USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 784 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 28 TYR OH : rot -156:sc= -0.612 USER MOD Set 1.2: A 48 THR OG1 : rot -128:sc= -0.0539 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0176) USER MOD Single : A 16 TYR OH : rot 88:sc= -2.86! USER MOD Single : A 18 ASN : amide:sc= 0.584 K(o=0.58,f=-4.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -0.185 (180deg=-0.908) USER MOD Single : A 31 SER OG : rot -150:sc= -1.43 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 74:sc= 0.823 USER MOD Single : A 50 SER OG : rot 1:sc= 0.0272 USER MOD Single : A 52 ASN : amide:sc=-0.00781 X(o=-0.0078,f=-0.1) USER MOD Single : A 54 ASN : amide:sc= -1.64 K(o=-1.6,f=-2.9!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.542 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.454) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.313 K(o=-0.31,f=-2!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -136:sc= -2.32 USER MOD Single : A 87 SER OG : rot -130:sc= -0.226 USER MOD Single : A 92 LYS NZ :NH3+ -156:sc= -0.206 (180deg=-0.861) USER MOD Single : A 93 LYS NZ :NH3+ -149:sc= -0.324 (180deg=-1.47!) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.295 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= -0.0179 (180deg=-0.204) USER MOD Single : A 99 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.61) USER MOD Single : A 101 ASN : amide:sc= -0.907 K(o=-0.91,f=-1.9!) USER MOD Single : A 103 ASN : amide:sc= -1.01 X(o=-1,f=-0.57) USER MOD Single : A 105 SER OG : rot 155:sc= -1.1 USER MOD ----------------------------------------------------------------- ATOM 112 N ALA A 10 -8.689 4.270 11.688 1.00 0.00 N ATOM 113 CA ALA A 10 -7.452 4.179 10.921 1.00 0.00 C ATOM 114 C ALA A 10 -7.688 3.505 9.574 1.00 0.00 C ATOM 115 O ALA A 10 -8.254 2.414 9.505 1.00 0.00 O ATOM 116 CB ALA A 10 -6.396 3.422 11.713 1.00 0.00 C ATOM 0 HA ALA A 10 -7.095 5.192 10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.478 3.361 11.129 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.198 3.946 12.648 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.755 2.416 11.930 1.00 0.00 H new ATOM 122 N LYS A 11 -7.249 4.161 8.505 1.00 0.00 N ATOM 123 CA LYS A 11 -7.410 3.624 7.159 1.00 0.00 C ATOM 124 C LYS A 11 -6.309 2.619 6.839 1.00 0.00 C ATOM 125 O LYS A 11 -5.157 2.993 6.627 1.00 0.00 O ATOM 126 CB LYS A 11 -7.397 4.758 6.131 1.00 0.00 C ATOM 127 CG LYS A 11 -8.777 5.318 5.826 1.00 0.00 C ATOM 128 CD LYS A 11 -8.948 6.720 6.387 1.00 0.00 C ATOM 129 CE LYS A 11 -8.411 7.772 5.430 1.00 0.00 C ATOM 130 NZ LYS A 11 -8.830 9.146 5.822 1.00 0.00 N ATOM 0 H LYS A 11 -6.779 5.065 8.545 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.370 3.110 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.760 5.563 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.949 4.394 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.933 5.336 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.538 4.661 6.248 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.004 6.909 6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.429 6.797 7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.323 7.718 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.764 7.559 4.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.443 9.834 5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.868 9.206 5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.471 9.360 6.775 1.00 0.00 H new ATOM 144 N LYS A 12 -6.673 1.342 6.807 1.00 0.00 N ATOM 145 CA LYS A 12 -5.716 0.282 6.512 1.00 0.00 C ATOM 146 C LYS A 12 -5.519 0.129 5.007 1.00 0.00 C ATOM 147 O LYS A 12 -6.389 -0.387 4.306 1.00 0.00 O ATOM 148 CB LYS A 12 -6.189 -1.043 7.116 1.00 0.00 C ATOM 149 CG LYS A 12 -5.576 -1.347 8.472 1.00 0.00 C ATOM 150 CD LYS A 12 -5.564 -2.840 8.756 1.00 0.00 C ATOM 151 CE LYS A 12 -4.871 -3.151 10.072 1.00 0.00 C ATOM 152 NZ LYS A 12 -5.663 -2.680 11.243 1.00 0.00 N ATOM 0 H LYS A 12 -7.623 1.016 6.982 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.760 0.555 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.274 -1.021 7.214 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.948 -1.853 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.557 -0.961 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.139 -0.832 9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.587 -3.214 8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.057 -3.362 7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.710 -4.226 10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.888 -2.679 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.189 -2.971 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.738 -1.643 11.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.615 -3.097 11.208 1.00 0.00 H new ATOM 166 N VAL A 13 -4.368 0.581 4.517 1.00 0.00 N ATOM 167 CA VAL A 13 -4.057 0.494 3.095 1.00 0.00 C ATOM 168 C VAL A 13 -2.935 -0.506 2.839 1.00 0.00 C ATOM 169 O VAL A 13 -1.959 -0.563 3.587 1.00 0.00 O ATOM 170 CB VAL A 13 -3.647 1.865 2.525 1.00 0.00 C ATOM 171 CG1 VAL A 13 -4.863 2.765 2.369 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.599 2.521 3.411 1.00 0.00 C ATOM 0 H VAL A 13 -3.637 1.011 5.084 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.963 0.156 2.593 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.210 1.711 1.539 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.553 3.729 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.576 2.299 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.333 2.913 3.341 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.322 3.488 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.006 2.662 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.717 1.883 3.465 1.00 0.00 H new ATOM 182 N ARG A 14 -3.081 -1.292 1.778 1.00 0.00 N ATOM 183 CA ARG A 14 -2.080 -2.292 1.423 1.00 0.00 C ATOM 184 C ARG A 14 -1.160 -1.773 0.322 1.00 0.00 C ATOM 185 O ARG A 14 -1.623 -1.245 -0.689 1.00 0.00 O ATOM 186 CB ARG A 14 -2.758 -3.586 0.970 1.00 0.00 C ATOM 187 CG ARG A 14 -2.005 -4.842 1.377 1.00 0.00 C ATOM 188 CD ARG A 14 -2.956 -5.993 1.666 1.00 0.00 C ATOM 189 NE ARG A 14 -2.350 -6.997 2.537 1.00 0.00 N ATOM 190 CZ ARG A 14 -3.046 -7.904 3.219 1.00 0.00 C ATOM 191 NH1 ARG A 14 -4.370 -7.937 3.134 1.00 0.00 N ATOM 192 NH2 ARG A 14 -2.416 -8.782 3.989 1.00 0.00 N ATOM 0 H ARG A 14 -3.883 -1.256 1.149 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.478 -2.497 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.764 -3.624 1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.863 -3.571 -0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.317 -5.128 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.402 -4.636 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.862 -5.607 2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.256 -6.460 0.728 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.334 -7.003 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.860 -7.265 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.898 -8.634 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.399 -8.762 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.949 -9.477 4.512 1.00 0.00 H new ATOM 206 N PHE A 15 0.144 -1.931 0.525 1.00 0.00 N ATOM 207 CA PHE A 15 1.129 -1.481 -0.451 1.00 0.00 C ATOM 208 C PHE A 15 1.965 -2.652 -0.957 1.00 0.00 C ATOM 209 O PHE A 15 2.613 -3.348 -0.176 1.00 0.00 O ATOM 210 CB PHE A 15 2.040 -0.418 0.165 1.00 0.00 C ATOM 211 CG PHE A 15 1.332 0.867 0.486 1.00 0.00 C ATOM 212 CD1 PHE A 15 0.783 1.641 -0.525 1.00 0.00 C ATOM 213 CD2 PHE A 15 1.214 1.301 1.796 1.00 0.00 C ATOM 214 CE1 PHE A 15 0.129 2.824 -0.233 1.00 0.00 C ATOM 215 CE2 PHE A 15 0.561 2.482 2.094 1.00 0.00 C ATOM 216 CZ PHE A 15 0.019 3.245 1.078 1.00 0.00 C ATOM 0 H PHE A 15 0.543 -2.367 1.356 1.00 0.00 H new ATOM 0 HA PHE A 15 0.595 -1.046 -1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.484 -0.816 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 15 2.859 -0.210 -0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.867 1.316 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.637 0.709 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.295 3.418 -1.029 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.475 2.808 3.120 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.490 4.169 1.308 1.00 0.00 H new ATOM 226 N TYR A 16 1.942 -2.866 -2.269 1.00 0.00 N ATOM 227 CA TYR A 16 2.696 -3.955 -2.878 1.00 0.00 C ATOM 228 C TYR A 16 3.966 -3.434 -3.545 1.00 0.00 C ATOM 229 O TYR A 16 4.170 -2.225 -3.654 1.00 0.00 O ATOM 230 CB TYR A 16 1.832 -4.688 -3.904 1.00 0.00 C ATOM 231 CG TYR A 16 0.599 -5.330 -3.307 1.00 0.00 C ATOM 232 CD1 TYR A 16 -0.513 -4.568 -2.974 1.00 0.00 C ATOM 233 CD2 TYR A 16 0.549 -6.700 -3.077 1.00 0.00 C ATOM 234 CE1 TYR A 16 -1.640 -5.150 -2.428 1.00 0.00 C ATOM 235 CE2 TYR A 16 -0.575 -7.290 -2.532 1.00 0.00 C ATOM 236 CZ TYR A 16 -1.667 -6.511 -2.209 1.00 0.00 C ATOM 237 OH TYR A 16 -2.787 -7.095 -1.665 1.00 0.00 O ATOM 0 H TYR A 16 1.410 -2.300 -2.930 1.00 0.00 H new ATOM 0 HA TYR A 16 2.982 -4.651 -2.089 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.527 -3.985 -4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.433 -5.457 -4.390 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.496 -3.502 -3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.402 -7.313 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -2.496 -4.542 -2.174 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.599 -8.356 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.412 -7.334 -2.381 1.00 0.00 H new ATOM 247 N ARG A 17 4.815 -4.355 -3.987 1.00 0.00 N ATOM 248 CA ARG A 17 6.066 -3.990 -4.641 1.00 0.00 C ATOM 249 C ARG A 17 5.880 -3.889 -6.152 1.00 0.00 C ATOM 250 O ARG A 17 5.265 -4.758 -6.771 1.00 0.00 O ATOM 251 CB ARG A 17 7.154 -5.017 -4.313 1.00 0.00 C ATOM 252 CG ARG A 17 8.376 -4.412 -3.637 1.00 0.00 C ATOM 253 CD ARG A 17 8.618 -5.016 -2.261 1.00 0.00 C ATOM 254 NE ARG A 17 9.854 -5.795 -2.213 1.00 0.00 N ATOM 255 CZ ARG A 17 9.954 -7.055 -2.628 1.00 0.00 C ATOM 256 NH1 ARG A 17 8.897 -7.685 -3.127 1.00 0.00 N ATOM 257 NH2 ARG A 17 11.116 -7.689 -2.545 1.00 0.00 N ATOM 0 H ARG A 17 4.660 -5.360 -3.904 1.00 0.00 H new ATOM 0 HA ARG A 17 6.374 -3.014 -4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.733 -5.786 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.465 -5.511 -5.233 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.254 -4.571 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.243 -3.334 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.663 -4.219 -1.518 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.777 -5.655 -1.993 1.00 0.00 H new ATOM 0 HE ARG A 17 10.690 -5.346 -1.839 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.001 -7.203 -3.194 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.981 -8.651 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.932 -7.211 -2.163 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.194 -8.655 -2.863 1.00 0.00 H new ATOM 271 N ASN A 18 6.415 -2.824 -6.740 1.00 0.00 N ATOM 272 CA ASN A 18 6.307 -2.610 -8.178 1.00 0.00 C ATOM 273 C ASN A 18 7.266 -3.522 -8.936 1.00 0.00 C ATOM 274 O ASN A 18 8.469 -3.266 -8.990 1.00 0.00 O ATOM 275 CB ASN A 18 6.596 -1.148 -8.521 1.00 0.00 C ATOM 276 CG ASN A 18 6.039 -0.750 -9.874 1.00 0.00 C ATOM 277 OD1 ASN A 18 5.497 -1.581 -10.603 1.00 0.00 O ATOM 278 ND2 ASN A 18 6.167 0.527 -10.216 1.00 0.00 N ATOM 0 H ASN A 18 6.928 -2.096 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 18 5.288 -2.851 -8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.167 -0.506 -7.752 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.673 -0.982 -8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.809 0.853 -11.114 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.623 1.182 -9.581 1.00 0.00 H new ATOM 285 N GLY A 19 6.725 -4.586 -9.519 1.00 0.00 N ATOM 286 CA GLY A 19 7.547 -5.521 -10.265 1.00 0.00 C ATOM 287 C GLY A 19 7.766 -6.824 -9.521 1.00 0.00 C ATOM 288 O GLY A 19 8.776 -7.499 -9.720 1.00 0.00 O ATOM 0 H GLY A 19 5.732 -4.818 -9.488 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.074 -5.730 -11.225 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.512 -5.061 -10.478 1.00 0.00 H new ATOM 292 N ASP A 20 6.817 -7.177 -8.660 1.00 0.00 N ATOM 293 CA ASP A 20 6.908 -8.407 -7.882 1.00 0.00 C ATOM 294 C ASP A 20 5.520 -8.956 -7.570 1.00 0.00 C ATOM 295 O ASP A 20 4.738 -8.324 -6.859 1.00 0.00 O ATOM 296 CB ASP A 20 7.675 -8.157 -6.582 1.00 0.00 C ATOM 297 CG ASP A 20 8.549 -9.332 -6.190 1.00 0.00 C ATOM 298 OD1 ASP A 20 9.578 -9.555 -6.861 1.00 0.00 O ATOM 299 OD2 ASP A 20 8.203 -10.028 -5.213 1.00 0.00 O ATOM 0 H ASP A 20 5.976 -6.628 -8.483 1.00 0.00 H new ATOM 0 HA ASP A 20 7.446 -9.145 -8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.296 -7.268 -6.695 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.967 -7.951 -5.780 1.00 0.00 H new ATOM 304 N ARG A 21 5.220 -10.134 -8.106 1.00 0.00 N ATOM 305 CA ARG A 21 3.925 -10.765 -7.883 1.00 0.00 C ATOM 306 C ARG A 21 3.987 -11.741 -6.712 1.00 0.00 C ATOM 307 O ARG A 21 2.996 -11.948 -6.013 1.00 0.00 O ATOM 308 CB ARG A 21 3.465 -11.494 -9.147 1.00 0.00 C ATOM 309 CG ARG A 21 4.435 -12.563 -9.623 1.00 0.00 C ATOM 310 CD ARG A 21 3.771 -13.514 -10.606 1.00 0.00 C ATOM 311 NE ARG A 21 2.649 -14.228 -9.999 1.00 0.00 N ATOM 312 CZ ARG A 21 1.581 -14.648 -10.674 1.00 0.00 C ATOM 313 NH1 ARG A 21 1.484 -14.443 -11.982 1.00 0.00 N ATOM 314 NH2 ARG A 21 0.604 -15.281 -10.038 1.00 0.00 N ATOM 0 H ARG A 21 5.855 -10.670 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 21 3.206 -9.983 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.495 -11.954 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.322 -10.765 -9.944 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.296 -12.091 -10.096 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.809 -13.124 -8.767 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.419 -12.954 -11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.506 -14.233 -10.969 1.00 0.00 H new ATOM 0 HE ARG A 21 2.687 -14.416 -8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.232 -13.960 -12.479 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.662 -14.769 -12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.672 -15.445 -9.034 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.215 -15.603 -10.553 1.00 0.00 H new ATOM 328 N TYR A 22 5.158 -12.334 -6.501 1.00 0.00 N ATOM 329 CA TYR A 22 5.347 -13.286 -5.412 1.00 0.00 C ATOM 330 C TYR A 22 5.045 -12.636 -4.064 1.00 0.00 C ATOM 331 O TYR A 22 4.624 -13.306 -3.122 1.00 0.00 O ATOM 332 CB TYR A 22 6.777 -13.826 -5.422 1.00 0.00 C ATOM 333 CG TYR A 22 7.091 -14.689 -6.624 1.00 0.00 C ATOM 334 CD1 TYR A 22 6.699 -16.021 -6.669 1.00 0.00 C ATOM 335 CD2 TYR A 22 7.781 -14.170 -7.713 1.00 0.00 C ATOM 336 CE1 TYR A 22 6.985 -16.811 -7.766 1.00 0.00 C ATOM 337 CE2 TYR A 22 8.070 -14.955 -8.813 1.00 0.00 C ATOM 338 CZ TYR A 22 7.670 -16.274 -8.835 1.00 0.00 C ATOM 339 OH TYR A 22 7.955 -17.058 -9.928 1.00 0.00 O ATOM 0 H TYR A 22 5.989 -12.172 -7.069 1.00 0.00 H new ATOM 0 HA TYR A 22 4.653 -14.113 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 22 7.473 -12.988 -5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 22 6.943 -14.407 -4.515 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.162 -16.446 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 22 8.096 -13.137 -7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 22 6.673 -17.845 -7.786 1.00 0.00 H new ATOM 0 HE2 TYR A 22 8.607 -14.537 -9.652 1.00 0.00 H new ATOM 0 HH TYR A 22 8.441 -16.527 -10.593 1.00 0.00 H new ATOM 349 N PHE A 23 5.264 -11.326 -3.983 1.00 0.00 N ATOM 350 CA PHE A 23 5.015 -10.585 -2.752 1.00 0.00 C ATOM 351 C PHE A 23 3.555 -10.707 -2.329 1.00 0.00 C ATOM 352 O PHE A 23 2.651 -10.671 -3.164 1.00 0.00 O ATOM 353 CB PHE A 23 5.382 -9.112 -2.939 1.00 0.00 C ATOM 354 CG PHE A 23 5.581 -8.372 -1.647 1.00 0.00 C ATOM 355 CD1 PHE A 23 6.592 -8.738 -0.773 1.00 0.00 C ATOM 356 CD2 PHE A 23 4.756 -7.312 -1.307 1.00 0.00 C ATOM 357 CE1 PHE A 23 6.777 -8.059 0.416 1.00 0.00 C ATOM 358 CE2 PHE A 23 4.936 -6.629 -0.118 1.00 0.00 C ATOM 359 CZ PHE A 23 5.948 -7.003 0.744 1.00 0.00 C ATOM 0 H PHE A 23 5.613 -10.757 -4.755 1.00 0.00 H new ATOM 0 HA PHE A 23 5.638 -11.012 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 23 6.296 -9.046 -3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.596 -8.620 -3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.242 -9.563 -1.024 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.963 -7.016 -1.978 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.569 -8.353 1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.286 -5.805 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.091 -6.471 1.673 1.00 0.00 H new ATOM 369 N LYS A 24 3.332 -10.851 -1.026 1.00 0.00 N ATOM 370 CA LYS A 24 1.980 -10.978 -0.493 1.00 0.00 C ATOM 371 C LYS A 24 1.351 -9.606 -0.269 1.00 0.00 C ATOM 372 O LYS A 24 0.136 -9.445 -0.377 1.00 0.00 O ATOM 373 CB LYS A 24 2.000 -11.763 0.821 1.00 0.00 C ATOM 374 CG LYS A 24 1.889 -13.267 0.632 1.00 0.00 C ATOM 375 CD LYS A 24 2.495 -14.022 1.804 1.00 0.00 C ATOM 376 CE LYS A 24 1.426 -14.491 2.778 1.00 0.00 C ATOM 377 NZ LYS A 24 0.435 -15.391 2.125 1.00 0.00 N ATOM 0 H LYS A 24 4.069 -10.883 -0.321 1.00 0.00 H new ATOM 0 HA LYS A 24 1.378 -11.518 -1.223 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.924 -11.539 1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.178 -11.423 1.451 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.841 -13.545 0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.394 -13.557 -0.289 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.054 -14.882 1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.205 -13.379 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.898 -15.014 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.911 -13.626 3.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.076 -16.076 2.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.356 -14.826 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.892 -15.901 1.342 1.00 0.00 H new ATOM 391 N GLY A 25 2.187 -8.621 0.042 1.00 0.00 N ATOM 392 CA GLY A 25 1.695 -7.276 0.275 1.00 0.00 C ATOM 393 C GLY A 25 1.767 -6.877 1.736 1.00 0.00 C ATOM 394 O GLY A 25 1.526 -7.696 2.623 1.00 0.00 O ATOM 0 H GLY A 25 3.197 -8.730 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.276 -6.572 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.662 -7.206 -0.067 1.00 0.00 H new ATOM 398 N ILE A 26 2.102 -5.615 1.987 1.00 0.00 N ATOM 399 CA ILE A 26 2.206 -5.109 3.350 1.00 0.00 C ATOM 400 C ILE A 26 1.027 -4.200 3.690 1.00 0.00 C ATOM 401 O ILE A 26 0.596 -3.393 2.866 1.00 0.00 O ATOM 402 CB ILE A 26 3.522 -4.336 3.562 1.00 0.00 C ATOM 403 CG1 ILE A 26 3.659 -3.905 5.025 1.00 0.00 C ATOM 404 CG2 ILE A 26 3.589 -3.127 2.637 1.00 0.00 C ATOM 405 CD1 ILE A 26 5.082 -3.954 5.540 1.00 0.00 C ATOM 0 H ILE A 26 2.306 -4.925 1.264 1.00 0.00 H new ATOM 0 HA ILE A 26 2.194 -5.974 4.013 1.00 0.00 H new ATOM 0 HB ILE A 26 4.354 -4.997 3.319 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.277 -2.890 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.035 -4.549 5.645 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.526 -2.594 2.802 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.538 -3.459 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.751 -2.462 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.103 -3.636 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.462 -4.973 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.707 -3.289 4.945 1.00 0.00 H new ATOM 417 N VAL A 27 0.513 -4.337 4.907 1.00 0.00 N ATOM 418 CA VAL A 27 -0.614 -3.529 5.355 1.00 0.00 C ATOM 419 C VAL A 27 -0.139 -2.314 6.145 1.00 0.00 C ATOM 420 O VAL A 27 0.773 -2.412 6.967 1.00 0.00 O ATOM 421 CB VAL A 27 -1.581 -4.348 6.232 1.00 0.00 C ATOM 422 CG1 VAL A 27 -2.844 -3.552 6.523 1.00 0.00 C ATOM 423 CG2 VAL A 27 -1.919 -5.671 5.561 1.00 0.00 C ATOM 0 H VAL A 27 0.859 -5.000 5.601 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.139 -3.197 4.460 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.089 -4.563 7.180 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.514 -4.147 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.582 -2.634 7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.342 -3.304 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.603 -6.236 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.391 -5.480 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.006 -6.246 5.410 1.00 0.00 H new ATOM 433 N TYR A 28 -0.763 -1.169 5.891 1.00 0.00 N ATOM 434 CA TYR A 28 -0.403 0.067 6.578 1.00 0.00 C ATOM 435 C TYR A 28 -1.637 0.731 7.183 1.00 0.00 C ATOM 436 O TYR A 28 -2.620 0.987 6.487 1.00 0.00 O ATOM 437 CB TYR A 28 0.288 1.030 5.611 1.00 0.00 C ATOM 438 CG TYR A 28 1.799 0.965 5.669 1.00 0.00 C ATOM 439 CD1 TYR A 28 2.505 0.078 4.865 1.00 0.00 C ATOM 440 CD2 TYR A 28 2.516 1.790 6.524 1.00 0.00 C ATOM 441 CE1 TYR A 28 3.885 0.015 4.915 1.00 0.00 C ATOM 442 CE2 TYR A 28 3.896 1.733 6.579 1.00 0.00 C ATOM 443 CZ TYR A 28 4.575 0.845 5.773 1.00 0.00 C ATOM 444 OH TYR A 28 5.948 0.785 5.825 1.00 0.00 O ATOM 0 H TYR A 28 -1.520 -1.071 5.215 1.00 0.00 H new ATOM 0 HA TYR A 28 0.286 -0.181 7.385 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.038 0.808 4.595 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.033 2.048 5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.967 -0.572 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.987 2.488 7.157 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.420 -0.681 4.285 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.440 2.381 7.250 1.00 0.00 H new ATOM 0 HH TYR A 28 6.257 1.116 6.694 1.00 0.00 H new ATOM 454 N ALA A 29 -1.576 1.008 8.481 1.00 0.00 N ATOM 455 CA ALA A 29 -2.687 1.644 9.178 1.00 0.00 C ATOM 456 C ALA A 29 -2.513 3.158 9.223 1.00 0.00 C ATOM 457 O ALA A 29 -1.716 3.678 10.004 1.00 0.00 O ATOM 458 CB ALA A 29 -2.816 1.082 10.587 1.00 0.00 C ATOM 0 H ALA A 29 -0.770 0.802 9.071 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.602 1.427 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.649 1.565 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.996 0.008 10.535 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.895 1.269 11.139 1.00 0.00 H new ATOM 464 N ILE A 30 -3.262 3.859 8.379 1.00 0.00 N ATOM 465 CA ILE A 30 -3.190 5.314 8.322 1.00 0.00 C ATOM 466 C ILE A 30 -4.066 5.951 9.397 1.00 0.00 C ATOM 467 O ILE A 30 -5.272 5.710 9.452 1.00 0.00 O ATOM 468 CB ILE A 30 -3.625 5.845 6.943 1.00 0.00 C ATOM 469 CG1 ILE A 30 -2.909 5.080 5.829 1.00 0.00 C ATOM 470 CG2 ILE A 30 -3.343 7.337 6.836 1.00 0.00 C ATOM 471 CD1 ILE A 30 -1.409 5.276 5.828 1.00 0.00 C ATOM 0 H ILE A 30 -3.926 3.443 7.725 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.149 5.585 8.496 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.698 5.690 6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.128 4.017 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.309 5.397 4.866 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.656 7.697 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.895 7.868 7.611 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.275 7.516 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.968 4.704 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.180 6.333 5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.996 4.932 6.776 1.00 0.00 H new ATOM 483 N SER A 31 -3.449 6.763 10.249 1.00 0.00 N ATOM 484 CA SER A 31 -4.172 7.435 11.323 1.00 0.00 C ATOM 485 C SER A 31 -3.473 8.734 11.720 1.00 0.00 C ATOM 486 O SER A 31 -2.248 8.834 11.653 1.00 0.00 O ATOM 487 CB SER A 31 -4.295 6.512 12.538 1.00 0.00 C ATOM 488 OG SER A 31 -5.624 6.049 12.695 1.00 0.00 O ATOM 0 H SER A 31 -2.451 6.972 10.217 1.00 0.00 H new ATOM 0 HA SER A 31 -5.170 7.679 10.960 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.622 5.662 12.423 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.984 7.045 13.436 1.00 0.00 H new ATOM 0 HG SER A 31 -5.805 5.889 13.645 1.00 0.00 H new ATOM 494 N PRO A 32 -4.246 9.751 12.139 1.00 0.00 N ATOM 495 CA PRO A 32 -3.694 11.047 12.547 1.00 0.00 C ATOM 496 C PRO A 32 -2.605 10.906 13.605 1.00 0.00 C ATOM 497 O PRO A 32 -1.696 11.731 13.688 1.00 0.00 O ATOM 498 CB PRO A 32 -4.904 11.788 13.122 1.00 0.00 C ATOM 499 CG PRO A 32 -6.082 11.161 12.462 1.00 0.00 C ATOM 500 CD PRO A 32 -5.717 9.718 12.250 1.00 0.00 C ATOM 0 HA PRO A 32 -3.218 11.565 11.714 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.955 11.682 14.206 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.852 12.856 12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.972 11.251 13.085 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.305 11.651 11.514 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.043 9.094 13.082 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.179 9.315 11.349 1.00 0.00 H new ATOM 508 N ASP A 33 -2.704 9.855 14.413 1.00 0.00 N ATOM 509 CA ASP A 33 -1.728 9.607 15.467 1.00 0.00 C ATOM 510 C ASP A 33 -0.466 8.967 14.899 1.00 0.00 C ATOM 511 O ASP A 33 0.636 9.490 15.065 1.00 0.00 O ATOM 512 CB ASP A 33 -2.330 8.705 16.547 1.00 0.00 C ATOM 513 CG ASP A 33 -3.039 9.494 17.629 1.00 0.00 C ATOM 514 OD1 ASP A 33 -2.363 10.264 18.343 1.00 0.00 O ATOM 515 OD2 ASP A 33 -4.272 9.343 17.763 1.00 0.00 O ATOM 0 H ASP A 33 -3.450 9.162 14.358 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.459 10.565 15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.034 8.011 16.087 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.539 8.105 16.998 1.00 0.00 H new ATOM 520 N ARG A 34 -0.634 7.831 14.230 1.00 0.00 N ATOM 521 CA ARG A 34 0.492 7.119 13.637 1.00 0.00 C ATOM 522 C ARG A 34 1.182 7.976 12.580 1.00 0.00 C ATOM 523 O ARG A 34 2.288 8.472 12.795 1.00 0.00 O ATOM 524 CB ARG A 34 0.021 5.802 13.017 1.00 0.00 C ATOM 525 CG ARG A 34 0.220 4.598 13.924 1.00 0.00 C ATOM 526 CD ARG A 34 -0.080 3.298 13.195 1.00 0.00 C ATOM 527 NE ARG A 34 -0.731 2.320 14.064 1.00 0.00 N ATOM 528 CZ ARG A 34 -2.011 2.384 14.423 1.00 0.00 C ATOM 529 NH1 ARG A 34 -2.780 3.376 13.990 1.00 0.00 N ATOM 530 NH2 ARG A 34 -2.524 1.454 15.216 1.00 0.00 N ATOM 0 H ARG A 34 -1.539 7.384 14.085 1.00 0.00 H new ATOM 0 HA ARG A 34 1.210 6.903 14.428 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.036 5.886 12.765 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.559 5.636 12.084 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.246 4.583 14.291 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.429 4.686 14.796 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.720 3.503 12.337 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.848 2.877 12.807 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.172 1.543 14.416 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.390 4.094 13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.760 3.420 14.268 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.938 0.689 15.551 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.505 1.503 15.491 1.00 0.00 H new ATOM 544 N PHE A 35 0.522 8.145 11.440 1.00 0.00 N ATOM 545 CA PHE A 35 1.072 8.941 10.350 1.00 0.00 C ATOM 546 C PHE A 35 0.472 10.343 10.342 1.00 0.00 C ATOM 547 O PHE A 35 -0.748 10.507 10.392 1.00 0.00 O ATOM 548 CB PHE A 35 0.815 8.255 9.007 1.00 0.00 C ATOM 549 CG PHE A 35 1.409 6.878 8.916 1.00 0.00 C ATOM 550 CD1 PHE A 35 2.742 6.706 8.576 1.00 0.00 C ATOM 551 CD2 PHE A 35 0.636 5.756 9.170 1.00 0.00 C ATOM 552 CE1 PHE A 35 3.291 5.441 8.491 1.00 0.00 C ATOM 553 CE2 PHE A 35 1.180 4.489 9.087 1.00 0.00 C ATOM 554 CZ PHE A 35 2.509 4.331 8.747 1.00 0.00 C ATOM 0 H PHE A 35 -0.395 7.741 11.247 1.00 0.00 H new ATOM 0 HA PHE A 35 2.147 9.027 10.505 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.260 8.190 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.225 8.873 8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.358 7.570 8.375 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.404 5.874 9.436 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.331 5.320 8.225 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.567 3.623 9.288 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.937 3.341 8.681 1.00 0.00 H new ATOM 564 N ARG A 36 1.336 11.350 10.280 1.00 0.00 N ATOM 565 CA ARG A 36 0.893 12.740 10.266 1.00 0.00 C ATOM 566 C ARG A 36 0.902 13.299 8.847 1.00 0.00 C ATOM 567 O ARG A 36 0.008 14.051 8.461 1.00 0.00 O ATOM 568 CB ARG A 36 1.791 13.590 11.166 1.00 0.00 C ATOM 569 CG ARG A 36 1.136 14.878 11.639 1.00 0.00 C ATOM 570 CD ARG A 36 0.721 14.794 13.102 1.00 0.00 C ATOM 571 NE ARG A 36 1.618 15.556 13.970 1.00 0.00 N ATOM 572 CZ ARG A 36 2.654 15.030 14.623 1.00 0.00 C ATOM 573 NH1 ARG A 36 2.935 13.737 14.516 1.00 0.00 N ATOM 574 NH2 ARG A 36 3.414 15.802 15.387 1.00 0.00 N ATOM 0 H ARG A 36 2.348 11.230 10.239 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.129 12.775 10.645 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.082 13.000 12.035 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.705 13.835 10.626 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.828 15.709 11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.261 15.089 11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.296 15.170 13.213 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.711 13.751 13.417 1.00 0.00 H new ATOM 0 HE ARG A 36 1.439 16.554 14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.356 13.136 13.930 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.730 13.345 15.020 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.205 16.797 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.207 15.401 15.888 1.00 0.00 H new ATOM 588 N SER A 37 1.918 12.925 8.076 1.00 0.00 N ATOM 589 CA SER A 37 2.043 13.390 6.700 1.00 0.00 C ATOM 590 C SER A 37 2.530 12.266 5.791 1.00 0.00 C ATOM 591 O SER A 37 2.672 11.122 6.223 1.00 0.00 O ATOM 592 CB SER A 37 3.005 14.576 6.625 1.00 0.00 C ATOM 593 OG SER A 37 2.573 15.637 7.460 1.00 0.00 O ATOM 0 H SER A 37 2.666 12.302 8.381 1.00 0.00 H new ATOM 0 HA SER A 37 1.058 13.710 6.359 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.004 14.258 6.924 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.077 14.926 5.595 1.00 0.00 H new ATOM 0 HG SER A 37 3.206 16.383 7.395 1.00 0.00 H new ATOM 599 N PHE A 38 2.786 12.600 4.530 1.00 0.00 N ATOM 600 CA PHE A 38 3.257 11.618 3.561 1.00 0.00 C ATOM 601 C PHE A 38 4.727 11.284 3.797 1.00 0.00 C ATOM 602 O PHE A 38 5.169 10.166 3.534 1.00 0.00 O ATOM 603 CB PHE A 38 3.062 12.141 2.136 1.00 0.00 C ATOM 604 CG PHE A 38 2.514 11.111 1.191 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.205 10.671 1.308 1.00 0.00 C ATOM 606 CD2 PHE A 38 3.306 10.584 0.185 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.698 9.723 0.441 1.00 0.00 C ATOM 608 CE2 PHE A 38 2.805 9.635 -0.687 1.00 0.00 C ATOM 609 CZ PHE A 38 1.498 9.204 -0.559 1.00 0.00 C ATOM 0 H PHE A 38 2.675 13.542 4.156 1.00 0.00 H new ATOM 0 HA PHE A 38 2.671 10.708 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.387 12.996 2.160 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.018 12.500 1.755 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.574 11.074 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.328 10.918 0.080 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.323 9.387 0.545 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.434 9.231 -1.467 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.103 8.464 -1.239 1.00 0.00 H new ATOM 619 N GLU A 39 5.478 12.261 4.295 1.00 0.00 N ATOM 620 CA GLU A 39 6.898 12.069 4.568 1.00 0.00 C ATOM 621 C GLU A 39 7.111 10.943 5.574 1.00 0.00 C ATOM 622 O GLU A 39 8.106 10.221 5.512 1.00 0.00 O ATOM 623 CB GLU A 39 7.517 13.364 5.097 1.00 0.00 C ATOM 624 CG GLU A 39 7.176 14.588 4.263 1.00 0.00 C ATOM 625 CD GLU A 39 8.387 15.176 3.565 1.00 0.00 C ATOM 626 OE1 GLU A 39 9.070 16.024 4.175 1.00 0.00 O ATOM 627 OE2 GLU A 39 8.651 14.788 2.407 1.00 0.00 O ATOM 0 H GLU A 39 5.128 13.193 4.518 1.00 0.00 H new ATOM 0 HA GLU A 39 7.388 11.795 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.179 13.527 6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.600 13.250 5.134 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.428 14.318 3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.728 15.346 4.905 1.00 0.00 H new ATOM 634 N ALA A 40 6.170 10.800 6.501 1.00 0.00 N ATOM 635 CA ALA A 40 6.254 9.764 7.523 1.00 0.00 C ATOM 636 C ALA A 40 5.926 8.392 6.942 1.00 0.00 C ATOM 637 O ALA A 40 6.453 7.375 7.392 1.00 0.00 O ATOM 638 CB ALA A 40 5.319 10.088 8.679 1.00 0.00 C ATOM 0 H ALA A 40 5.340 11.389 6.565 1.00 0.00 H new ATOM 0 HA ALA A 40 7.278 9.736 7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.391 9.307 9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.601 11.045 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.294 10.145 8.313 1.00 0.00 H new ATOM 644 N LEU A 41 5.051 8.371 5.943 1.00 0.00 N ATOM 645 CA LEU A 41 4.652 7.123 5.302 1.00 0.00 C ATOM 646 C LEU A 41 5.729 6.637 4.337 1.00 0.00 C ATOM 647 O LEU A 41 5.902 5.435 4.139 1.00 0.00 O ATOM 648 CB LEU A 41 3.329 7.308 4.557 1.00 0.00 C ATOM 649 CG LEU A 41 2.690 6.017 4.042 1.00 0.00 C ATOM 650 CD1 LEU A 41 2.229 5.150 5.203 1.00 0.00 C ATOM 651 CD2 LEU A 41 1.527 6.333 3.114 1.00 0.00 C ATOM 0 H LEU A 41 4.604 9.204 5.559 1.00 0.00 H new ATOM 0 HA LEU A 41 4.521 6.371 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.622 7.806 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.496 7.975 3.711 1.00 0.00 H new ATOM 0 HG LEU A 41 3.439 5.462 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.777 4.236 4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.084 4.896 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.495 5.696 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.084 5.404 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.776 6.909 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.887 6.914 2.264 1.00 0.00 H new ATOM 663 N LEU A 42 6.450 7.580 3.738 1.00 0.00 N ATOM 664 CA LEU A 42 7.510 7.246 2.793 1.00 0.00 C ATOM 665 C LEU A 42 8.708 6.636 3.513 1.00 0.00 C ATOM 666 O LEU A 42 9.300 5.665 3.040 1.00 0.00 O ATOM 667 CB LEU A 42 7.944 8.493 2.021 1.00 0.00 C ATOM 668 CG LEU A 42 6.879 9.088 1.099 1.00 0.00 C ATOM 669 CD1 LEU A 42 7.179 10.550 0.810 1.00 0.00 C ATOM 670 CD2 LEU A 42 6.793 8.293 -0.195 1.00 0.00 C ATOM 0 H LEU A 42 6.320 8.580 3.890 1.00 0.00 H new ATOM 0 HA LEU A 42 7.119 6.510 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.250 9.256 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.822 8.245 1.424 1.00 0.00 H new ATOM 0 HG LEU A 42 5.914 9.030 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.410 10.956 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.190 11.111 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.152 10.633 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.030 8.729 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.757 8.320 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.530 7.259 0.030 1.00 0.00 H new ATOM 682 N ALA A 43 9.062 7.212 4.657 1.00 0.00 N ATOM 683 CA ALA A 43 10.191 6.724 5.440 1.00 0.00 C ATOM 684 C ALA A 43 9.910 5.336 6.004 1.00 0.00 C ATOM 685 O ALA A 43 10.825 4.531 6.183 1.00 0.00 O ATOM 686 CB ALA A 43 10.510 7.698 6.565 1.00 0.00 C ATOM 0 H ALA A 43 8.584 8.017 5.062 1.00 0.00 H new ATOM 0 HA ALA A 43 11.055 6.650 4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 43 11.355 7.323 7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.762 8.671 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.642 7.799 7.216 1.00 0.00 H new ATOM 692 N ASP A 44 8.640 5.060 6.282 1.00 0.00 N ATOM 693 CA ASP A 44 8.239 3.768 6.826 1.00 0.00 C ATOM 694 C ASP A 44 8.157 2.716 5.725 1.00 0.00 C ATOM 695 O ASP A 44 8.452 1.543 5.949 1.00 0.00 O ATOM 696 CB ASP A 44 6.891 3.887 7.539 1.00 0.00 C ATOM 697 CG ASP A 44 6.863 3.132 8.853 1.00 0.00 C ATOM 698 OD1 ASP A 44 7.639 3.493 9.762 1.00 0.00 O ATOM 699 OD2 ASP A 44 6.063 2.181 8.974 1.00 0.00 O ATOM 0 H ASP A 44 7.871 5.714 6.139 1.00 0.00 H new ATOM 0 HA ASP A 44 8.995 3.454 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.672 4.939 7.723 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.104 3.507 6.888 1.00 0.00 H new ATOM 704 N LEU A 45 7.754 3.145 4.533 1.00 0.00 N ATOM 705 CA LEU A 45 7.632 2.240 3.395 1.00 0.00 C ATOM 706 C LEU A 45 9.007 1.820 2.885 1.00 0.00 C ATOM 707 O LEU A 45 9.196 0.689 2.437 1.00 0.00 O ATOM 708 CB LEU A 45 6.839 2.906 2.270 1.00 0.00 C ATOM 709 CG LEU A 45 5.319 2.856 2.430 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.647 3.798 1.443 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.811 1.434 2.243 1.00 0.00 C ATOM 0 H LEU A 45 7.506 4.113 4.330 1.00 0.00 H new ATOM 0 HA LEU A 45 7.099 1.349 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.147 3.949 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.105 2.429 1.327 1.00 0.00 H new ATOM 0 HG LEU A 45 5.068 3.181 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.566 3.749 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.988 4.817 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.905 3.504 0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.727 1.416 2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.074 1.082 1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.267 0.784 2.989 1.00 0.00 H new ATOM 723 N THR A 46 9.964 2.740 2.956 1.00 0.00 N ATOM 724 CA THR A 46 11.322 2.467 2.501 1.00 0.00 C ATOM 725 C THR A 46 12.012 1.461 3.418 1.00 0.00 C ATOM 726 O THR A 46 12.860 0.686 2.979 1.00 0.00 O ATOM 727 CB THR A 46 12.133 3.762 2.445 1.00 0.00 C ATOM 728 OG1 THR A 46 11.495 4.718 1.618 1.00 0.00 O ATOM 729 CG2 THR A 46 13.538 3.566 1.920 1.00 0.00 C ATOM 0 H THR A 46 9.824 3.681 3.324 1.00 0.00 H new ATOM 0 HA THR A 46 11.264 2.039 1.500 1.00 0.00 H new ATOM 0 HB THR A 46 12.193 4.109 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.710 5.079 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.058 4.524 1.906 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.074 2.871 2.566 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.495 3.162 0.909 1.00 0.00 H new ATOM 737 N ARG A 47 11.642 1.482 4.694 1.00 0.00 N ATOM 738 CA ARG A 47 12.225 0.572 5.673 1.00 0.00 C ATOM 739 C ARG A 47 11.745 -0.858 5.442 1.00 0.00 C ATOM 740 O ARG A 47 12.457 -1.818 5.743 1.00 0.00 O ATOM 741 CB ARG A 47 11.870 1.018 7.091 1.00 0.00 C ATOM 742 CG ARG A 47 12.849 0.532 8.147 1.00 0.00 C ATOM 743 CD ARG A 47 13.147 1.612 9.176 1.00 0.00 C ATOM 744 NE ARG A 47 14.464 2.211 8.974 1.00 0.00 N ATOM 745 CZ ARG A 47 14.831 3.385 9.484 1.00 0.00 C ATOM 746 NH1 ARG A 47 13.983 4.089 10.225 1.00 0.00 N ATOM 747 NH2 ARG A 47 16.049 3.857 9.253 1.00 0.00 N ATOM 0 H ARG A 47 10.942 2.119 5.074 1.00 0.00 H new ATOM 0 HA ARG A 47 13.308 0.596 5.553 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.828 2.107 7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.873 0.654 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.439 -0.345 8.648 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.777 0.220 7.667 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.383 2.388 9.119 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.093 1.184 10.177 1.00 0.00 H new ATOM 0 HE ARG A 47 15.142 1.700 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.045 3.731 10.406 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.270 4.988 10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.704 3.321 8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.330 4.756 9.644 1.00 0.00 H new ATOM 761 N THR A 48 10.536 -0.994 4.909 1.00 0.00 N ATOM 762 CA THR A 48 9.963 -2.307 4.639 1.00 0.00 C ATOM 763 C THR A 48 10.139 -2.690 3.172 1.00 0.00 C ATOM 764 O THR A 48 10.827 -3.658 2.851 1.00 0.00 O ATOM 765 CB THR A 48 8.478 -2.323 5.006 1.00 0.00 C ATOM 766 OG1 THR A 48 7.773 -1.329 4.286 1.00 0.00 O ATOM 767 CG2 THR A 48 8.223 -2.090 6.480 1.00 0.00 C ATOM 0 H THR A 48 9.934 -0.211 4.655 1.00 0.00 H new ATOM 0 HA THR A 48 10.491 -3.038 5.252 1.00 0.00 H new ATOM 0 HB THR A 48 8.127 -3.322 4.747 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.253 -0.780 4.910 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.150 -2.114 6.672 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.713 -2.871 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.622 -1.118 6.769 1.00 0.00 H new ATOM 775 N LEU A 49 9.511 -1.922 2.287 1.00 0.00 N ATOM 776 CA LEU A 49 9.598 -2.180 0.855 1.00 0.00 C ATOM 777 C LEU A 49 10.781 -1.443 0.237 1.00 0.00 C ATOM 778 O LEU A 49 10.630 -0.347 -0.303 1.00 0.00 O ATOM 779 CB LEU A 49 8.302 -1.757 0.160 1.00 0.00 C ATOM 780 CG LEU A 49 7.017 -2.233 0.840 1.00 0.00 C ATOM 781 CD1 LEU A 49 5.804 -1.553 0.224 1.00 0.00 C ATOM 782 CD2 LEU A 49 6.892 -3.746 0.739 1.00 0.00 C ATOM 0 H LEU A 49 8.937 -1.117 2.537 1.00 0.00 H new ATOM 0 HA LEU A 49 9.747 -3.251 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.280 -0.669 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 8.316 -2.135 -0.862 1.00 0.00 H new ATOM 0 HG LEU A 49 7.063 -1.961 1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.899 -1.904 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.890 -0.473 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.752 -1.794 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.973 -4.069 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.868 -4.040 -0.310 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.746 -4.215 1.227 1.00 0.00 H new ATOM 794 N SER A 50 11.960 -2.052 0.320 1.00 0.00 N ATOM 795 CA SER A 50 13.172 -1.453 -0.232 1.00 0.00 C ATOM 796 C SER A 50 14.372 -2.375 -0.038 1.00 0.00 C ATOM 797 O SER A 50 15.170 -2.185 0.880 1.00 0.00 O ATOM 798 CB SER A 50 13.443 -0.098 0.424 1.00 0.00 C ATOM 799 OG SER A 50 14.105 0.779 -0.471 1.00 0.00 O ATOM 0 H SER A 50 12.103 -2.959 0.764 1.00 0.00 H new ATOM 0 HA SER A 50 13.019 -1.306 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.502 0.348 0.746 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.052 -0.238 1.317 1.00 0.00 H new ATOM 0 HG SER A 50 14.242 0.327 -1.330 1.00 0.00 H new ATOM 805 N ASP A 51 14.493 -3.372 -0.908 1.00 0.00 N ATOM 806 CA ASP A 51 15.596 -4.322 -0.830 1.00 0.00 C ATOM 807 C ASP A 51 16.750 -3.892 -1.730 1.00 0.00 C ATOM 808 O ASP A 51 17.775 -3.406 -1.252 1.00 0.00 O ATOM 809 CB ASP A 51 15.119 -5.722 -1.226 1.00 0.00 C ATOM 810 CG ASP A 51 14.125 -6.295 -0.235 1.00 0.00 C ATOM 811 OD1 ASP A 51 14.236 -5.979 0.968 1.00 0.00 O ATOM 812 OD2 ASP A 51 13.235 -7.060 -0.663 1.00 0.00 O ATOM 0 H ASP A 51 13.842 -3.543 -1.674 1.00 0.00 H new ATOM 0 HA ASP A 51 15.952 -4.344 0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.660 -5.681 -2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.978 -6.388 -1.301 1.00 0.00 H new ATOM 817 N ASN A 52 16.576 -4.073 -3.036 1.00 0.00 N ATOM 818 CA ASN A 52 17.604 -3.702 -4.001 1.00 0.00 C ATOM 819 C ASN A 52 17.121 -3.943 -5.428 1.00 0.00 C ATOM 820 O ASN A 52 17.103 -3.027 -6.251 1.00 0.00 O ATOM 821 CB ASN A 52 18.886 -4.497 -3.743 1.00 0.00 C ATOM 822 CG ASN A 52 20.134 -3.656 -3.924 1.00 0.00 C ATOM 823 OD1 ASN A 52 20.279 -2.599 -3.308 1.00 0.00 O ATOM 824 ND2 ASN A 52 21.043 -4.120 -4.771 1.00 0.00 N ATOM 0 H ASN A 52 15.734 -4.474 -3.449 1.00 0.00 H new ATOM 0 HA ASN A 52 17.814 -2.639 -3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.864 -4.897 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.924 -5.350 -4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.903 -3.596 -4.933 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.882 -5.000 -5.260 1.00 0.00 H new ATOM 831 N VAL A 53 16.731 -5.180 -5.715 1.00 0.00 N ATOM 832 CA VAL A 53 16.248 -5.541 -7.043 1.00 0.00 C ATOM 833 C VAL A 53 14.909 -4.874 -7.338 1.00 0.00 C ATOM 834 O VAL A 53 14.660 -4.427 -8.458 1.00 0.00 O ATOM 835 CB VAL A 53 16.091 -7.066 -7.188 1.00 0.00 C ATOM 836 CG1 VAL A 53 15.779 -7.436 -8.630 1.00 0.00 C ATOM 837 CG2 VAL A 53 17.345 -7.779 -6.706 1.00 0.00 C ATOM 0 H VAL A 53 16.740 -5.950 -5.046 1.00 0.00 H new ATOM 0 HA VAL A 53 16.993 -5.191 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 53 15.256 -7.388 -6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.672 -8.518 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 53 14.850 -6.954 -8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.591 -7.102 -9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 53 17.216 -8.856 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 53 18.199 -7.453 -7.299 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.519 -7.540 -5.657 1.00 0.00 H new ATOM 847 N ASN A 54 14.050 -4.809 -6.327 1.00 0.00 N ATOM 848 CA ASN A 54 12.736 -4.197 -6.477 1.00 0.00 C ATOM 849 C ASN A 54 12.832 -2.677 -6.402 1.00 0.00 C ATOM 850 O ASN A 54 12.620 -1.981 -7.396 1.00 0.00 O ATOM 851 CB ASN A 54 11.784 -4.713 -5.396 1.00 0.00 C ATOM 852 CG ASN A 54 11.327 -6.134 -5.660 1.00 0.00 C ATOM 853 OD1 ASN A 54 10.301 -6.360 -6.300 1.00 0.00 O ATOM 854 ND2 ASN A 54 12.089 -7.102 -5.163 1.00 0.00 N ATOM 0 H ASN A 54 14.241 -5.173 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 54 12.345 -4.470 -7.457 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.280 -4.668 -4.427 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.914 -4.059 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.831 -8.078 -5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.932 -6.869 -4.638 1.00 0.00 H new ATOM 861 N LEU A 55 13.153 -2.166 -5.218 1.00 0.00 N ATOM 862 CA LEU A 55 13.276 -0.728 -5.013 1.00 0.00 C ATOM 863 C LEU A 55 14.565 -0.392 -4.265 1.00 0.00 C ATOM 864 O LEU A 55 14.571 -0.283 -3.039 1.00 0.00 O ATOM 865 CB LEU A 55 12.070 -0.196 -4.237 1.00 0.00 C ATOM 866 CG LEU A 55 10.716 -0.417 -4.913 1.00 0.00 C ATOM 867 CD1 LEU A 55 9.630 -0.639 -3.872 1.00 0.00 C ATOM 868 CD2 LEU A 55 10.369 0.766 -5.805 1.00 0.00 C ATOM 0 H LEU A 55 13.333 -2.727 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 55 13.309 -0.249 -5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.051 -0.670 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.206 0.873 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 55 10.781 -1.310 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.674 -0.794 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.874 -1.517 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.563 0.235 -3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.403 0.593 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.321 1.674 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.134 0.880 -6.573 1.00 0.00 H new ATOM 880 N PRO A 56 15.679 -0.223 -4.998 1.00 0.00 N ATOM 881 CA PRO A 56 16.977 0.102 -4.399 1.00 0.00 C ATOM 882 C PRO A 56 17.016 1.520 -3.838 1.00 0.00 C ATOM 883 O PRO A 56 17.747 1.803 -2.889 1.00 0.00 O ATOM 884 CB PRO A 56 17.955 -0.037 -5.568 1.00 0.00 C ATOM 885 CG PRO A 56 17.129 0.204 -6.783 1.00 0.00 C ATOM 886 CD PRO A 56 15.760 -0.335 -6.468 1.00 0.00 C ATOM 0 HA PRO A 56 17.209 -0.546 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 56 18.768 0.685 -5.492 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.410 -1.027 -5.588 1.00 0.00 H new ATOM 0 HG2 PRO A 56 17.085 1.267 -7.020 1.00 0.00 H new ATOM 0 HG3 PRO A 56 17.556 -0.299 -7.651 1.00 0.00 H new ATOM 0 HD2 PRO A 56 14.977 0.244 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 56 15.648 -1.367 -6.799 1.00 0.00 H new ATOM 894 N GLN A 57 16.224 2.407 -4.431 1.00 0.00 N ATOM 895 CA GLN A 57 16.167 3.795 -3.991 1.00 0.00 C ATOM 896 C GLN A 57 15.170 3.964 -2.848 1.00 0.00 C ATOM 897 O GLN A 57 15.446 4.654 -1.867 1.00 0.00 O ATOM 898 CB GLN A 57 15.786 4.707 -5.159 1.00 0.00 C ATOM 899 CG GLN A 57 16.704 5.909 -5.318 1.00 0.00 C ATOM 900 CD GLN A 57 17.453 5.903 -6.635 1.00 0.00 C ATOM 901 OE1 GLN A 57 16.899 6.240 -7.681 1.00 0.00 O ATOM 902 NE2 GLN A 57 18.724 5.517 -6.591 1.00 0.00 N ATOM 0 H GLN A 57 15.613 2.189 -5.218 1.00 0.00 H new ATOM 0 HA GLN A 57 17.156 4.076 -3.629 1.00 0.00 H new ATOM 0 HB2 GLN A 57 15.799 4.126 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 57 14.764 5.057 -5.017 1.00 0.00 H new ATOM 0 HG2 GLN A 57 16.115 6.823 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 57 17.421 5.924 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.144 5.246 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 19.279 5.492 -7.446 1.00 0.00 H new ATOM 911 N GLY A 58 14.009 3.330 -2.984 1.00 0.00 N ATOM 912 CA GLY A 58 12.990 3.424 -1.955 1.00 0.00 C ATOM 913 C GLY A 58 11.602 3.632 -2.529 1.00 0.00 C ATOM 914 O GLY A 58 11.203 2.948 -3.472 1.00 0.00 O ATOM 0 H GLY A 58 13.756 2.754 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.999 2.514 -1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.230 4.250 -1.285 1.00 0.00 H new ATOM 918 N VAL A 59 10.863 4.579 -1.957 1.00 0.00 N ATOM 919 CA VAL A 59 9.513 4.875 -2.416 1.00 0.00 C ATOM 920 C VAL A 59 9.250 6.379 -2.415 1.00 0.00 C ATOM 921 O VAL A 59 9.254 7.019 -1.363 1.00 0.00 O ATOM 922 CB VAL A 59 8.456 4.176 -1.536 1.00 0.00 C ATOM 923 CG1 VAL A 59 8.540 4.669 -0.099 1.00 0.00 C ATOM 924 CG2 VAL A 59 7.060 4.389 -2.102 1.00 0.00 C ATOM 0 H VAL A 59 11.178 5.153 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 59 9.433 4.497 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 59 8.663 3.106 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.786 4.163 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.530 4.453 0.302 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.364 5.744 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.329 3.888 -1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.840 5.456 -2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.009 3.976 -3.109 1.00 0.00 H new ATOM 934 N ARG A 60 9.022 6.937 -3.600 1.00 0.00 N ATOM 935 CA ARG A 60 8.757 8.365 -3.734 1.00 0.00 C ATOM 936 C ARG A 60 7.340 8.610 -4.245 1.00 0.00 C ATOM 937 O ARG A 60 6.625 9.470 -3.733 1.00 0.00 O ATOM 938 CB ARG A 60 9.776 9.007 -4.681 1.00 0.00 C ATOM 939 CG ARG A 60 10.730 9.965 -3.985 1.00 0.00 C ATOM 940 CD ARG A 60 11.373 10.926 -4.973 1.00 0.00 C ATOM 941 NE ARG A 60 12.641 11.453 -4.476 1.00 0.00 N ATOM 942 CZ ARG A 60 12.739 12.351 -3.498 1.00 0.00 C ATOM 943 NH1 ARG A 60 11.648 12.825 -2.911 1.00 0.00 N ATOM 944 NH2 ARG A 60 13.933 12.776 -3.106 1.00 0.00 N ATOM 0 H ARG A 60 9.015 6.422 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 60 8.850 8.822 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.354 8.221 -5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.243 9.544 -5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.190 10.530 -3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.505 9.398 -3.470 1.00 0.00 H new ATOM 0 HD2 ARG A 60 11.540 10.414 -5.921 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.690 11.752 -5.172 1.00 0.00 H new ATOM 0 HE ARG A 60 13.502 11.113 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.727 12.502 -3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.730 13.513 -2.162 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.775 12.415 -3.554 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.009 13.464 -2.357 1.00 0.00 H new ATOM 958 N THR A 61 6.941 7.845 -5.257 1.00 0.00 N ATOM 959 CA THR A 61 5.609 7.979 -5.837 1.00 0.00 C ATOM 960 C THR A 61 4.838 6.666 -5.734 1.00 0.00 C ATOM 961 O THR A 61 5.294 5.627 -6.211 1.00 0.00 O ATOM 962 CB THR A 61 5.708 8.411 -7.300 1.00 0.00 C ATOM 963 OG1 THR A 61 6.815 9.273 -7.494 1.00 0.00 O ATOM 964 CG2 THR A 61 4.472 9.132 -7.794 1.00 0.00 C ATOM 0 H THR A 61 7.520 7.127 -5.692 1.00 0.00 H new ATOM 0 HA THR A 61 5.070 8.743 -5.276 1.00 0.00 H new ATOM 0 HB THR A 61 5.823 7.488 -7.868 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.863 9.537 -8.437 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.607 9.411 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.607 8.475 -7.703 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.311 10.029 -7.196 1.00 0.00 H new ATOM 972 N ILE A 62 3.667 6.721 -5.107 1.00 0.00 N ATOM 973 CA ILE A 62 2.833 5.538 -4.941 1.00 0.00 C ATOM 974 C ILE A 62 1.625 5.583 -5.870 1.00 0.00 C ATOM 975 O ILE A 62 0.836 6.527 -5.834 1.00 0.00 O ATOM 976 CB ILE A 62 2.344 5.395 -3.488 1.00 0.00 C ATOM 977 CG1 ILE A 62 3.515 5.547 -2.515 1.00 0.00 C ATOM 978 CG2 ILE A 62 1.653 4.054 -3.290 1.00 0.00 C ATOM 979 CD1 ILE A 62 3.088 5.674 -1.069 1.00 0.00 C ATOM 0 H ILE A 62 3.275 7.573 -4.706 1.00 0.00 H new ATOM 0 HA ILE A 62 3.451 4.677 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 62 1.622 6.186 -3.284 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.175 4.685 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.095 6.427 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.313 3.969 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.797 3.983 -3.961 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.353 3.248 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.970 5.778 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.453 6.552 -0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.533 4.783 -0.774 1.00 0.00 H new ATOM 991 N TYR A 63 1.488 4.557 -6.704 1.00 0.00 N ATOM 992 CA TYR A 63 0.376 4.481 -7.645 1.00 0.00 C ATOM 993 C TYR A 63 -0.715 3.550 -7.126 1.00 0.00 C ATOM 994 O TYR A 63 -0.488 2.759 -6.211 1.00 0.00 O ATOM 995 CB TYR A 63 0.870 3.997 -9.010 1.00 0.00 C ATOM 996 CG TYR A 63 1.921 4.891 -9.626 1.00 0.00 C ATOM 997 CD1 TYR A 63 3.261 4.756 -9.285 1.00 0.00 C ATOM 998 CD2 TYR A 63 1.575 5.871 -10.548 1.00 0.00 C ATOM 999 CE1 TYR A 63 4.226 5.573 -9.844 1.00 0.00 C ATOM 1000 CE2 TYR A 63 2.534 6.690 -11.113 1.00 0.00 C ATOM 1001 CZ TYR A 63 3.857 6.537 -10.758 1.00 0.00 C ATOM 1002 OH TYR A 63 4.814 7.352 -11.317 1.00 0.00 O ATOM 0 H TYR A 63 2.132 3.768 -6.747 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.047 5.480 -7.752 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.277 2.992 -8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.021 3.927 -9.690 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.554 4.000 -8.571 1.00 0.00 H new ATOM 0 HD2 TYR A 63 0.539 5.995 -10.828 1.00 0.00 H new ATOM 0 HE1 TYR A 63 5.263 5.457 -9.566 1.00 0.00 H new ATOM 0 HE2 TYR A 63 2.248 7.446 -11.829 1.00 0.00 H new ATOM 0 HH TYR A 63 4.388 7.976 -11.941 1.00 0.00 H new ATOM 1012 N THR A 64 -1.900 3.650 -7.720 1.00 0.00 N ATOM 1013 CA THR A 64 -3.027 2.817 -7.319 1.00 0.00 C ATOM 1014 C THR A 64 -2.803 1.364 -7.729 1.00 0.00 C ATOM 1015 O THR A 64 -1.840 1.049 -8.428 1.00 0.00 O ATOM 1016 CB THR A 64 -4.322 3.340 -7.943 1.00 0.00 C ATOM 1017 OG1 THR A 64 -4.275 3.242 -9.355 1.00 0.00 O ATOM 1018 CG2 THR A 64 -4.614 4.784 -7.593 1.00 0.00 C ATOM 0 H THR A 64 -2.104 4.299 -8.480 1.00 0.00 H new ATOM 0 HA THR A 64 -3.111 2.861 -6.233 1.00 0.00 H new ATOM 0 HB THR A 64 -5.114 2.715 -7.530 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.113 3.580 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.546 5.092 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.707 4.885 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.800 5.416 -7.948 1.00 0.00 H new ATOM 1026 N ILE A 65 -3.696 0.486 -7.287 1.00 0.00 N ATOM 1027 CA ILE A 65 -3.594 -0.933 -7.608 1.00 0.00 C ATOM 1028 C ILE A 65 -3.853 -1.182 -9.091 1.00 0.00 C ATOM 1029 O ILE A 65 -3.278 -2.092 -9.687 1.00 0.00 O ATOM 1030 CB ILE A 65 -4.585 -1.769 -6.771 1.00 0.00 C ATOM 1031 CG1 ILE A 65 -4.365 -3.264 -7.017 1.00 0.00 C ATOM 1032 CG2 ILE A 65 -6.020 -1.379 -7.094 1.00 0.00 C ATOM 1033 CD1 ILE A 65 -3.298 -3.871 -6.132 1.00 0.00 C ATOM 0 H ILE A 65 -4.498 0.731 -6.706 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.577 -1.242 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.404 -1.563 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.304 -3.793 -6.855 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.090 -3.416 -8.061 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.704 -1.979 -6.494 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.170 -0.323 -6.868 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.215 -1.555 -8.152 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.196 -4.932 -6.361 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.348 -3.368 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.581 -3.751 -5.086 1.00 0.00 H new ATOM 1045 N ASP A 66 -4.723 -0.368 -9.679 1.00 0.00 N ATOM 1046 CA ASP A 66 -5.059 -0.501 -11.092 1.00 0.00 C ATOM 1047 C ASP A 66 -4.004 0.166 -11.970 1.00 0.00 C ATOM 1048 O ASP A 66 -3.559 -0.404 -12.965 1.00 0.00 O ATOM 1049 CB ASP A 66 -6.433 0.112 -11.371 1.00 0.00 C ATOM 1050 CG ASP A 66 -7.549 -0.910 -11.285 1.00 0.00 C ATOM 1051 OD1 ASP A 66 -7.342 -2.056 -11.739 1.00 0.00 O ATOM 1052 OD2 ASP A 66 -8.631 -0.565 -10.767 1.00 0.00 O ATOM 0 H ASP A 66 -5.208 0.390 -9.199 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.086 -1.564 -11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.622 0.914 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.432 0.563 -12.363 1.00 0.00 H new ATOM 1057 N GLY A 67 -3.611 1.379 -11.595 1.00 0.00 N ATOM 1058 CA GLY A 67 -2.613 2.104 -12.358 1.00 0.00 C ATOM 1059 C GLY A 67 -3.212 3.247 -13.154 1.00 0.00 C ATOM 1060 O GLY A 67 -2.997 3.353 -14.362 1.00 0.00 O ATOM 0 H GLY A 67 -3.966 1.873 -10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.855 2.495 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.109 1.417 -13.037 1.00 0.00 H new ATOM 1064 N LEU A 68 -3.965 4.106 -12.475 1.00 0.00 N ATOM 1065 CA LEU A 68 -4.598 5.249 -13.124 1.00 0.00 C ATOM 1066 C LEU A 68 -4.106 6.559 -12.518 1.00 0.00 C ATOM 1067 O LEU A 68 -3.530 7.398 -13.212 1.00 0.00 O ATOM 1068 CB LEU A 68 -6.120 5.155 -12.996 1.00 0.00 C ATOM 1069 CG LEU A 68 -6.798 4.211 -13.991 1.00 0.00 C ATOM 1070 CD1 LEU A 68 -8.255 3.998 -13.615 1.00 0.00 C ATOM 1071 CD2 LEU A 68 -6.685 4.760 -15.405 1.00 0.00 C ATOM 0 H LEU A 68 -4.152 4.032 -11.475 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.327 5.233 -14.180 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.365 4.829 -11.985 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.542 6.152 -13.120 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.290 3.247 -13.954 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.721 3.324 -14.334 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.313 3.562 -12.618 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.777 4.955 -13.624 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.172 4.077 -16.101 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.168 5.736 -15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.633 4.862 -15.673 1.00 0.00 H new ATOM 1083 N LYS A 69 -4.337 6.728 -11.221 1.00 0.00 N ATOM 1084 CA LYS A 69 -3.918 7.936 -10.519 1.00 0.00 C ATOM 1085 C LYS A 69 -2.746 7.643 -9.588 1.00 0.00 C ATOM 1086 O LYS A 69 -2.442 6.485 -9.301 1.00 0.00 O ATOM 1087 CB LYS A 69 -5.088 8.519 -9.723 1.00 0.00 C ATOM 1088 CG LYS A 69 -5.610 9.832 -10.283 1.00 0.00 C ATOM 1089 CD LYS A 69 -6.030 10.784 -9.175 1.00 0.00 C ATOM 1090 CE LYS A 69 -4.956 11.823 -8.896 1.00 0.00 C ATOM 1091 NZ LYS A 69 -5.539 13.122 -8.460 1.00 0.00 N ATOM 0 H LYS A 69 -4.813 6.043 -10.634 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.594 8.666 -11.261 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.901 7.793 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.773 8.673 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.838 10.301 -10.893 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.459 9.637 -10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.957 11.284 -9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.235 10.218 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.282 11.450 -8.124 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.358 11.977 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.774 13.803 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.162 13.491 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.089 12.981 -7.589 1.00 0.00 H new ATOM 1105 N LYS A 70 -2.090 8.700 -9.119 1.00 0.00 N ATOM 1106 CA LYS A 70 -0.951 8.556 -8.219 1.00 0.00 C ATOM 1107 C LYS A 70 -1.251 9.179 -6.860 1.00 0.00 C ATOM 1108 O LYS A 70 -1.700 10.322 -6.776 1.00 0.00 O ATOM 1109 CB LYS A 70 0.293 9.203 -8.829 1.00 0.00 C ATOM 1110 CG LYS A 70 0.033 10.575 -9.429 1.00 0.00 C ATOM 1111 CD LYS A 70 1.302 11.177 -10.012 1.00 0.00 C ATOM 1112 CE LYS A 70 2.128 11.879 -8.944 1.00 0.00 C ATOM 1113 NZ LYS A 70 3.550 12.034 -9.354 1.00 0.00 N ATOM 0 H LYS A 70 -2.328 9.665 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.763 7.492 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.060 9.291 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.691 8.547 -9.603 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.725 10.495 -10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.367 11.239 -8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.898 10.392 -10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.042 11.887 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.700 12.861 -8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.078 11.311 -8.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.141 12.176 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.862 11.178 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.642 12.857 -9.984 1.00 0.00 H new ATOM 1127 N ILE A 71 -0.999 8.420 -5.798 1.00 0.00 N ATOM 1128 CA ILE A 71 -1.241 8.898 -4.442 1.00 0.00 C ATOM 1129 C ILE A 71 -0.156 9.874 -4.001 1.00 0.00 C ATOM 1130 O ILE A 71 1.025 9.529 -3.964 1.00 0.00 O ATOM 1131 CB ILE A 71 -1.305 7.732 -3.439 1.00 0.00 C ATOM 1132 CG1 ILE A 71 -2.226 6.628 -3.962 1.00 0.00 C ATOM 1133 CG2 ILE A 71 -1.779 8.228 -2.080 1.00 0.00 C ATOM 1134 CD1 ILE A 71 -3.666 7.064 -4.118 1.00 0.00 C ATOM 0 H ILE A 71 -0.627 7.472 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.203 9.410 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.304 7.317 -3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.853 6.282 -4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.184 5.778 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.819 7.392 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.086 8.981 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.772 8.666 -2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.260 6.230 -4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.056 7.382 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.721 7.894 -4.823 1.00 0.00 H new ATOM 1146 N SER A 72 -0.565 11.094 -3.667 1.00 0.00 N ATOM 1147 CA SER A 72 0.373 12.121 -3.229 1.00 0.00 C ATOM 1148 C SER A 72 0.196 12.421 -1.744 1.00 0.00 C ATOM 1149 O SER A 72 1.172 12.644 -1.025 1.00 0.00 O ATOM 1150 CB SER A 72 0.178 13.401 -4.045 1.00 0.00 C ATOM 1151 OG SER A 72 1.420 14.031 -4.309 1.00 0.00 O ATOM 0 H SER A 72 -1.539 11.395 -3.691 1.00 0.00 H new ATOM 0 HA SER A 72 1.384 11.746 -3.389 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.321 13.165 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.473 14.086 -3.502 1.00 0.00 H new ATOM 0 HG SER A 72 1.269 14.845 -4.833 1.00 0.00 H new ATOM 1157 N SER A 73 -1.053 12.427 -1.290 1.00 0.00 N ATOM 1158 CA SER A 73 -1.357 12.700 0.110 1.00 0.00 C ATOM 1159 C SER A 73 -2.042 11.504 0.763 1.00 0.00 C ATOM 1160 O SER A 73 -2.368 10.523 0.095 1.00 0.00 O ATOM 1161 CB SER A 73 -2.247 13.938 0.227 1.00 0.00 C ATOM 1162 OG SER A 73 -1.544 15.110 -0.150 1.00 0.00 O ATOM 0 H SER A 73 -1.871 12.246 -1.871 1.00 0.00 H new ATOM 0 HA SER A 73 -0.417 12.885 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.126 13.818 -0.406 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.603 14.038 1.252 1.00 0.00 H new ATOM 0 HG SER A 73 -2.136 15.887 -0.068 1.00 0.00 H new ATOM 1168 N LEU A 74 -2.255 11.593 2.071 1.00 0.00 N ATOM 1169 CA LEU A 74 -2.902 10.518 2.815 1.00 0.00 C ATOM 1170 C LEU A 74 -4.419 10.594 2.675 1.00 0.00 C ATOM 1171 O LEU A 74 -5.108 9.576 2.728 1.00 0.00 O ATOM 1172 CB LEU A 74 -2.510 10.585 4.293 1.00 0.00 C ATOM 1173 CG LEU A 74 -1.024 10.366 4.579 1.00 0.00 C ATOM 1174 CD1 LEU A 74 -0.675 10.844 5.980 1.00 0.00 C ATOM 1175 CD2 LEU A 74 -0.659 8.899 4.407 1.00 0.00 C ATOM 0 H LEU A 74 -1.989 12.398 2.638 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.565 9.569 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.800 11.559 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.084 9.837 4.840 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.445 10.950 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.386 10.680 6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.899 11.907 6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.262 10.288 6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.402 8.761 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.245 8.295 5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.872 8.589 3.384 1.00 0.00 H new ATOM 1187 N ASP A 75 -4.933 11.807 2.498 1.00 0.00 N ATOM 1188 CA ASP A 75 -6.370 12.015 2.351 1.00 0.00 C ATOM 1189 C ASP A 75 -6.915 11.232 1.161 1.00 0.00 C ATOM 1190 O ASP A 75 -8.048 10.749 1.191 1.00 0.00 O ATOM 1191 CB ASP A 75 -6.675 13.504 2.180 1.00 0.00 C ATOM 1192 CG ASP A 75 -8.152 13.812 2.332 1.00 0.00 C ATOM 1193 OD1 ASP A 75 -8.686 13.626 3.446 1.00 0.00 O ATOM 1194 OD2 ASP A 75 -8.775 14.241 1.337 1.00 0.00 O ATOM 0 H ASP A 75 -4.377 12.661 2.453 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.859 11.652 3.255 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.110 14.075 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.338 13.831 1.196 1.00 0.00 H new ATOM 1199 N GLN A 76 -6.103 11.110 0.117 1.00 0.00 N ATOM 1200 CA GLN A 76 -6.505 10.385 -1.082 1.00 0.00 C ATOM 1201 C GLN A 76 -6.731 8.907 -0.775 1.00 0.00 C ATOM 1202 O GLN A 76 -7.569 8.255 -1.397 1.00 0.00 O ATOM 1203 CB GLN A 76 -5.443 10.533 -2.174 1.00 0.00 C ATOM 1204 CG GLN A 76 -5.222 11.971 -2.615 1.00 0.00 C ATOM 1205 CD GLN A 76 -5.035 12.098 -4.114 1.00 0.00 C ATOM 1206 OE1 GLN A 76 -5.507 11.261 -4.883 1.00 0.00 O ATOM 1207 NE2 GLN A 76 -4.344 13.151 -4.536 1.00 0.00 N ATOM 0 H GLN A 76 -5.163 11.504 0.077 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.443 10.812 -1.436 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.500 10.124 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.737 9.937 -3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.074 12.577 -2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.345 12.372 -2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -3.971 13.820 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.186 13.291 -5.534 1.00 0.00 H new ATOM 1216 N LEU A 77 -5.977 8.388 0.189 1.00 0.00 N ATOM 1217 CA LEU A 77 -6.095 6.987 0.580 1.00 0.00 C ATOM 1218 C LEU A 77 -7.463 6.707 1.195 1.00 0.00 C ATOM 1219 O LEU A 77 -8.014 7.542 1.913 1.00 0.00 O ATOM 1220 CB LEU A 77 -4.993 6.618 1.573 1.00 0.00 C ATOM 1221 CG LEU A 77 -3.572 6.648 1.005 1.00 0.00 C ATOM 1222 CD1 LEU A 77 -2.548 6.545 2.124 1.00 0.00 C ATOM 1223 CD2 LEU A 77 -3.379 5.526 -0.003 1.00 0.00 C ATOM 0 H LEU A 77 -5.279 8.915 0.713 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.987 6.376 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.044 7.303 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.193 5.618 1.959 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.425 7.599 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.544 6.568 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.672 7.383 2.809 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.693 5.610 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.363 5.562 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.545 4.566 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.090 5.645 -0.821 1.00 0.00 H new ATOM 1235 N VAL A 78 -8.005 5.529 0.907 1.00 0.00 N ATOM 1236 CA VAL A 78 -9.308 5.138 1.432 1.00 0.00 C ATOM 1237 C VAL A 78 -9.195 3.905 2.321 1.00 0.00 C ATOM 1238 O VAL A 78 -8.234 3.141 2.222 1.00 0.00 O ATOM 1239 CB VAL A 78 -10.307 4.849 0.297 1.00 0.00 C ATOM 1240 CG1 VAL A 78 -11.707 4.641 0.856 1.00 0.00 C ATOM 1241 CG2 VAL A 78 -10.296 5.976 -0.725 1.00 0.00 C ATOM 0 H VAL A 78 -7.562 4.828 0.313 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.675 5.977 2.024 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.001 3.931 -0.205 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.399 4.438 0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.702 3.797 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.025 5.539 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.008 5.754 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.575 6.911 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.297 6.072 -1.150 1.00 0.00 H new ATOM 1251 N GLU A 79 -10.182 3.715 3.191 1.00 0.00 N ATOM 1252 CA GLU A 79 -10.193 2.574 4.098 1.00 0.00 C ATOM 1253 C GLU A 79 -10.469 1.279 3.343 1.00 0.00 C ATOM 1254 O GLU A 79 -11.602 1.013 2.940 1.00 0.00 O ATOM 1255 CB GLU A 79 -11.246 2.775 5.191 1.00 0.00 C ATOM 1256 CG GLU A 79 -11.002 1.932 6.432 1.00 0.00 C ATOM 1257 CD GLU A 79 -11.827 2.393 7.618 1.00 0.00 C ATOM 1258 OE1 GLU A 79 -13.065 2.239 7.576 1.00 0.00 O ATOM 1259 OE2 GLU A 79 -11.233 2.908 8.589 1.00 0.00 O ATOM 0 H GLU A 79 -10.985 4.337 3.287 1.00 0.00 H new ATOM 0 HA GLU A 79 -9.208 2.500 4.559 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -11.267 3.827 5.475 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.229 2.535 4.786 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -11.238 0.891 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.944 1.971 6.692 1.00 0.00 H new ATOM 1266 N GLY A 80 -9.427 0.477 3.154 1.00 0.00 N ATOM 1267 CA GLY A 80 -9.577 -0.782 2.447 1.00 0.00 C ATOM 1268 C GLY A 80 -9.246 -0.662 0.972 1.00 0.00 C ATOM 1269 O GLY A 80 -10.054 -1.024 0.117 1.00 0.00 O ATOM 0 H GLY A 80 -8.480 0.676 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.928 -1.530 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.601 -1.138 2.559 1.00 0.00 H new ATOM 1273 N GLU A 81 -8.056 -0.151 0.675 1.00 0.00 N ATOM 1274 CA GLU A 81 -7.620 0.015 -0.705 1.00 0.00 C ATOM 1275 C GLU A 81 -6.197 -0.501 -0.893 1.00 0.00 C ATOM 1276 O GLU A 81 -5.434 -0.611 0.066 1.00 0.00 O ATOM 1277 CB GLU A 81 -7.698 1.489 -1.112 1.00 0.00 C ATOM 1278 CG GLU A 81 -9.037 1.883 -1.713 1.00 0.00 C ATOM 1279 CD GLU A 81 -9.226 1.348 -3.120 1.00 0.00 C ATOM 1280 OE1 GLU A 81 -8.212 1.170 -3.828 1.00 0.00 O ATOM 1281 OE2 GLU A 81 -10.386 1.107 -3.512 1.00 0.00 O ATOM 0 H GLU A 81 -7.377 0.155 1.372 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.285 -0.568 -1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.505 2.110 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.909 1.701 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.840 1.512 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.119 2.970 -1.728 1.00 0.00 H new ATOM 1288 N SER A 82 -5.847 -0.819 -2.136 1.00 0.00 N ATOM 1289 CA SER A 82 -4.516 -1.325 -2.451 1.00 0.00 C ATOM 1290 C SER A 82 -3.773 -0.364 -3.373 1.00 0.00 C ATOM 1291 O SER A 82 -4.376 0.279 -4.232 1.00 0.00 O ATOM 1292 CB SER A 82 -4.614 -2.704 -3.105 1.00 0.00 C ATOM 1293 OG SER A 82 -5.447 -3.568 -2.353 1.00 0.00 O ATOM 0 H SER A 82 -6.467 -0.735 -2.941 1.00 0.00 H new ATOM 0 HA SER A 82 -3.957 -1.411 -1.519 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.008 -2.603 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.619 -3.139 -3.193 1.00 0.00 H new ATOM 0 HG SER A 82 -5.494 -4.442 -2.793 1.00 0.00 H new ATOM 1299 N TYR A 83 -2.460 -0.273 -3.189 1.00 0.00 N ATOM 1300 CA TYR A 83 -1.635 0.610 -4.005 1.00 0.00 C ATOM 1301 C TYR A 83 -0.256 0.001 -4.239 1.00 0.00 C ATOM 1302 O TYR A 83 0.180 -0.879 -3.496 1.00 0.00 O ATOM 1303 CB TYR A 83 -1.493 1.977 -3.334 1.00 0.00 C ATOM 1304 CG TYR A 83 -2.812 2.593 -2.928 1.00 0.00 C ATOM 1305 CD1 TYR A 83 -3.479 2.164 -1.788 1.00 0.00 C ATOM 1306 CD2 TYR A 83 -3.392 3.603 -3.686 1.00 0.00 C ATOM 1307 CE1 TYR A 83 -4.685 2.724 -1.414 1.00 0.00 C ATOM 1308 CE2 TYR A 83 -4.598 4.168 -3.318 1.00 0.00 C ATOM 1309 CZ TYR A 83 -5.241 3.725 -2.182 1.00 0.00 C ATOM 1310 OH TYR A 83 -6.443 4.285 -1.813 1.00 0.00 O ATOM 0 H TYR A 83 -1.945 -0.799 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 83 -2.127 0.737 -4.969 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -0.862 1.875 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -0.980 2.655 -4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.048 1.380 -1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.892 3.952 -4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.190 2.379 -0.524 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -5.035 4.953 -3.918 1.00 0.00 H new ATOM 0 HH TYR A 83 -6.694 4.976 -2.460 1.00 0.00 H new ATOM 1320 N VAL A 84 0.424 0.476 -5.277 1.00 0.00 N ATOM 1321 CA VAL A 84 1.753 -0.020 -5.610 1.00 0.00 C ATOM 1322 C VAL A 84 2.824 1.011 -5.268 1.00 0.00 C ATOM 1323 O VAL A 84 2.679 2.194 -5.571 1.00 0.00 O ATOM 1324 CB VAL A 84 1.862 -0.378 -7.105 1.00 0.00 C ATOM 1325 CG1 VAL A 84 3.180 -1.079 -7.393 1.00 0.00 C ATOM 1326 CG2 VAL A 84 0.685 -1.242 -7.532 1.00 0.00 C ATOM 0 H VAL A 84 0.076 1.204 -5.902 1.00 0.00 H new ATOM 0 HA VAL A 84 1.913 -0.920 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 84 1.836 0.545 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.238 -1.324 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.008 -0.422 -7.126 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.241 -1.995 -6.806 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.778 -1.486 -8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.678 -2.162 -6.947 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.245 -0.698 -7.365 1.00 0.00 H new ATOM 1336 N CYS A 85 3.898 0.552 -4.633 1.00 0.00 N ATOM 1337 CA CYS A 85 4.993 1.436 -4.249 1.00 0.00 C ATOM 1338 C CYS A 85 6.025 1.538 -5.368 1.00 0.00 C ATOM 1339 O CYS A 85 6.565 0.530 -5.823 1.00 0.00 O ATOM 1340 CB CYS A 85 5.660 0.930 -2.969 1.00 0.00 C ATOM 1341 SG CYS A 85 4.947 1.602 -1.450 1.00 0.00 S ATOM 0 H CYS A 85 4.033 -0.425 -4.374 1.00 0.00 H new ATOM 0 HA CYS A 85 4.580 2.428 -4.067 1.00 0.00 H new ATOM 0 HB2 CYS A 85 5.589 -0.157 -2.941 1.00 0.00 H new ATOM 0 HB3 CYS A 85 6.720 1.180 -3.001 1.00 0.00 H new ATOM 0 HG CYS A 85 5.902 1.945 -0.637 1.00 0.00 H new ATOM 1347 N GLY A 86 6.292 2.763 -5.809 1.00 0.00 N ATOM 1348 CA GLY A 86 7.257 2.974 -6.872 1.00 0.00 C ATOM 1349 C GLY A 86 8.355 3.943 -6.476 1.00 0.00 C ATOM 1350 O GLY A 86 8.305 4.543 -5.402 1.00 0.00 O ATOM 0 H GLY A 86 5.858 3.613 -5.449 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.703 2.018 -7.149 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.743 3.354 -7.755 1.00 0.00 H new ATOM 1354 N SER A 87 9.347 4.096 -7.347 1.00 0.00 N ATOM 1355 CA SER A 87 10.463 4.997 -7.083 1.00 0.00 C ATOM 1356 C SER A 87 10.865 5.750 -8.349 1.00 0.00 C ATOM 1357 O SER A 87 10.572 6.936 -8.496 1.00 0.00 O ATOM 1358 CB SER A 87 11.660 4.218 -6.538 1.00 0.00 C ATOM 1359 OG SER A 87 12.801 5.050 -6.423 1.00 0.00 O ATOM 0 H SER A 87 9.401 3.608 -8.241 1.00 0.00 H new ATOM 0 HA SER A 87 10.142 5.722 -6.336 1.00 0.00 H new ATOM 0 HB2 SER A 87 11.412 3.799 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 87 11.883 3.379 -7.198 1.00 0.00 H new ATOM 0 HG SER A 87 13.569 4.613 -6.847 1.00 0.00 H new ATOM 1365 N ILE A 88 11.537 5.051 -9.258 1.00 0.00 N ATOM 1366 CA ILE A 88 11.978 5.654 -10.510 1.00 0.00 C ATOM 1367 C ILE A 88 11.579 4.798 -11.706 1.00 0.00 C ATOM 1368 O ILE A 88 12.271 4.774 -12.724 1.00 0.00 O ATOM 1369 CB ILE A 88 13.505 5.860 -10.527 1.00 0.00 C ATOM 1370 CG1 ILE A 88 14.222 4.560 -10.163 1.00 0.00 C ATOM 1371 CG2 ILE A 88 13.900 6.974 -9.570 1.00 0.00 C ATOM 1372 CD1 ILE A 88 15.582 4.419 -10.810 1.00 0.00 C ATOM 0 H ILE A 88 11.788 4.068 -9.151 1.00 0.00 H new ATOM 0 HA ILE A 88 11.486 6.624 -10.582 1.00 0.00 H new ATOM 0 HB ILE A 88 13.806 6.149 -11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 88 14.337 4.509 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.599 3.716 -10.458 1.00 0.00 H new ATOM 0 HG21 ILE A 88 14.982 7.107 -9.593 1.00 0.00 H new ATOM 0 HG22 ILE A 88 13.413 7.902 -9.871 1.00 0.00 H new ATOM 0 HG23 ILE A 88 13.589 6.712 -8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 88 16.033 3.474 -10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 88 15.473 4.438 -11.894 1.00 0.00 H new ATOM 0 HD13 ILE A 88 16.222 5.243 -10.495 1.00 0.00 H new ATOM 1384 N GLU A 89 10.457 4.097 -11.578 1.00 0.00 N ATOM 1385 CA GLU A 89 9.963 3.240 -12.648 1.00 0.00 C ATOM 1386 C GLU A 89 8.461 3.432 -12.845 1.00 0.00 C ATOM 1387 O GLU A 89 7.758 3.864 -11.932 1.00 0.00 O ATOM 1388 CB GLU A 89 10.265 1.772 -12.340 1.00 0.00 C ATOM 1389 CG GLU A 89 9.878 1.354 -10.931 1.00 0.00 C ATOM 1390 CD GLU A 89 11.073 1.252 -10.003 1.00 0.00 C ATOM 1391 OE1 GLU A 89 12.056 0.576 -10.374 1.00 0.00 O ATOM 1392 OE2 GLU A 89 11.026 1.848 -8.908 1.00 0.00 O ATOM 0 H GLU A 89 9.872 4.106 -10.742 1.00 0.00 H new ATOM 0 HA GLU A 89 10.474 3.520 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.735 1.143 -13.055 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.330 1.591 -12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.168 2.074 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.369 0.391 -10.969 1.00 0.00 H new ATOM 1399 N PRO A 90 7.947 3.112 -14.045 1.00 0.00 N ATOM 1400 CA PRO A 90 6.520 3.254 -14.355 1.00 0.00 C ATOM 1401 C PRO A 90 5.659 2.269 -13.574 1.00 0.00 C ATOM 1402 O PRO A 90 6.140 1.594 -12.664 1.00 0.00 O ATOM 1403 CB PRO A 90 6.447 2.956 -15.855 1.00 0.00 C ATOM 1404 CG PRO A 90 7.643 2.114 -16.136 1.00 0.00 C ATOM 1405 CD PRO A 90 8.713 2.590 -15.193 1.00 0.00 C ATOM 0 HA PRO A 90 6.142 4.240 -14.086 1.00 0.00 H new ATOM 0 HB2 PRO A 90 5.526 2.432 -16.109 1.00 0.00 H new ATOM 0 HB3 PRO A 90 6.463 3.874 -16.442 1.00 0.00 H new ATOM 0 HG2 PRO A 90 7.424 1.058 -15.977 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.961 2.221 -17.173 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.378 1.779 -14.897 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.334 3.362 -15.647 1.00 0.00 H new ATOM 1413 N PHE A 91 4.383 2.189 -13.935 1.00 0.00 N ATOM 1414 CA PHE A 91 3.455 1.286 -13.266 1.00 0.00 C ATOM 1415 C PHE A 91 3.385 -0.056 -13.987 1.00 0.00 C ATOM 1416 O PHE A 91 3.175 -0.111 -15.199 1.00 0.00 O ATOM 1417 CB PHE A 91 2.061 1.914 -13.196 1.00 0.00 C ATOM 1418 CG PHE A 91 1.110 1.166 -12.305 1.00 0.00 C ATOM 1419 CD1 PHE A 91 1.167 1.314 -10.928 1.00 0.00 C ATOM 1420 CD2 PHE A 91 0.160 0.314 -12.845 1.00 0.00 C ATOM 1421 CE1 PHE A 91 0.294 0.628 -10.106 1.00 0.00 C ATOM 1422 CE2 PHE A 91 -0.717 -0.375 -12.028 1.00 0.00 C ATOM 1423 CZ PHE A 91 -0.650 -0.218 -10.657 1.00 0.00 C ATOM 0 H PHE A 91 3.968 2.739 -14.687 1.00 0.00 H new ATOM 0 HA PHE A 91 3.821 1.115 -12.254 1.00 0.00 H new ATOM 0 HB2 PHE A 91 2.151 2.940 -12.838 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.642 1.963 -14.201 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.903 1.974 -10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.104 0.187 -13.916 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.349 0.753 -9.035 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.454 -1.035 -12.461 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.334 -0.755 -10.017 1.00 0.00 H new ATOM 1433 N LYS A 92 3.565 -1.136 -13.234 1.00 0.00 N ATOM 1434 CA LYS A 92 3.523 -2.480 -13.801 1.00 0.00 C ATOM 1435 C LYS A 92 2.270 -3.222 -13.348 1.00 0.00 C ATOM 1436 O LYS A 92 1.993 -3.318 -12.152 1.00 0.00 O ATOM 1437 CB LYS A 92 4.772 -3.264 -13.397 1.00 0.00 C ATOM 1438 CG LYS A 92 6.069 -2.626 -13.865 1.00 0.00 C ATOM 1439 CD LYS A 92 7.234 -3.002 -12.965 1.00 0.00 C ATOM 1440 CE LYS A 92 8.506 -2.271 -13.364 1.00 0.00 C ATOM 1441 NZ LYS A 92 9.319 -1.880 -12.179 1.00 0.00 N ATOM 0 H LYS A 92 3.741 -1.107 -12.230 1.00 0.00 H new ATOM 0 HA LYS A 92 3.496 -2.390 -14.887 1.00 0.00 H new ATOM 0 HB2 LYS A 92 4.795 -3.360 -12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 92 4.705 -4.273 -13.805 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.282 -2.940 -14.887 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.957 -1.542 -13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.987 -2.765 -11.930 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.401 -4.078 -13.015 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.101 -2.909 -14.018 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.248 -1.380 -13.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.925 -1.072 -12.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.687 -1.614 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.913 -2.682 -11.886 1.00 0.00 H new ATOM 1455 N LYS A 93 1.516 -3.746 -14.309 1.00 0.00 N ATOM 1456 CA LYS A 93 0.291 -4.479 -14.007 1.00 0.00 C ATOM 1457 C LYS A 93 0.599 -5.932 -13.660 1.00 0.00 C ATOM 1458 O LYS A 93 0.902 -6.740 -14.538 1.00 0.00 O ATOM 1459 CB LYS A 93 -0.672 -4.418 -15.194 1.00 0.00 C ATOM 1460 CG LYS A 93 -2.125 -4.223 -14.790 1.00 0.00 C ATOM 1461 CD LYS A 93 -2.997 -5.376 -15.259 1.00 0.00 C ATOM 1462 CE LYS A 93 -3.587 -5.105 -16.634 1.00 0.00 C ATOM 1463 NZ LYS A 93 -4.256 -3.776 -16.701 1.00 0.00 N ATOM 0 H LYS A 93 1.731 -3.677 -15.304 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.180 -4.010 -13.143 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.374 -3.601 -15.851 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.584 -5.339 -15.770 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.193 -4.133 -13.706 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.498 -3.289 -15.211 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.406 -6.291 -15.289 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.802 -5.540 -14.542 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.797 -5.151 -17.383 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.306 -5.886 -16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -5.046 -3.819 -17.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.618 -3.522 -15.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.572 -3.058 -17.014 1.00 0.00 H new ATOM 1477 N LEU A 94 0.518 -6.258 -12.373 1.00 0.00 N ATOM 1478 CA LEU A 94 0.787 -7.614 -11.909 1.00 0.00 C ATOM 1479 C LEU A 94 -0.286 -8.075 -10.928 1.00 0.00 C ATOM 1480 O LEU A 94 -0.883 -7.265 -10.219 1.00 0.00 O ATOM 1481 CB LEU A 94 2.164 -7.685 -11.248 1.00 0.00 C ATOM 1482 CG LEU A 94 3.350 -7.561 -12.206 1.00 0.00 C ATOM 1483 CD1 LEU A 94 4.634 -7.298 -11.435 1.00 0.00 C ATOM 1484 CD2 LEU A 94 3.482 -8.817 -13.054 1.00 0.00 C ATOM 0 H LEU A 94 0.268 -5.601 -11.634 1.00 0.00 H new ATOM 0 HA LEU A 94 0.773 -8.278 -12.774 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.234 -6.892 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.245 -8.632 -10.714 1.00 0.00 H new ATOM 0 HG LEU A 94 3.170 -6.715 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.467 -7.213 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.536 -6.370 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.821 -8.122 -10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.331 -8.712 -13.730 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.639 -9.679 -12.406 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.571 -8.961 -13.635 1.00 0.00 H new ATOM 1496 N GLU A 95 -0.529 -9.382 -10.895 1.00 0.00 N ATOM 1497 CA GLU A 95 -1.530 -9.951 -10.002 1.00 0.00 C ATOM 1498 C GLU A 95 -1.100 -9.819 -8.545 1.00 0.00 C ATOM 1499 O GLU A 95 -0.434 -10.700 -8.002 1.00 0.00 O ATOM 1500 CB GLU A 95 -1.770 -11.423 -10.343 1.00 0.00 C ATOM 1501 CG GLU A 95 -2.862 -11.638 -11.378 1.00 0.00 C ATOM 1502 CD GLU A 95 -2.311 -11.812 -12.780 1.00 0.00 C ATOM 1503 OE1 GLU A 95 -1.304 -12.535 -12.936 1.00 0.00 O ATOM 1504 OE2 GLU A 95 -2.886 -11.226 -13.721 1.00 0.00 O ATOM 0 H GLU A 95 -0.046 -10.066 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.458 -9.396 -10.139 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.841 -11.858 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.034 -11.960 -9.432 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.444 -12.519 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -3.544 -10.788 -11.363 1.00 0.00 H new ATOM 1511 N TYR A 96 -1.485 -8.712 -7.917 1.00 0.00 N ATOM 1512 CA TYR A 96 -1.139 -8.466 -6.521 1.00 0.00 C ATOM 1513 C TYR A 96 -2.209 -9.025 -5.590 1.00 0.00 C ATOM 1514 O TYR A 96 -1.920 -9.839 -4.712 1.00 0.00 O ATOM 1515 CB TYR A 96 -0.966 -6.966 -6.275 1.00 0.00 C ATOM 1516 CG TYR A 96 0.094 -6.327 -7.144 1.00 0.00 C ATOM 1517 CD1 TYR A 96 1.401 -6.797 -7.138 1.00 0.00 C ATOM 1518 CD2 TYR A 96 -0.214 -5.253 -7.970 1.00 0.00 C ATOM 1519 CE1 TYR A 96 2.372 -6.215 -7.930 1.00 0.00 C ATOM 1520 CE2 TYR A 96 0.751 -4.666 -8.767 1.00 0.00 C ATOM 1521 CZ TYR A 96 2.042 -5.151 -8.743 1.00 0.00 C ATOM 1522 OH TYR A 96 3.007 -4.569 -9.533 1.00 0.00 O ATOM 0 H TYR A 96 -2.036 -7.972 -8.352 1.00 0.00 H new ATOM 0 HA TYR A 96 -0.198 -8.973 -6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -1.918 -6.466 -6.451 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -0.710 -6.805 -5.228 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.663 -7.631 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.224 -4.871 -7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 96 3.384 -6.591 -7.913 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.496 -3.833 -9.405 1.00 0.00 H new ATOM 0 HH TYR A 96 2.591 -4.201 -10.340 1.00 0.00 H new ATOM 1532 N THR A 97 -3.447 -8.584 -5.789 1.00 0.00 N ATOM 1533 CA THR A 97 -4.563 -9.039 -4.967 1.00 0.00 C ATOM 1534 C THR A 97 -4.934 -10.484 -5.294 1.00 0.00 C ATOM 1535 O THR A 97 -5.550 -11.175 -4.482 1.00 0.00 O ATOM 1536 CB THR A 97 -5.776 -8.132 -5.172 1.00 0.00 C ATOM 1537 OG1 THR A 97 -6.183 -8.135 -6.529 1.00 0.00 O ATOM 1538 CG2 THR A 97 -5.521 -6.694 -4.772 1.00 0.00 C ATOM 0 H THR A 97 -3.703 -7.912 -6.512 1.00 0.00 H new ATOM 0 HA THR A 97 -4.252 -8.992 -3.923 1.00 0.00 H new ATOM 0 HB THR A 97 -6.554 -8.540 -4.527 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.961 -7.550 -6.638 1.00 0.00 H new ATOM 0 HG21 THR A 97 -6.421 -6.104 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.254 -6.652 -3.716 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.704 -6.290 -5.369 1.00 0.00 H new ATOM 1546 N LYS A 98 -4.559 -10.937 -6.489 1.00 0.00 N ATOM 1547 CA LYS A 98 -4.857 -12.299 -6.920 1.00 0.00 C ATOM 1548 C LYS A 98 -4.370 -13.319 -5.893 1.00 0.00 C ATOM 1549 O LYS A 98 -4.956 -14.391 -5.743 1.00 0.00 O ATOM 1550 CB LYS A 98 -4.211 -12.578 -8.279 1.00 0.00 C ATOM 1551 CG LYS A 98 -5.089 -13.396 -9.213 1.00 0.00 C ATOM 1552 CD LYS A 98 -4.383 -14.657 -9.687 1.00 0.00 C ATOM 1553 CE LYS A 98 -5.377 -15.712 -10.144 1.00 0.00 C ATOM 1554 NZ LYS A 98 -6.115 -16.314 -8.999 1.00 0.00 N ATOM 0 H LYS A 98 -4.049 -10.380 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.939 -12.394 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.969 -11.630 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.270 -13.106 -8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.012 -13.666 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.368 -12.789 -10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.708 -14.411 -10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.770 -15.058 -8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.088 -15.264 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.850 -16.496 -10.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.544 -17.213 -9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.455 -16.489 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.861 -15.661 -8.685 1.00 0.00 H new ATOM 1568 N ASN A 99 -3.295 -12.978 -5.189 1.00 0.00 N ATOM 1569 CA ASN A 99 -2.732 -13.863 -4.177 1.00 0.00 C ATOM 1570 C ASN A 99 -3.005 -13.330 -2.773 1.00 0.00 C ATOM 1571 O ASN A 99 -2.247 -13.594 -1.840 1.00 0.00 O ATOM 1572 CB ASN A 99 -1.226 -14.024 -4.389 1.00 0.00 C ATOM 1573 CG ASN A 99 -0.519 -12.692 -4.543 1.00 0.00 C ATOM 1574 OD1 ASN A 99 -0.393 -11.928 -3.587 1.00 0.00 O ATOM 1575 ND2 ASN A 99 -0.051 -12.406 -5.753 1.00 0.00 N ATOM 0 H ASN A 99 -2.797 -12.095 -5.301 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.212 -14.837 -4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.798 -14.564 -3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.050 -14.631 -5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.435 -11.524 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.177 -13.068 -6.518 1.00 0.00 H new ATOM 1582 N VAL A 100 -4.092 -12.577 -2.630 1.00 0.00 N ATOM 1583 CA VAL A 100 -4.465 -12.008 -1.341 1.00 0.00 C ATOM 1584 C VAL A 100 -5.927 -12.296 -1.017 1.00 0.00 C ATOM 1585 O VAL A 100 -6.807 -12.113 -1.858 1.00 0.00 O ATOM 1586 CB VAL A 100 -4.236 -10.484 -1.310 1.00 0.00 C ATOM 1587 CG1 VAL A 100 -4.518 -9.925 0.077 1.00 0.00 C ATOM 1588 CG2 VAL A 100 -2.817 -10.148 -1.747 1.00 0.00 C ATOM 0 H VAL A 100 -4.730 -12.347 -3.392 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.828 -12.479 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.930 -10.019 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.350 -8.848 0.076 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.553 -10.131 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.853 -10.395 0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.674 -9.068 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.106 -10.626 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.654 -10.509 -2.762 1.00 0.00 H new ATOM 1598 N ASN A 101 -6.180 -12.746 0.208 1.00 0.00 N ATOM 1599 CA ASN A 101 -7.536 -13.057 0.641 1.00 0.00 C ATOM 1600 C ASN A 101 -8.277 -11.786 1.054 1.00 0.00 C ATOM 1601 O ASN A 101 -7.758 -10.981 1.828 1.00 0.00 O ATOM 1602 CB ASN A 101 -7.506 -14.045 1.809 1.00 0.00 C ATOM 1603 CG ASN A 101 -8.634 -15.057 1.739 1.00 0.00 C ATOM 1604 OD1 ASN A 101 -9.809 -14.701 1.829 1.00 0.00 O ATOM 1605 ND2 ASN A 101 -8.281 -16.326 1.579 1.00 0.00 N ATOM 0 H ASN A 101 -5.464 -12.903 0.917 1.00 0.00 H new ATOM 0 HA ASN A 101 -8.065 -13.511 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -6.551 -14.570 1.813 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.572 -13.496 2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.996 -17.051 1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.295 -16.576 1.509 1.00 0.00 H new ATOM 1612 N PRO A 102 -9.505 -11.582 0.542 1.00 0.00 N ATOM 1613 CA PRO A 102 -10.307 -10.399 0.868 1.00 0.00 C ATOM 1614 C PRO A 102 -10.767 -10.393 2.321 1.00 0.00 C ATOM 1615 O PRO A 102 -10.461 -11.311 3.083 1.00 0.00 O ATOM 1616 CB PRO A 102 -11.509 -10.509 -0.073 1.00 0.00 C ATOM 1617 CG PRO A 102 -11.615 -11.960 -0.386 1.00 0.00 C ATOM 1618 CD PRO A 102 -10.207 -12.485 -0.389 1.00 0.00 C ATOM 0 HA PRO A 102 -9.738 -9.477 0.746 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -12.418 -10.139 0.401 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -11.359 -9.919 -0.977 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -12.223 -12.476 0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -12.092 -12.117 -1.353 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.164 -13.521 -0.054 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.769 -12.454 -1.386 1.00 0.00 H new ATOM 1626 N ASN A 103 -11.501 -9.352 2.700 1.00 0.00 N ATOM 1627 CA ASN A 103 -12.004 -9.224 4.064 1.00 0.00 C ATOM 1628 C ASN A 103 -10.855 -9.079 5.056 1.00 0.00 C ATOM 1629 O ASN A 103 -10.825 -9.746 6.091 1.00 0.00 O ATOM 1630 CB ASN A 103 -12.863 -10.438 4.429 1.00 0.00 C ATOM 1631 CG ASN A 103 -13.556 -10.274 5.768 1.00 0.00 C ATOM 1632 OD1 ASN A 103 -14.508 -9.505 5.897 1.00 0.00 O ATOM 1633 ND2 ASN A 103 -13.080 -10.999 6.774 1.00 0.00 N ATOM 0 H ASN A 103 -11.761 -8.584 2.081 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.619 -8.325 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.611 -10.597 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.236 -11.329 4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.506 -10.931 7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -12.289 -11.624 6.622 1.00 0.00 H new ATOM 1640 N TRP A 104 -9.910 -8.202 4.733 1.00 0.00 N ATOM 1641 CA TRP A 104 -8.758 -7.966 5.597 1.00 0.00 C ATOM 1642 C TRP A 104 -8.871 -6.618 6.300 1.00 0.00 C ATOM 1643 O TRP A 104 -8.399 -6.452 7.425 1.00 0.00 O ATOM 1644 CB TRP A 104 -7.464 -8.023 4.782 1.00 0.00 C ATOM 1645 CG TRP A 104 -7.467 -7.105 3.599 1.00 0.00 C ATOM 1646 CD1 TRP A 104 -7.998 -7.359 2.367 1.00 0.00 C ATOM 1647 CD2 TRP A 104 -6.913 -5.787 3.533 1.00 0.00 C ATOM 1648 NE1 TRP A 104 -7.808 -6.278 1.540 1.00 0.00 N ATOM 1649 CE2 TRP A 104 -7.144 -5.300 2.233 1.00 0.00 C ATOM 1650 CE3 TRP A 104 -6.244 -4.969 4.449 1.00 0.00 C ATOM 1651 CZ2 TRP A 104 -6.728 -4.034 1.826 1.00 0.00 C ATOM 1652 CZ3 TRP A 104 -5.832 -3.713 4.044 1.00 0.00 C ATOM 1653 CH2 TRP A 104 -6.076 -3.256 2.743 1.00 0.00 C ATOM 0 H TRP A 104 -9.919 -7.643 3.880 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.737 -8.749 6.355 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -6.624 -7.768 5.429 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -7.304 -9.045 4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -8.495 -8.275 2.084 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -8.112 -6.214 0.568 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -6.053 -5.312 5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.914 -3.680 0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -5.313 -3.073 4.743 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -5.743 -2.269 2.458 1.00 0.00 H new ATOM 1664 N SER A 105 -9.500 -5.658 5.631 1.00 0.00 N ATOM 1665 CA SER A 105 -9.675 -4.323 6.192 1.00 0.00 C ATOM 1666 C SER A 105 -11.129 -4.086 6.586 1.00 0.00 C ATOM 1667 O SER A 105 -11.645 -2.975 6.454 1.00 0.00 O ATOM 1668 CB SER A 105 -9.228 -3.262 5.185 1.00 0.00 C ATOM 1669 OG SER A 105 -8.568 -2.189 5.834 1.00 0.00 O ATOM 0 H SER A 105 -9.897 -5.779 4.699 1.00 0.00 H new ATOM 0 HA SER A 105 -9.058 -4.248 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.561 -3.712 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.094 -2.885 4.641 1.00 0.00 H new ATOM 0 HG SER A 105 -7.955 -1.754 5.205 1.00 0.00 H new