.789 -6.928 4.708 1.00 0.00 C ATOM 0 H VAL A 63 -10.681 -8.789 1.205 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.145 -6.991 3.404 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.796 -8.791 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.454 -9.117 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.588 -9.584 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.712 -8.039 2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.046 -7.322 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.329 -6.169 4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.610 -6.483 5.270 1.00 0.00 H new ATOM 922 N ARG A 64 -9.505 -5.328 2.308 1.00 0.00 N ATOM 923 CA ARG A 64 -8.872 -4.317 1.471 1.00 0.00 C ATOM 924 C ARG A 64 -8.070 -3.334 2.320 1.00 0.00 C ATOM 925 O ARG A 64 -8.553 -2.841 3.339 1.00 0.00 O ATOM 926 CB ARG A 64 -9.926 -3.563 0.658 1.00 0.00 C ATOM 927 CG ARG A 64 -10.972 -2.868 1.514 1.00 0.00 C ATOM 928 CD ARG A 64 -12.073 -3.828 1.937 1.00 0.00 C ATOM 929 NE ARG A 64 -12.553 -3.550 3.288 1.00 0.00 N ATOM 930 CZ ARG A 64 -13.139 -2.411 3.640 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.319 -1.450 2.744 1.00 0.00 N ATOM 932 NH2 ARG A 64 -13.550 -2.232 4.888 1.00 0.00 N ATOM 0 H ARG A 64 -9.776 -5.000 3.235 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.190 -4.822 0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.429 -2.821 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.424 -4.263 -0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.497 -2.445 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.406 -2.037 0.957 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.904 -3.758 1.235 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.700 -4.851 1.888 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.432 -4.270 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.007 -1.585 1.782 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.769 -0.576 3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.416 -2.970 5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.000 -1.357 5.156 1.00 0.00 H new ATOM 946 N LEU A 65 -6.844 -3.054 1.892 1.00 0.00 N ATOM 947 CA LEU A 65 -5.974 -2.131 2.613 1.00 0.00 C ATOM 948 C LEU A 65 -4.722 -1.816 1.800 1.00 0.00 C ATOM 949 O LEU A 65 -4.483 -2.414 0.750 1.00 0.00 O ATOM 950 CB LEU A 65 -5.581 -2.721 3.969 1.00 0.00 C ATOM 951 CG LEU A 65 -5.047 -4.153 3.921 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.138 -5.117 3.484 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.849 -4.243 2.988 1.00 0.00 C ATOM 0 H LEU A 65 -6.430 -3.453 1.049 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.524 -1.204 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.822 -2.081 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.451 -2.696 4.625 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.725 -4.433 4.924 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.738 -6.131 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.967 -5.073 4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.493 -4.839 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.481 -5.269 2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.147 -3.942 1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.059 -3.582 3.345 1.00 0.00 H new ATOM 965 N PHE A 66 -3.926 -0.874 2.294 1.00 0.00 N ATOM 966 CA PHE A 66 -2.698 -0.478 1.614 1.00 0.00 C ATOM 967 C PHE A 66 -1.527 -1.350 2.055 1.00 0.00 C ATOM 968 O PHE A 66 -1.564 -1.966 3.119 1.00 0.00 O ATOM 969 CB PHE A 66 -2.387 0.994 1.894 1.00 0.00 C ATOM 970 CG PHE A 66 -3.582 1.894 1.768 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.516 1.975 2.789 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.773 2.659 0.630 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.617 2.802 2.676 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.874 3.488 0.510 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.796 3.560 1.536 1.00 0.00 C ATOM 0 H PHE A 66 -4.109 -0.371 3.162 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.845 -0.613 0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.978 1.085 2.900 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.614 1.331 1.204 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.382 1.385 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.054 2.608 -0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.337 2.855 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.012 4.078 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.655 4.208 1.447 1.00 0.00 H new ATOM 985 N ALA A 67 -0.487 -1.397 1.227 1.00 0.00 N ATOM 986 CA ALA A 67 0.696 -2.192 1.531 1.00 0.00 C ATOM 987 C ALA A 67 1.961 -1.514 1.016 1.00 0.00 C ATOM 988 O ALA A 67 2.209 -1.474 -0.189 1.00 0.00 O ATOM 989 CB ALA A 67 0.563 -3.586 0.936 1.00 0.00 C ATOM 0 H ALA A 67 -0.441 -0.894 0.341 1.00 0.00 H new ATOM 0 HA ALA A 67 0.776 -2.277 2.615 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.454 -4.168 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.314 -4.079 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.454 -3.511 -0.146 1.00 0.00 H new ATOM 995 N PHE A 68 2.758 -0.980 1.936 1.00 0.00 N ATOM 996 CA PHE A 68 3.995 -0.301 1.574 1.00 0.00 C ATOM 997 C PHE A 68 5.183 -1.256 1.654 1.00 0.00 C ATOM 998 O PHE A 68 5.614 -1.639 2.742 1.00 0.00 O ATOM 999 CB PHE A 68 4.231 0.901 2.491 1.00 0.00 C ATOM 1000 CG PHE A 68 5.567 1.557 2.290 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.721 2.574 1.361 1.00 0.00 C ATOM 1002 CD2 PHE A 68 6.667 1.157 3.030 1.00 0.00 C ATOM 1003 CE1 PHE A 68 6.950 3.178 1.174 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.898 1.759 2.847 1.00 0.00 C ATOM 1005 CZ PHE A 68 8.039 2.771 1.918 1.00 0.00 C ATOM 0 H PHE A 68 2.568 -1.005 2.938 1.00 0.00 H new ATOM 0 HA PHE A 68 3.900 0.049 0.546 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.445 1.637 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.147 0.578 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.872 2.898 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.562 0.366 3.758 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.058 3.968 0.446 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.749 1.438 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.000 3.243 1.774 1.00 0.00 H new ATOM 1015 N VAL A 69 5.708 -1.637 0.495 1.00 0.00 N ATOM 1016 CA VAL A 69 6.846 -2.547 0.433 1.00 0.00 C ATOM 1017 C VAL A 69 8.084 -1.843 -0.111 1.00 0.00 C ATOM 1018 O VAL A 69 7.987 -0.975 -0.979 1.00 0.00 O ATOM 1019 CB VAL A 69 6.538 -3.773 -0.449 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.705 -4.748 -0.435 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.258 -4.453 0.014 1.00 0.00 C ATOM 0 H VAL A 69 5.364 -1.330 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 69 7.039 -2.881 1.452 1.00 0.00 H new ATOM 0 HB VAL A 69 6.392 -3.434 -1.475 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.469 -5.607 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.597 -4.253 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.886 -5.084 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.055 -5.317 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.373 -4.780 1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.428 -3.750 -0.054 1.00 0.00 H new ATOM 1031 N ARG A 70 9.248 -2.221 0.406 1.00 0.00 N ATOM 1032 CA ARG A 70 10.506 -1.625 -0.026 1.00 0.00 C ATOM 1033 C ARG A 70 11.153 -2.459 -1.128 1.00 0.00 C ATOM 1034 O ARG A 70 11.474 -3.631 -0.926 1.00 0.00 O ATOM 1035 CB ARG A 70 11.466 -1.493 1.158 1.00 0.00 C ATOM 1036 CG ARG A 70 12.904 -1.220 0.748 1.00 0.00 C ATOM 1037 CD ARG A 70 13.773 -0.891 1.952 1.00 0.00 C ATOM 1038 NE ARG A 70 15.196 -1.032 1.654 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.128 -1.203 2.586 1.00 0.00 C ATOM 1040 NH1 ARG A 70 15.789 -1.254 3.866 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.403 -1.325 2.236 1.00 0.00 N ATOM 0 H ARG A 70 9.346 -2.938 1.125 1.00 0.00 H new ATOM 0 HA ARG A 70 10.291 -0.633 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.122 -0.686 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.433 -2.410 1.746 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.308 -2.091 0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.931 -0.391 0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.570 0.129 2.278 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.509 -1.549 2.780 1.00 0.00 H new ATOM 0 HE ARG A 70 15.490 -0.997 0.678 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.810 -1.162 4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.507 -1.385 4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.667 -1.287 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.118 -1.456 2.952 1.00 0.00 H new ATOM 1239 N PHE A 83 10.263 1.885 -3.249 1.00 0.00 N ATOM 1240 CA PHE A 83 9.075 1.471 -2.514 1.00 0.00 C ATOM 1241 C PHE A 83 7.834 1.541 -3.400 1.00 0.00 C ATOM 1242 O PHE A 83 7.928 1.822 -4.595 1.00 0.00 O ATOM 1243 CB PHE A 83 8.882 2.349 -1.276 1.00 0.00 C ATOM 1244 CG PHE A 83 10.135 2.531 -0.468 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.037 3.535 -0.781 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.413 1.696 0.602 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.192 3.704 -0.040 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.565 1.861 1.347 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.456 2.866 1.025 1.00 0.00 C ATOM 0 HA PHE A 83 9.217 0.437 -2.199 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.515 3.327 -1.588 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.112 1.907 -0.643 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.836 4.193 -1.613 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.721 0.907 0.857 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.887 4.491 -0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.768 1.205 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.358 2.996 1.605 1.00 0.00 H new ATOM 1259 N ALA A 84 6.674 1.285 -2.805 1.00 0.00 N ATOM 1260 CA ALA A 84 5.415 1.322 -3.539 1.00 0.00 C ATOM 1261 C ALA A 84 4.236 1.027 -2.620 1.00 0.00 C ATOM 1262 O ALA A 84 4.256 0.061 -1.857 1.00 0.00 O ATOM 1263 CB ALA A 84 5.449 0.331 -4.693 1.00 0.00 C ATOM 0 H ALA A 84 6.580 1.050 -1.817 1.00 0.00 H new ATOM 0 HA ALA A 84 5.285 2.327 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.503 0.369 -5.233 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.264 0.589 -5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.605 -0.675 -4.304 1.00 0.00 H new ATOM 1269 N LEU A 85 3.207 1.865 -2.697 1.00 0.00 N ATOM 1270 CA LEU A 85 2.017 1.693 -1.872 1.00 0.00 C ATOM 1271 C LEU A 85 0.998 0.796 -2.565 1.00 0.00 C ATOM 1272 O LEU A 85 0.099 1.276 -3.254 1.00 0.00 O ATOM 1273 CB LEU A 85 1.388 3.054 -1.559 1.00 0.00 C ATOM 1274 CG LEU A 85 0.679 3.144 -0.208 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.588 2.649 0.907 1.00 0.00 C ATOM 1276 CD2 LEU A 85 0.230 4.572 0.063 1.00 0.00 C ATOM 0 H LEU A 85 3.174 2.670 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 85 2.318 1.215 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.168 3.814 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.672 3.296 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.204 2.505 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.066 2.721 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.861 1.610 0.720 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.490 3.261 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.273 4.618 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.099 5.231 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.458 4.892 -0.720 1.00 0.00 H new ATOM 1288 N ILE A 86 1.145 -0.511 -2.375 1.00 0.00 N ATOM 1289 CA ILE A 86 0.237 -1.477 -2.980 1.00 0.00 C ATOM 1290 C ILE A 86 -1.127 -1.454 -2.298 1.00 0.00 C ATOM 1291 O ILE A 86 -1.286 -1.960 -1.187 1.00 0.00 O ATOM 1292 CB ILE A 86 0.807 -2.906 -2.913 1.00 0.00 C ATOM 1293 CG1 ILE A 86 1.965 -3.064 -3.902 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.284 -3.927 -3.201 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.003 -4.071 -3.459 1.00 0.00 C ATOM 0 H ILE A 86 1.884 -0.925 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 86 0.123 -1.189 -4.025 1.00 0.00 H new ATOM 0 HB ILE A 86 1.186 -3.082 -1.906 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.567 -3.367 -4.870 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.446 -2.096 -4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.135 -4.932 -3.150 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.079 -3.828 -2.462 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.690 -3.754 -4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.794 -4.132 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.429 -3.759 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.536 -5.049 -3.345 1.00 0.00 H new ATOM 1307 N THR A 87 -2.109 -0.864 -2.971 1.00 0.00 N ATOM 1308 CA THR A 87 -3.460 -0.774 -2.430 1.00 0.00 C ATOM 1309 C THR A 87 -4.271 -2.019 -2.769 1.00 0.00 C ATOM 1310 O THR A 87 -4.785 -2.155 -3.880 1.00 0.00 O ATOM 1311 CB THR A 87 -4.199 0.467 -2.966 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.564 1.659 -2.490 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.657 0.456 -2.535 1.00 0.00 C ATOM 0 H THR A 87 -1.995 -0.441 -3.892 1.00 0.00 H new ATOM 0 HA THR A 87 -3.362 -0.690 -1.348 1.00 0.00 H new ATOM 0 HB THR A 87 -4.159 0.445 -4.055 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.767 1.780 -1.539 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.158 1.342 -2.925 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.145 -0.438 -2.924 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.715 0.456 -1.447 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.383 -2.927 -1.804 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.134 -4.162 -2.001 1.00 0.00 C ATOM 1323 C TRP A 88 -6.628 -3.929 -1.800 1.00 0.00 C ATOM 1324 O TRP A 88 -7.033 -3.182 -0.909 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.639 -5.242 -1.039 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.503 -6.467 -1.025 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.248 -6.932 0.020 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.708 -7.383 -2.106 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.906 -8.082 -0.345 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.591 -8.379 -1.646 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.234 -7.458 -3.418 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.007 -9.436 -2.451 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.647 -8.508 -4.217 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.527 -9.484 -3.732 1.00 0.00 C ATOM 0 H TRP A 88 -3.964 -2.831 -0.879 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.973 -4.497 -3.026 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.623 -5.526 -1.314 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.592 -4.828 -0.032 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.311 -6.465 0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.527 -8.626 0.254 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.557 -6.709 -3.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.684 -10.191 -2.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.285 -8.577 -5.232 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.833 -10.291 -4.382 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.440 -4.575 -2.629 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.888 -4.438 -2.540 1.00 0.00 C ATOM 1347 C ILE A 89 -9.588 -5.733 -2.938 1.00 0.00 C ATOM 1348 O ILE A 89 -9.748 -6.026 -4.121 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.402 -3.295 -3.434 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.689 -1.986 -3.087 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.908 -3.139 -3.282 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.969 -0.867 -4.065 1.00 0.00 C ATOM 0 H ILE A 89 -7.120 -5.199 -3.370 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.119 -4.207 -1.500 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.184 -3.542 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.993 -1.670 -2.089 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.615 -2.166 -3.051 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.256 -2.327 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.401 -4.066 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.147 -2.912 -2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.431 0.029 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.639 -1.163 -5.061 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.039 -0.660 -4.084 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.005 -6.505 -1.938 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.685 -7.759 -2.203 1.00 0.00 C ATOM 1366 C GLY A 90 -11.523 -7.708 -3.465 1.00 0.00 C ATOM 1367 O GLY A 90 -12.298 -6.773 -3.665 1.00 0.00 O ATOM 0 H GLY A 90 -9.884 -6.284 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.948 -8.557 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.324 -8.008 -1.356 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.369 -8.716 -4.318 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.117 -8.780 -5.568 1.00 0.00 C ATOM 1373 C GLU A 91 -13.568 -9.180 -5.314 1.00 0.00 C ATOM 1374 O GLU A 91 -14.341 -9.380 -6.251 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.463 -9.774 -6.530 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.686 -9.439 -7.995 1.00 0.00 C ATOM 1377 CD GLU A 91 -12.978 -10.021 -8.536 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -13.329 -11.153 -8.143 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -13.637 -9.344 -9.353 1.00 0.00 O ATOM 0 H GLU A 91 -10.733 -9.499 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.105 -7.788 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.392 -9.807 -6.332 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.855 -10.771 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.700 -8.356 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.848 -9.816 -8.582 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.929 -9.295 -4.041 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.286 -9.671 -3.662 1.00 0.00 C ATOM 1388 C ASP A 92 -15.961 -8.550 -2.879 1.00 0.00 C ATOM 1389 O ASP A 92 -17.188 -8.459 -2.838 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.268 -10.954 -2.829 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.558 -11.742 -2.952 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.155 -11.735 -4.048 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.972 -12.363 -1.951 1.00 0.00 O ATOM 0 H ASP A 92 -13.301 -9.133 -3.254 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.857 -9.847 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.433 -11.578 -3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.098 -10.702 -1.782 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.153 -7.700 -2.255 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.672 -6.585 -1.472 1.00 0.00 C ATOM 1400 C VAL A 93 -16.698 -5.786 -2.268 1.00 0.00 C ATOM 1401 O VAL A 93 -16.569 -5.623 -3.481 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.541 -5.641 -1.022 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.568 -6.371 -0.109 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.821 -5.059 -2.228 1.00 0.00 C ATOM 0 H VAL A 93 -14.135 -7.762 -2.276 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.151 -7.012 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.981 -4.817 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.776 -5.688 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.098 -6.733 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.132 -7.216 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.025 -4.395 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.392 -5.867 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.529 -4.497 -2.838 1.00 0.00 H new ATOM 1414 N SER A 94 -17.719 -5.290 -1.576 1.00 0.00 N ATOM 1415 CA SER A 94 -18.771 -4.511 -2.218 1.00 0.00 C ATOM 1416 C SER A 94 -18.234 -3.168 -2.704 1.00 0.00 C ATOM 1417 O SER A 94 -17.376 -2.562 -2.063 1.00 0.00 O ATOM 1418 CB SER A 94 -19.934 -4.287 -1.249 1.00 0.00 C ATOM 1419 OG SER A 94 -21.078 -3.802 -1.929 1.00 0.00 O ATOM 0 H SER A 94 -17.840 -5.414 -0.571 1.00 0.00 H new ATOM 0 HA SER A 94 -19.129 -5.073 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.176 -5.222 -0.744 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.637 -3.576 -0.478 1.00 0.00 H new ATOM 0 HG SER A 94 -21.807 -3.669 -1.288 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.744 -2.709 -3.841 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.305 -1.441 -4.395 1.00 0.00 C ATOM 1427 C GLY A 95 -17.941 -0.435 -3.321 1.00 0.00 C ATOM 1428 O GLY A 95 -16.807 0.039 -3.263 1.00 0.00 O ATOM 0 H GLY A 95 -19.455 -3.193 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.442 -1.609 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.095 -1.029 -5.022 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.907 -0.106 -2.470 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.684 0.852 -1.393 1.00 0.00 C ATOM 1434 C LEU A 96 -17.257 0.754 -0.865 1.00 0.00 C ATOM 1435 O LEU A 96 -16.485 1.709 -0.952 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.679 0.613 -0.255 1.00 0.00 C ATOM 1437 CG LEU A 96 -20.134 1.873 0.481 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -21.314 1.564 1.390 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -18.984 2.465 1.282 1.00 0.00 C ATOM 0 H LEU A 96 -19.852 -0.489 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.836 1.854 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.557 0.110 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.226 -0.067 0.466 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.454 2.607 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.624 2.473 1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -22.143 1.185 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -21.021 0.813 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -19.325 3.361 1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.635 1.735 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -18.167 2.724 0.609 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.913 -0.406 -0.316 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.579 -0.629 0.227 1.00 0.00 C ATOM 1453 C GLN A 97 -14.507 -0.158 -0.751 1.00 0.00 C ATOM 1454 O GLN A 97 -13.565 0.537 -0.366 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.376 -2.111 0.549 1.00 0.00 C ATOM 1456 CG GLN A 97 -16.100 -2.565 1.806 1.00 0.00 C ATOM 1457 CD GLN A 97 -17.488 -3.102 1.519 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -18.296 -2.446 0.862 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.772 -4.302 2.012 1.00 0.00 N ATOM 0 H GLN A 97 -17.540 -1.206 -0.235 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.488 -0.049 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.721 -2.708 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.310 -2.307 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -15.511 -3.337 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.175 -1.728 2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.071 -4.811 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -18.691 -4.715 1.851 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.658 -0.539 -2.014 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.702 -0.156 -3.046 1.00 0.00 C ATOM 1470 C ARG A 98 -13.754 1.346 -3.305 1.00 0.00 C ATOM 1471 O ARG A 98 -12.744 1.963 -3.646 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.986 -0.918 -4.342 1.00 0.00 C ATOM 1473 CG ARG A 98 -13.217 -0.388 -5.542 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.878 -0.793 -6.850 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.936 -0.779 -7.966 1.00 0.00 N ATOM 1476 CZ ARG A 98 -12.595 0.320 -8.628 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.117 1.491 -8.286 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -11.731 0.251 -9.632 1.00 0.00 N ATOM 0 H ARG A 98 -15.433 -1.112 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.703 -0.412 -2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.737 -1.969 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -15.054 -0.870 -4.555 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -13.156 0.699 -5.485 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.195 -0.767 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.304 -1.791 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.704 -0.115 -7.064 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.517 -1.663 -8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.781 1.547 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.854 2.335 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.327 -0.648 -9.897 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.470 1.097 -10.139 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.937 1.929 -3.143 1.00 0.00 N ATOM 1493 CA ALA A 99 -15.121 3.359 -3.358 1.00 0.00 C ATOM 1494 C ALA A 99 -14.623 4.162 -2.160 1.00 0.00 C ATOM 1495 O ALA A 99 -14.410 5.371 -2.256 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.585 3.669 -3.631 1.00 0.00 C ATOM 0 H ALA A 99 -15.783 1.433 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.532 3.649 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.707 4.741 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.911 3.131 -4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -17.188 3.358 -2.778 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.441 3.483 -1.033 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.968 4.132 0.184 1.00 0.00 C ATOM 1504 C LYS A 100 -12.462 3.952 0.347 1.00 0.00 C ATOM 1505 O LYS A 100 -11.773 4.834 0.861 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.695 3.565 1.405 1.00 0.00 C ATOM 1507 CG LYS A 100 -16.195 3.811 1.389 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.517 5.293 1.479 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.650 5.920 0.100 1.00 0.00 C ATOM 1510 NZ LYS A 100 -18.055 5.886 -0.392 1.00 0.00 N ATOM 0 H LYS A 100 -14.614 2.482 -0.937 1.00 0.00 H new ATOM 0 HA LYS A 100 -14.182 5.198 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.512 2.492 1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.272 4.008 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.623 3.400 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.660 3.285 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.445 5.432 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.732 5.803 2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -16.303 6.953 0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -16.006 5.391 -0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.103 6.323 -1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -18.379 4.899 -0.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.666 6.412 0.265 1.00 0.00 H new ATOM 1524 N THR A 101 -11.957 2.805 -0.095 1.00 0.00 N ATOM 1525 CA THR A 101 -10.533 2.510 0.001 1.00 0.00 C ATOM 1526 C THR A 101 -9.711 3.483 -0.836 1.00 0.00 C ATOM 1527 O THR A 101 -8.600 3.854 -0.462 1.00 0.00 O ATOM 1528 CB THR A 101 -10.225 1.072 -0.454 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.093 0.150 0.213 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.775 0.710 -0.166 1.00 0.00 C ATOM 0 H THR A 101 -12.513 2.065 -0.523 1.00 0.00 H new ATOM 0 HA THR A 101 -10.259 2.618 1.051 1.00 0.00 H new ATOM 0 HB THR A 101 -10.390 1.013 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.941 0.089 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.582 -0.311 -0.497 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.116 1.395 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.587 0.786 0.905 1.00 0.00 H new ATOM 1538 N GLY A 102 -10.267 3.895 -1.972 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.572 4.822 -2.845 1.00 0.00 C ATOM 1540 C GLY A 102 -9.603 6.245 -2.322 1.00 0.00 C ATOM 1541 O GLY A 102 -8.620 6.978 -2.435 1.00 0.00 O ATOM 0 H GLY A 102 -11.187 3.603 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.536 4.502 -2.958 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.025 4.792 -3.836 1.00 0.00 H new ATOM 1545 N THR A 103 -10.737 6.638 -1.749 1.00 0.00 N ATOM 1546 CA THR A 103 -10.894 7.983 -1.210 1.00 0.00 C ATOM 1547 C THR A 103 -10.044 8.177 0.040 1.00 0.00 C ATOM 1548 O THR A 103 -9.608 9.289 0.340 1.00 0.00 O ATOM 1549 CB THR A 103 -12.366 8.283 -0.867 1.00 0.00 C ATOM 1550 OG1 THR A 103 -13.165 8.228 -2.055 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.503 9.652 -0.220 1.00 0.00 C ATOM 0 H THR A 103 -11.560 6.044 -1.647 1.00 0.00 H new ATOM 0 HA THR A 103 -10.561 8.674 -1.984 1.00 0.00 H new ATOM 0 HB THR A 103 -12.713 7.530 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.565 7.337 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.551 9.841 0.013 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.916 9.681 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.140 10.417 -0.907 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.811 7.090 0.767 1.00 0.00 N ATOM 1560 CA ASP A 104 -9.011 7.140 1.984 1.00 0.00 C ATOM 1561 C ASP A 104 -7.528 6.965 1.668 1.00 0.00 C ATOM 1562 O ASP A 104 -6.697 6.872 2.571 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.467 6.057 2.965 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.929 6.197 3.342 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.518 7.259 3.050 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.482 5.245 3.930 1.00 0.00 O ATOM 0 H ASP A 104 -10.166 6.162 0.534 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.154 8.119 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.302 5.075 2.521 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.856 6.106 3.866 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.205 6.921 0.380 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.823 6.757 -0.057 1.00 0.00 C ATOM 1573 C LYS A 105 -5.035 8.048 0.138 1.00 0.00 C ATOM 1574 O LYS A 105 -3.837 8.019 0.424 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.779 6.337 -1.527 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.405 6.482 -2.159 1.00 0.00 C ATOM 1577 CD LYS A 105 -4.228 7.850 -2.799 1.00 0.00 C ATOM 1578 CE LYS A 105 -5.063 7.987 -4.063 1.00 0.00 C ATOM 1579 NZ LYS A 105 -5.464 9.399 -4.312 1.00 0.00 N ATOM 0 H LYS A 105 -7.881 6.997 -0.380 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.365 5.977 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.100 5.299 -1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.494 6.937 -2.090 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.637 6.332 -1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -4.266 5.706 -2.912 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.513 8.625 -2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -3.176 8.008 -3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.495 7.615 -4.916 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.955 7.366 -3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -6.031 9.450 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.028 9.746 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -4.613 9.988 -4.418 1.00 0.00 H new ATOM 1593 N THR A 106 -5.714 9.181 -0.015 1.00 0.00 N ATOM 1594 CA THR A 106 -5.077 10.482 0.144 1.00 0.00 C ATOM 1595 C THR A 106 -4.481 10.635 1.539 1.00 0.00 C ATOM 1596 O THR A 106 -3.574 11.438 1.752 1.00 0.00 O ATOM 1597 CB THR A 106 -6.074 11.630 -0.104 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.834 11.370 -1.290 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.347 12.958 -0.242 1.00 0.00 C ATOM 0 H THR A 106 -6.706 9.223 -0.249 1.00 0.00 H new ATOM 0 HA THR A 106 -4.280 10.536 -0.597 1.00 0.00 H new ATOM 0 HB THR A 106 -6.746 11.690 0.752 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.467 12.103 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.072 13.753 -0.417 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.793 13.166 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.654 12.908 -1.082 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.996 9.857 2.486 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.514 9.906 3.861 1.00 0.00 C ATOM 1609 C LEU A 107 -3.204 9.139 4.006 1.00 0.00 C ATOM 1610 O LEU A 107 -2.232 9.646 4.565 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.564 9.330 4.813 1.00 0.00 C ATOM 1612 CG LEU A 107 -6.922 10.033 4.780 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -7.566 9.888 3.411 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.835 9.478 5.862 1.00 0.00 C ATOM 0 H LEU A 107 -5.747 9.185 2.326 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.334 10.950 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.711 8.277 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.174 9.374 5.830 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.765 11.094 4.973 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.531 10.395 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.919 10.334 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.710 8.831 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.797 9.989 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.985 8.411 5.699 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.379 9.635 6.839 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.186 7.910 3.498 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.995 7.071 3.569 1.00 0.00 C ATOM 1628 C VAL A 108 -0.822 7.720 2.845 1.00 0.00 C ATOM 1629 O VAL A 108 0.333 7.566 3.246 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.254 5.679 2.962 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.060 4.765 3.195 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.522 5.071 3.540 1.00 0.00 C ATOM 0 H VAL A 108 -3.982 7.474 3.033 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.748 6.959 4.625 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.392 5.791 1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.261 3.786 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.175 5.196 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.888 4.657 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.688 4.088 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.418 4.971 4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.371 5.717 3.316 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.122 8.446 1.774 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.092 9.122 0.993 1.00 0.00 C ATOM 1644 C LYS A 109 0.595 10.204 1.820 1.00 0.00 C ATOM 1645 O LYS A 109 1.800 10.423 1.691 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.703 9.739 -0.267 1.00 0.00 C ATOM 1647 CG LYS A 109 0.240 10.677 -1.003 1.00 0.00 C ATOM 1648 CD LYS A 109 0.097 12.108 -0.511 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.231 12.714 -0.936 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.122 13.434 -2.235 1.00 0.00 N ATOM 0 H LYS A 109 -2.071 8.582 1.426 1.00 0.00 H new ATOM 0 HA LYS A 109 0.654 8.382 0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.007 8.939 -0.942 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.605 10.286 0.007 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.268 10.344 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.034 10.636 -2.073 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.177 12.130 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.916 12.712 -0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.980 11.926 -1.019 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.578 13.404 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.048 13.833 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.426 14.202 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.815 12.771 -2.975 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.177 10.875 2.668 1.00 0.00 N ATOM 1665 CA GLU A 110 0.360 11.933 3.515 1.00 0.00 C ATOM 1666 C GLU A 110 1.655 11.487 4.188 1.00 0.00 C ATOM 1667 O GLU A 110 2.617 12.250 4.276 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.665 12.337 4.577 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.059 12.571 4.019 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.083 13.632 2.936 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.082 14.368 2.805 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -3.101 13.727 2.220 1.00 0.00 O ATOM 0 H GLU A 110 -1.176 10.705 2.787 1.00 0.00 H new ATOM 0 HA GLU A 110 0.576 12.794 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.713 11.558 5.338 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.324 13.246 5.072 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.446 11.636 3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.725 12.868 4.829 1.00 0.00 H new ATOM 1679 N VAL A 111 1.672 10.245 4.661 1.00 0.00 N ATOM 1680 CA VAL A 111 2.848 9.695 5.326 1.00 0.00 C ATOM 1681 C VAL A 111 3.813 9.083 4.317 1.00 0.00 C ATOM 1682 O VAL A 111 5.031 9.183 4.467 1.00 0.00 O ATOM 1683 CB VAL A 111 2.459 8.625 6.362 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.700 7.960 6.935 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.613 9.237 7.468 1.00 0.00 C ATOM 0 H VAL A 111 0.884 9.600 4.596 1.00 0.00 H new ATOM 0 HA VAL A 111 3.338 10.523 5.838 1.00 0.00 H new ATOM 0 HB VAL A 111 1.865 7.860 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.405 7.207 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.262 7.485 6.131 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.324 8.711 7.420 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.347 8.466 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.180 10.023 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.705 9.661 7.039 1.00 0.00 H new ATOM 1695 N VAL A 112 3.261 8.450 3.287 1.00 0.00 N ATOM 1696 CA VAL A 112 4.073 7.822 2.251 1.00 0.00 C ATOM 1697 C VAL A 112 4.183 8.717 1.023 1.00 0.00 C ATOM 1698 O VAL A 112 3.288 8.741 0.178 1.00 0.00 O ATOM 1699 CB VAL A 112 3.490 6.460 1.830 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.251 5.898 0.639 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.517 5.485 2.997 1.00 0.00 C ATOM 0 H VAL A 112 2.255 8.358 3.147 1.00 0.00 H new ATOM 0 HA VAL A 112 5.065 7.668 2.675 1.00 0.00 H new ATOM 0 HB VAL A 112 2.452 6.606 1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.825 4.936 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.175 6.589 -0.200 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.299 5.766 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.101 4.528 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.546 5.342 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.923 5.885 3.819 1.00 0.00 H new ATOM 1711 N GLN A 113 5.288 9.450 0.929 1.00 0.00 N ATOM 1712 CA GLN A 113 5.516 10.348 -0.198 1.00 0.00 C ATOM 1713 C GLN A 113 6.831 10.023 -0.896 1.00 0.00 C ATOM 1714 O GLN A 113 6.959 10.186 -2.108 1.00 0.00 O ATOM 1715 CB GLN A 113 5.521 11.803 0.275 1.00 0.00 C ATOM 1716 CG GLN A 113 4.359 12.150 1.192 1.00 0.00 C ATOM 1717 CD GLN A 113 4.014 13.626 1.164 1.00 0.00 C ATOM 1718 OE1 GLN A 113 4.823 14.456 0.748 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.808 13.961 1.607 1.00 0.00 N ATOM 0 H GLN A 113 6.039 9.440 1.619 1.00 0.00 H new ATOM 0 HA GLN A 113 4.704 10.208 -0.911 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.457 12.003 0.797 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.495 12.459 -0.595 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.484 11.571 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.607 11.858 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.170 13.240 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.520 14.939 1.612 1.00 0.00 H new ATOM 1728 N ASN A 114 7.808 9.560 -0.122 1.00 0.00 N ATOM 1729 CA ASN A 114 9.114 9.212 -0.666 1.00 0.00 C ATOM 1730 C ASN A 114 9.014 8.005 -1.594 1.00 0.00 C ATOM 1731 O ASN A 114 9.821 7.841 -2.509 1.00 0.00 O ATOM 1732 CB ASN A 114 10.100 8.918 0.466 1.00 0.00 C ATOM 1733 CG ASN A 114 11.545 8.988 0.009 1.00 0.00 C ATOM 1734 OD1 ASN A 114 12.070 8.037 -0.571 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.194 10.117 0.269 1.00 0.00 N ATOM 0 H ASN A 114 7.719 9.418 0.884 1.00 0.00 H new ATOM 0 HA ASN A 114 9.477 10.063 -1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.943 9.631 1.275 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.898 7.927 0.872 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.168 10.222 -0.015 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.718 10.879 0.752 1.00 0.00 H new ATOM 1742 N PHE A 115 8.016 7.160 -1.352 1.00 0.00 N ATOM 1743 CA PHE A 115 7.809 5.968 -2.164 1.00 0.00 C ATOM 1744 C PHE A 115 7.743 6.325 -3.647 1.00 0.00 C ATOM 1745 O PHE A 115 8.018 7.460 -4.036 1.00 0.00 O ATOM 1746 CB PHE A 115 6.523 5.255 -1.743 1.00 0.00 C ATOM 1747 CG PHE A 115 5.306 5.720 -2.490 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.223 7.020 -2.964 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.246 4.859 -2.719 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.105 7.452 -3.652 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.125 5.285 -3.408 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.054 6.583 -3.873 1.00 0.00 C ATOM 0 H PHE A 115 7.338 7.280 -0.599 1.00 0.00 H new ATOM 0 HA PHE A 115 8.655 5.300 -2.006 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.645 4.183 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.365 5.409 -0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.042 7.703 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.295 3.843 -2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.053 8.467 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.306 4.603 -3.582 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.178 6.918 -4.409 1.00 0.00 H new ATOM 1762 N ALA A 116 7.378 5.346 -4.469 1.00 0.00 N ATOM 1763 CA ALA A 116 7.275 5.557 -5.908 1.00 0.00 C ATOM 1764 C ALA A 116 5.849 5.916 -6.309 1.00 0.00 C ATOM 1765 O ALA A 116 5.574 7.040 -6.730 1.00 0.00 O ATOM 1766 CB ALA A 116 7.740 4.317 -6.657 1.00 0.00 C ATOM 0 H ALA A 116 7.149 4.400 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 116 7.921 6.393 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.658 4.488 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.778 4.106 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.117 3.468 -6.376 1.00 0.00 H new ATOM 1772 N LYS A 117 4.942 4.953 -6.178 1.00 0.00 N ATOM 1773 CA LYS A 117 3.542 5.167 -6.526 1.00 0.00 C ATOM 1774 C LYS A 117 2.653 4.106 -5.884 1.00 0.00 C ATOM 1775 O LYS A 117 3.138 3.068 -5.433 1.00 0.00 O ATOM 1776 CB LYS A 117 3.364 5.144 -8.046 1.00 0.00 C ATOM 1777 CG LYS A 117 2.021 4.596 -8.493 1.00 0.00 C ATOM 1778 CD LYS A 117 1.995 4.336 -9.989 1.00 0.00 C ATOM 1779 CE LYS A 117 0.680 3.703 -10.422 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.568 3.619 -11.905 1.00 0.00 N ATOM 0 H LYS A 117 5.152 4.016 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 117 3.244 6.144 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.480 6.157 -8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.158 4.541 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.809 3.670 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.233 5.303 -8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.143 5.274 -10.525 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.822 3.680 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.600 2.704 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.152 4.287 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.341 3.182 -12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.619 4.575 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.347 3.041 -12.280 1.00 0.00 H new ATOM 1794 N GLU A 118 1.352 4.374 -5.847 1.00 0.00 N ATOM 1795 CA GLU A 118 0.397 3.442 -5.261 1.00 0.00 C ATOM 1796 C GLU A 118 -0.035 2.391 -6.281 1.00 0.00 C ATOM 1797 O GLU A 118 -0.434 2.722 -7.397 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.827 4.194 -4.736 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.488 5.082 -5.776 1.00 0.00 C ATOM 1800 CD GLU A 118 -2.988 5.192 -5.582 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.537 4.431 -4.758 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.613 6.040 -6.253 1.00 0.00 O ATOM 0 H GLU A 118 0.935 5.229 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 118 0.887 2.935 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.557 3.472 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.529 4.806 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.046 6.077 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.282 4.686 -6.770 1.00 0.00 H new ATOM 1809 N PHE A 119 0.049 1.125 -5.889 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.332 0.026 -6.768 1.00 0.00 C ATOM 1811 C PHE A 119 -1.681 -0.558 -6.357 1.00 0.00 C ATOM 1812 O PHE A 119 -1.768 -1.350 -5.419 1.00 0.00 O ATOM 1813 CB PHE A 119 0.737 -1.068 -6.745 1.00 0.00 C ATOM 1814 CG PHE A 119 1.945 -0.743 -7.577 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.451 0.545 -7.614 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.574 -1.728 -8.321 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.562 0.847 -8.380 1.00 0.00 C ATOM 1818 CE2 PHE A 119 3.685 -1.433 -9.089 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.180 -0.143 -9.118 1.00 0.00 C ATOM 0 H PHE A 119 0.378 0.834 -4.968 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.419 0.419 -7.781 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.050 -1.237 -5.715 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.299 -2.000 -7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.972 1.323 -7.038 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.192 -2.738 -8.301 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.946 1.856 -8.401 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.165 -2.210 -9.666 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.048 0.090 -9.717 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.732 -0.159 -7.067 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.077 -0.642 -6.779 1.00 0.00 C ATOM 1831 C VAL A 120 -4.295 -2.037 -7.351 1.00 0.00 C ATOM 1832 O VAL A 120 -4.534 -2.197 -8.549 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.148 0.308 -7.346 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -5.042 0.387 -8.861 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -6.538 -0.143 -6.924 1.00 0.00 C ATOM 0 H VAL A 120 -2.677 0.498 -7.846 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.174 -0.680 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.976 1.305 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.806 1.063 -9.244 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.056 0.760 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -5.187 -0.605 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.282 0.540 -7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.724 -1.149 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.606 -0.143 -5.836 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.212 -3.045 -6.489 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.402 -4.427 -6.910 1.00 0.00 C ATOM 1847 C ILE A 121 -5.593 -5.060 -6.198 1.00 0.00 C ATOM 1848 O ILE A 121 -5.822 -4.817 -5.013 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.146 -5.277 -6.638 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.885 -4.490 -6.998 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.207 -6.579 -7.421 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.633 -5.017 -6.333 1.00 0.00 C ATOM 0 H ILE A 121 -4.014 -2.930 -5.495 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.592 -4.406 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.111 -5.518 -5.575 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.749 -4.512 -8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.025 -3.447 -6.716 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.313 -7.168 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.089 -7.144 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.263 -6.360 -8.487 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.221 -4.411 -6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.748 -4.969 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.468 -6.051 -6.635 1.00 0.00 H new ATOM 1864 N SER A 122 -6.349 -5.874 -6.929 1.00 0.00 N ATOM 1865 CA SER A 122 -7.518 -6.540 -6.368 1.00 0.00 C ATOM 1866 C SER A 122 -7.369 -8.057 -6.446 1.00 0.00 C ATOM 1867 O SER A 122 -8.089 -8.798 -5.778 1.00 0.00 O ATOM 1868 CB SER A 122 -8.784 -6.103 -7.107 1.00 0.00 C ATOM 1869 OG SER A 122 -9.348 -4.946 -6.512 1.00 0.00 O ATOM 0 H SER A 122 -6.172 -6.088 -7.911 1.00 0.00 H new ATOM 0 HA SER A 122 -7.600 -6.253 -5.320 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.548 -5.900 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.513 -6.913 -7.097 1.00 0.00 H new ATOM 0 HG SER A 122 -9.739 -5.182 -5.645 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.428 -8.510 -7.267 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.182 -9.938 -7.433 1.00 0.00 C ATOM 1877 C ASP A 123 -4.789 -10.310 -6.937 1.00 0.00 C ATOM 1878 O ASP A 123 -3.788 -9.750 -7.386 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.338 -10.337 -8.902 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.801 -11.771 -9.066 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -5.981 -12.687 -8.851 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -7.983 -11.976 -9.413 1.00 0.00 O ATOM 0 H ASP A 123 -5.823 -7.910 -7.828 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.917 -10.480 -6.838 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.054 -9.670 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.385 -10.205 -9.415 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.732 -11.259 -6.008 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.461 -11.704 -5.449 1.00 0.00 C ATOM 1889 C ARG A 124 -2.476 -12.065 -6.556 1.00 0.00 C ATOM 1890 O ARG A 124 -1.273 -11.835 -6.433 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.678 -12.910 -4.532 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.147 -12.537 -3.135 1.00 0.00 C ATOM 1893 CD ARG A 124 -3.694 -13.557 -2.103 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.550 -14.741 -2.092 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.175 -15.915 -1.599 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -2.964 -16.063 -1.078 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.011 -16.945 -1.625 1.00 0.00 N ATOM 0 H ARG A 124 -5.550 -11.734 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.042 -10.883 -4.867 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.413 -13.574 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.746 -13.470 -4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.759 -11.553 -2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.234 -12.464 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.667 -13.854 -2.314 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.697 -13.098 -1.114 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.488 -14.661 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.319 -15.274 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -2.678 -16.966 -0.700 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.943 -16.835 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -4.721 -17.847 -1.246 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.995 -12.633 -7.641 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.163 -13.026 -8.771 1.00 0.00 C ATOM 1913 C LYS A 125 -1.284 -11.866 -9.230 1.00 0.00 C ATOM 1914 O LYS A 125 -0.305 -12.064 -9.947 1.00 0.00 O ATOM 1915 CB LYS A 125 -3.037 -13.507 -9.931 1.00 0.00 C ATOM 1916 CG LYS A 125 -2.265 -14.250 -11.008 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.793 -15.609 -10.519 1.00 0.00 C ATOM 1918 CE LYS A 125 -0.340 -15.566 -10.071 1.00 0.00 C ATOM 1919 NZ LYS A 125 -0.038 -16.628 -9.070 1.00 0.00 N ATOM 0 H LYS A 125 -3.988 -12.831 -7.760 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.517 -13.842 -8.448 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.818 -14.159 -9.540 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.535 -12.648 -10.380 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.897 -14.378 -11.887 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.406 -13.655 -11.317 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.421 -15.937 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.908 -16.344 -11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.311 -15.687 -10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.121 -14.589 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.875 -16.427 -8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.787 -16.648 -8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 0.009 -17.551 -9.547 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.643 -10.657 -8.809 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.885 -9.465 -9.177 1.00 0.00 C ATOM 1935 C GLU A 126 -0.006 -9.001 -8.020 1.00 0.00 C ATOM 1936 O GLU A 126 0.952 -8.253 -8.214 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.835 -8.340 -9.596 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.343 -8.472 -11.021 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.654 -7.130 -11.656 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -2.050 -6.120 -11.236 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -3.501 -7.090 -12.571 1.00 0.00 O ATOM 0 H GLU A 126 -2.452 -10.477 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.241 -9.719 -10.019 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.687 -8.323 -8.916 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.322 -7.384 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.596 -8.990 -11.623 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.241 -9.089 -11.027 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.340 -9.449 -6.814 1.00 0.00 N ATOM 1949 CA LEU A 127 0.417 -9.079 -5.624 1.00 0.00 C ATOM 1950 C LEU A 127 1.836 -9.631 -5.689 1.00 0.00 C ATOM 1951 O LEU A 127 2.714 -9.208 -4.937 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.286 -9.593 -4.366 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.326 -8.643 -3.771 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.653 -7.416 -3.178 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.341 -8.236 -4.830 1.00 0.00 C ATOM 0 H LEU A 127 -1.130 -10.069 -6.635 1.00 0.00 H new ATOM 0 HA LEU A 127 0.471 -7.991 -5.582 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.773 -10.539 -4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.468 -9.803 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.851 -9.165 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.410 -6.752 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.035 -7.723 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.101 -6.891 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.074 -7.560 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.829 -7.733 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.847 -9.124 -5.209 1.00 0.00 H new ATOM 1967 N GLU A 128 2.055 -10.580 -6.593 1.00 0.00 N ATOM 1968 CA GLU A 128 3.369 -11.193 -6.756 1.00 0.00 C ATOM 1969 C GLU A 128 4.453 -10.126 -6.886 1.00 0.00 C ATOM 1970 O GLU A 128 4.588 -9.488 -7.929 1.00 0.00 O ATOM 1971 CB GLU A 128 3.383 -12.103 -7.986 1.00 0.00 C ATOM 1972 CG GLU A 128 2.161 -12.999 -8.094 1.00 0.00 C ATOM 1973 CD GLU A 128 2.458 -14.307 -8.800 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.125 -14.274 -9.857 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.025 -15.366 -8.298 1.00 0.00 O ATOM 0 H GLU A 128 1.340 -10.942 -7.224 1.00 0.00 H new ATOM 0 HA GLU A 128 3.576 -11.791 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.452 -11.487 -8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.278 -12.725 -7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.779 -13.208 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.374 -12.471 -8.632 1.00 0.00 H new ATOM 1982 N GLU A 129 5.223 -9.941 -5.818 1.00 0.00 N ATOM 1983 CA GLU A 129 6.294 -8.952 -5.813 1.00 0.00 C ATOM 1984 C GLU A 129 7.020 -8.928 -7.155 1.00 0.00 C ATOM 1985 O GLU A 129 7.471 -7.877 -7.610 1.00 0.00 O ATOM 1986 CB GLU A 129 7.288 -9.250 -4.688 1.00 0.00 C ATOM 1987 CG GLU A 129 8.401 -8.223 -4.571 1.00 0.00 C ATOM 1988 CD GLU A 129 9.527 -8.683 -3.665 1.00 0.00 C ATOM 1989 OE1 GLU A 129 10.237 -9.639 -4.041 1.00 0.00 O ATOM 1990 OE2 GLU A 129 9.698 -8.088 -2.581 1.00 0.00 O ATOM 0 H GLU A 129 5.125 -10.462 -4.947 1.00 0.00 H new ATOM 0 HA GLU A 129 5.848 -7.972 -5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.749 -9.298 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.728 -10.233 -4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.801 -8.012 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.990 -7.289 -4.188 1.00 0.00 H new ATOM 1997 N ASP A 130 7.129 -10.093 -7.782 1.00 0.00 N ATOM 1998 CA ASP A 130 7.799 -10.208 -9.072 1.00 0.00 C ATOM 1999 C ASP A 130 7.196 -9.240 -10.086 1.00 0.00 C ATOM 2000 O ASP A 130 7.918 -8.553 -10.809 1.00 0.00 O ATOM 2001 CB ASP A 130 7.701 -11.641 -9.596 1.00 0.00 C ATOM 2002 CG ASP A 130 8.772 -12.544 -9.016 1.00 0.00 C ATOM 2003 OD1 ASP A 130 8.871 -12.623 -7.774 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.510 -13.173 -9.803 1.00 0.00 O ATOM 0 H ASP A 130 6.762 -10.972 -7.418 1.00 0.00 H new ATOM 0 HA ASP A 130 8.849 -9.952 -8.932 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.718 -12.046 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 130 7.785 -11.634 -10.683 1.00 0.00 H new ATOM 2009 N PHE A 131 5.869 -9.191 -10.132 1.00 0.00 N ATOM 2010 CA PHE A 131 5.169 -8.308 -11.058 1.00 0.00 C ATOM 2011 C PHE A 131 5.349 -6.847 -10.658 1.00 0.00 C ATOM 2012 O PHE A 131 5.476 -5.970 -11.513 1.00 0.00 O ATOM 2013 CB PHE A 131 3.679 -8.658 -11.100 1.00 0.00 C ATOM 2014 CG PHE A 131 2.857 -7.682 -11.892 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.191 -7.379 -13.202 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.752 -7.068 -11.328 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.436 -6.481 -13.934 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.993 -6.169 -12.053 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.335 -5.876 -13.359 1.00 0.00 C ATOM 0 H PHE A 131 5.257 -9.752 -9.539 1.00 0.00 H new ATOM 0 HA PHE A 131 5.597 -8.449 -12.050 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.560 -9.653 -11.528 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.295 -8.701 -10.081 1.00 0.00 H new ATOM 0 HD1 PHE A 131 4.050 -7.849 -13.656 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.479 -7.295 -10.308 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.707 -6.253 -14.954 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.134 -5.696 -11.599 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.743 -5.176 -13.929 1.00 0.00 H new ATOM 2029 N ILE A 132 5.357 -6.594 -9.354 1.00 0.00 N ATOM 2030 CA ILE A 132 5.522 -5.240 -8.840 1.00 0.00 C ATOM 2031 C ILE A 132 6.836 -4.628 -9.314 1.00 0.00 C ATOM 2032 O ILE A 132 6.871 -3.488 -9.778 1.00 0.00 O ATOM 2033 CB ILE A 132 5.480 -5.212 -7.301 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.249 -5.962 -6.789 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.480 -3.776 -6.798 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.943 -5.407 -7.312 1.00 0.00 C ATOM 0 H ILE A 132 5.251 -7.309 -8.634 1.00 0.00 H new ATOM 0 HA ILE A 132 4.690 -4.652 -9.228 1.00 0.00 H new ATOM 0 HB ILE A 132 6.371 -5.711 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.328 -7.011 -7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.239 -5.927 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.450 -3.772 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.384 -3.271 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.605 -3.254 -7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.113 -5.987 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.841 -4.366 -7.005 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.932 -5.467 -8.400 1.00 0.00 H new ATOM 2048 N ARG A 133 7.915 -5.395 -9.194 1.00 0.00 N ATOM 2049 CA ARG A 133 9.234 -4.930 -9.609 1.00 0.00 C ATOM 2050 C ARG A 133 9.197 -4.402 -11.041 1.00 0.00 C ATOM 2051 O ARG A 133 9.489 -3.232 -11.290 1.00 0.00 O ATOM 2052 CB ARG A 133 10.256 -6.061 -9.498 1.00 0.00 C ATOM 2053 CG ARG A 133 11.000 -6.081 -8.171 1.00 0.00 C ATOM 2054 CD ARG A 133 10.238 -6.870 -7.118 1.00 0.00 C ATOM 2055 NE ARG A 133 11.135 -7.524 -6.169 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.924 -6.863 -5.328 1.00 0.00 C ATOM 2057 NH1 ARG A 133 11.925 -5.537 -5.320 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.712 -7.529 -4.494 1.00 0.00 N ATOM 0 H ARG A 133 7.902 -6.341 -8.813 1.00 0.00 H new ATOM 0 HA ARG A 133 9.530 -4.117 -8.946 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.746 -7.015 -9.634 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.978 -5.968 -10.309 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.987 -6.520 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.152 -5.060 -7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.566 -6.201 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.617 -7.621 -7.606 1.00 0.00 H new ATOM 0 HE ARG A 133 11.157 -8.544 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.320 -5.023 -5.960 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.531 -5.031 -4.674 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.713 -8.549 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.317 -7.021 -3.849 1.00 0.00 H new ATOM 2072 N SER A 134 8.836 -5.272 -11.978 1.00 0.00 N ATOM 2073 CA SER A 134 8.766 -4.896 -13.385 1.00 0.00 C ATOM 2074 C SER A 134 8.215 -3.483 -13.542 1.00 0.00 C ATOM 2075 O SER A 134 8.664 -2.721 -14.397 1.00 0.00 O ATOM 2076 CB SER A 134 7.890 -5.886 -14.156 1.00 0.00 C ATOM 2077 OG SER A 134 8.660 -6.966 -14.655 1.00 0.00 O ATOM 0 H SER A 134 8.587 -6.243 -11.788 1.00 0.00 H new ATOM 0 HA SER A 134 9.776 -4.921 -13.794 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.104 -6.266 -13.503 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.398 -5.374 -14.983 1.00 0.00 H new ATOM 0 HG SER A 134 8.077 -7.585 -15.142 1.00 0.00 H new ATOM 2083 N GLU A 135 7.237 -3.139 -12.709 1.00 0.00 N ATOM 2084 CA GLU A 135 6.623 -1.818 -12.756 1.00 0.00 C ATOM 2085 C GLU A 135 7.620 -0.740 -12.341 1.00 0.00 C ATOM 2086 O GLU A 135 7.902 0.187 -13.101 1.00 0.00 O ATOM 2087 CB GLU A 135 5.394 -1.769 -11.845 1.00 0.00 C ATOM 2088 CG GLU A 135 4.322 -2.780 -12.215 1.00 0.00 C ATOM 2089 CD GLU A 135 3.770 -2.560 -13.610 1.00 0.00 C ATOM 2090 OE1 GLU A 135 4.449 -2.947 -14.584 1.00 0.00 O ATOM 2091 OE2 GLU A 135 2.659 -2.003 -13.728 1.00 0.00 O ATOM 0 H GLU A 135 6.854 -3.757 -11.994 1.00 0.00 H new ATOM 0 HA GLU A 135 6.313 -1.626 -13.783 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.708 -1.945 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.965 -0.768 -11.881 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.737 -3.786 -12.147 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.508 -2.722 -11.493 1.00 0.00 H new