USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 483 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 Single : A 12 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.9!) USER MOD Single : A 13 THR OG1 : rot -150:sc= 0.0573 USER MOD Single : A 14 LYS NZ :NH3+ 160:sc= 0.95 (180deg=0.39) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -3.57! C(o=-3.6!,f=-5.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0583) USER MOD Single : A 32 SER OG : rot 12:sc= 0.164! USER MOD Single : A 33 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.6!) USER MOD Single : A 35 SER OG : rot -170:sc= -0.217 USER MOD Single : A 38 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.14) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -125:sc= -0.372 (180deg=-1.04) USER MOD Single : A 45 ASN : amide:sc= -0.67 K(o=-0.67,f=-0.084) USER MOD Single : A 49 TYR OH : rot -39:sc= -4.9! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= 1.6 (180deg=1.36!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.593 K(o=-0.59,f=-0.02) USER MOD Single : A 63 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : A 65 TYR OH : rot 33:sc= 0.404 USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= 0.654 (180deg=0.105) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.335 0.217 -1.083 1.00 0.00 N ATOM 138 CA TRP A 11 13.024 1.582 -1.595 1.00 0.00 C ATOM 139 C TRP A 11 14.081 2.588 -1.136 1.00 0.00 C ATOM 140 O TRP A 11 14.479 2.610 0.012 1.00 0.00 O ATOM 141 CB TRP A 11 11.657 1.919 -1.001 1.00 0.00 C ATOM 142 CG TRP A 11 10.592 1.258 -1.813 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.972 1.817 -2.876 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.018 -0.072 -1.657 1.00 0.00 C ATOM 145 NE1 TRP A 11 9.049 0.919 -3.379 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.041 -0.260 -2.663 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.245 -1.124 -0.750 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.314 -1.446 -2.765 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.517 -2.320 -0.854 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.554 -2.480 -1.857 1.00 0.00 C ATOM 0 HA TRP A 11 13.019 1.622 -2.684 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.604 1.582 0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.507 2.999 -0.992 1.00 0.00 H new ATOM 0 HD1 TRP A 11 10.166 2.804 -3.268 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.448 1.105 -4.181 1.00 0.00 H new ATOM 0 HE3 TRP A 11 10.983 -1.011 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.571 -1.564 -3.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 9.701 -3.122 -0.155 1.00 0.00 H new ATOM 0 HH2 TRP A 11 7.997 -3.402 -1.929 1.00 0.00 H new ATOM 161 N ASN A 12 14.536 3.422 -2.032 1.00 0.00 N ATOM 162 CA ASN A 12 15.566 4.434 -1.662 1.00 0.00 C ATOM 163 C ASN A 12 14.908 5.796 -1.431 1.00 0.00 C ATOM 164 O ASN A 12 15.206 6.488 -0.478 1.00 0.00 O ATOM 165 CB ASN A 12 16.508 4.492 -2.865 1.00 0.00 C ATOM 166 CG ASN A 12 17.613 3.446 -2.701 1.00 0.00 C ATOM 167 OD1 ASN A 12 18.000 3.123 -1.596 1.00 0.00 O ATOM 168 ND2 ASN A 12 18.141 2.900 -3.763 1.00 0.00 N ATOM 0 H ASN A 12 14.238 3.446 -3.007 1.00 0.00 H new ATOM 0 HA ASN A 12 16.091 4.175 -0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.952 4.308 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.945 5.487 -2.950 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.878 2.202 -3.665 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.816 3.171 -4.691 1.00 0.00 H new ATOM 175 N THR A 13 14.014 6.185 -2.298 1.00 0.00 N ATOM 176 CA THR A 13 13.334 7.503 -2.131 1.00 0.00 C ATOM 177 C THR A 13 11.954 7.309 -1.497 1.00 0.00 C ATOM 178 O THR A 13 11.355 6.257 -1.601 1.00 0.00 O ATOM 179 CB THR A 13 13.196 8.062 -3.548 1.00 0.00 C ATOM 180 OG1 THR A 13 13.044 6.988 -4.466 1.00 0.00 O ATOM 181 CG2 THR A 13 14.445 8.868 -3.905 1.00 0.00 C ATOM 0 H THR A 13 13.724 5.648 -3.115 1.00 0.00 H new ATOM 0 HA THR A 13 13.893 8.175 -1.480 1.00 0.00 H new ATOM 0 HB THR A 13 12.322 8.711 -3.599 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.413 7.247 -5.336 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.345 9.266 -4.915 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.560 9.692 -3.200 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.322 8.222 -3.854 1.00 0.00 H new ATOM 189 N LYS A 14 11.445 8.315 -0.841 1.00 0.00 N ATOM 190 CA LYS A 14 10.104 8.186 -0.202 1.00 0.00 C ATOM 191 C LYS A 14 9.014 8.078 -1.272 1.00 0.00 C ATOM 192 O LYS A 14 7.989 7.459 -1.065 1.00 0.00 O ATOM 193 CB LYS A 14 9.931 9.467 0.614 1.00 0.00 C ATOM 194 CG LYS A 14 8.516 9.515 1.192 1.00 0.00 C ATOM 195 CD LYS A 14 8.539 9.011 2.635 1.00 0.00 C ATOM 196 CE LYS A 14 7.736 7.712 2.734 1.00 0.00 C ATOM 197 NZ LYS A 14 7.822 7.315 4.167 1.00 0.00 N ATOM 0 H LYS A 14 11.899 9.220 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 14 10.026 7.293 0.418 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.666 9.500 1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.108 10.339 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.132 10.534 1.157 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.845 8.901 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.567 8.841 2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.117 9.764 3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.701 7.863 2.428 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.151 6.941 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.050 6.655 4.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.736 6.852 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.740 8.161 4.767 1.00 0.00 H new ATOM 211 N GLU A 15 9.225 8.674 -2.414 1.00 0.00 N ATOM 212 CA GLU A 15 8.196 8.601 -3.493 1.00 0.00 C ATOM 213 C GLU A 15 8.039 7.158 -3.977 1.00 0.00 C ATOM 214 O GLU A 15 6.943 6.660 -4.131 1.00 0.00 O ATOM 215 CB GLU A 15 8.734 9.488 -4.619 1.00 0.00 C ATOM 216 CG GLU A 15 7.991 9.171 -5.920 1.00 0.00 C ATOM 217 CD GLU A 15 6.486 9.343 -5.705 1.00 0.00 C ATOM 218 OE1 GLU A 15 6.115 10.209 -4.929 1.00 0.00 O ATOM 219 OE2 GLU A 15 5.732 8.609 -6.320 1.00 0.00 O ATOM 0 H GLU A 15 10.063 9.207 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 15 7.215 8.930 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.605 10.539 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.803 9.321 -4.749 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.333 9.832 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.209 8.151 -6.236 1.00 0.00 H new ATOM 226 N GLU A 16 9.128 6.489 -4.218 1.00 0.00 N ATOM 227 CA GLU A 16 9.049 5.080 -4.696 1.00 0.00 C ATOM 228 C GLU A 16 8.341 4.207 -3.659 1.00 0.00 C ATOM 229 O GLU A 16 7.502 3.391 -3.991 1.00 0.00 O ATOM 230 CB GLU A 16 10.503 4.642 -4.873 1.00 0.00 C ATOM 231 CG GLU A 16 11.067 5.259 -6.156 1.00 0.00 C ATOM 232 CD GLU A 16 12.394 4.584 -6.510 1.00 0.00 C ATOM 233 OE1 GLU A 16 12.616 3.477 -6.047 1.00 0.00 O ATOM 234 OE2 GLU A 16 13.166 5.186 -7.238 1.00 0.00 O ATOM 0 H GLU A 16 10.073 6.856 -4.105 1.00 0.00 H new ATOM 0 HA GLU A 16 8.482 4.987 -5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.096 4.956 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.564 3.555 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.356 5.137 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.217 6.330 -6.021 1.00 0.00 H new ATOM 241 N ALA A 17 8.668 4.370 -2.410 1.00 0.00 N ATOM 242 CA ALA A 17 8.011 3.546 -1.355 1.00 0.00 C ATOM 243 C ALA A 17 6.503 3.812 -1.343 1.00 0.00 C ATOM 244 O ALA A 17 5.698 2.898 -1.327 1.00 0.00 O ATOM 245 CB ALA A 17 8.649 3.999 -0.041 1.00 0.00 C ATOM 0 H ALA A 17 9.361 5.037 -2.072 1.00 0.00 H new ATOM 0 HA ALA A 17 8.144 2.477 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.216 3.437 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.724 3.821 -0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.462 5.063 0.106 1.00 0.00 H new ATOM 251 N LYS A 18 6.109 5.058 -1.368 1.00 0.00 N ATOM 252 CA LYS A 18 4.654 5.376 -1.372 1.00 0.00 C ATOM 253 C LYS A 18 4.026 4.886 -2.674 1.00 0.00 C ATOM 254 O LYS A 18 2.913 4.401 -2.697 1.00 0.00 O ATOM 255 CB LYS A 18 4.576 6.900 -1.279 1.00 0.00 C ATOM 256 CG LYS A 18 3.288 7.302 -0.562 1.00 0.00 C ATOM 257 CD LYS A 18 3.610 8.290 0.561 1.00 0.00 C ATOM 258 CE LYS A 18 2.619 9.455 0.518 1.00 0.00 C ATOM 259 NZ LYS A 18 2.668 10.053 1.881 1.00 0.00 N ATOM 0 H LYS A 18 6.731 5.866 -1.386 1.00 0.00 H new ATOM 0 HA LYS A 18 4.120 4.896 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.441 7.287 -0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.601 7.338 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.593 7.754 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.797 6.419 -0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.556 7.788 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.629 8.662 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.899 10.183 -0.243 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.614 9.110 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.013 10.860 1.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.390 9.339 2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.635 10.379 2.083 1.00 0.00 H new ATOM 273 N GLN A 19 4.740 5.005 -3.758 1.00 0.00 N ATOM 274 CA GLN A 19 4.193 4.540 -5.063 1.00 0.00 C ATOM 275 C GLN A 19 4.045 3.017 -5.052 1.00 0.00 C ATOM 276 O GLN A 19 3.096 2.474 -5.581 1.00 0.00 O ATOM 277 CB GLN A 19 5.224 4.975 -6.106 1.00 0.00 C ATOM 278 CG GLN A 19 4.728 4.593 -7.501 1.00 0.00 C ATOM 279 CD GLN A 19 5.068 3.128 -7.777 1.00 0.00 C ATOM 280 OE1 GLN A 19 4.194 2.330 -8.048 1.00 0.00 O ATOM 281 NE2 GLN A 19 6.312 2.739 -7.714 1.00 0.00 N ATOM 0 H GLN A 19 5.678 5.404 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 19 3.208 4.956 -5.273 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.385 6.051 -6.047 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.183 4.498 -5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.651 4.747 -7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.191 5.233 -8.252 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.045 3.410 -7.486 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.551 1.764 -7.893 1.00 0.00 H new ATOM 290 N ALA A 20 4.974 2.322 -4.449 1.00 0.00 N ATOM 291 CA ALA A 20 4.871 0.835 -4.405 1.00 0.00 C ATOM 292 C ALA A 20 3.696 0.428 -3.516 1.00 0.00 C ATOM 293 O ALA A 20 3.011 -0.541 -3.779 1.00 0.00 O ATOM 294 CB ALA A 20 6.195 0.352 -3.809 1.00 0.00 C ATOM 0 H ALA A 20 5.794 2.717 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 20 4.698 0.401 -5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.190 -0.736 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.020 0.675 -4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.320 0.772 -2.811 1.00 0.00 H new ATOM 300 N PHE A 21 3.453 1.167 -2.469 1.00 0.00 N ATOM 301 CA PHE A 21 2.314 0.828 -1.568 1.00 0.00 C ATOM 302 C PHE A 21 0.996 1.052 -2.316 1.00 0.00 C ATOM 303 O PHE A 21 0.093 0.237 -2.267 1.00 0.00 O ATOM 304 CB PHE A 21 2.443 1.793 -0.388 1.00 0.00 C ATOM 305 CG PHE A 21 1.927 1.139 0.874 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.673 0.124 1.488 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.713 1.553 1.438 1.00 0.00 C ATOM 308 CE1 PHE A 21 2.203 -0.478 2.662 1.00 0.00 C ATOM 309 CE2 PHE A 21 0.245 0.951 2.614 1.00 0.00 C ATOM 310 CZ PHE A 21 0.990 -0.064 3.224 1.00 0.00 C ATOM 0 H PHE A 21 3.992 1.989 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 21 2.327 -0.210 -1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.486 2.083 -0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.882 2.705 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.610 -0.194 1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 21 0.138 2.336 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.777 -1.262 3.134 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.690 1.271 3.049 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.629 -0.529 4.130 1.00 0.00 H new ATOM 320 N LYS A 22 0.885 2.145 -3.023 1.00 0.00 N ATOM 321 CA LYS A 22 -0.365 2.408 -3.789 1.00 0.00 C ATOM 322 C LYS A 22 -0.470 1.408 -4.937 1.00 0.00 C ATOM 323 O LYS A 22 -1.500 0.800 -5.154 1.00 0.00 O ATOM 324 CB LYS A 22 -0.219 3.832 -4.319 1.00 0.00 C ATOM 325 CG LYS A 22 -0.645 4.821 -3.234 1.00 0.00 C ATOM 326 CD LYS A 22 -0.473 6.250 -3.748 1.00 0.00 C ATOM 327 CE LYS A 22 -0.274 7.199 -2.563 1.00 0.00 C ATOM 328 NZ LYS A 22 -1.005 8.449 -2.927 1.00 0.00 N ATOM 0 H LYS A 22 1.604 2.864 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.264 2.303 -3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.814 4.019 -4.612 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.833 3.965 -5.210 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.684 4.646 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.045 4.672 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.384 6.305 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.349 6.549 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.669 6.767 -1.643 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.784 7.398 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.910 9.143 -2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.604 8.844 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.011 8.232 -3.075 1.00 0.00 H new ATOM 342 N GLU A 23 0.598 1.212 -5.662 1.00 0.00 N ATOM 343 CA GLU A 23 0.557 0.227 -6.777 1.00 0.00 C ATOM 344 C GLU A 23 0.205 -1.141 -6.196 1.00 0.00 C ATOM 345 O GLU A 23 -0.491 -1.931 -6.801 1.00 0.00 O ATOM 346 CB GLU A 23 1.971 0.226 -7.361 1.00 0.00 C ATOM 347 CG GLU A 23 1.968 -0.500 -8.708 1.00 0.00 C ATOM 348 CD GLU A 23 1.436 0.439 -9.793 1.00 0.00 C ATOM 349 OE1 GLU A 23 2.015 1.498 -9.968 1.00 0.00 O ATOM 350 OE2 GLU A 23 0.459 0.081 -10.431 1.00 0.00 O ATOM 0 H GLU A 23 1.490 1.688 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.181 0.467 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.324 1.249 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.659 -0.265 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.977 -0.828 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.347 -1.394 -8.650 1.00 0.00 H new ATOM 357 N LEU A 24 0.672 -1.409 -5.007 1.00 0.00 N ATOM 358 CA LEU A 24 0.364 -2.705 -4.348 1.00 0.00 C ATOM 359 C LEU A 24 -1.148 -2.832 -4.141 1.00 0.00 C ATOM 360 O LEU A 24 -1.749 -3.829 -4.486 1.00 0.00 O ATOM 361 CB LEU A 24 1.108 -2.616 -3.017 1.00 0.00 C ATOM 362 CG LEU A 24 0.724 -3.777 -2.106 1.00 0.00 C ATOM 363 CD1 LEU A 24 1.009 -5.094 -2.821 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.560 -3.700 -0.820 1.00 0.00 C ATOM 0 H LEU A 24 1.259 -0.778 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 24 0.666 -3.577 -4.928 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.183 -2.627 -3.194 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.875 -1.671 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.336 -3.721 -1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.736 -5.927 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.425 -5.143 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.070 -5.155 -3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.292 -4.527 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.619 -3.764 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.363 -2.755 -0.314 1.00 0.00 H new ATOM 376 N LEU A 25 -1.773 -1.822 -3.597 1.00 0.00 N ATOM 377 CA LEU A 25 -3.250 -1.888 -3.390 1.00 0.00 C ATOM 378 C LEU A 25 -3.963 -2.068 -4.731 1.00 0.00 C ATOM 379 O LEU A 25 -4.902 -2.835 -4.852 1.00 0.00 O ATOM 380 CB LEU A 25 -3.624 -0.543 -2.770 1.00 0.00 C ATOM 381 CG LEU A 25 -3.567 -0.644 -1.248 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.736 0.510 -0.691 1.00 0.00 C ATOM 383 CD2 LEU A 25 -4.988 -0.561 -0.692 1.00 0.00 C ATOM 0 H LEU A 25 -1.328 -0.958 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.539 -2.727 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.941 0.231 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.625 -0.251 -3.087 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.110 -1.590 -0.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.695 0.438 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.725 0.459 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.193 1.458 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.958 -0.632 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.437 0.389 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.584 -1.381 -1.093 1.00 0.00 H new ATOM 395 N LYS A 26 -3.523 -1.365 -5.741 1.00 0.00 N ATOM 396 CA LYS A 26 -4.169 -1.495 -7.077 1.00 0.00 C ATOM 397 C LYS A 26 -4.009 -2.930 -7.585 1.00 0.00 C ATOM 398 O LYS A 26 -4.943 -3.536 -8.071 1.00 0.00 O ATOM 399 CB LYS A 26 -3.421 -0.512 -7.977 1.00 0.00 C ATOM 400 CG LYS A 26 -4.425 0.272 -8.824 1.00 0.00 C ATOM 401 CD LYS A 26 -4.100 1.765 -8.750 1.00 0.00 C ATOM 402 CE LYS A 26 -3.497 2.223 -10.080 1.00 0.00 C ATOM 403 NZ LYS A 26 -3.457 3.709 -9.990 1.00 0.00 N ATOM 0 H LYS A 26 -2.745 -0.707 -5.697 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.237 -1.280 -7.052 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.828 0.173 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.727 -1.050 -8.622 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.388 -0.068 -9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.438 0.091 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.004 2.334 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.400 1.956 -7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.499 1.809 -10.225 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.104 1.894 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.055 4.099 -10.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.422 4.075 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.866 3.992 -9.182 1.00 0.00 H new ATOM 417 N GLU A 27 -2.832 -3.483 -7.456 1.00 0.00 N ATOM 418 CA GLU A 27 -2.616 -4.886 -7.911 1.00 0.00 C ATOM 419 C GLU A 27 -3.447 -5.826 -7.039 1.00 0.00 C ATOM 420 O GLU A 27 -3.832 -6.903 -7.450 1.00 0.00 O ATOM 421 CB GLU A 27 -1.122 -5.144 -7.711 1.00 0.00 C ATOM 422 CG GLU A 27 -0.384 -4.916 -9.032 1.00 0.00 C ATOM 423 CD GLU A 27 -0.101 -6.264 -9.697 1.00 0.00 C ATOM 424 OE1 GLU A 27 0.290 -7.180 -8.992 1.00 0.00 O ATOM 425 OE2 GLU A 27 -0.278 -6.357 -10.900 1.00 0.00 O ATOM 0 H GLU A 27 -2.013 -3.024 -7.056 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.913 -5.048 -8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.727 -4.480 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.962 -6.165 -7.364 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.984 -4.291 -9.693 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.550 -4.384 -8.852 1.00 0.00 H new ATOM 432 N LYS A 28 -3.737 -5.408 -5.838 1.00 0.00 N ATOM 433 CA LYS A 28 -4.557 -6.248 -4.924 1.00 0.00 C ATOM 434 C LYS A 28 -6.041 -6.000 -5.198 1.00 0.00 C ATOM 435 O LYS A 28 -6.904 -6.447 -4.471 1.00 0.00 O ATOM 436 CB LYS A 28 -4.184 -5.779 -3.516 1.00 0.00 C ATOM 437 CG LYS A 28 -3.026 -6.623 -2.977 1.00 0.00 C ATOM 438 CD LYS A 28 -1.735 -6.274 -3.722 1.00 0.00 C ATOM 439 CE LYS A 28 -0.792 -7.480 -3.708 1.00 0.00 C ATOM 440 NZ LYS A 28 -1.038 -8.174 -5.005 1.00 0.00 N ATOM 0 H LYS A 28 -3.438 -4.514 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.376 -7.315 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.900 -4.727 -3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.046 -5.864 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.900 -6.443 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.250 -7.683 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.962 -5.989 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.253 -5.417 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.248 -7.167 -3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.002 -8.136 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.587 -9.111 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.062 -8.285 -5.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.637 -7.611 -5.782 1.00 0.00 H new ATOM 454 N ARG A 29 -6.339 -5.284 -6.248 1.00 0.00 N ATOM 455 CA ARG A 29 -7.762 -4.998 -6.579 1.00 0.00 C ATOM 456 C ARG A 29 -8.507 -4.507 -5.337 1.00 0.00 C ATOM 457 O ARG A 29 -9.693 -4.725 -5.190 1.00 0.00 O ATOM 458 CB ARG A 29 -8.333 -6.333 -7.055 1.00 0.00 C ATOM 459 CG ARG A 29 -7.901 -6.588 -8.501 1.00 0.00 C ATOM 460 CD ARG A 29 -8.643 -5.627 -9.432 1.00 0.00 C ATOM 461 NE ARG A 29 -7.705 -5.392 -10.566 1.00 0.00 N ATOM 462 CZ ARG A 29 -6.533 -4.863 -10.345 1.00 0.00 C ATOM 463 NH1 ARG A 29 -5.497 -5.632 -10.152 1.00 0.00 N ATOM 464 NH2 ARG A 29 -6.399 -3.565 -10.316 1.00 0.00 N ATOM 0 H ARG A 29 -5.656 -4.884 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.861 -4.219 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.982 -7.140 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.421 -6.320 -6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.824 -6.449 -8.600 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.116 -7.620 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.582 -6.059 -9.779 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.889 -4.695 -8.923 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.979 -5.645 -11.515 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.604 -6.646 -10.174 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.580 -5.219 -9.979 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.210 -2.965 -10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.483 -3.151 -10.143 1.00 0.00 H new ATOM 478 N VAL A 30 -7.826 -3.844 -4.440 1.00 0.00 N ATOM 479 CA VAL A 30 -8.516 -3.345 -3.217 1.00 0.00 C ATOM 480 C VAL A 30 -9.652 -2.395 -3.613 1.00 0.00 C ATOM 481 O VAL A 30 -9.444 -1.454 -4.350 1.00 0.00 O ATOM 482 CB VAL A 30 -7.439 -2.602 -2.425 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.060 -2.001 -1.163 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.329 -3.577 -2.028 1.00 0.00 C ATOM 0 H VAL A 30 -6.831 -3.628 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.961 -4.149 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.020 -1.807 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.294 -1.471 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.851 -1.305 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.479 -2.798 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.563 -3.046 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.747 -4.373 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.885 -4.008 -2.925 1.00 0.00 H new ATOM 494 N PRO A 31 -10.824 -2.677 -3.116 1.00 0.00 N ATOM 495 CA PRO A 31 -12.003 -1.836 -3.434 1.00 0.00 C ATOM 496 C PRO A 31 -11.893 -0.482 -2.733 1.00 0.00 C ATOM 497 O PRO A 31 -11.117 -0.307 -1.815 1.00 0.00 O ATOM 498 CB PRO A 31 -13.177 -2.638 -2.883 1.00 0.00 C ATOM 499 CG PRO A 31 -12.584 -3.491 -1.809 1.00 0.00 C ATOM 500 CD PRO A 31 -11.164 -3.788 -2.221 1.00 0.00 C ATOM 0 HA PRO A 31 -12.103 -1.623 -4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.952 -1.983 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.641 -3.245 -3.660 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.608 -2.976 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.153 -4.413 -1.690 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.497 -3.828 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.087 -4.750 -2.729 1.00 0.00 H new ATOM 508 N SER A 32 -12.667 0.477 -3.158 1.00 0.00 N ATOM 509 CA SER A 32 -12.611 1.819 -2.516 1.00 0.00 C ATOM 510 C SER A 32 -13.250 1.760 -1.127 1.00 0.00 C ATOM 511 O SER A 32 -13.181 2.700 -0.359 1.00 0.00 O ATOM 512 CB SER A 32 -13.416 2.730 -3.441 1.00 0.00 C ATOM 513 OG SER A 32 -13.976 3.793 -2.682 1.00 0.00 O ATOM 0 H SER A 32 -13.336 0.389 -3.923 1.00 0.00 H new ATOM 0 HA SER A 32 -11.590 2.176 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.774 3.128 -4.227 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.207 2.162 -3.932 1.00 0.00 H new ATOM 0 HG SER A 32 -13.573 3.805 -1.789 1.00 0.00 H new ATOM 519 N ASN A 33 -13.874 0.660 -0.798 1.00 0.00 N ATOM 520 CA ASN A 33 -14.519 0.541 0.541 1.00 0.00 C ATOM 521 C ASN A 33 -13.808 -0.523 1.381 1.00 0.00 C ATOM 522 O ASN A 33 -14.333 -1.001 2.366 1.00 0.00 O ATOM 523 CB ASN A 33 -15.961 0.120 0.249 1.00 0.00 C ATOM 524 CG ASN A 33 -15.974 -1.278 -0.372 1.00 0.00 C ATOM 525 OD1 ASN A 33 -15.354 -2.189 0.142 1.00 0.00 O ATOM 526 ND2 ASN A 33 -16.660 -1.489 -1.462 1.00 0.00 N ATOM 0 H ASN A 33 -13.965 -0.160 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.472 1.472 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.545 0.125 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.428 0.834 -0.429 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.676 -2.418 -1.883 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.180 -0.725 -1.893 1.00 0.00 H new ATOM 533 N ALA A 34 -12.617 -0.900 1.001 1.00 0.00 N ATOM 534 CA ALA A 34 -11.880 -1.932 1.785 1.00 0.00 C ATOM 535 C ALA A 34 -11.444 -1.365 3.136 1.00 0.00 C ATOM 536 O ALA A 34 -11.095 -0.208 3.251 1.00 0.00 O ATOM 537 CB ALA A 34 -10.651 -2.283 0.943 1.00 0.00 C ATOM 0 H ALA A 34 -12.124 -0.539 0.184 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.502 -2.805 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.060 -3.039 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.971 -2.671 -0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.045 -1.389 0.793 1.00 0.00 H new ATOM 543 N SER A 35 -11.442 -2.178 4.156 1.00 0.00 N ATOM 544 CA SER A 35 -11.002 -1.691 5.491 1.00 0.00 C ATOM 545 C SER A 35 -9.487 -1.853 5.598 1.00 0.00 C ATOM 546 O SER A 35 -8.907 -2.703 4.951 1.00 0.00 O ATOM 547 CB SER A 35 -11.708 -2.592 6.502 1.00 0.00 C ATOM 548 OG SER A 35 -11.012 -3.831 6.592 1.00 0.00 O ATOM 0 H SER A 35 -11.726 -3.157 4.122 1.00 0.00 H new ATOM 0 HA SER A 35 -11.242 -0.641 5.661 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.740 -2.108 7.478 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.740 -2.763 6.196 1.00 0.00 H new ATOM 0 HG SER A 35 -11.543 -4.467 7.115 1.00 0.00 H new ATOM 554 N TRP A 36 -8.830 -1.058 6.393 1.00 0.00 N ATOM 555 CA TRP A 36 -7.354 -1.212 6.495 1.00 0.00 C ATOM 556 C TRP A 36 -7.011 -2.681 6.739 1.00 0.00 C ATOM 557 O TRP A 36 -5.982 -3.163 6.320 1.00 0.00 O ATOM 558 CB TRP A 36 -6.917 -0.355 7.682 1.00 0.00 C ATOM 559 CG TRP A 36 -5.460 -0.584 7.931 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.899 -0.798 9.143 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.371 -0.633 6.962 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.536 -0.978 8.980 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.161 -0.885 7.652 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.316 -0.485 5.563 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.941 -0.989 6.977 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.092 -0.588 4.883 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.908 -0.840 5.588 1.00 0.00 C ATOM 0 H TRP A 36 -9.241 -0.322 6.967 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.847 -0.900 5.582 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.104 0.699 7.476 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.497 -0.614 8.568 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.428 -0.824 10.084 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.887 -1.157 9.746 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.222 -0.291 5.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.031 -1.183 7.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.063 -0.472 3.810 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.970 -0.919 5.058 1.00 0.00 H new ATOM 578 N GLU A 37 -7.866 -3.400 7.411 1.00 0.00 N ATOM 579 CA GLU A 37 -7.580 -4.840 7.672 1.00 0.00 C ATOM 580 C GLU A 37 -7.576 -5.627 6.356 1.00 0.00 C ATOM 581 O GLU A 37 -6.663 -6.381 6.074 1.00 0.00 O ATOM 582 CB GLU A 37 -8.719 -5.311 8.578 1.00 0.00 C ATOM 583 CG GLU A 37 -8.438 -4.880 10.019 1.00 0.00 C ATOM 584 CD GLU A 37 -8.780 -6.027 10.971 1.00 0.00 C ATOM 585 OE1 GLU A 37 -9.465 -6.941 10.544 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.351 -5.973 12.112 1.00 0.00 O ATOM 0 H GLU A 37 -8.748 -3.055 7.790 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.604 -4.991 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.665 -4.889 8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.816 -6.395 8.524 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.390 -4.603 10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.029 -3.998 10.268 1.00 0.00 H new ATOM 593 N GLN A 38 -8.588 -5.455 5.549 1.00 0.00 N ATOM 594 CA GLN A 38 -8.644 -6.191 4.253 1.00 0.00 C ATOM 595 C GLN A 38 -7.596 -5.649 3.282 1.00 0.00 C ATOM 596 O GLN A 38 -6.886 -6.397 2.638 1.00 0.00 O ATOM 597 CB GLN A 38 -10.055 -5.933 3.724 1.00 0.00 C ATOM 598 CG GLN A 38 -11.075 -6.621 4.633 1.00 0.00 C ATOM 599 CD GLN A 38 -12.288 -7.052 3.806 1.00 0.00 C ATOM 600 OE1 GLN A 38 -13.414 -6.783 4.175 1.00 0.00 O ATOM 601 NE2 GLN A 38 -12.106 -7.714 2.697 1.00 0.00 N ATOM 0 H GLN A 38 -9.378 -4.837 5.731 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.435 -7.254 4.371 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.250 -4.861 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.147 -6.310 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.623 -7.488 5.114 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.386 -5.942 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.161 -7.940 2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.909 -8.006 2.140 1.00 0.00 H new ATOM 610 N ALA A 39 -7.487 -4.355 3.171 1.00 0.00 N ATOM 611 CA ALA A 39 -6.482 -3.773 2.239 1.00 0.00 C ATOM 612 C ALA A 39 -5.066 -4.067 2.740 1.00 0.00 C ATOM 613 O ALA A 39 -4.212 -4.492 1.991 1.00 0.00 O ATOM 614 CB ALA A 39 -6.753 -2.268 2.248 1.00 0.00 C ATOM 0 H ALA A 39 -8.049 -3.676 3.684 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.558 -4.193 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.050 -1.768 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.771 -2.080 1.908 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.631 -1.882 3.260 1.00 0.00 H new ATOM 620 N MET A 40 -4.812 -3.839 4.001 1.00 0.00 N ATOM 621 CA MET A 40 -3.447 -4.095 4.550 1.00 0.00 C ATOM 622 C MET A 40 -3.042 -5.557 4.355 1.00 0.00 C ATOM 623 O MET A 40 -1.956 -5.843 3.912 1.00 0.00 O ATOM 624 CB MET A 40 -3.542 -3.768 6.039 1.00 0.00 C ATOM 625 CG MET A 40 -2.174 -3.956 6.693 1.00 0.00 C ATOM 626 SD MET A 40 -2.298 -3.624 8.469 1.00 0.00 S ATOM 627 CE MET A 40 -2.334 -5.347 9.022 1.00 0.00 C ATOM 0 H MET A 40 -5.491 -3.486 4.676 1.00 0.00 H new ATOM 0 HA MET A 40 -2.694 -3.492 4.042 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.884 -2.742 6.175 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.277 -4.415 6.518 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.817 -4.972 6.527 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.447 -3.284 6.237 1.00 0.00 H new ATOM 0 HE1 MET A 40 -2.410 -5.379 10.109 1.00 0.00 H new ATOM 0 HE2 MET A 40 -3.195 -5.852 8.583 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.419 -5.849 8.707 1.00 0.00 H new ATOM 637 N LYS A 41 -3.892 -6.486 4.693 1.00 0.00 N ATOM 638 CA LYS A 41 -3.522 -7.925 4.526 1.00 0.00 C ATOM 639 C LYS A 41 -3.304 -8.252 3.041 1.00 0.00 C ATOM 640 O LYS A 41 -2.315 -8.859 2.658 1.00 0.00 O ATOM 641 CB LYS A 41 -4.727 -8.690 5.085 1.00 0.00 C ATOM 642 CG LYS A 41 -4.668 -10.161 4.667 1.00 0.00 C ATOM 643 CD LYS A 41 -6.021 -10.568 4.081 1.00 0.00 C ATOM 644 CE LYS A 41 -5.815 -11.639 3.009 1.00 0.00 C ATOM 645 NZ LYS A 41 -7.164 -12.236 2.804 1.00 0.00 N ATOM 0 H LYS A 41 -4.822 -6.316 5.076 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.595 -8.186 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.740 -8.615 6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.651 -8.240 4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.878 -10.312 3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.426 -10.787 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.670 -10.949 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.518 -9.699 3.650 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.430 -11.206 2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.095 -12.390 3.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.107 -12.982 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.502 -12.646 3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.826 -11.498 2.489 1.00 0.00 H new ATOM 659 N MET A 42 -4.218 -7.846 2.202 1.00 0.00 N ATOM 660 CA MET A 42 -4.074 -8.129 0.745 1.00 0.00 C ATOM 661 C MET A 42 -2.789 -7.504 0.202 1.00 0.00 C ATOM 662 O MET A 42 -2.202 -7.992 -0.744 1.00 0.00 O ATOM 663 CB MET A 42 -5.295 -7.475 0.096 1.00 0.00 C ATOM 664 CG MET A 42 -6.574 -8.124 0.628 1.00 0.00 C ATOM 665 SD MET A 42 -7.217 -9.283 -0.604 1.00 0.00 S ATOM 666 CE MET A 42 -7.700 -8.054 -1.841 1.00 0.00 C ATOM 0 H MET A 42 -5.059 -7.330 2.463 1.00 0.00 H new ATOM 0 HA MET A 42 -4.018 -9.198 0.539 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.303 -6.406 0.309 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.244 -7.584 -0.987 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.368 -8.646 1.562 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.319 -7.359 0.848 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.752 -8.186 -2.093 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.546 -7.053 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.093 -8.182 -2.737 1.00 0.00 H new ATOM 676 N ILE A 43 -2.356 -6.421 0.782 1.00 0.00 N ATOM 677 CA ILE A 43 -1.122 -5.755 0.284 1.00 0.00 C ATOM 678 C ILE A 43 0.111 -6.229 1.066 1.00 0.00 C ATOM 679 O ILE A 43 1.211 -6.248 0.552 1.00 0.00 O ATOM 680 CB ILE A 43 -1.370 -4.256 0.495 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.296 -3.915 1.982 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.753 -3.875 -0.033 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.094 -2.406 2.135 1.00 0.00 C ATOM 0 H ILE A 43 -2.803 -5.968 1.579 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.922 -5.990 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.604 -3.700 -0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.211 -4.226 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.474 -4.455 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.920 -2.809 0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.811 -4.101 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.515 -4.443 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.040 -2.152 3.194 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.167 -2.111 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.931 -1.879 1.678 1.00 0.00 H new ATOM 695 N ILE A 44 -0.058 -6.623 2.299 1.00 0.00 N ATOM 696 CA ILE A 44 1.117 -7.092 3.088 1.00 0.00 C ATOM 697 C ILE A 44 1.662 -8.374 2.465 1.00 0.00 C ATOM 698 O ILE A 44 2.856 -8.562 2.354 1.00 0.00 O ATOM 699 CB ILE A 44 0.595 -7.335 4.512 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.731 -7.106 5.509 1.00 0.00 C ATOM 701 CG2 ILE A 44 0.086 -8.771 4.662 1.00 0.00 C ATOM 702 CD1 ILE A 44 1.156 -6.652 6.850 1.00 0.00 C ATOM 0 H ILE A 44 -0.951 -6.641 2.791 1.00 0.00 H new ATOM 0 HA ILE A 44 1.932 -6.369 3.099 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.227 -6.645 4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.303 -8.024 5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.419 -6.354 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.279 -8.923 5.678 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.725 -8.945 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.899 -9.468 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.969 -6.490 7.558 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.603 -5.723 6.713 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.485 -7.419 7.237 1.00 0.00 H new ATOM 714 N ASN A 45 0.793 -9.248 2.035 1.00 0.00 N ATOM 715 CA ASN A 45 1.286 -10.501 1.393 1.00 0.00 C ATOM 716 C ASN A 45 2.324 -10.138 0.322 1.00 0.00 C ATOM 717 O ASN A 45 3.154 -10.939 -0.057 1.00 0.00 O ATOM 718 CB ASN A 45 0.052 -11.137 0.752 1.00 0.00 C ATOM 719 CG ASN A 45 -0.644 -12.045 1.766 1.00 0.00 C ATOM 720 OD1 ASN A 45 -1.848 -11.995 1.918 1.00 0.00 O ATOM 721 ND2 ASN A 45 0.068 -12.878 2.472 1.00 0.00 N ATOM 0 H ASN A 45 -0.221 -9.153 2.098 1.00 0.00 H new ATOM 0 HA ASN A 45 1.761 -11.181 2.100 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.634 -10.361 0.413 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.342 -11.712 -0.127 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.386 -13.488 3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.079 -12.920 2.344 1.00 0.00 H new ATOM 728 N ASP A 46 2.269 -8.925 -0.162 1.00 0.00 N ATOM 729 CA ASP A 46 3.229 -8.470 -1.210 1.00 0.00 C ATOM 730 C ASP A 46 4.360 -7.648 -0.573 1.00 0.00 C ATOM 731 O ASP A 46 4.145 -6.947 0.398 1.00 0.00 O ATOM 732 CB ASP A 46 2.387 -7.598 -2.134 1.00 0.00 C ATOM 733 CG ASP A 46 3.178 -7.264 -3.397 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.067 -6.435 -3.308 1.00 0.00 O ATOM 735 OD2 ASP A 46 2.885 -7.844 -4.429 1.00 0.00 O ATOM 0 H ASP A 46 1.590 -8.221 0.129 1.00 0.00 H new ATOM 0 HA ASP A 46 3.703 -9.298 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.466 -8.117 -2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.100 -6.680 -1.621 1.00 0.00 H new ATOM 740 N PRO A 47 5.535 -7.766 -1.139 1.00 0.00 N ATOM 741 CA PRO A 47 6.717 -7.034 -0.607 1.00 0.00 C ATOM 742 C PRO A 47 6.519 -5.514 -0.681 1.00 0.00 C ATOM 743 O PRO A 47 7.184 -4.767 0.009 1.00 0.00 O ATOM 744 CB PRO A 47 7.861 -7.504 -1.505 1.00 0.00 C ATOM 745 CG PRO A 47 7.190 -7.959 -2.758 1.00 0.00 C ATOM 746 CD PRO A 47 5.882 -8.562 -2.323 1.00 0.00 C ATOM 0 HA PRO A 47 6.902 -7.237 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.567 -6.698 -1.703 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.424 -8.313 -1.040 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.029 -7.125 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.802 -8.690 -3.287 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.122 -8.483 -3.100 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.984 -9.620 -2.083 1.00 0.00 H new ATOM 754 N ARG A 48 5.601 -5.042 -1.483 1.00 0.00 N ATOM 755 CA ARG A 48 5.375 -3.567 -1.547 1.00 0.00 C ATOM 756 C ARG A 48 5.012 -3.030 -0.168 1.00 0.00 C ATOM 757 O ARG A 48 5.220 -1.870 0.126 1.00 0.00 O ATOM 758 CB ARG A 48 4.216 -3.351 -2.511 1.00 0.00 C ATOM 759 CG ARG A 48 4.755 -3.087 -3.916 1.00 0.00 C ATOM 760 CD ARG A 48 5.239 -4.392 -4.528 1.00 0.00 C ATOM 761 NE ARG A 48 4.046 -4.948 -5.219 1.00 0.00 N ATOM 762 CZ ARG A 48 4.190 -5.630 -6.322 1.00 0.00 C ATOM 763 NH1 ARG A 48 5.043 -5.233 -7.227 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.487 -6.710 -6.522 1.00 0.00 N ATOM 0 H ARG A 48 5.005 -5.605 -2.089 1.00 0.00 H new ATOM 0 HA ARG A 48 6.272 -3.045 -1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.569 -4.228 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.608 -2.509 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.976 -2.648 -4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.573 -2.368 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.058 -4.222 -5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.608 -5.075 -3.763 1.00 0.00 H new ATOM 0 HE ARG A 48 3.115 -4.796 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.596 -4.390 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.156 -5.766 -8.090 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.822 -7.024 -5.815 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.602 -7.241 -7.385 1.00 0.00 H new ATOM 778 N TYR A 49 4.467 -3.853 0.682 1.00 0.00 N ATOM 779 CA TYR A 49 4.099 -3.354 2.033 1.00 0.00 C ATOM 780 C TYR A 49 5.351 -2.828 2.737 1.00 0.00 C ATOM 781 O TYR A 49 5.308 -1.875 3.498 1.00 0.00 O ATOM 782 CB TYR A 49 3.524 -4.564 2.770 1.00 0.00 C ATOM 783 CG TYR A 49 2.685 -4.088 3.931 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.410 -3.569 3.697 1.00 0.00 C ATOM 785 CD2 TYR A 49 3.179 -4.171 5.238 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.623 -3.133 4.766 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.393 -3.735 6.311 1.00 0.00 C ATOM 788 CZ TYR A 49 1.114 -3.216 6.076 1.00 0.00 C ATOM 789 OH TYR A 49 0.342 -2.785 7.136 1.00 0.00 O ATOM 0 H TYR A 49 4.263 -4.836 0.503 1.00 0.00 H new ATOM 0 HA TYR A 49 3.379 -2.537 1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.919 -5.164 2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.331 -5.204 3.128 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.031 -3.504 2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.166 -4.571 5.418 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.363 -2.732 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.773 -3.799 7.320 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.138 -1.970 6.881 1.00 0.00 H new ATOM 799 N SER A 50 6.477 -3.427 2.466 1.00 0.00 N ATOM 800 CA SER A 50 7.735 -2.957 3.105 1.00 0.00 C ATOM 801 C SER A 50 8.124 -1.605 2.514 1.00 0.00 C ATOM 802 O SER A 50 9.029 -0.944 2.986 1.00 0.00 O ATOM 803 CB SER A 50 8.777 -4.021 2.760 1.00 0.00 C ATOM 804 OG SER A 50 10.027 -3.656 3.330 1.00 0.00 O ATOM 0 H SER A 50 6.579 -4.219 1.832 1.00 0.00 H new ATOM 0 HA SER A 50 7.641 -2.827 4.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.461 -4.993 3.140 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.872 -4.117 1.678 1.00 0.00 H new ATOM 0 HG SER A 50 10.697 -4.337 3.112 1.00 0.00 H new ATOM 810 N ALA A 51 7.426 -1.174 1.497 1.00 0.00 N ATOM 811 CA ALA A 51 7.732 0.149 0.895 1.00 0.00 C ATOM 812 C ALA A 51 7.485 1.232 1.945 1.00 0.00 C ATOM 813 O ALA A 51 8.020 2.321 1.869 1.00 0.00 O ATOM 814 CB ALA A 51 6.757 0.294 -0.273 1.00 0.00 C ATOM 0 H ALA A 51 6.658 -1.683 1.060 1.00 0.00 H new ATOM 0 HA ALA A 51 8.765 0.239 0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.923 1.250 -0.769 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.918 -0.516 -0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.734 0.251 0.100 1.00 0.00 H new ATOM 820 N LEU A 52 6.685 0.930 2.938 1.00 0.00 N ATOM 821 CA LEU A 52 6.417 1.935 4.008 1.00 0.00 C ATOM 822 C LEU A 52 6.709 1.313 5.374 1.00 0.00 C ATOM 823 O LEU A 52 6.113 0.328 5.760 1.00 0.00 O ATOM 824 CB LEU A 52 4.934 2.293 3.880 1.00 0.00 C ATOM 825 CG LEU A 52 4.716 3.194 2.660 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.315 3.797 2.727 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.749 4.324 2.655 1.00 0.00 C ATOM 0 H LEU A 52 6.209 0.035 3.052 1.00 0.00 H new ATOM 0 HA LEU A 52 7.044 2.822 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.339 1.385 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.595 2.801 4.783 1.00 0.00 H new ATOM 0 HG LEU A 52 4.825 2.602 1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.154 4.439 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.574 2.997 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.215 4.385 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.588 4.960 1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.643 4.917 3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.752 3.900 2.613 1.00 0.00 H new ATOM 839 N ALA A 53 7.634 1.874 6.097 1.00 0.00 N ATOM 840 CA ALA A 53 7.984 1.309 7.434 1.00 0.00 C ATOM 841 C ALA A 53 6.940 1.702 8.483 1.00 0.00 C ATOM 842 O ALA A 53 6.700 0.981 9.431 1.00 0.00 O ATOM 843 CB ALA A 53 9.342 1.924 7.776 1.00 0.00 C ATOM 0 H ALA A 53 8.165 2.700 5.823 1.00 0.00 H new ATOM 0 HA ALA A 53 8.014 0.219 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.672 1.559 8.748 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.071 1.643 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.252 3.010 7.808 1.00 0.00 H new ATOM 849 N LYS A 54 6.328 2.843 8.331 1.00 0.00 N ATOM 850 CA LYS A 54 5.315 3.282 9.333 1.00 0.00 C ATOM 851 C LYS A 54 3.898 2.937 8.867 1.00 0.00 C ATOM 852 O LYS A 54 3.543 3.116 7.718 1.00 0.00 O ATOM 853 CB LYS A 54 5.489 4.797 9.424 1.00 0.00 C ATOM 854 CG LYS A 54 6.406 5.134 10.600 1.00 0.00 C ATOM 855 CD LYS A 54 6.438 6.649 10.804 1.00 0.00 C ATOM 856 CE LYS A 54 7.401 7.277 9.795 1.00 0.00 C ATOM 857 NZ LYS A 54 7.655 8.650 10.313 1.00 0.00 N ATOM 0 H LYS A 54 6.484 3.490 7.558 1.00 0.00 H new ATOM 0 HA LYS A 54 5.454 2.787 10.294 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.913 5.182 8.496 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.520 5.278 9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.050 4.642 11.505 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.412 4.761 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.439 7.065 10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.755 6.884 11.820 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.326 6.705 9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.964 7.306 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.308 9.147 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.758 9.173 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.077 8.591 11.262 1.00 0.00 H new ATOM 871 N LEU A 55 3.078 2.452 9.754 1.00 0.00 N ATOM 872 CA LEU A 55 1.687 2.121 9.355 1.00 0.00 C ATOM 873 C LEU A 55 0.908 3.411 9.102 1.00 0.00 C ATOM 874 O LEU A 55 0.014 3.455 8.280 1.00 0.00 O ATOM 875 CB LEU A 55 1.093 1.344 10.524 1.00 0.00 C ATOM 876 CG LEU A 55 0.209 0.227 9.970 1.00 0.00 C ATOM 877 CD1 LEU A 55 -0.844 0.830 9.038 1.00 0.00 C ATOM 878 CD2 LEU A 55 1.072 -0.759 9.179 1.00 0.00 C ATOM 0 H LEU A 55 3.309 2.272 10.731 1.00 0.00 H new ATOM 0 HA LEU A 55 1.647 1.533 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.887 0.926 11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.509 2.008 11.161 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.281 -0.292 10.794 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.476 0.036 8.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.458 1.539 9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.349 1.345 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.443 -1.556 8.783 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.558 -0.237 8.355 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.830 -1.187 9.835 1.00 0.00 H new ATOM 890 N SER A 56 1.241 4.466 9.798 1.00 0.00 N ATOM 891 CA SER A 56 0.516 5.750 9.583 1.00 0.00 C ATOM 892 C SER A 56 0.643 6.154 8.115 1.00 0.00 C ATOM 893 O SER A 56 -0.323 6.524 7.477 1.00 0.00 O ATOM 894 CB SER A 56 1.214 6.762 10.488 1.00 0.00 C ATOM 895 OG SER A 56 0.271 7.737 10.914 1.00 0.00 O ATOM 0 H SER A 56 1.979 4.493 10.501 1.00 0.00 H new ATOM 0 HA SER A 56 -0.547 5.682 9.815 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.648 6.257 11.351 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.034 7.241 9.953 1.00 0.00 H new ATOM 0 HG SER A 56 0.714 8.388 11.497 1.00 0.00 H new ATOM 901 N GLU A 57 1.822 6.052 7.561 1.00 0.00 N ATOM 902 CA GLU A 57 1.985 6.397 6.125 1.00 0.00 C ATOM 903 C GLU A 57 1.306 5.312 5.291 1.00 0.00 C ATOM 904 O GLU A 57 0.695 5.583 4.276 1.00 0.00 O ATOM 905 CB GLU A 57 3.496 6.442 5.866 1.00 0.00 C ATOM 906 CG GLU A 57 4.147 5.136 6.321 1.00 0.00 C ATOM 907 CD GLU A 57 5.583 5.075 5.801 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.992 6.013 5.137 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.251 4.092 6.078 1.00 0.00 O ATOM 0 H GLU A 57 2.670 5.747 8.038 1.00 0.00 H new ATOM 0 HA GLU A 57 1.534 7.353 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.686 6.601 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.939 7.283 6.399 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.140 5.073 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.578 4.284 5.949 1.00 0.00 H new ATOM 916 N LYS A 58 1.383 4.082 5.732 1.00 0.00 N ATOM 917 CA LYS A 58 0.712 2.982 4.983 1.00 0.00 C ATOM 918 C LYS A 58 -0.791 3.267 4.903 1.00 0.00 C ATOM 919 O LYS A 58 -1.424 3.054 3.888 1.00 0.00 O ATOM 920 CB LYS A 58 0.970 1.724 5.814 1.00 0.00 C ATOM 921 CG LYS A 58 2.379 1.197 5.534 1.00 0.00 C ATOM 922 CD LYS A 58 2.431 -0.301 5.844 1.00 0.00 C ATOM 923 CE LYS A 58 3.429 -0.557 6.976 1.00 0.00 C ATOM 924 NZ LYS A 58 4.503 -1.389 6.363 1.00 0.00 N ATOM 0 H LYS A 58 1.880 3.795 6.575 1.00 0.00 H new ATOM 0 HA LYS A 58 1.084 2.878 3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.860 1.949 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.231 0.960 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.645 1.374 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.107 1.732 6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.442 -0.658 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.725 -0.857 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.829 0.378 7.368 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.956 -1.075 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.123 -1.761 7.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.074 -2.181 5.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.062 -0.806 5.707 1.00 0.00 H new ATOM 938 N LYS A 59 -1.364 3.755 5.974 1.00 0.00 N ATOM 939 CA LYS A 59 -2.824 4.063 5.974 1.00 0.00 C ATOM 940 C LYS A 59 -3.100 5.271 5.080 1.00 0.00 C ATOM 941 O LYS A 59 -4.073 5.309 4.355 1.00 0.00 O ATOM 942 CB LYS A 59 -3.162 4.397 7.427 1.00 0.00 C ATOM 943 CG LYS A 59 -3.233 3.112 8.254 1.00 0.00 C ATOM 944 CD LYS A 59 -3.330 3.470 9.738 1.00 0.00 C ATOM 945 CE LYS A 59 -3.829 2.258 10.527 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.596 2.608 11.956 1.00 0.00 N ATOM 0 H LYS A 59 -0.881 3.953 6.850 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.421 3.233 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.406 5.065 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.115 4.924 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.098 2.520 7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.349 2.500 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.355 3.783 10.111 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.009 4.311 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.885 2.068 10.334 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.287 1.355 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.914 1.824 12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.582 2.776 12.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.130 3.468 12.194 1.00 0.00 H new ATOM 960 N GLN A 60 -2.251 6.261 5.125 1.00 0.00 N ATOM 961 CA GLN A 60 -2.470 7.464 4.272 1.00 0.00 C ATOM 962 C GLN A 60 -2.452 7.060 2.798 1.00 0.00 C ATOM 963 O GLN A 60 -3.235 7.539 2.003 1.00 0.00 O ATOM 964 CB GLN A 60 -1.304 8.397 4.593 1.00 0.00 C ATOM 965 CG GLN A 60 -1.415 8.871 6.044 1.00 0.00 C ATOM 966 CD GLN A 60 -0.127 9.590 6.448 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.328 10.480 5.758 1.00 0.00 O ATOM 968 NE2 GLN A 60 0.486 9.239 7.546 1.00 0.00 N ATOM 0 H GLN A 60 -1.418 6.289 5.713 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.430 7.944 4.462 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.357 7.879 4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.312 9.253 3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.268 9.541 6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.591 8.021 6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.105 8.492 8.126 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.346 9.712 7.824 1.00 0.00 H new ATOM 977 N ALA A 61 -1.570 6.172 2.427 1.00 0.00 N ATOM 978 CA ALA A 61 -1.517 5.731 1.005 1.00 0.00 C ATOM 979 C ALA A 61 -2.741 4.870 0.694 1.00 0.00 C ATOM 980 O ALA A 61 -3.316 4.953 -0.374 1.00 0.00 O ATOM 981 CB ALA A 61 -0.234 4.909 0.886 1.00 0.00 C ATOM 0 H ALA A 61 -0.886 5.735 3.045 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.520 6.567 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.126 4.549 -0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.622 5.532 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.282 4.059 1.567 1.00 0.00 H new ATOM 987 N PHE A 62 -3.150 4.049 1.623 1.00 0.00 N ATOM 988 CA PHE A 62 -4.345 3.194 1.382 1.00 0.00 C ATOM 989 C PHE A 62 -5.592 4.073 1.299 1.00 0.00 C ATOM 990 O PHE A 62 -6.420 3.921 0.423 1.00 0.00 O ATOM 991 CB PHE A 62 -4.419 2.273 2.595 1.00 0.00 C ATOM 992 CG PHE A 62 -5.740 1.549 2.591 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.302 1.120 1.382 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.403 1.303 3.796 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.520 0.444 1.380 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.627 0.627 3.794 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.184 0.195 2.587 1.00 0.00 C ATOM 0 H PHE A 62 -2.709 3.934 2.536 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.281 2.631 0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.598 1.556 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.311 2.852 3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.791 1.313 0.451 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.970 1.635 4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.952 0.112 0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.142 0.439 4.725 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.127 -0.331 2.586 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.725 5.007 2.200 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.906 5.910 2.162 1.00 0.00 C ATOM 1009 C ASN A 63 -6.900 6.678 0.845 1.00 0.00 C ATOM 1010 O ASN A 63 -7.916 6.839 0.197 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.728 6.861 3.345 1.00 0.00 C ATOM 1012 CG ASN A 63 -7.423 6.279 4.576 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.471 6.748 4.977 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -6.882 5.268 5.197 1.00 0.00 N ATOM 0 H ASN A 63 -5.067 5.183 2.959 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.852 5.373 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.668 7.010 3.549 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.147 7.838 3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.338 4.871 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.003 4.874 4.861 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.750 7.134 0.431 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.664 7.868 -0.859 1.00 0.00 C ATOM 1023 C ALA A 64 -5.967 6.896 -1.997 1.00 0.00 C ATOM 1024 O ALA A 64 -6.559 7.250 -2.997 1.00 0.00 O ATOM 1025 CB ALA A 64 -4.223 8.366 -0.945 1.00 0.00 C ATOM 0 H ALA A 64 -4.867 7.029 0.931 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.371 8.695 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.084 8.919 -1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.013 9.020 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.542 7.515 -0.924 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.565 5.664 -1.840 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.826 4.647 -2.894 1.00 0.00 C ATOM 1033 C TYR A 65 -7.333 4.473 -3.083 1.00 0.00 C ATOM 1034 O TYR A 65 -7.830 4.401 -4.188 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.209 3.359 -2.349 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.779 2.176 -3.091 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -6.950 1.548 -2.631 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -5.138 1.712 -4.245 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -7.468 0.452 -3.336 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -5.658 0.622 -4.945 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.821 -0.010 -4.493 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.328 -1.087 -5.187 1.00 0.00 O ATOM 0 H TYR A 65 -5.064 5.318 -1.022 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.408 4.927 -3.861 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -4.125 3.386 -2.463 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.415 3.267 -1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.447 1.907 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.239 2.198 -4.595 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.366 -0.037 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.162 0.266 -5.836 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.306 -1.089 -5.120 1.00 0.00 H new ATOM 1052 N LYS A 66 -8.059 4.401 -2.006 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.531 4.228 -2.110 1.00 0.00 C ATOM 1054 C LYS A 66 -10.186 5.519 -2.613 1.00 0.00 C ATOM 1055 O LYS A 66 -11.177 5.488 -3.316 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.982 3.913 -0.689 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.970 2.407 -0.466 1.00 0.00 C ATOM 1058 CD LYS A 66 -9.687 2.122 1.004 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.680 2.874 1.886 1.00 0.00 C ATOM 1060 NZ LYS A 66 -9.984 3.044 3.192 1.00 0.00 N ATOM 0 H LYS A 66 -7.695 4.455 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.810 3.443 -2.813 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.322 4.401 0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.984 4.307 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.929 1.977 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.210 1.940 -1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.758 1.051 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.669 2.423 1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.943 3.838 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.607 2.313 2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.681 3.013 3.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.293 2.278 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.492 3.960 3.206 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.646 6.652 -2.255 1.00 0.00 N ATOM 1075 CA VAL A 67 -10.245 7.940 -2.710 1.00 0.00 C ATOM 1076 C VAL A 67 -9.995 8.147 -4.206 1.00 0.00 C ATOM 1077 O VAL A 67 -10.763 8.793 -4.890 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.536 9.020 -1.894 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -10.108 10.390 -2.257 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.752 8.758 -0.402 1.00 0.00 C ATOM 0 H VAL A 67 -8.817 6.742 -1.668 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.325 7.963 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.469 9.000 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.603 11.161 -1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.955 10.578 -3.320 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.175 10.409 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.246 9.529 0.180 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.819 8.778 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.345 7.781 -0.142 1.00 0.00 H new