USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=18 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 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 93:sc= 0.698 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 -120:sc= -4.09 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -6! C(o=-6!,f=-12!) USER MOD Single : A 35 THR OG1 : rot 174:sc= 0.063 USER MOD Single : A 38 TYR OH : rot 102:sc= -1.3 USER MOD Single : A 42 THR OG1 : rot -29:sc= 0.368 USER MOD Single : A 48 GLN : amide:sc= -0.0126 K(o=-0.013,f=-3.3!) USER MOD Single : A 52 TYR OH : rot 15:sc= -0.504 USER MOD Single : A 53 GLN :FLIP amide:sc= -1.75! C(o=-2.5!,f=-1.7!) USER MOD Single : A 54 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.025) USER MOD Single : A 57 GLN : amide:sc= -0.685 X(o=-0.69,f=-0.59) USER MOD Single : A 58 GLN : amide:sc= -1.31 K(o=-1.3,f=-5.9!) USER MOD Single : A 59 CYS SG : rot 136:sc= -1.29 USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 87 THR OG1 : rot -85:sc= 0.827 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.187 K(o=-0.19,f=-11!) USER MOD Single : A 101 THR OG1 : rot 81:sc= 0.631 USER MOD Single : A 105 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.000231) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.26) USER MOD Single : A 114 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1.5!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -171:sc= -4.08! (180deg=-4.69!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.423 9.066 8.530 1.00 0.00 N ATOM 117 CA LYS A 11 -9.197 9.588 9.125 1.00 0.00 C ATOM 118 C LYS A 11 -8.090 8.539 9.098 1.00 0.00 C ATOM 119 O LYS A 11 -8.353 7.351 8.906 1.00 0.00 O ATOM 120 CB LYS A 11 -9.456 10.035 10.565 1.00 0.00 C ATOM 121 CG LYS A 11 -10.493 11.138 10.682 1.00 0.00 C ATOM 122 CD LYS A 11 -9.861 12.514 10.558 1.00 0.00 C ATOM 123 CE LYS A 11 -9.332 13.007 11.896 1.00 0.00 C ATOM 124 NZ LYS A 11 -8.977 14.453 11.854 1.00 0.00 N ATOM 0 HA LYS A 11 -8.874 10.447 8.537 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.784 9.176 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.520 10.380 11.003 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.248 11.012 9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.005 11.057 11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.046 12.478 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.597 13.220 10.174 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.084 12.840 12.667 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.454 12.425 12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.621 14.750 12.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.241 14.609 11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.821 15.011 11.612 1.00 0.00 H new ATOM 138 N ILE A 12 -6.854 8.984 9.293 1.00 0.00 N ATOM 139 CA ILE A 12 -5.709 8.083 9.294 1.00 0.00 C ATOM 140 C ILE A 12 -4.871 8.260 10.557 1.00 0.00 C ATOM 141 O ILE A 12 -4.793 9.354 11.113 1.00 0.00 O ATOM 142 CB ILE A 12 -4.814 8.308 8.062 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.572 7.418 8.135 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.416 9.773 7.957 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.819 7.321 6.828 1.00 0.00 C ATOM 0 H ILE A 12 -6.620 9.964 9.452 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.106 7.068 9.263 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.378 8.039 7.169 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.902 7.806 8.903 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.870 6.417 8.448 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.783 9.916 7.081 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.311 10.387 7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.868 10.066 8.852 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.951 6.674 6.955 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.473 6.905 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.490 8.314 6.523 1.00 0.00 H new ATOM 157 N ASP A 13 -4.245 7.175 11.001 1.00 0.00 N ATOM 158 CA ASP A 13 -3.410 7.211 12.196 1.00 0.00 C ATOM 159 C ASP A 13 -1.993 7.664 11.855 1.00 0.00 C ATOM 160 O ASP A 13 -1.014 7.062 12.296 1.00 0.00 O ATOM 161 CB ASP A 13 -3.372 5.833 12.858 1.00 0.00 C ATOM 162 CG ASP A 13 -4.435 5.675 13.927 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.543 6.224 13.748 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.161 5.001 14.941 1.00 0.00 O ATOM 0 H ASP A 13 -4.300 6.261 10.552 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.844 7.929 12.892 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.508 5.064 12.098 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.389 5.673 13.301 1.00 0.00 H new ATOM 169 N LYS A 14 -1.892 8.729 11.066 1.00 0.00 N ATOM 170 CA LYS A 14 -0.596 9.264 10.665 1.00 0.00 C ATOM 171 C LYS A 14 0.478 8.909 11.688 1.00 0.00 C ATOM 172 O LYS A 14 1.584 8.509 11.324 1.00 0.00 O ATOM 173 CB LYS A 14 -0.678 10.784 10.502 1.00 0.00 C ATOM 174 CG LYS A 14 -1.063 11.226 9.102 1.00 0.00 C ATOM 175 CD LYS A 14 -1.466 12.690 9.070 1.00 0.00 C ATOM 176 CE LYS A 14 -2.021 13.086 7.709 1.00 0.00 C ATOM 177 NZ LYS A 14 -1.930 14.555 7.480 1.00 0.00 N ATOM 0 H LYS A 14 -2.692 9.239 10.692 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.325 8.816 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.406 11.178 11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.287 11.221 10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.224 11.064 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.888 10.613 8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.215 12.879 9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.602 13.311 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.473 12.562 6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.062 12.771 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.318 14.785 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.474 15.055 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.934 14.852 7.525 1.00 0.00 H new ATOM 191 N GLU A 15 0.146 9.056 12.965 1.00 0.00 N ATOM 192 CA GLU A 15 1.084 8.750 14.039 1.00 0.00 C ATOM 193 C GLU A 15 1.554 7.300 13.953 1.00 0.00 C ATOM 194 O GLU A 15 2.746 7.031 13.803 1.00 0.00 O ATOM 195 CB GLU A 15 0.436 9.008 15.402 1.00 0.00 C ATOM 196 CG GLU A 15 -0.636 10.083 15.372 1.00 0.00 C ATOM 197 CD GLU A 15 -0.749 10.831 16.686 1.00 0.00 C ATOM 198 OE1 GLU A 15 -1.047 10.185 17.713 1.00 0.00 O ATOM 199 OE2 GLU A 15 -0.538 12.062 16.688 1.00 0.00 O ATOM 0 H GLU A 15 -0.766 9.385 13.282 1.00 0.00 H new ATOM 0 HA GLU A 15 1.950 9.402 13.928 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.002 8.080 15.768 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.209 9.298 16.114 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.413 10.791 14.573 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.597 9.626 15.134 1.00 0.00 H new ATOM 206 N ALA A 16 0.609 6.371 14.050 1.00 0.00 N ATOM 207 CA ALA A 16 0.926 4.950 13.982 1.00 0.00 C ATOM 208 C ALA A 16 1.397 4.558 12.586 1.00 0.00 C ATOM 209 O ALA A 16 2.239 3.674 12.429 1.00 0.00 O ATOM 210 CB ALA A 16 -0.283 4.120 14.386 1.00 0.00 C ATOM 0 H ALA A 16 -0.382 6.577 14.176 1.00 0.00 H new ATOM 0 HA ALA A 16 1.739 4.751 14.680 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.032 3.061 14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.572 4.371 15.406 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.112 4.332 13.711 1.00 0.00 H new ATOM 216 N CYS A 17 0.847 5.221 11.574 1.00 0.00 N ATOM 217 CA CYS A 17 1.210 4.942 10.189 1.00 0.00 C ATOM 218 C CYS A 17 2.683 5.252 9.940 1.00 0.00 C ATOM 219 O CYS A 17 3.435 4.399 9.469 1.00 0.00 O ATOM 220 CB CYS A 17 0.336 5.758 9.236 1.00 0.00 C ATOM 221 SG CYS A 17 -1.438 5.620 9.559 1.00 0.00 S ATOM 0 H CYS A 17 0.148 5.955 11.687 1.00 0.00 H new ATOM 0 HA CYS A 17 1.044 3.881 10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.626 6.807 9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.534 5.437 8.213 1.00 0.00 H new ATOM 0 HG CYS A 17 -2.034 5.139 8.509 1.00 0.00 H new ATOM 227 N ARG A 18 3.086 6.477 10.257 1.00 0.00 N ATOM 228 CA ARG A 18 4.468 6.901 10.065 1.00 0.00 C ATOM 229 C ARG A 18 5.437 5.861 10.617 1.00 0.00 C ATOM 230 O ARG A 18 6.513 5.645 10.062 1.00 0.00 O ATOM 231 CB ARG A 18 4.709 8.251 10.743 1.00 0.00 C ATOM 232 CG ARG A 18 6.168 8.676 10.750 1.00 0.00 C ATOM 233 CD ARG A 18 6.371 9.956 11.547 1.00 0.00 C ATOM 234 NE ARG A 18 6.038 9.781 12.958 1.00 0.00 N ATOM 235 CZ ARG A 18 6.238 10.714 13.881 1.00 0.00 C ATOM 236 NH1 ARG A 18 6.767 11.881 13.545 1.00 0.00 N ATOM 237 NH2 ARG A 18 5.909 10.479 15.145 1.00 0.00 N ATOM 0 H ARG A 18 2.475 7.194 10.648 1.00 0.00 H new ATOM 0 HA ARG A 18 4.645 7.004 8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.119 9.014 10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.349 8.202 11.771 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.778 7.880 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.510 8.826 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.408 10.279 11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.753 10.748 11.124 1.00 0.00 H new ATOM 0 HE ARG A 18 5.629 8.893 13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.022 12.065 12.575 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.919 12.596 14.257 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.502 9.581 15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.063 11.196 15.854 1.00 0.00 H new ATOM 251 N ALA A 19 5.047 5.221 11.715 1.00 0.00 N ATOM 252 CA ALA A 19 5.881 4.203 12.342 1.00 0.00 C ATOM 253 C ALA A 19 6.061 2.999 11.423 1.00 0.00 C ATOM 254 O ALA A 19 7.178 2.529 11.211 1.00 0.00 O ATOM 255 CB ALA A 19 5.277 3.770 13.670 1.00 0.00 C ATOM 0 H ALA A 19 4.159 5.390 12.188 1.00 0.00 H new ATOM 0 HA ALA A 19 6.864 4.637 12.527 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.910 3.010 14.127 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.206 4.631 14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.282 3.359 13.500 1.00 0.00 H new ATOM 261 N ALA A 20 4.953 2.503 10.882 1.00 0.00 N ATOM 262 CA ALA A 20 4.989 1.354 9.986 1.00 0.00 C ATOM 263 C ALA A 20 5.728 1.688 8.694 1.00 0.00 C ATOM 264 O ALA A 20 6.557 0.911 8.223 1.00 0.00 O ATOM 265 CB ALA A 20 3.577 0.878 9.680 1.00 0.00 C ATOM 0 H ALA A 20 4.020 2.879 11.049 1.00 0.00 H new ATOM 0 HA ALA A 20 5.530 0.551 10.487 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.620 0.019 9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.081 0.590 10.607 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.017 1.683 9.204 1.00 0.00 H new ATOM 271 N TYR A 21 5.421 2.849 8.126 1.00 0.00 N ATOM 272 CA TYR A 21 6.054 3.284 6.887 1.00 0.00 C ATOM 273 C TYR A 21 7.559 3.450 7.072 1.00 0.00 C ATOM 274 O TYR A 21 8.325 3.384 6.112 1.00 0.00 O ATOM 275 CB TYR A 21 5.440 4.602 6.412 1.00 0.00 C ATOM 276 CG TYR A 21 6.408 5.486 5.660 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.618 5.318 4.296 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.114 6.490 6.312 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.503 6.122 3.605 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.000 7.300 5.628 1.00 0.00 C ATOM 281 CZ TYR A 21 8.192 7.112 4.275 1.00 0.00 C ATOM 282 OH TYR A 21 9.073 7.916 3.591 1.00 0.00 O ATOM 0 H TYR A 21 4.738 3.505 8.504 1.00 0.00 H new ATOM 0 HA TYR A 21 5.882 2.516 6.132 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.586 4.385 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.059 5.147 7.275 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.080 4.545 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.968 6.640 7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.655 5.977 2.546 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.540 8.076 6.150 1.00 0.00 H new ATOM 0 HH TYR A 21 9.474 8.562 4.209 1.00 0.00 H new ATOM 292 N ASN A 22 7.975 3.665 8.316 1.00 0.00 N ATOM 293 CA ASN A 22 9.388 3.840 8.630 1.00 0.00 C ATOM 294 C ASN A 22 10.065 2.492 8.863 1.00 0.00 C ATOM 295 O ASN A 22 11.157 2.238 8.355 1.00 0.00 O ATOM 296 CB ASN A 22 9.552 4.726 9.867 1.00 0.00 C ATOM 297 CG ASN A 22 9.390 6.200 9.548 1.00 0.00 C ATOM 298 OD1 ASN A 22 9.939 6.697 8.566 1.00 0.00 O ATOM 299 ND2 ASN A 22 8.631 6.905 10.380 1.00 0.00 N ATOM 0 H ASN A 22 7.354 3.722 9.123 1.00 0.00 H new ATOM 0 HA ASN A 22 9.866 4.324 7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.817 4.437 10.618 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.537 4.558 10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.484 7.901 10.216 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.195 6.450 11.182 1.00 0.00 H new ATOM 306 N LEU A 23 9.408 1.633 9.634 1.00 0.00 N ATOM 307 CA LEU A 23 9.945 0.311 9.935 1.00 0.00 C ATOM 308 C LEU A 23 10.379 -0.404 8.659 1.00 0.00 C ATOM 309 O LEU A 23 11.140 -1.370 8.703 1.00 0.00 O ATOM 310 CB LEU A 23 8.902 -0.530 10.675 1.00 0.00 C ATOM 311 CG LEU A 23 9.084 -0.599 12.191 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.316 -1.417 12.546 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.184 0.801 12.779 1.00 0.00 C ATOM 0 H LEU A 23 8.503 1.828 10.062 1.00 0.00 H new ATOM 0 HA LEU A 23 10.819 0.438 10.574 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.913 -0.125 10.461 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.925 -1.544 10.275 1.00 0.00 H new ATOM 0 HG LEU A 23 8.211 -1.092 12.620 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.428 -1.454 13.630 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.205 -2.429 12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.199 -0.954 12.105 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.313 0.734 13.859 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.038 1.319 12.343 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.272 1.355 12.557 1.00 0.00 H new ATOM 325 N VAL A 24 9.887 0.078 7.522 1.00 0.00 N ATOM 326 CA VAL A 24 10.224 -0.512 6.232 1.00 0.00 C ATOM 327 C VAL A 24 11.166 0.390 5.443 1.00 0.00 C ATOM 328 O VAL A 24 11.982 -0.086 4.653 1.00 0.00 O ATOM 329 CB VAL A 24 8.961 -0.778 5.390 1.00 0.00 C ATOM 330 CG1 VAL A 24 9.326 -0.963 3.925 1.00 0.00 C ATOM 331 CG2 VAL A 24 8.214 -1.993 5.920 1.00 0.00 C ATOM 0 H VAL A 24 9.254 0.876 7.468 1.00 0.00 H new ATOM 0 HA VAL A 24 10.722 -1.460 6.438 1.00 0.00 H new ATOM 0 HB VAL A 24 8.303 0.087 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.422 -1.150 3.346 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.814 -0.061 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.004 -1.811 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.325 -2.166 5.314 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.862 -2.868 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.919 -1.816 6.954 1.00 0.00 H new ATOM 341 N ARG A 25 11.049 1.696 5.663 1.00 0.00 N ATOM 342 CA ARG A 25 11.890 2.665 4.972 1.00 0.00 C ATOM 343 C ARG A 25 13.301 2.674 5.554 1.00 0.00 C ATOM 344 O ARG A 25 14.273 2.940 4.847 1.00 0.00 O ATOM 345 CB ARG A 25 11.279 4.064 5.070 1.00 0.00 C ATOM 346 CG ARG A 25 11.924 4.938 6.134 1.00 0.00 C ATOM 347 CD ARG A 25 11.336 6.340 6.134 1.00 0.00 C ATOM 348 NE ARG A 25 12.049 7.232 7.045 1.00 0.00 N ATOM 349 CZ ARG A 25 13.142 7.908 6.708 1.00 0.00 C ATOM 350 NH1 ARG A 25 13.644 7.794 5.486 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.733 8.700 7.593 1.00 0.00 N ATOM 0 H ARG A 25 10.380 2.107 6.314 1.00 0.00 H new ATOM 0 HA ARG A 25 11.949 2.374 3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.368 4.559 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.214 3.972 5.284 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.783 4.483 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.999 4.993 5.959 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.372 6.748 5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.286 6.293 6.421 1.00 0.00 H new ATOM 0 HE ARG A 25 11.688 7.342 7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.191 7.187 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.483 8.314 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.348 8.790 8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.572 9.218 7.333 1.00 0.00 H new ATOM 365 N ASP A 26 13.404 2.380 6.846 1.00 0.00 N ATOM 366 CA ASP A 26 14.695 2.352 7.523 1.00 0.00 C ATOM 367 C ASP A 26 15.666 1.422 6.804 1.00 0.00 C ATOM 368 O ASP A 26 15.268 0.638 5.942 1.00 0.00 O ATOM 369 CB ASP A 26 14.524 1.906 8.976 1.00 0.00 C ATOM 370 CG ASP A 26 15.850 1.652 9.663 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.587 2.629 9.911 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.153 0.475 9.953 1.00 0.00 O ATOM 0 H ASP A 26 12.609 2.158 7.445 1.00 0.00 H new ATOM 0 HA ASP A 26 15.107 3.361 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.974 2.670 9.525 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.923 0.997 9.006 1.00 0.00 H new ATOM 417 N VAL A 31 11.912 -5.169 8.539 1.00 0.00 N ATOM 418 CA VAL A 31 10.623 -5.045 7.867 1.00 0.00 C ATOM 419 C VAL A 31 10.792 -4.515 6.448 1.00 0.00 C ATOM 420 O VAL A 31 11.491 -3.526 6.223 1.00 0.00 O ATOM 421 CB VAL A 31 9.674 -4.112 8.642 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.223 -4.439 8.320 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.931 -4.215 10.138 1.00 0.00 C ATOM 0 HA VAL A 31 10.188 -6.044 7.829 1.00 0.00 H new ATOM 0 HB VAL A 31 9.868 -3.085 8.332 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.567 -3.770 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.050 -4.311 7.251 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.012 -5.471 8.601 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.252 -3.549 10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.765 -5.241 10.466 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.961 -3.929 10.351 1.00 0.00 H new ATOM 433 N ILE A 32 10.147 -5.178 5.494 1.00 0.00 N ATOM 434 CA ILE A 32 10.225 -4.772 4.096 1.00 0.00 C ATOM 435 C ILE A 32 8.844 -4.432 3.545 1.00 0.00 C ATOM 436 O ILE A 32 8.721 -3.832 2.478 1.00 0.00 O ATOM 437 CB ILE A 32 10.857 -5.873 3.225 1.00 0.00 C ATOM 438 CG1 ILE A 32 9.824 -6.954 2.901 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.063 -6.477 3.928 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.338 -8.017 1.955 1.00 0.00 C ATOM 0 H ILE A 32 9.565 -5.998 5.663 1.00 0.00 H new ATOM 0 HA ILE A 32 10.857 -3.884 4.059 1.00 0.00 H new ATOM 0 HB ILE A 32 11.193 -5.427 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.504 -7.429 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.944 -6.484 2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.499 -7.254 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 32 12.805 -5.699 4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 32 11.751 -6.911 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.553 -8.750 1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.632 -7.554 1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.200 -8.514 2.400 1.00 0.00 H new ATOM 452 N TRP A 33 7.809 -4.821 4.281 1.00 0.00 N ATOM 453 CA TRP A 33 6.435 -4.556 3.866 1.00 0.00 C ATOM 454 C TRP A 33 5.560 -4.215 5.067 1.00 0.00 C ATOM 455 O TRP A 33 5.708 -4.798 6.141 1.00 0.00 O ATOM 456 CB TRP A 33 5.861 -5.768 3.129 1.00 0.00 C ATOM 457 CG TRP A 33 5.769 -6.995 3.984 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.630 -8.055 3.992 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.759 -7.289 4.955 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.216 -8.991 4.910 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.071 -8.544 5.514 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.622 -6.613 5.408 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.286 -9.135 6.501 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.844 -7.201 6.388 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.179 -8.452 6.926 1.00 0.00 C ATOM 0 H TRP A 33 7.894 -5.320 5.167 1.00 0.00 H new ATOM 0 HA TRP A 33 6.444 -3.700 3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 33 4.868 -5.520 2.755 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.484 -5.985 2.261 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.507 -8.145 3.369 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.685 -9.875 5.109 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.356 -5.649 5.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.542 -10.099 6.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 1.963 -6.688 6.745 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.551 -8.885 7.691 1.00 0.00 H new ATOM 476 N VAL A 34 4.648 -3.266 4.878 1.00 0.00 N ATOM 477 CA VAL A 34 3.748 -2.848 5.946 1.00 0.00 C ATOM 478 C VAL A 34 2.356 -2.541 5.403 1.00 0.00 C ATOM 479 O VAL A 34 2.191 -1.681 4.537 1.00 0.00 O ATOM 480 CB VAL A 34 4.287 -1.606 6.680 1.00 0.00 C ATOM 481 CG1 VAL A 34 5.447 -1.983 7.587 1.00 0.00 C ATOM 482 CG2 VAL A 34 4.706 -0.537 5.681 1.00 0.00 C ATOM 0 H VAL A 34 4.513 -2.773 3.995 1.00 0.00 H new ATOM 0 HA VAL A 34 3.685 -3.678 6.650 1.00 0.00 H new ATOM 0 HB VAL A 34 3.490 -1.198 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.814 -1.092 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.110 -2.711 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.250 -2.416 6.990 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.084 0.334 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.488 -0.932 5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.846 -0.246 5.077 1.00 0.00 H new ATOM 492 N THR A 35 1.356 -3.248 5.920 1.00 0.00 N ATOM 493 CA THR A 35 -0.021 -3.052 5.487 1.00 0.00 C ATOM 494 C THR A 35 -0.749 -2.069 6.397 1.00 0.00 C ATOM 495 O THR A 35 -0.413 -1.932 7.574 1.00 0.00 O ATOM 496 CB THR A 35 -0.797 -4.382 5.463 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.481 -5.155 6.625 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.464 -5.180 4.211 1.00 0.00 C ATOM 0 H THR A 35 1.475 -3.961 6.639 1.00 0.00 H new ATOM 0 HA THR A 35 0.021 -2.646 4.476 1.00 0.00 H new ATOM 0 HB THR A 35 -1.863 -4.155 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.050 -5.953 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.024 -6.115 4.216 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.733 -4.601 3.328 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.604 -5.397 4.191 1.00 0.00 H new ATOM 506 N PHE A 36 -1.749 -1.388 5.846 1.00 0.00 N ATOM 507 CA PHE A 36 -2.524 -0.416 6.611 1.00 0.00 C ATOM 508 C PHE A 36 -4.021 -0.631 6.401 1.00 0.00 C ATOM 509 O PHE A 36 -4.588 -0.188 5.403 1.00 0.00 O ATOM 510 CB PHE A 36 -2.139 1.007 6.204 1.00 0.00 C ATOM 511 CG PHE A 36 -0.674 1.299 6.358 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.207 1.058 5.316 1.00 0.00 C ATOM 513 CD2 PHE A 36 -0.178 1.816 7.544 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.556 1.326 5.455 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.169 2.087 7.689 1.00 0.00 C ATOM 516 CZ PHE A 36 2.038 1.842 6.643 1.00 0.00 C ATOM 0 H PHE A 36 -2.042 -1.491 4.874 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.299 -0.557 7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.426 1.170 5.165 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.708 1.715 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.164 0.656 4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.852 2.009 8.365 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.233 1.132 4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.542 2.490 8.619 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.091 2.053 6.754 1.00 0.00 H new ATOM 526 N ARG A 37 -4.652 -1.314 7.350 1.00 0.00 N ATOM 527 CA ARG A 37 -6.082 -1.589 7.271 1.00 0.00 C ATOM 528 C ARG A 37 -6.870 -0.629 8.157 1.00 0.00 C ATOM 529 O ARG A 37 -6.291 0.170 8.892 1.00 0.00 O ATOM 530 CB ARG A 37 -6.369 -3.034 7.683 1.00 0.00 C ATOM 531 CG ARG A 37 -5.908 -3.367 9.093 1.00 0.00 C ATOM 532 CD ARG A 37 -5.577 -4.845 9.235 1.00 0.00 C ATOM 533 NE ARG A 37 -6.746 -5.635 9.610 1.00 0.00 N ATOM 534 CZ ARG A 37 -6.893 -6.920 9.307 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.948 -7.557 8.630 1.00 0.00 N ATOM 536 NH2 ARG A 37 -7.987 -7.570 9.684 1.00 0.00 N ATOM 0 H ARG A 37 -4.196 -1.687 8.183 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.398 -1.444 6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.440 -3.219 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.878 -3.708 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.030 -2.771 9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.688 -3.097 9.805 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.174 -5.218 8.293 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.798 -4.971 9.987 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.491 -5.175 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.105 -7.060 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.063 -8.544 8.399 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.715 -7.083 10.206 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.100 -8.557 9.451 1.00 0.00 H new ATOM 550 N TYR A 38 -8.194 -0.715 8.081 1.00 0.00 N ATOM 551 CA TYR A 38 -9.061 0.147 8.875 1.00 0.00 C ATOM 552 C TYR A 38 -9.449 -0.528 10.186 1.00 0.00 C ATOM 553 O TYR A 38 -9.612 -1.746 10.246 1.00 0.00 O ATOM 554 CB TYR A 38 -10.320 0.506 8.082 1.00 0.00 C ATOM 555 CG TYR A 38 -10.030 1.153 6.746 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.897 2.531 6.633 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.889 0.385 5.596 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.634 3.126 5.415 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.624 0.971 4.374 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.497 2.342 4.289 1.00 0.00 C ATOM 561 OH TYR A 38 -9.233 2.931 3.072 1.00 0.00 O ATOM 0 H TYR A 38 -8.689 -1.372 7.478 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.511 1.059 9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.907 -0.398 7.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.934 1.181 8.678 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.001 3.148 7.513 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.988 -0.689 5.659 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.536 4.199 5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.517 0.360 3.490 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.283 2.823 2.856 1.00 0.00 H new ATOM 571 N ASP A 39 -9.594 0.274 11.235 1.00 0.00 N ATOM 572 CA ASP A 39 -9.964 -0.244 12.548 1.00 0.00 C ATOM 573 C ASP A 39 -11.278 0.368 13.023 1.00 0.00 C ATOM 574 O ASP A 39 -11.608 0.313 14.207 1.00 0.00 O ATOM 575 CB ASP A 39 -8.857 0.042 13.563 1.00 0.00 C ATOM 576 CG ASP A 39 -8.810 -0.988 14.675 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.267 -2.128 14.447 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.315 -0.655 15.772 1.00 0.00 O ATOM 0 H ASP A 39 -9.461 1.285 11.202 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.097 -1.322 12.462 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.895 0.063 13.051 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.010 1.031 13.994 1.00 0.00 H new ATOM 583 N GLY A 40 -12.025 0.953 12.091 1.00 0.00 N ATOM 584 CA GLY A 40 -13.293 1.568 12.434 1.00 0.00 C ATOM 585 C GLY A 40 -13.332 3.044 12.093 1.00 0.00 C ATOM 586 O GLY A 40 -13.324 3.895 12.982 1.00 0.00 O ATOM 0 H GLY A 40 -11.774 1.012 11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.097 1.055 11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.479 1.439 13.500 1.00 0.00 H new ATOM 590 N ALA A 41 -13.375 3.350 10.799 1.00 0.00 N ATOM 591 CA ALA A 41 -13.416 4.734 10.343 1.00 0.00 C ATOM 592 C ALA A 41 -12.088 5.437 10.602 1.00 0.00 C ATOM 593 O ALA A 41 -12.041 6.656 10.768 1.00 0.00 O ATOM 594 CB ALA A 41 -14.553 5.481 11.024 1.00 0.00 C ATOM 0 H ALA A 41 -13.382 2.658 10.049 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.591 4.731 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.571 6.513 10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.501 4.999 10.783 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.403 5.467 12.103 1.00 0.00 H new ATOM 600 N THR A 42 -11.009 4.662 10.636 1.00 0.00 N ATOM 601 CA THR A 42 -9.681 5.210 10.878 1.00 0.00 C ATOM 602 C THR A 42 -8.595 4.239 10.428 1.00 0.00 C ATOM 603 O THR A 42 -8.484 3.130 10.954 1.00 0.00 O ATOM 604 CB THR A 42 -9.472 5.541 12.367 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.596 6.273 12.868 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.200 6.353 12.568 1.00 0.00 C ATOM 0 H THR A 42 -11.029 3.651 10.499 1.00 0.00 H new ATOM 0 HA THR A 42 -9.608 6.129 10.296 1.00 0.00 H new ATOM 0 HB THR A 42 -9.376 4.604 12.915 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.000 6.790 12.140 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.074 6.575 13.628 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.343 5.781 12.212 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.271 7.286 12.008 1.00 0.00 H new ATOM 614 N ILE A 43 -7.796 4.661 9.453 1.00 0.00 N ATOM 615 CA ILE A 43 -6.719 3.828 8.935 1.00 0.00 C ATOM 616 C ILE A 43 -5.662 3.569 10.003 1.00 0.00 C ATOM 617 O ILE A 43 -5.307 4.463 10.771 1.00 0.00 O ATOM 618 CB ILE A 43 -6.046 4.477 7.711 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.099 4.888 6.680 1.00 0.00 C ATOM 620 CG2 ILE A 43 -5.037 3.521 7.092 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.610 5.932 5.700 1.00 0.00 C ATOM 0 H ILE A 43 -7.875 5.575 9.007 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.168 2.881 8.635 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.517 5.372 8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.419 4.005 6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.975 5.273 7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.570 3.994 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.272 3.273 7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.545 2.610 6.776 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.408 6.175 4.999 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.317 6.831 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.752 5.543 5.152 1.00 0.00 H new ATOM 633 N VAL A 44 -5.162 2.338 10.046 1.00 0.00 N ATOM 634 CA VAL A 44 -4.143 1.960 11.019 1.00 0.00 C ATOM 635 C VAL A 44 -3.334 0.763 10.530 1.00 0.00 C ATOM 636 O VAL A 44 -3.860 -0.166 9.919 1.00 0.00 O ATOM 637 CB VAL A 44 -4.771 1.617 12.384 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.674 2.747 12.854 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.538 0.307 12.304 1.00 0.00 C ATOM 0 H VAL A 44 -5.446 1.585 9.419 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.482 2.819 11.136 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.970 1.497 13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.109 2.488 13.819 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.090 3.662 12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.471 2.902 12.127 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.974 0.081 13.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.331 0.395 11.562 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.859 -0.495 12.016 1.00 0.00 H new ATOM 649 N PRO A 45 -2.022 0.786 10.804 1.00 0.00 N ATOM 650 CA PRO A 45 -1.109 -0.289 10.403 1.00 0.00 C ATOM 651 C PRO A 45 -1.603 -1.662 10.843 1.00 0.00 C ATOM 652 O PRO A 45 -1.851 -1.894 12.026 1.00 0.00 O ATOM 653 CB PRO A 45 0.196 0.065 11.121 1.00 0.00 C ATOM 654 CG PRO A 45 0.128 1.539 11.323 1.00 0.00 C ATOM 655 CD PRO A 45 -1.326 1.863 11.529 1.00 0.00 C ATOM 0 HA PRO A 45 -1.010 -0.356 9.320 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.280 -0.462 12.072 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.065 -0.213 10.524 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.721 1.842 12.186 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.527 2.070 10.459 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.590 1.871 12.587 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.579 2.845 11.130 1.00 0.00 H new ATOM 663 N GLY A 46 -1.744 -2.571 9.883 1.00 0.00 N ATOM 664 CA GLY A 46 -2.207 -3.911 10.191 1.00 0.00 C ATOM 665 C GLY A 46 -1.065 -4.886 10.401 1.00 0.00 C ATOM 666 O GLY A 46 -0.468 -4.930 11.477 1.00 0.00 O ATOM 0 H GLY A 46 -1.546 -2.403 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.825 -3.881 11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.841 -4.268 9.380 1.00 0.00 H new ATOM 670 N ASP A 47 -0.762 -5.669 9.372 1.00 0.00 N ATOM 671 CA ASP A 47 0.315 -6.649 9.448 1.00 0.00 C ATOM 672 C ASP A 47 1.668 -5.988 9.202 1.00 0.00 C ATOM 673 O ASP A 47 1.741 -4.875 8.682 1.00 0.00 O ATOM 674 CB ASP A 47 0.089 -7.768 8.431 1.00 0.00 C ATOM 675 CG ASP A 47 -1.303 -8.363 8.526 1.00 0.00 C ATOM 676 OD1 ASP A 47 -1.508 -9.260 9.371 1.00 0.00 O ATOM 677 OD2 ASP A 47 -2.187 -7.931 7.756 1.00 0.00 O ATOM 0 H ASP A 47 -1.247 -5.644 8.475 1.00 0.00 H new ATOM 0 HA ASP A 47 0.315 -7.075 10.451 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.247 -7.379 7.425 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.828 -8.553 8.588 1.00 0.00 H new ATOM 682 N GLN A 48 2.738 -6.681 9.581 1.00 0.00 N ATOM 683 CA GLN A 48 4.088 -6.160 9.404 1.00 0.00 C ATOM 684 C GLN A 48 5.116 -7.286 9.452 1.00 0.00 C ATOM 685 O GLN A 48 5.005 -8.207 10.259 1.00 0.00 O ATOM 686 CB GLN A 48 4.401 -5.119 10.479 1.00 0.00 C ATOM 687 CG GLN A 48 5.632 -4.281 10.174 1.00 0.00 C ATOM 688 CD GLN A 48 5.802 -3.123 11.138 1.00 0.00 C ATOM 689 OE1 GLN A 48 5.649 -1.961 10.762 1.00 0.00 O ATOM 690 NE2 GLN A 48 6.122 -3.435 12.389 1.00 0.00 N ATOM 0 H GLN A 48 2.695 -7.604 10.012 1.00 0.00 H new ATOM 0 HA GLN A 48 4.142 -5.685 8.424 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.542 -4.459 10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.544 -5.626 11.433 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.518 -4.915 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.562 -3.895 9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.239 -4.412 12.657 1.00 0.00 H new ATOM 0 HE22 GLN A 48 6.251 -2.697 13.082 1.00 0.00 H new ATOM 699 N GLY A 49 6.117 -7.204 8.581 1.00 0.00 N ATOM 700 CA GLY A 49 7.150 -8.222 8.541 1.00 0.00 C ATOM 701 C GLY A 49 8.087 -8.051 7.361 1.00 0.00 C ATOM 702 O GLY A 49 7.824 -7.254 6.462 1.00 0.00 O ATOM 0 H GLY A 49 6.231 -6.451 7.903 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.726 -8.188 9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.684 -9.206 8.492 1.00 0.00 H new ATOM 706 N ALA A 50 9.184 -8.803 7.365 1.00 0.00 N ATOM 707 CA ALA A 50 10.162 -8.731 6.287 1.00 0.00 C ATOM 708 C ALA A 50 9.969 -9.873 5.295 1.00 0.00 C ATOM 709 O ALA A 50 10.833 -10.131 4.456 1.00 0.00 O ATOM 710 CB ALA A 50 11.574 -8.754 6.853 1.00 0.00 C ATOM 0 H ALA A 50 9.417 -9.468 8.102 1.00 0.00 H new ATOM 0 HA ALA A 50 10.011 -7.792 5.755 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.294 -8.700 6.037 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.714 -7.901 7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.727 -9.678 7.411 1.00 0.00 H new ATOM 716 N ASP A 51 8.832 -10.552 5.394 1.00 0.00 N ATOM 717 CA ASP A 51 8.526 -11.665 4.504 1.00 0.00 C ATOM 718 C ASP A 51 7.362 -11.318 3.580 1.00 0.00 C ATOM 719 O ASP A 51 6.203 -11.330 3.995 1.00 0.00 O ATOM 720 CB ASP A 51 8.193 -12.918 5.316 1.00 0.00 C ATOM 721 CG ASP A 51 8.543 -14.196 4.579 1.00 0.00 C ATOM 722 OD1 ASP A 51 8.212 -14.297 3.379 1.00 0.00 O ATOM 723 OD2 ASP A 51 9.146 -15.095 5.201 1.00 0.00 O ATOM 0 H ASP A 51 8.107 -10.351 6.082 1.00 0.00 H new ATOM 0 HA ASP A 51 9.406 -11.861 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.733 -12.888 6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.130 -12.920 5.556 1.00 0.00 H new ATOM 728 N TYR A 52 7.679 -11.009 2.329 1.00 0.00 N ATOM 729 CA TYR A 52 6.662 -10.657 1.347 1.00 0.00 C ATOM 730 C TYR A 52 5.568 -11.718 1.290 1.00 0.00 C ATOM 731 O TYR A 52 4.414 -11.420 0.984 1.00 0.00 O ATOM 732 CB TYR A 52 7.293 -10.484 -0.036 1.00 0.00 C ATOM 733 CG TYR A 52 6.554 -9.507 -0.922 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.316 -9.830 -1.465 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.093 -8.260 -1.216 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.638 -8.941 -2.276 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.421 -7.365 -2.025 1.00 0.00 C ATOM 738 CZ TYR A 52 5.194 -7.710 -2.553 1.00 0.00 C ATOM 739 OH TYR A 52 4.521 -6.821 -3.358 1.00 0.00 O ATOM 0 H TYR A 52 8.634 -10.995 1.970 1.00 0.00 H new ATOM 0 HA TYR A 52 6.212 -9.713 1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.322 -10.146 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.332 -11.454 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 52 4.877 -10.793 -1.249 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.053 -7.986 -0.805 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.677 -9.209 -2.691 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.854 -6.400 -2.243 1.00 0.00 H new ATOM 0 HH TYR A 52 3.588 -7.106 -3.451 1.00 0.00 H new ATOM 749 N GLN A 53 5.941 -12.959 1.587 1.00 0.00 N ATOM 750 CA GLN A 53 4.992 -14.066 1.570 1.00 0.00 C ATOM 751 C GLN A 53 3.992 -13.944 2.715 1.00 0.00 C ATOM 752 O GLN A 53 2.877 -14.461 2.637 1.00 0.00 O ATOM 753 CB GLN A 53 5.733 -15.401 1.663 1.00 0.00 C ATOM 754 CG GLN A 53 6.502 -15.760 0.403 1.00 0.00 C ATOM 755 CD GLN A 53 7.002 -14.538 -0.343 1.00 0.00 C ATOM 756 OE1 GLN A 53 6.138 -13.949 -1.162 1.00 0.00 O flip ATOM 757 NE2 GLN A 53 8.152 -14.128 -0.186 1.00 0.00 N flip ATOM 0 H GLN A 53 6.893 -13.223 1.842 1.00 0.00 H new ATOM 0 HA GLN A 53 4.444 -14.028 0.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.426 -15.364 2.503 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.014 -16.192 1.877 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.350 -16.392 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.860 -16.346 -0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.783 -14.611 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.474 -13.305 -0.695 1.00 0.00 H new ATOM 766 N HIS A 54 4.399 -13.258 3.778 1.00 0.00 N ATOM 767 CA HIS A 54 3.538 -13.067 4.940 1.00 0.00 C ATOM 768 C HIS A 54 2.486 -11.996 4.668 1.00 0.00 C ATOM 769 O HIS A 54 1.383 -12.041 5.213 1.00 0.00 O ATOM 770 CB HIS A 54 4.372 -12.681 6.162 1.00 0.00 C ATOM 771 CG HIS A 54 4.845 -13.856 6.960 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.362 -13.743 8.233 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.878 -15.176 6.659 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.692 -14.941 8.681 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.409 -15.828 7.745 1.00 0.00 N ATOM 0 H HIS A 54 5.319 -12.825 3.859 1.00 0.00 H new ATOM 0 HA HIS A 54 3.028 -14.009 5.141 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.236 -12.104 5.834 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.779 -12.030 6.805 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.548 -15.631 5.737 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.120 -15.158 9.648 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.560 -16.834 7.817 1.00 0.00 H new ATOM 784 N PHE A 55 2.835 -11.033 3.821 1.00 0.00 N ATOM 785 CA PHE A 55 1.922 -9.949 3.478 1.00 0.00 C ATOM 786 C PHE A 55 0.836 -10.434 2.522 1.00 0.00 C ATOM 787 O PHE A 55 -0.342 -10.115 2.691 1.00 0.00 O ATOM 788 CB PHE A 55 2.691 -8.787 2.846 1.00 0.00 C ATOM 789 CG PHE A 55 1.934 -8.095 1.748 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.886 -7.238 2.045 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.271 -8.299 0.420 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.188 -6.600 1.038 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.577 -7.663 -0.593 1.00 0.00 C ATOM 794 CZ PHE A 55 0.534 -6.812 -0.283 1.00 0.00 C ATOM 0 H PHE A 55 3.743 -10.981 3.360 1.00 0.00 H new ATOM 0 HA PHE A 55 1.446 -9.605 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.937 -8.061 3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.634 -9.160 2.447 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.612 -7.067 3.076 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.086 -8.963 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.628 -5.936 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.850 -7.831 -1.624 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.010 -6.313 -1.072 1.00 0.00 H new ATOM 804 N ILE A 56 1.240 -11.207 1.520 1.00 0.00 N ATOM 805 CA ILE A 56 0.302 -11.738 0.538 1.00 0.00 C ATOM 806 C ILE A 56 -0.675 -12.714 1.184 1.00 0.00 C ATOM 807 O ILE A 56 -1.723 -13.023 0.618 1.00 0.00 O ATOM 808 CB ILE A 56 1.035 -12.448 -0.614 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.914 -11.455 -1.378 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.035 -13.108 -1.552 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.759 -12.099 -2.454 1.00 0.00 C ATOM 0 H ILE A 56 2.211 -11.480 1.366 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.250 -10.888 0.136 1.00 0.00 H new ATOM 0 HB ILE A 56 1.676 -13.223 -0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.279 -10.695 -1.833 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.568 -10.943 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.569 -13.606 -2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.552 -13.842 -1.000 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.629 -12.350 -1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.356 -11.336 -2.954 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.420 -12.839 -2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.111 -12.587 -3.182 1.00 0.00 H new ATOM 823 N GLN A 57 -0.324 -13.197 2.371 1.00 0.00 N ATOM 824 CA GLN A 57 -1.170 -14.139 3.094 1.00 0.00 C ATOM 825 C GLN A 57 -2.243 -13.406 3.892 1.00 0.00 C ATOM 826 O GLN A 57 -3.047 -14.027 4.585 1.00 0.00 O ATOM 827 CB GLN A 57 -0.324 -15.004 4.029 1.00 0.00 C ATOM 828 CG GLN A 57 0.327 -16.192 3.338 1.00 0.00 C ATOM 829 CD GLN A 57 -0.607 -16.884 2.366 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.450 -17.689 2.763 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.462 -16.576 1.082 1.00 0.00 N ATOM 0 H GLN A 57 0.541 -12.951 2.853 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.662 -14.781 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.453 -14.386 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.953 -15.367 4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.216 -15.855 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.659 -16.908 4.090 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.250 -15.903 0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.062 -17.012 0.382 1.00 0.00 H new ATOM 840 N GLN A 58 -2.247 -12.080 3.788 1.00 0.00 N ATOM 841 CA GLN A 58 -3.222 -11.262 4.502 1.00 0.00 C ATOM 842 C GLN A 58 -4.248 -10.674 3.539 1.00 0.00 C ATOM 843 O GLN A 58 -5.416 -10.503 3.891 1.00 0.00 O ATOM 844 CB GLN A 58 -2.515 -10.138 5.262 1.00 0.00 C ATOM 845 CG GLN A 58 -1.146 -10.530 5.793 1.00 0.00 C ATOM 846 CD GLN A 58 -1.217 -11.207 7.148 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.184 -11.035 7.891 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.191 -11.983 7.477 1.00 0.00 N ATOM 0 H GLN A 58 -1.588 -11.550 3.218 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.744 -11.901 5.214 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.407 -9.277 4.602 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.143 -9.824 6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.663 -11.200 5.082 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.521 -9.640 5.868 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.590 -12.097 6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.184 -12.465 8.376 1.00 0.00 H new ATOM 857 N CYS A 59 -3.804 -10.367 2.325 1.00 0.00 N ATOM 858 CA CYS A 59 -4.686 -9.796 1.311 1.00 0.00 C ATOM 859 C CYS A 59 -5.595 -10.867 0.717 1.00 0.00 C ATOM 860 O CYS A 59 -5.127 -11.811 0.081 1.00 0.00 O ATOM 861 CB CYS A 59 -3.863 -9.137 0.204 1.00 0.00 C ATOM 862 SG CYS A 59 -2.669 -7.915 0.799 1.00 0.00 S ATOM 0 H CYS A 59 -2.841 -10.503 2.019 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.309 -9.040 1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.330 -9.911 -0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.541 -8.654 -0.500 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.532 -8.089 0.194 1.00 0.00 H new ATOM 868 N THR A 60 -6.899 -10.713 0.931 1.00 0.00 N ATOM 869 CA THR A 60 -7.873 -11.668 0.419 1.00 0.00 C ATOM 870 C THR A 60 -9.059 -10.953 -0.219 1.00 0.00 C ATOM 871 O THR A 60 -9.147 -9.725 -0.185 1.00 0.00 O ATOM 872 CB THR A 60 -8.389 -12.597 1.534 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.049 -11.828 2.547 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.245 -13.385 2.154 1.00 0.00 C ATOM 0 H THR A 60 -7.303 -9.937 1.455 1.00 0.00 H new ATOM 0 HA THR A 60 -7.363 -12.267 -0.335 1.00 0.00 H new ATOM 0 HB THR A 60 -9.096 -13.299 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.376 -12.426 3.251 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.634 -14.034 2.939 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.763 -13.991 1.387 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.517 -12.695 2.581 1.00 0.00 H new ATOM 882 N ASP A 61 -9.969 -11.729 -0.799 1.00 0.00 N ATOM 883 CA ASP A 61 -11.151 -11.169 -1.444 1.00 0.00 C ATOM 884 C ASP A 61 -12.181 -10.732 -0.406 1.00 0.00 C ATOM 885 O ASP A 61 -13.294 -10.336 -0.750 1.00 0.00 O ATOM 886 CB ASP A 61 -11.771 -12.193 -2.397 1.00 0.00 C ATOM 887 CG ASP A 61 -10.728 -12.929 -3.214 1.00 0.00 C ATOM 888 OD1 ASP A 61 -9.697 -12.312 -3.554 1.00 0.00 O ATOM 889 OD2 ASP A 61 -10.943 -14.122 -3.512 1.00 0.00 O ATOM 0 H ASP A 61 -9.911 -12.747 -0.836 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.843 -10.293 -2.015 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.353 -12.914 -1.823 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.464 -11.687 -3.069 1.00 0.00 H new ATOM 894 N ASP A 62 -11.802 -10.809 0.864 1.00 0.00 N ATOM 895 CA ASP A 62 -12.691 -10.421 1.953 1.00 0.00 C ATOM 896 C ASP A 62 -12.074 -9.301 2.786 1.00 0.00 C ATOM 897 O ASP A 62 -12.468 -9.077 3.931 1.00 0.00 O ATOM 898 CB ASP A 62 -12.999 -11.626 2.842 1.00 0.00 C ATOM 899 CG ASP A 62 -13.828 -11.253 4.056 1.00 0.00 C ATOM 900 OD1 ASP A 62 -14.942 -10.720 3.873 1.00 0.00 O ATOM 901 OD2 ASP A 62 -13.361 -11.494 5.189 1.00 0.00 O ATOM 0 H ASP A 62 -10.884 -11.137 1.166 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.621 -10.054 1.518 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -13.532 -12.377 2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.064 -12.081 3.170 1.00 0.00 H new ATOM 906 N VAL A 63 -11.104 -8.603 2.206 1.00 0.00 N ATOM 907 CA VAL A 63 -10.433 -7.508 2.895 1.00 0.00 C ATOM 908 C VAL A 63 -9.712 -6.597 1.907 1.00 0.00 C ATOM 909 O VAL A 63 -9.310 -7.030 0.826 1.00 0.00 O ATOM 910 CB VAL A 63 -9.418 -8.032 3.927 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.358 -8.886 3.248 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.780 -6.876 4.682 1.00 0.00 C ATOM 0 H VAL A 63 -10.765 -8.776 1.260 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.205 -6.939 3.413 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.948 -8.657 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.650 -9.247 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.834 -9.735 2.758 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.830 -8.288 2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.065 -7.265 5.407 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.264 -6.223 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.553 -6.310 5.202 1.00 0.00 H new ATOM 922 N ARG A 64 -9.553 -5.332 2.285 1.00 0.00 N ATOM 923 CA ARG A 64 -8.880 -4.359 1.432 1.00 0.00 C ATOM 924 C ARG A 64 -8.090 -3.357 2.268 1.00 0.00 C ATOM 925 O ARG A 64 -8.594 -2.825 3.257 1.00 0.00 O ATOM 926 CB ARG A 64 -9.900 -3.622 0.562 1.00 0.00 C ATOM 927 CG ARG A 64 -10.938 -2.852 1.361 1.00 0.00 C ATOM 928 CD ARG A 64 -12.101 -3.742 1.768 1.00 0.00 C ATOM 929 NE ARG A 64 -12.958 -3.103 2.764 1.00 0.00 N ATOM 930 CZ ARG A 64 -13.301 -3.675 3.914 1.00 0.00 C ATOM 931 NH1 ARG A 64 -12.862 -4.890 4.211 1.00 0.00 N ATOM 932 NH2 ARG A 64 -14.083 -3.030 4.769 1.00 0.00 N ATOM 0 H ARG A 64 -9.881 -4.957 3.175 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.184 -4.897 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.372 -2.930 -0.094 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.408 -4.344 -0.078 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.473 -2.429 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.309 -2.016 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.693 -3.991 0.887 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.717 -4.680 2.169 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.312 -2.167 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -12.259 -5.389 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.127 -5.326 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.422 -2.094 4.544 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.346 -3.469 5.651 1.00 0.00 H new ATOM 946 N LEU A 65 -6.849 -3.107 1.865 1.00 0.00 N ATOM 947 CA LEU A 65 -5.988 -2.170 2.577 1.00 0.00 C ATOM 948 C LEU A 65 -4.736 -1.856 1.766 1.00 0.00 C ATOM 949 O LEU A 65 -4.492 -2.461 0.722 1.00 0.00 O ATOM 950 CB LEU A 65 -5.597 -2.740 3.943 1.00 0.00 C ATOM 951 CG LEU A 65 -5.059 -4.172 3.915 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.134 -5.138 3.447 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.834 -4.262 3.019 1.00 0.00 C ATOM 0 H LEU A 65 -6.417 -3.540 1.049 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.544 -1.244 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.841 -2.092 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.469 -2.708 4.597 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.767 -4.450 4.928 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.732 -6.151 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.984 -5.094 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.458 -4.863 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.464 -5.287 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.102 -3.964 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.056 -3.599 3.398 1.00 0.00 H new ATOM 965 N PHE A 66 -3.943 -0.908 2.254 1.00 0.00 N ATOM 966 CA PHE A 66 -2.715 -0.513 1.574 1.00 0.00 C ATOM 967 C PHE A 66 -1.534 -1.351 2.054 1.00 0.00 C ATOM 968 O PHE A 66 -1.597 -1.987 3.105 1.00 0.00 O ATOM 969 CB PHE A 66 -2.431 0.972 1.811 1.00 0.00 C ATOM 970 CG PHE A 66 -3.645 1.845 1.665 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.552 1.971 2.706 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.878 2.540 0.489 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.669 2.773 2.574 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.995 3.343 0.352 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.890 3.460 1.396 1.00 0.00 C ATOM 0 H PHE A 66 -4.129 -0.399 3.118 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.849 -0.684 0.506 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.020 1.100 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.667 1.305 1.108 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.384 1.437 3.629 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.179 2.453 -0.330 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.369 2.863 3.391 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.167 3.878 -0.570 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.762 4.088 1.292 1.00 0.00 H new ATOM 985 N ALA A 67 -0.457 -1.346 1.275 1.00 0.00 N ATOM 986 CA ALA A 67 0.740 -2.104 1.620 1.00 0.00 C ATOM 987 C ALA A 67 1.995 -1.419 1.092 1.00 0.00 C ATOM 988 O ALA A 67 2.263 -1.432 -0.110 1.00 0.00 O ATOM 989 CB ALA A 67 0.641 -3.522 1.077 1.00 0.00 C ATOM 0 H ALA A 67 -0.389 -0.825 0.401 1.00 0.00 H new ATOM 0 HA ALA A 67 0.812 -2.147 2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.541 -4.077 1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.230 -4.017 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.541 -3.490 -0.008 1.00 0.00 H new ATOM 995 N PHE A 68 2.761 -0.818 1.997 1.00 0.00 N ATOM 996 CA PHE A 68 3.988 -0.126 1.622 1.00 0.00 C ATOM 997 C PHE A 68 5.190 -1.062 1.709 1.00 0.00 C ATOM 998 O PHE A 68 5.646 -1.404 2.799 1.00 0.00 O ATOM 999 CB PHE A 68 4.208 1.090 2.523 1.00 0.00 C ATOM 1000 CG PHE A 68 5.562 1.721 2.359 1.00 0.00 C ATOM 1001 CD1 PHE A 68 5.837 2.526 1.265 1.00 0.00 C ATOM 1002 CD2 PHE A 68 6.558 1.510 3.298 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.082 3.106 1.111 1.00 0.00 C ATOM 1004 CE2 PHE A 68 7.805 2.089 3.151 1.00 0.00 C ATOM 1005 CZ PHE A 68 8.067 2.889 2.055 1.00 0.00 C ATOM 0 H PHE A 68 2.553 -0.797 2.995 1.00 0.00 H new ATOM 0 HA PHE A 68 3.885 0.209 0.590 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.441 1.834 2.309 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.080 0.790 3.563 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.070 2.702 0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.358 0.885 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 68 7.285 3.729 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.572 1.916 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 68 9.040 3.343 1.937 1.00 0.00 H new ATOM 1015 N VAL A 69 5.698 -1.472 0.551 1.00 0.00 N ATOM 1016 CA VAL A 69 6.846 -2.369 0.495 1.00 0.00 C ATOM 1017 C VAL A 69 8.055 -1.675 -0.124 1.00 0.00 C ATOM 1018 O VAL A 69 7.915 -0.846 -1.023 1.00 0.00 O ATOM 1019 CB VAL A 69 6.527 -3.640 -0.314 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.768 -4.508 -0.456 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.395 -4.417 0.338 1.00 0.00 C ATOM 0 H VAL A 69 5.333 -1.197 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 69 7.078 -2.651 1.522 1.00 0.00 H new ATOM 0 HB VAL A 69 6.204 -3.343 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.523 -5.401 -1.030 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.547 -3.947 -0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.124 -4.798 0.532 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.183 -5.312 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.686 -4.705 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.503 -3.792 0.381 1.00 0.00 H new ATOM 1031 N ARG A 70 9.242 -2.020 0.363 1.00 0.00 N ATOM 1032 CA ARG A 70 10.477 -1.431 -0.142 1.00 0.00 C ATOM 1033 C ARG A 70 11.091 -2.305 -1.231 1.00 0.00 C ATOM 1034 O ARG A 70 11.225 -3.518 -1.066 1.00 0.00 O ATOM 1035 CB ARG A 70 11.478 -1.238 0.999 1.00 0.00 C ATOM 1036 CG ARG A 70 12.925 -1.438 0.578 1.00 0.00 C ATOM 1037 CD ARG A 70 13.860 -1.425 1.776 1.00 0.00 C ATOM 1038 NE ARG A 70 13.470 -2.405 2.786 1.00 0.00 N ATOM 1039 CZ ARG A 70 14.192 -2.675 3.867 1.00 0.00 C ATOM 1040 NH1 ARG A 70 15.338 -2.041 4.078 1.00 0.00 N ATOM 1041 NH2 ARG A 70 13.770 -3.580 4.741 1.00 0.00 N ATOM 0 H ARG A 70 9.375 -2.705 1.107 1.00 0.00 H new ATOM 0 HA ARG A 70 10.237 -0.459 -0.574 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.362 -0.234 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.242 -1.937 1.801 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.023 -2.386 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.214 -0.652 -0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.877 -1.632 1.444 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.866 -0.430 2.220 1.00 0.00 H new ATOM 0 HE ARG A 70 12.594 -2.910 2.654 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.666 -1.344 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.891 -2.250 4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.889 -4.070 4.583 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.326 -3.786 5.571 1.00 0.00 H new ATOM 1239 N PHE A 83 10.153 1.952 -3.214 1.00 0.00 N ATOM 1240 CA PHE A 83 8.968 1.433 -2.542 1.00 0.00 C ATOM 1241 C PHE A 83 7.745 1.520 -3.451 1.00 0.00 C ATOM 1242 O PHE A 83 7.860 1.832 -4.636 1.00 0.00 O ATOM 1243 CB PHE A 83 8.709 2.207 -1.247 1.00 0.00 C ATOM 1244 CG PHE A 83 9.965 2.579 -0.511 1.00 0.00 C ATOM 1245 CD1 PHE A 83 10.687 3.706 -0.870 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.423 1.802 0.540 1.00 0.00 C ATOM 1247 CE1 PHE A 83 11.843 4.051 -0.195 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.578 2.142 1.219 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.289 3.267 0.851 1.00 0.00 C ATOM 0 HA PHE A 83 9.148 0.385 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.152 3.114 -1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.079 1.605 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.342 4.322 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.872 0.921 0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.396 4.932 -0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.924 1.528 2.037 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.192 3.533 1.380 1.00 0.00 H new ATOM 1259 N ALA A 84 6.575 1.241 -2.888 1.00 0.00 N ATOM 1260 CA ALA A 84 5.331 1.288 -3.645 1.00 0.00 C ATOM 1261 C ALA A 84 4.130 1.005 -2.750 1.00 0.00 C ATOM 1262 O ALA A 84 4.093 -0.004 -2.046 1.00 0.00 O ATOM 1263 CB ALA A 84 5.377 0.296 -4.799 1.00 0.00 C ATOM 0 H ALA A 84 6.462 0.980 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 84 5.220 2.294 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.441 0.342 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.206 0.546 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.517 -0.712 -4.407 1.00 0.00 H new ATOM 1269 N LEU A 85 3.150 1.902 -2.780 1.00 0.00 N ATOM 1270 CA LEU A 85 1.948 1.748 -1.969 1.00 0.00 C ATOM 1271 C LEU A 85 0.968 0.781 -2.626 1.00 0.00 C ATOM 1272 O LEU A 85 0.091 1.192 -3.388 1.00 0.00 O ATOM 1273 CB LEU A 85 1.276 3.106 -1.753 1.00 0.00 C ATOM 1274 CG LEU A 85 0.536 3.259 -0.424 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.266 2.514 0.682 1.00 0.00 C ATOM 1276 CD2 LEU A 85 0.382 4.730 -0.067 1.00 0.00 C ATOM 0 H LEU A 85 3.165 2.743 -3.357 1.00 0.00 H new ATOM 0 HA LEU A 85 2.242 1.338 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.036 3.885 -1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.571 3.278 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.458 2.825 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.725 2.634 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.325 1.455 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.273 2.918 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.147 4.821 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.367 5.188 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.185 5.237 -0.848 1.00 0.00 H new ATOM 1288 N ILE A 86 1.124 -0.503 -2.326 1.00 0.00 N ATOM 1289 CA ILE A 86 0.253 -1.529 -2.887 1.00 0.00 C ATOM 1290 C ILE A 86 -1.130 -1.489 -2.244 1.00 0.00 C ATOM 1291 O ILE A 86 -1.317 -1.950 -1.117 1.00 0.00 O ATOM 1292 CB ILE A 86 0.850 -2.937 -2.704 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.043 -3.135 -3.643 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.210 -3.999 -2.956 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.049 -4.144 -3.137 1.00 0.00 C ATOM 0 H ILE A 86 1.845 -0.858 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 86 0.163 -1.317 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 86 1.199 -3.036 -1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.678 -3.456 -4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.543 -2.177 -3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.227 -4.988 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.031 -3.868 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.586 -3.903 -3.974 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.866 -4.233 -3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.443 -3.815 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.564 -5.113 -3.018 1.00 0.00 H new ATOM 1307 N THR A 87 -2.097 -0.935 -2.969 1.00 0.00 N ATOM 1308 CA THR A 87 -3.463 -0.834 -2.470 1.00 0.00 C ATOM 1309 C THR A 87 -4.268 -2.082 -2.813 1.00 0.00 C ATOM 1310 O THR A 87 -4.749 -2.232 -3.937 1.00 0.00 O ATOM 1311 CB THR A 87 -4.181 0.401 -3.046 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.705 1.588 -2.405 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.687 0.287 -2.859 1.00 0.00 C ATOM 0 H THR A 87 -1.959 -0.550 -3.903 1.00 0.00 H new ATOM 0 HA THR A 87 -3.397 -0.735 -1.387 1.00 0.00 H new ATOM 0 HB THR A 87 -3.966 0.454 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.199 1.730 -1.570 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.173 1.170 -3.273 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.051 -0.602 -3.373 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.917 0.211 -1.796 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.409 -2.975 -1.841 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.157 -4.212 -2.041 1.00 0.00 C ATOM 1323 C TRP A 88 -6.654 -3.975 -1.877 1.00 0.00 C ATOM 1324 O TRP A 88 -7.078 -3.192 -1.026 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.686 -5.283 -1.056 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.546 -6.509 -1.056 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.295 -6.985 -0.017 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.745 -7.417 -2.145 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.947 -8.134 -0.395 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.627 -8.420 -1.696 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.265 -7.480 -3.456 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.036 -9.470 -2.513 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.672 -8.523 -4.265 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.551 -9.507 -3.792 1.00 0.00 C ATOM 0 H TRP A 88 -4.016 -2.867 -0.906 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.972 -4.559 -3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.662 -5.566 -1.300 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.669 -4.860 -0.052 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.364 -6.526 0.958 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.569 -8.685 0.197 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.588 -6.726 -3.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.713 -10.229 -2.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.307 -8.581 -5.280 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.851 -10.310 -4.449 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.450 -4.656 -2.694 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.900 -4.520 -2.637 1.00 0.00 C ATOM 1347 C ILE A 89 -9.591 -5.818 -3.042 1.00 0.00 C ATOM 1348 O ILE A 89 -9.721 -6.121 -4.227 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.395 -3.382 -3.550 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.676 -2.076 -3.209 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.901 -3.215 -3.417 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.937 -0.966 -4.203 1.00 0.00 C ATOM 0 H ILE A 89 -7.115 -5.308 -3.404 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.154 -4.283 -1.604 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.167 -3.640 -4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.989 -1.746 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.603 -2.263 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.236 -2.407 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.397 -4.142 -3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.151 -2.975 -2.383 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.396 -0.070 -3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.598 -1.276 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.005 -0.751 -4.236 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.033 -6.581 -2.047 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.706 -7.837 -2.319 1.00 0.00 C ATOM 1366 C GLY A 90 -11.548 -7.783 -3.578 1.00 0.00 C ATOM 1367 O GLY A 90 -12.322 -6.846 -3.775 1.00 0.00 O ATOM 0 H GLY A 90 -9.937 -6.352 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.964 -8.630 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.341 -8.096 -1.472 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.398 -8.790 -4.433 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.150 -8.850 -5.681 1.00 0.00 C ATOM 1373 C GLU A 91 -13.609 -9.212 -5.421 1.00 0.00 C ATOM 1374 O GLU A 91 -14.407 -9.329 -6.351 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.521 -9.870 -6.632 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.957 -9.704 -8.079 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.868 -10.996 -8.867 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -12.533 -11.977 -8.474 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -11.134 -11.026 -9.877 1.00 0.00 O ATOM 0 H GLU A 91 -10.763 -9.575 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.116 -7.864 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.436 -9.785 -6.576 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.779 -10.874 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.983 -9.337 -8.106 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.335 -8.947 -8.557 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.949 -9.391 -4.149 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.312 -9.740 -3.764 1.00 0.00 C ATOM 1388 C ASP A 92 -15.933 -8.641 -2.907 1.00 0.00 C ATOM 1389 O ASP A 92 -17.155 -8.551 -2.786 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.326 -11.066 -3.004 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.663 -11.774 -3.098 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -16.979 -12.303 -4.184 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -17.395 -11.798 -2.086 1.00 0.00 O ATOM 0 H ASP A 92 -13.300 -9.300 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.904 -9.845 -4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.546 -11.716 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.088 -10.883 -1.956 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.083 -7.809 -2.315 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.549 -6.716 -1.469 1.00 0.00 C ATOM 1400 C VAL A 93 -16.618 -5.891 -2.175 1.00 0.00 C ATOM 1401 O VAL A 93 -16.594 -5.739 -3.396 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.388 -5.790 -1.060 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.315 -6.573 -0.319 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.806 -5.096 -2.281 1.00 0.00 C ATOM 0 H VAL A 93 -14.069 -7.870 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.977 -7.168 -0.574 1.00 0.00 H new ATOM 0 HB VAL A 93 -14.776 -5.026 -0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.503 -5.902 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -13.744 -7.019 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -12.928 -7.361 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.987 -4.446 -1.974 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.433 -5.844 -2.981 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.580 -4.500 -2.765 1.00 0.00 H new ATOM 1414 N SER A 94 -17.556 -5.359 -1.399 1.00 0.00 N ATOM 1415 CA SER A 94 -18.638 -4.551 -1.950 1.00 0.00 C ATOM 1416 C SER A 94 -18.103 -3.238 -2.512 1.00 0.00 C ATOM 1417 O SER A 94 -17.183 -2.640 -1.955 1.00 0.00 O ATOM 1418 CB SER A 94 -19.691 -4.268 -0.877 1.00 0.00 C ATOM 1419 OG SER A 94 -20.960 -4.029 -1.458 1.00 0.00 O ATOM 0 H SER A 94 -17.589 -5.473 -0.386 1.00 0.00 H new ATOM 0 HA SER A 94 -19.100 -5.113 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.754 -5.114 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.389 -3.403 -0.286 1.00 0.00 H new ATOM 0 HG SER A 94 -21.615 -3.853 -0.751 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.687 -2.794 -3.622 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.256 -1.556 -4.242 1.00 0.00 C ATOM 1427 C GLY A 95 -17.804 -0.525 -3.226 1.00 0.00 C ATOM 1428 O GLY A 95 -16.658 -0.074 -3.257 1.00 0.00 O ATOM 0 H GLY A 95 -19.451 -3.270 -4.102 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.438 -1.764 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.075 -1.145 -4.833 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.705 -0.150 -2.326 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.393 0.836 -1.296 1.00 0.00 C ATOM 1434 C LEU A 96 -16.937 0.722 -0.857 1.00 0.00 C ATOM 1435 O LEU A 96 -16.125 1.605 -1.132 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.318 0.654 -0.090 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.666 1.941 0.657 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -20.954 1.768 1.447 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -18.526 2.348 1.577 1.00 0.00 C ATOM 0 H LEU A 96 -19.657 -0.513 -2.288 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.549 1.829 -1.719 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.243 0.186 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.848 -0.038 0.609 1.00 0.00 H new ATOM 0 HG LEU A 96 -19.817 2.734 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -21.186 2.694 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -21.769 1.524 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.832 0.962 2.170 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.791 3.266 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.344 1.556 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.624 2.514 0.988 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.614 -0.372 -0.174 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.256 -0.601 0.303 1.00 0.00 C ATOM 1453 C GLN A 97 -14.232 -0.200 -0.754 1.00 0.00 C ATOM 1454 O GLN A 97 -13.247 0.475 -0.453 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.067 -2.071 0.682 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.749 -2.456 1.985 1.00 0.00 C ATOM 1457 CD GLN A 97 -17.160 -2.969 1.776 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -17.937 -2.389 1.017 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.500 -4.062 2.449 1.00 0.00 N ATOM 0 H GLN A 97 -17.274 -1.113 0.061 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.099 0.018 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.456 -2.697 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.001 -2.282 0.763 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -15.159 -3.222 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.776 -1.590 2.646 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.824 -4.511 3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -18.437 -4.453 2.347 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.471 -0.622 -1.991 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.569 -0.308 -3.092 1.00 0.00 C ATOM 1470 C ARG A 98 -13.591 1.185 -3.405 1.00 0.00 C ATOM 1471 O ARG A 98 -12.579 1.761 -3.804 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.955 -1.106 -4.339 1.00 0.00 C ATOM 1473 CG ARG A 98 -13.041 -0.857 -5.528 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.479 0.366 -6.320 1.00 0.00 C ATOM 1475 NE ARG A 98 -13.092 0.276 -7.725 1.00 0.00 N ATOM 1476 CZ ARG A 98 -13.645 1.005 -8.688 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -14.605 1.872 -8.399 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -13.238 0.867 -9.943 1.00 0.00 N ATOM 0 H ARG A 98 -15.281 -1.182 -2.256 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.559 -0.584 -2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.943 -2.169 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.978 -0.855 -4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.018 -0.719 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.041 -1.732 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.561 0.476 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.038 1.260 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.357 -0.383 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.921 1.981 -7.435 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -15.028 2.431 -9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -12.500 0.201 -10.169 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.663 1.427 -10.682 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.751 1.806 -3.222 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.905 3.232 -3.482 1.00 0.00 C ATOM 1494 C ALA A 99 -14.348 4.064 -2.332 1.00 0.00 C ATOM 1495 O ALA A 99 -14.114 5.264 -2.476 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.369 3.570 -3.719 1.00 0.00 C ATOM 0 H ALA A 99 -15.599 1.343 -2.894 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.337 3.475 -4.380 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.469 4.638 -3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.737 3.010 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.951 3.304 -2.837 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.135 3.418 -1.190 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.604 4.098 -0.014 1.00 0.00 C ATOM 1504 C LYS A 100 -12.091 3.931 0.073 1.00 0.00 C ATOM 1505 O LYS A 100 -11.373 4.864 0.434 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.263 3.552 1.256 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.767 3.753 1.296 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.131 5.225 1.381 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.360 5.825 0.002 1.00 0.00 C ATOM 1510 NZ LYS A 100 -16.043 7.279 -0.030 1.00 0.00 N ATOM 0 H LYS A 100 -14.322 2.425 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.830 5.160 -0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.045 2.487 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -13.817 4.037 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.217 3.317 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.183 3.224 2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.031 5.344 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.334 5.769 1.887 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.742 5.303 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -17.399 5.673 -0.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -16.212 7.650 -0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.650 7.782 0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -15.045 7.422 0.226 1.00 0.00 H new ATOM 1524 N THR A 101 -11.611 2.737 -0.261 1.00 0.00 N ATOM 1525 CA THR A 101 -10.183 2.449 -0.221 1.00 0.00 C ATOM 1526 C THR A 101 -9.395 3.460 -1.046 1.00 0.00 C ATOM 1527 O THR A 101 -8.309 3.884 -0.654 1.00 0.00 O ATOM 1528 CB THR A 101 -9.881 1.031 -0.742 1.00 0.00 C ATOM 1529 OG1 THR A 101 -10.849 0.106 -0.234 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.486 0.589 -0.330 1.00 0.00 C ATOM 0 H THR A 101 -12.191 1.954 -0.562 1.00 0.00 H new ATOM 0 HA THR A 101 -9.876 2.518 0.823 1.00 0.00 H new ATOM 0 HB THR A 101 -9.933 1.049 -1.831 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.664 0.154 -0.776 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.296 -0.415 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.749 1.278 -0.742 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.412 0.586 0.757 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.949 3.843 -2.193 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.284 4.802 -3.055 1.00 0.00 C ATOM 1540 C GLY A 102 -9.365 6.217 -2.518 1.00 0.00 C ATOM 1541 O GLY A 102 -8.415 6.991 -2.639 1.00 0.00 O ATOM 0 H GLY A 102 -10.847 3.506 -2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.238 4.519 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.733 4.767 -4.047 1.00 0.00 H new ATOM 1545 N THR A 103 -10.504 6.559 -1.926 1.00 0.00 N ATOM 1546 CA THR A 103 -10.708 7.892 -1.372 1.00 0.00 C ATOM 1547 C THR A 103 -9.853 8.107 -0.127 1.00 0.00 C ATOM 1548 O THR A 103 -9.411 9.222 0.149 1.00 0.00 O ATOM 1549 CB THR A 103 -12.186 8.132 -1.013 1.00 0.00 C ATOM 1550 OG1 THR A 103 -13.008 7.943 -2.170 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.390 9.536 -0.465 1.00 0.00 C ATOM 0 H THR A 103 -11.300 5.931 -1.817 1.00 0.00 H new ATOM 0 HA THR A 103 -10.409 8.603 -2.142 1.00 0.00 H new ATOM 0 HB THR A 103 -12.470 7.414 -0.244 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.333 7.019 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.442 9.681 -0.219 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.786 9.668 0.433 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.089 10.267 -1.216 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.625 7.032 0.620 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.821 7.102 1.835 1.00 0.00 C ATOM 1561 C ASP A 104 -7.335 6.979 1.511 1.00 0.00 C ATOM 1562 O ASP A 104 -6.497 6.909 2.410 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.237 6.002 2.811 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.682 6.131 3.250 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.383 7.024 2.728 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.113 5.340 4.113 1.00 0.00 O ATOM 0 H ASP A 104 -9.985 6.102 0.406 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.993 8.073 2.300 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.089 5.029 2.342 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.590 6.035 3.688 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.016 6.952 0.222 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.631 6.836 -0.222 1.00 0.00 C ATOM 1573 C LYS A 105 -4.875 8.140 0.014 1.00 0.00 C ATOM 1574 O LYS A 105 -3.679 8.131 0.312 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.579 6.465 -1.706 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.189 6.566 -2.309 1.00 0.00 C ATOM 1577 CD LYS A 105 -4.245 6.944 -3.779 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.635 8.403 -3.965 1.00 0.00 C ATOM 1579 NZ LYS A 105 -3.489 9.319 -3.712 1.00 0.00 N ATOM 0 H LYS A 105 -7.698 7.009 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.153 6.048 0.360 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.947 5.447 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.254 7.118 -2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.608 7.309 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.673 5.613 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.273 6.764 -4.239 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.964 6.306 -4.293 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.004 8.554 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.453 8.649 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.844 10.227 -3.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.851 8.892 -3.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.970 9.479 -4.599 1.00 0.00 H new ATOM 1593 N THR A 106 -5.578 9.260 -0.119 1.00 0.00 N ATOM 1594 CA THR A 106 -4.972 10.571 0.079 1.00 0.00 C ATOM 1595 C THR A 106 -4.405 10.706 1.489 1.00 0.00 C ATOM 1596 O THR A 106 -3.545 11.549 1.743 1.00 0.00 O ATOM 1597 CB THR A 106 -5.989 11.702 -0.163 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.736 11.442 -1.356 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.285 13.046 -0.282 1.00 0.00 C ATOM 0 H THR A 106 -6.568 9.286 -0.363 1.00 0.00 H new ATOM 0 HA THR A 106 -4.163 10.659 -0.646 1.00 0.00 H new ATOM 0 HB THR A 106 -6.668 11.739 0.689 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.382 12.165 -1.502 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.023 13.830 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.741 13.255 0.639 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.586 13.018 -1.118 1.00 0.00 H new ATOM 1607 N LEU A 107 -4.891 9.870 2.400 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.432 9.897 3.784 1.00 0.00 C ATOM 1609 C LEU A 107 -3.141 9.099 3.944 1.00 0.00 C ATOM 1610 O LEU A 107 -2.172 9.578 4.534 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.511 9.335 4.712 1.00 0.00 C ATOM 1612 CG LEU A 107 -6.862 10.045 4.636 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -7.458 9.915 3.243 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.817 9.485 5.679 1.00 0.00 C ATOM 0 H LEU A 107 -5.602 9.166 2.205 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.233 10.934 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.658 8.281 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.148 9.385 5.739 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.706 11.103 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.420 10.427 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.782 10.364 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.600 8.861 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.774 10.002 5.611 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.966 8.420 5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.396 9.631 6.674 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.136 7.880 3.414 1.00 0.00 N ATOM 1627 CA VAL A 108 -1.965 7.015 3.497 1.00 0.00 C ATOM 1628 C VAL A 108 -0.779 7.625 2.758 1.00 0.00 C ATOM 1629 O VAL A 108 0.375 7.409 3.130 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.257 5.619 2.914 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.093 4.677 3.180 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.549 5.060 3.492 1.00 0.00 C ATOM 0 H VAL A 108 -3.930 7.469 2.923 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.718 6.915 4.554 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.379 5.712 1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.316 3.696 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.191 5.073 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.937 4.586 4.255 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.740 4.074 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.458 4.979 4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.376 5.726 3.246 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.070 8.388 1.711 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.028 9.032 0.919 1.00 0.00 C ATOM 1644 C LYS A 109 0.669 10.124 1.724 1.00 0.00 C ATOM 1645 O LYS A 109 1.865 10.362 1.557 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.624 9.626 -0.359 1.00 0.00 C ATOM 1647 CG LYS A 109 0.298 10.609 -1.060 1.00 0.00 C ATOM 1648 CD LYS A 109 0.079 12.029 -0.565 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.261 12.579 -1.025 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.145 13.321 -2.311 1.00 0.00 N ATOM 0 H LYS A 109 -2.020 8.576 1.390 1.00 0.00 H new ATOM 0 HA LYS A 109 0.710 8.276 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.868 8.816 -1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.559 10.129 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.335 10.320 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.126 10.567 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.126 12.047 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.881 12.670 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.969 11.759 -1.142 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -1.664 13.241 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.080 13.680 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -0.489 14.119 -2.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.785 12.683 -3.049 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.087 10.785 2.595 1.00 0.00 N ATOM 1665 CA GLU A 110 0.460 11.852 3.425 1.00 0.00 C ATOM 1666 C GLU A 110 1.755 11.406 4.099 1.00 0.00 C ATOM 1667 O GLU A 110 2.724 12.164 4.170 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.559 12.278 4.484 1.00 0.00 C ATOM 1669 CG GLU A 110 -1.964 12.462 3.937 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.032 13.511 2.844 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.134 13.524 1.976 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.984 14.320 2.857 1.00 0.00 O ATOM 0 H GLU A 110 -1.079 10.601 2.744 1.00 0.00 H new ATOM 0 HA GLU A 110 0.680 12.703 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.582 11.530 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.230 13.213 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.325 11.511 3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.632 12.746 4.750 1.00 0.00 H new ATOM 1679 N VAL A 111 1.764 10.173 4.594 1.00 0.00 N ATOM 1680 CA VAL A 111 2.939 9.626 5.263 1.00 0.00 C ATOM 1681 C VAL A 111 3.899 8.998 4.259 1.00 0.00 C ATOM 1682 O VAL A 111 5.117 9.038 4.439 1.00 0.00 O ATOM 1683 CB VAL A 111 2.547 8.569 6.311 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.788 7.922 6.909 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.683 9.191 7.398 1.00 0.00 C ATOM 0 H VAL A 111 0.971 9.533 4.545 1.00 0.00 H new ATOM 0 HA VAL A 111 3.434 10.458 5.765 1.00 0.00 H new ATOM 0 HB VAL A 111 1.965 7.792 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.490 7.178 7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.363 7.439 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.401 8.685 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.415 8.429 8.130 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.237 9.989 7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.776 9.600 6.952 1.00 0.00 H new ATOM 1695 N VAL A 112 3.345 8.420 3.198 1.00 0.00 N ATOM 1696 CA VAL A 112 4.153 7.785 2.164 1.00 0.00 C ATOM 1697 C VAL A 112 4.264 8.674 0.931 1.00 0.00 C ATOM 1698 O VAL A 112 3.404 8.641 0.051 1.00 0.00 O ATOM 1699 CB VAL A 112 3.564 6.423 1.750 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.304 5.866 0.544 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.613 5.445 2.914 1.00 0.00 C ATOM 0 H VAL A 112 2.339 8.378 3.032 1.00 0.00 H new ATOM 0 HA VAL A 112 5.145 7.630 2.587 1.00 0.00 H new ATOM 0 HB VAL A 112 2.520 6.568 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.874 4.904 0.266 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.212 6.560 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.357 5.735 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.193 4.488 2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.648 5.303 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 112 3.034 5.842 3.748 1.00 0.00 H new ATOM 1711 N GLN A 113 5.329 9.467 0.875 1.00 0.00 N ATOM 1712 CA GLN A 113 5.553 10.365 -0.252 1.00 0.00 C ATOM 1713 C GLN A 113 6.876 10.052 -0.943 1.00 0.00 C ATOM 1714 O GLN A 113 7.010 10.222 -2.154 1.00 0.00 O ATOM 1715 CB GLN A 113 5.541 11.820 0.220 1.00 0.00 C ATOM 1716 CG GLN A 113 4.360 12.161 1.113 1.00 0.00 C ATOM 1717 CD GLN A 113 4.013 13.637 1.085 1.00 0.00 C ATOM 1718 OE1 GLN A 113 4.881 14.487 0.886 1.00 0.00 O ATOM 1719 NE2 GLN A 113 2.738 13.949 1.284 1.00 0.00 N ATOM 0 H GLN A 113 6.050 9.506 1.596 1.00 0.00 H new ATOM 0 HA GLN A 113 4.746 10.216 -0.970 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.465 12.025 0.760 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.528 12.475 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 113 3.492 11.582 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 113 4.586 11.864 2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.052 13.212 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.445 14.926 1.276 1.00 0.00 H new ATOM 1728 N ASN A 114 7.852 9.596 -0.164 1.00 0.00 N ATOM 1729 CA ASN A 114 9.165 9.261 -0.701 1.00 0.00 C ATOM 1730 C ASN A 114 9.085 8.043 -1.616 1.00 0.00 C ATOM 1731 O ASN A 114 9.957 7.824 -2.455 1.00 0.00 O ATOM 1732 CB ASN A 114 10.152 8.995 0.437 1.00 0.00 C ATOM 1733 CG ASN A 114 11.596 9.163 0.003 1.00 0.00 C ATOM 1734 OD1 ASN A 114 11.876 9.439 -1.164 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.519 8.996 0.942 1.00 0.00 N ATOM 0 H ASN A 114 7.758 9.450 0.841 1.00 0.00 H new ATOM 0 HA ASN A 114 9.517 10.110 -1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.942 9.675 1.262 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.004 7.983 0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.507 9.096 0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.240 8.768 1.896 1.00 0.00 H new ATOM 1742 N PHE A 115 8.030 7.252 -1.446 1.00 0.00 N ATOM 1743 CA PHE A 115 7.834 6.055 -2.255 1.00 0.00 C ATOM 1744 C PHE A 115 7.759 6.407 -3.739 1.00 0.00 C ATOM 1745 O PHE A 115 8.026 7.542 -4.132 1.00 0.00 O ATOM 1746 CB PHE A 115 6.558 5.327 -1.827 1.00 0.00 C ATOM 1747 CG PHE A 115 5.333 5.775 -2.573 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.233 7.072 -3.052 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.282 4.900 -2.794 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.108 7.487 -3.738 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.155 5.310 -3.480 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.067 6.605 -3.952 1.00 0.00 C ATOM 0 H PHE A 115 7.298 7.419 -0.755 1.00 0.00 H new ATOM 0 HA PHE A 115 8.689 5.397 -2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.693 4.256 -1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.401 5.483 -0.760 1.00 0.00 H new ATOM 0 HD1 PHE A 115 6.044 7.766 -2.887 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.344 3.887 -2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.043 8.500 -4.107 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.343 4.618 -3.647 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.186 6.927 -4.487 1.00 0.00 H new ATOM 1762 N ALA A 116 7.393 5.425 -4.556 1.00 0.00 N ATOM 1763 CA ALA A 116 7.281 5.631 -5.995 1.00 0.00 C ATOM 1764 C ALA A 116 5.845 5.952 -6.393 1.00 0.00 C ATOM 1765 O ALA A 116 5.542 7.067 -6.818 1.00 0.00 O ATOM 1766 CB ALA A 116 7.777 4.402 -6.743 1.00 0.00 C ATOM 0 H ALA A 116 7.169 4.479 -4.246 1.00 0.00 H new ATOM 0 HA ALA A 116 7.904 6.484 -6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.688 4.569 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.821 4.219 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.178 3.537 -6.459 1.00 0.00 H new ATOM 1772 N LYS A 117 4.963 4.967 -6.254 1.00 0.00 N ATOM 1773 CA LYS A 117 3.558 5.144 -6.599 1.00 0.00 C ATOM 1774 C LYS A 117 2.694 4.082 -5.925 1.00 0.00 C ATOM 1775 O LYS A 117 3.201 3.064 -5.456 1.00 0.00 O ATOM 1776 CB LYS A 117 3.372 5.080 -8.116 1.00 0.00 C ATOM 1777 CG LYS A 117 1.993 4.604 -8.541 1.00 0.00 C ATOM 1778 CD LYS A 117 1.930 4.336 -10.035 1.00 0.00 C ATOM 1779 CE LYS A 117 0.564 3.814 -10.452 1.00 0.00 C ATOM 1780 NZ LYS A 117 -0.368 4.921 -10.804 1.00 0.00 N ATOM 0 H LYS A 117 5.197 4.038 -5.905 1.00 0.00 H new ATOM 0 HA LYS A 117 3.243 6.124 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.552 6.069 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.123 4.413 -8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.737 3.695 -7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.250 5.355 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.151 5.254 -10.580 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.696 3.611 -10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.675 3.147 -11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.137 3.224 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.288 4.525 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.494 5.544 -9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.027 5.469 -11.595 1.00 0.00 H new ATOM 1794 N GLU A 118 1.389 4.328 -5.881 1.00 0.00 N ATOM 1795 CA GLU A 118 0.456 3.392 -5.265 1.00 0.00 C ATOM 1796 C GLU A 118 -0.024 2.355 -6.277 1.00 0.00 C ATOM 1797 O GLU A 118 -0.563 2.701 -7.329 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.742 4.142 -4.680 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.684 4.701 -5.734 1.00 0.00 C ATOM 1800 CD GLU A 118 -2.774 3.721 -6.121 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.176 2.911 -5.260 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.223 3.763 -7.285 1.00 0.00 O ATOM 0 H GLU A 118 0.954 5.167 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 118 0.979 2.874 -4.461 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.298 3.469 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.379 4.960 -4.058 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.141 5.617 -5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.111 4.971 -6.621 1.00 0.00 H new ATOM 1809 N PHE A 119 0.178 1.083 -5.953 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.231 -0.005 -6.834 1.00 0.00 C ATOM 1811 C PHE A 119 -1.563 -0.598 -6.383 1.00 0.00 C ATOM 1812 O PHE A 119 -1.615 -1.395 -5.445 1.00 0.00 O ATOM 1813 CB PHE A 119 0.841 -1.095 -6.866 1.00 0.00 C ATOM 1814 CG PHE A 119 2.095 -0.683 -7.584 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.293 0.637 -7.955 1.00 0.00 C ATOM 1816 CD2 PHE A 119 3.073 -1.615 -7.887 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.445 1.018 -8.617 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.227 -1.240 -8.548 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.414 0.080 -8.913 1.00 0.00 C ATOM 0 H PHE A 119 0.623 0.779 -5.087 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.355 0.401 -7.838 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.093 -1.375 -5.843 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.431 -1.982 -7.348 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.540 1.376 -7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.932 -2.648 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.587 2.050 -8.903 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.982 -1.977 -8.779 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.316 0.377 -9.428 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.639 -0.203 -7.056 1.00 0.00 N ATOM 1830 CA VAL A 120 -3.970 -0.695 -6.725 1.00 0.00 C ATOM 1831 C VAL A 120 -4.227 -2.056 -7.363 1.00 0.00 C ATOM 1832 O VAL A 120 -4.528 -2.148 -8.554 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.062 0.288 -7.186 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -4.840 0.694 -8.634 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -6.443 -0.323 -7.000 1.00 0.00 C ATOM 0 H VAL A 120 -2.614 0.456 -7.834 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.011 -0.791 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.001 1.185 -6.570 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -5.622 1.389 -8.941 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -3.867 1.176 -8.732 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -4.871 -0.191 -9.269 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -7.202 0.386 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.519 -1.237 -7.589 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.599 -0.556 -5.947 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.107 -3.110 -6.564 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.328 -4.467 -7.049 1.00 0.00 C ATOM 1847 C ILE A 121 -5.611 -5.055 -6.472 1.00 0.00 C ATOM 1848 O ILE A 121 -5.974 -4.778 -5.329 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.148 -5.390 -6.696 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.827 -4.762 -7.148 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.336 -6.758 -7.337 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.619 -5.313 -6.424 1.00 0.00 C ATOM 0 H ILE A 121 -3.858 -3.051 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.417 -4.404 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.117 -5.517 -5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.704 -4.924 -8.219 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.874 -3.684 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.494 -7.400 -7.078 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.260 -7.207 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.389 -6.648 -8.420 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.282 -4.823 -6.794 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.720 -5.127 -5.355 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.547 -6.386 -6.600 1.00 0.00 H new ATOM 1864 N SER A 122 -6.292 -5.872 -7.269 1.00 0.00 N ATOM 1865 CA SER A 122 -7.535 -6.499 -6.838 1.00 0.00 C ATOM 1866 C SER A 122 -7.413 -8.020 -6.861 1.00 0.00 C ATOM 1867 O SER A 122 -8.216 -8.727 -6.251 1.00 0.00 O ATOM 1868 CB SER A 122 -8.693 -6.057 -7.735 1.00 0.00 C ATOM 1869 OG SER A 122 -8.857 -6.942 -8.829 1.00 0.00 O ATOM 0 H SER A 122 -6.004 -6.115 -8.217 1.00 0.00 H new ATOM 0 HA SER A 122 -7.736 -6.182 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.614 -6.019 -7.153 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.507 -5.048 -8.104 1.00 0.00 H new ATOM 0 HG SER A 122 -9.604 -6.639 -9.386 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.402 -8.516 -7.566 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.173 -9.952 -7.668 1.00 0.00 C ATOM 1877 C ASP A 123 -4.809 -10.326 -7.095 1.00 0.00 C ATOM 1878 O ASP A 123 -3.787 -9.757 -7.477 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.267 -10.403 -9.127 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.851 -11.795 -9.266 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.735 -12.151 -8.458 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -6.426 -12.528 -10.183 1.00 0.00 O ATOM 0 H ASP A 123 -5.728 -7.944 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.944 -10.460 -7.088 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.883 -9.697 -9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.274 -10.382 -9.575 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.804 -11.286 -6.176 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.567 -11.734 -5.548 1.00 0.00 C ATOM 1889 C ARG A 124 -2.526 -12.104 -6.600 1.00 0.00 C ATOM 1890 O ARG A 124 -1.332 -11.862 -6.421 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.837 -12.934 -4.639 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.266 -12.549 -3.232 1.00 0.00 C ATOM 1893 CD ARG A 124 -3.885 -13.618 -2.221 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.616 -14.864 -2.439 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.485 -15.938 -1.668 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.656 -15.918 -0.634 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.184 -17.034 -1.930 1.00 0.00 N ATOM 0 H ARG A 124 -5.642 -11.768 -5.850 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.176 -10.913 -4.948 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.613 -13.553 -5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.936 -13.545 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -3.801 -11.603 -2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.345 -12.393 -3.209 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.814 -13.811 -2.283 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.085 -13.252 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 124 -5.263 -14.912 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.117 -15.077 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.557 -16.744 -0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.823 -17.053 -2.724 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.082 -17.858 -1.337 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.986 -12.694 -7.699 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.096 -13.097 -8.781 1.00 0.00 C ATOM 1913 C LYS A 125 -1.241 -11.923 -9.249 1.00 0.00 C ATOM 1914 O LYS A 125 -0.252 -12.108 -9.957 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.906 -13.651 -9.955 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.141 -15.149 -9.880 1.00 0.00 C ATOM 1917 CD LYS A 125 -3.831 -15.540 -8.584 1.00 0.00 C ATOM 1918 CE LYS A 125 -5.343 -15.429 -8.701 1.00 0.00 C ATOM 1919 NZ LYS A 125 -5.835 -14.089 -8.278 1.00 0.00 N ATOM 0 H LYS A 125 -3.971 -12.903 -7.863 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.435 -13.877 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.869 -13.142 -9.993 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.387 -13.420 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.749 -15.466 -10.727 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.188 -15.672 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.560 -16.562 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.480 -14.898 -7.776 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.642 -15.617 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.812 -16.198 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -6.874 -14.101 -8.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.444 -13.855 -7.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.531 -13.374 -8.969 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.628 -10.717 -8.846 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.896 -9.514 -9.224 1.00 0.00 C ATOM 1935 C GLU A 126 -0.033 -9.017 -8.068 1.00 0.00 C ATOM 1936 O GLU A 126 0.889 -8.224 -8.262 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.866 -8.415 -9.660 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.437 -8.623 -11.052 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.829 -7.322 -11.723 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -2.260 -6.272 -11.362 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -3.707 -7.354 -12.612 1.00 0.00 O ATOM 0 H GLU A 126 -2.444 -10.547 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.244 -9.765 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.686 -8.362 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.352 -7.455 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.701 -9.138 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.310 -9.272 -10.989 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.339 -9.489 -6.864 1.00 0.00 N ATOM 1949 CA LEU A 127 0.407 -9.092 -5.675 1.00 0.00 C ATOM 1950 C LEU A 127 1.828 -9.646 -5.714 1.00 0.00 C ATOM 1951 O LEU A 127 2.691 -9.223 -4.946 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.308 -9.579 -4.413 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.380 -8.633 -3.870 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.742 -7.396 -3.259 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.353 -8.243 -4.974 1.00 0.00 C ATOM 0 H LEU A 127 -1.098 -10.147 -6.686 1.00 0.00 H new ATOM 0 HA LEU A 127 0.461 -8.003 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.770 -10.543 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.436 -9.746 -3.634 1.00 0.00 H new ATOM 0 HG LEU A 127 -1.935 -9.153 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.521 -6.735 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.085 -7.692 -2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.162 -6.873 -4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.110 -7.570 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.811 -7.742 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.836 -9.138 -5.366 1.00 0.00 H new ATOM 1967 N GLU A 128 2.062 -10.595 -6.616 1.00 0.00 N ATOM 1968 CA GLU A 128 3.378 -11.207 -6.754 1.00 0.00 C ATOM 1969 C GLU A 128 4.465 -10.142 -6.860 1.00 0.00 C ATOM 1970 O GLU A 128 4.613 -9.493 -7.896 1.00 0.00 O ATOM 1971 CB GLU A 128 3.415 -12.115 -7.985 1.00 0.00 C ATOM 1972 CG GLU A 128 2.218 -13.044 -8.094 1.00 0.00 C ATOM 1973 CD GLU A 128 2.552 -14.347 -8.795 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.583 -14.960 -8.449 1.00 0.00 O ATOM 1975 OE2 GLU A 128 1.781 -14.752 -9.689 1.00 0.00 O ATOM 0 H GLU A 128 1.359 -10.956 -7.261 1.00 0.00 H new ATOM 0 HA GLU A 128 3.568 -11.806 -5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.466 -11.496 -8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.326 -12.712 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.838 -13.260 -7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.419 -12.539 -8.636 1.00 0.00 H new ATOM 1982 N GLU A 129 5.222 -9.968 -5.782 1.00 0.00 N ATOM 1983 CA GLU A 129 6.295 -8.981 -5.753 1.00 0.00 C ATOM 1984 C GLU A 129 6.992 -8.896 -7.109 1.00 0.00 C ATOM 1985 O GLU A 129 7.424 -7.822 -7.530 1.00 0.00 O ATOM 1986 CB GLU A 129 7.313 -9.331 -4.665 1.00 0.00 C ATOM 1987 CG GLU A 129 8.424 -10.251 -5.145 1.00 0.00 C ATOM 1988 CD GLU A 129 9.334 -10.702 -4.019 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.666 -9.864 -3.154 1.00 0.00 O ATOM 1990 OE2 GLU A 129 9.713 -11.892 -4.002 1.00 0.00 O ATOM 0 H GLU A 129 5.112 -10.497 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 129 5.854 -8.010 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.754 -8.411 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.794 -9.806 -3.832 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.985 -11.126 -5.625 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.016 -9.736 -5.902 1.00 0.00 H new ATOM 1997 N ASP A 130 7.099 -10.034 -7.785 1.00 0.00 N ATOM 1998 CA ASP A 130 7.742 -10.089 -9.093 1.00 0.00 C ATOM 1999 C ASP A 130 7.109 -9.086 -10.053 1.00 0.00 C ATOM 2000 O ASP A 130 7.809 -8.322 -10.719 1.00 0.00 O ATOM 2001 CB ASP A 130 7.644 -11.500 -9.673 1.00 0.00 C ATOM 2002 CG ASP A 130 8.221 -12.550 -8.743 1.00 0.00 C ATOM 2003 OD1 ASP A 130 7.469 -13.059 -7.886 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.423 -12.862 -8.872 1.00 0.00 O ATOM 0 H ASP A 130 6.749 -10.931 -7.449 1.00 0.00 H new ATOM 0 HA ASP A 130 8.793 -9.829 -8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.599 -11.734 -9.877 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.170 -11.535 -10.627 1.00 0.00 H new ATOM 2009 N PHE A 131 5.782 -9.094 -10.118 1.00 0.00 N ATOM 2010 CA PHE A 131 5.055 -8.186 -10.998 1.00 0.00 C ATOM 2011 C PHE A 131 5.214 -6.739 -10.539 1.00 0.00 C ATOM 2012 O PHE A 131 5.271 -5.820 -11.356 1.00 0.00 O ATOM 2013 CB PHE A 131 3.572 -8.559 -11.038 1.00 0.00 C ATOM 2014 CG PHE A 131 2.726 -7.576 -11.795 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.041 -7.232 -13.100 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.615 -6.998 -11.204 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.266 -6.326 -13.799 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.835 -6.092 -11.898 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.160 -5.756 -13.197 1.00 0.00 C ATOM 0 H PHE A 131 5.188 -9.719 -9.572 1.00 0.00 H new ATOM 0 HA PHE A 131 5.474 -8.279 -12.000 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.466 -9.544 -11.493 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.198 -8.638 -10.017 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.902 -7.677 -13.576 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.355 -7.258 -10.189 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.524 -6.064 -14.814 1.00 0.00 H new ATOM 0 HE2 PHE A 131 -0.028 -5.647 -11.424 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.551 -5.049 -13.742 1.00 0.00 H new ATOM 2029 N ILE A 132 5.284 -6.546 -9.226 1.00 0.00 N ATOM 2030 CA ILE A 132 5.437 -5.212 -8.658 1.00 0.00 C ATOM 2031 C ILE A 132 6.750 -4.575 -9.098 1.00 0.00 C ATOM 2032 O ILE A 132 6.763 -3.469 -9.641 1.00 0.00 O ATOM 2033 CB ILE A 132 5.387 -5.247 -7.119 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.140 -5.997 -6.644 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.408 -3.834 -6.556 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.844 -5.309 -7.014 1.00 0.00 C ATOM 0 H ILE A 132 5.237 -7.296 -8.536 1.00 0.00 H new ATOM 0 HA ILE A 132 4.604 -4.614 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 132 6.267 -5.776 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.144 -7.000 -7.071 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.185 -6.111 -5.561 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.372 -3.876 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.322 -3.331 -6.870 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.544 -3.282 -6.927 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.003 -5.896 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.818 -4.316 -6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.777 -5.219 -8.098 1.00 0.00 H new ATOM 2048 N ARG A 133 7.852 -5.279 -8.863 1.00 0.00 N ATOM 2049 CA ARG A 133 9.171 -4.781 -9.236 1.00 0.00 C ATOM 2050 C ARG A 133 9.184 -4.309 -10.687 1.00 0.00 C ATOM 2051 O ARG A 133 9.526 -3.162 -10.974 1.00 0.00 O ATOM 2052 CB ARG A 133 10.226 -5.870 -9.033 1.00 0.00 C ATOM 2053 CG ARG A 133 10.799 -5.909 -7.626 1.00 0.00 C ATOM 2054 CD ARG A 133 9.958 -6.780 -6.706 1.00 0.00 C ATOM 2055 NE ARG A 133 10.714 -7.241 -5.545 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.721 -8.104 -5.619 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.090 -8.598 -6.793 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.361 -8.475 -4.517 1.00 0.00 N ATOM 0 H ARG A 133 7.858 -6.196 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 133 9.406 -3.932 -8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.784 -6.839 -9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.038 -5.714 -9.743 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.819 -6.291 -7.658 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.850 -4.897 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.087 -6.217 -6.371 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.587 -7.641 -7.262 1.00 0.00 H new ATOM 0 HE ARG A 133 10.455 -6.881 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.600 -8.315 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.864 -9.261 -6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.080 -8.097 -3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.134 -9.138 -4.575 1.00 0.00 H new ATOM 2072 N SER A 134 8.809 -5.202 -11.597 1.00 0.00 N ATOM 2073 CA SER A 134 8.781 -4.879 -13.019 1.00 0.00 C ATOM 2074 C SER A 134 8.183 -3.495 -13.249 1.00 0.00 C ATOM 2075 O SER A 134 8.634 -2.750 -14.119 1.00 0.00 O ATOM 2076 CB SER A 134 7.976 -5.929 -13.787 1.00 0.00 C ATOM 2077 OG SER A 134 8.781 -7.049 -14.115 1.00 0.00 O ATOM 0 H SER A 134 8.520 -6.155 -11.375 1.00 0.00 H new ATOM 0 HA SER A 134 9.807 -4.879 -13.387 1.00 0.00 H new ATOM 0 HB2 SER A 134 7.126 -6.252 -13.186 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.573 -5.488 -14.698 1.00 0.00 H new ATOM 0 HG SER A 134 8.243 -7.706 -14.604 1.00 0.00 H new ATOM 2083 N GLU A 135 7.165 -3.158 -12.464 1.00 0.00 N ATOM 2084 CA GLU A 135 6.504 -1.864 -12.583 1.00 0.00 C ATOM 2085 C GLU A 135 7.436 -0.736 -12.151 1.00 0.00 C ATOM 2086 O GLU A 135 7.700 0.193 -12.915 1.00 0.00 O ATOM 2087 CB GLU A 135 5.229 -1.838 -11.738 1.00 0.00 C ATOM 2088 CG GLU A 135 4.236 -2.929 -12.101 1.00 0.00 C ATOM 2089 CD GLU A 135 3.496 -2.639 -13.392 1.00 0.00 C ATOM 2090 OE1 GLU A 135 4.158 -2.279 -14.388 1.00 0.00 O ATOM 2091 OE2 GLU A 135 2.253 -2.769 -13.407 1.00 0.00 O ATOM 0 H GLU A 135 6.780 -3.763 -11.739 1.00 0.00 H new ATOM 0 HA GLU A 135 6.240 -1.714 -13.630 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.498 -1.938 -10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.747 -0.867 -11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.763 -3.878 -12.194 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.515 -3.043 -11.291 1.00 0.00 H new