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 Set 1.1: A 38 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.047) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A 14 LYS NZ :NH3+ 173:sc= -0.0741! (180deg=-0.361!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) 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+ 140:sc= -0.401 (180deg=-2.01) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0387 USER MOD Single : A 33 ASN : amide:sc= -1.86 K(o=-1.9,f=-8.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0.347 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -151:sc= -0.375 (180deg=-1.46!) USER MOD Single : A 45 ASN : amide:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 49 TYR OH : rot -8:sc= -3.08! 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+ -171:sc= 0.934 (180deg=0.732) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0.012) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 65 TYR OH : rot 29:sc= 0.917 USER MOD Single : A 66 LYS NZ :NH3+ -106:sc= 0.701 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 137 N TRP A 11 13.454 0.201 -1.487 1.00 0.00 N ATOM 138 CA TRP A 11 13.013 1.607 -1.721 1.00 0.00 C ATOM 139 C TRP A 11 14.069 2.584 -1.197 1.00 0.00 C ATOM 140 O TRP A 11 14.659 2.375 -0.156 1.00 0.00 O ATOM 141 CB TRP A 11 11.706 1.748 -0.939 1.00 0.00 C ATOM 142 CG TRP A 11 10.599 1.098 -1.703 1.00 0.00 C ATOM 143 CD1 TRP A 11 9.862 1.699 -2.665 1.00 0.00 C ATOM 144 CD2 TRP A 11 10.090 -0.262 -1.589 1.00 0.00 C ATOM 145 NE1 TRP A 11 8.933 0.795 -3.149 1.00 0.00 N ATOM 146 CE2 TRP A 11 9.035 -0.428 -2.516 1.00 0.00 C ATOM 147 CE3 TRP A 11 10.438 -1.358 -0.780 1.00 0.00 C ATOM 148 CZ2 TRP A 11 8.349 -1.638 -2.635 1.00 0.00 C ATOM 149 CZ3 TRP A 11 9.751 -2.576 -0.898 1.00 0.00 C ATOM 150 CH2 TRP A 11 8.710 -2.715 -1.823 1.00 0.00 C ATOM 0 HA TRP A 11 12.876 1.829 -2.779 1.00 0.00 H new ATOM 0 HB2 TRP A 11 11.805 1.286 0.043 1.00 0.00 H new ATOM 0 HB3 TRP A 11 11.480 2.801 -0.774 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.980 2.719 -3.001 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.256 1.006 -3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 11 11.240 -1.262 -0.063 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 7.546 -1.740 -3.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 10.027 -3.411 -0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 11 8.186 -3.655 -1.909 1.00 0.00 H new ATOM 161 N ASN A 12 14.317 3.646 -1.915 1.00 0.00 N ATOM 162 CA ASN A 12 15.342 4.630 -1.459 1.00 0.00 C ATOM 163 C ASN A 12 14.686 5.969 -1.111 1.00 0.00 C ATOM 164 O ASN A 12 15.046 6.614 -0.145 1.00 0.00 O ATOM 165 CB ASN A 12 16.284 4.797 -2.654 1.00 0.00 C ATOM 166 CG ASN A 12 17.446 3.809 -2.535 1.00 0.00 C ATOM 167 OD1 ASN A 12 17.883 3.497 -1.447 1.00 0.00 O ATOM 168 ND2 ASN A 12 17.969 3.303 -3.619 1.00 0.00 N ATOM 0 H ASN A 12 13.856 3.875 -2.795 1.00 0.00 H new ATOM 0 HA ASN A 12 15.863 4.292 -0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.742 4.626 -3.584 1.00 0.00 H new ATOM 0 HB3 ASN A 12 16.664 5.818 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 12 18.745 2.645 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 12 17.601 3.566 -4.533 1.00 0.00 H new ATOM 175 N THR A 13 13.734 6.396 -1.893 1.00 0.00 N ATOM 176 CA THR A 13 13.064 7.699 -1.610 1.00 0.00 C ATOM 177 C THR A 13 11.648 7.475 -1.075 1.00 0.00 C ATOM 178 O THR A 13 11.068 6.420 -1.240 1.00 0.00 O ATOM 179 CB THR A 13 13.018 8.415 -2.960 1.00 0.00 C ATOM 180 OG1 THR A 13 12.872 7.455 -3.998 1.00 0.00 O ATOM 181 CG2 THR A 13 14.313 9.202 -3.165 1.00 0.00 C ATOM 0 H THR A 13 13.390 5.901 -2.716 1.00 0.00 H new ATOM 0 HA THR A 13 13.594 8.276 -0.853 1.00 0.00 H new ATOM 0 HB THR A 13 12.172 9.102 -2.980 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.841 7.912 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.280 9.712 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 13 14.422 9.937 -2.368 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.161 8.518 -3.146 1.00 0.00 H new ATOM 189 N LYS A 14 11.087 8.466 -0.437 1.00 0.00 N ATOM 190 CA LYS A 14 9.708 8.321 0.109 1.00 0.00 C ATOM 191 C LYS A 14 8.701 8.162 -1.035 1.00 0.00 C ATOM 192 O LYS A 14 7.747 7.417 -0.934 1.00 0.00 O ATOM 193 CB LYS A 14 9.448 9.619 0.875 1.00 0.00 C ATOM 194 CG LYS A 14 8.189 9.467 1.731 1.00 0.00 C ATOM 195 CD LYS A 14 8.423 8.402 2.804 1.00 0.00 C ATOM 196 CE LYS A 14 8.091 8.983 4.181 1.00 0.00 C ATOM 197 NZ LYS A 14 6.917 8.200 4.657 1.00 0.00 N ATOM 0 H LYS A 14 11.526 9.372 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 14 9.606 7.443 0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.303 9.857 1.507 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.327 10.447 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.938 10.419 2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.343 9.186 1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.801 7.529 2.606 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.460 8.067 2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.934 8.885 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.856 10.045 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.704 8.458 5.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.093 8.411 4.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.133 7.184 4.604 1.00 0.00 H new ATOM 211 N GLU A 15 8.907 8.856 -2.121 1.00 0.00 N ATOM 212 CA GLU A 15 7.960 8.741 -3.268 1.00 0.00 C ATOM 213 C GLU A 15 7.920 7.300 -3.775 1.00 0.00 C ATOM 214 O GLU A 15 6.867 6.741 -4.012 1.00 0.00 O ATOM 215 CB GLU A 15 8.519 9.674 -4.344 1.00 0.00 C ATOM 216 CG GLU A 15 7.848 9.364 -5.684 1.00 0.00 C ATOM 217 CD GLU A 15 8.439 10.259 -6.774 1.00 0.00 C ATOM 218 OE1 GLU A 15 8.724 11.408 -6.479 1.00 0.00 O ATOM 219 OE2 GLU A 15 8.598 9.780 -7.885 1.00 0.00 O ATOM 0 H GLU A 15 9.688 9.496 -2.264 1.00 0.00 H new ATOM 0 HA GLU A 15 6.941 9.009 -2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.341 10.713 -4.068 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.598 9.546 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.995 8.315 -5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.773 9.526 -5.610 1.00 0.00 H new ATOM 226 N GLU A 16 9.061 6.696 -3.939 1.00 0.00 N ATOM 227 CA GLU A 16 9.098 5.289 -4.426 1.00 0.00 C ATOM 228 C GLU A 16 8.373 4.378 -3.439 1.00 0.00 C ATOM 229 O GLU A 16 7.569 3.548 -3.813 1.00 0.00 O ATOM 230 CB GLU A 16 10.583 4.932 -4.493 1.00 0.00 C ATOM 231 CG GLU A 16 11.110 5.206 -5.902 1.00 0.00 C ATOM 232 CD GLU A 16 10.831 3.996 -6.796 1.00 0.00 C ATOM 233 OE1 GLU A 16 11.368 2.938 -6.511 1.00 0.00 O ATOM 234 OE2 GLU A 16 10.085 4.148 -7.748 1.00 0.00 O ATOM 0 H GLU A 16 9.973 7.116 -3.757 1.00 0.00 H new ATOM 0 HA GLU A 16 8.608 5.170 -5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.142 5.518 -3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.728 3.882 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.631 6.094 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.181 5.407 -5.868 1.00 0.00 H new ATOM 241 N ALA A 17 8.653 4.532 -2.178 1.00 0.00 N ATOM 242 CA ALA A 17 7.984 3.681 -1.155 1.00 0.00 C ATOM 243 C ALA A 17 6.466 3.883 -1.218 1.00 0.00 C ATOM 244 O ALA A 17 5.699 2.937 -1.245 1.00 0.00 O ATOM 245 CB ALA A 17 8.541 4.173 0.181 1.00 0.00 C ATOM 0 H ALA A 17 9.318 5.212 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 17 8.168 2.617 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.099 3.597 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.623 4.046 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.298 5.228 0.310 1.00 0.00 H new ATOM 251 N LYS A 18 6.028 5.111 -1.256 1.00 0.00 N ATOM 252 CA LYS A 18 4.565 5.372 -1.333 1.00 0.00 C ATOM 253 C LYS A 18 4.032 4.824 -2.653 1.00 0.00 C ATOM 254 O LYS A 18 2.911 4.364 -2.745 1.00 0.00 O ATOM 255 CB LYS A 18 4.429 6.894 -1.291 1.00 0.00 C ATOM 256 CG LYS A 18 3.111 7.271 -0.612 1.00 0.00 C ATOM 257 CD LYS A 18 3.172 8.730 -0.155 1.00 0.00 C ATOM 258 CE LYS A 18 1.760 9.317 -0.130 1.00 0.00 C ATOM 259 NZ LYS A 18 1.819 10.410 0.878 1.00 0.00 N ATOM 0 H LYS A 18 6.619 5.942 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 18 4.006 4.899 -0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.268 7.330 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.459 7.300 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.280 7.130 -1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.930 6.618 0.242 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.621 8.793 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.805 9.307 -0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.473 9.698 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.023 8.563 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.886 10.863 0.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.088 10.016 1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.524 11.116 0.584 1.00 0.00 H new ATOM 273 N GLN A 19 4.840 4.867 -3.675 1.00 0.00 N ATOM 274 CA GLN A 19 4.402 4.347 -4.998 1.00 0.00 C ATOM 275 C GLN A 19 4.165 2.838 -4.914 1.00 0.00 C ATOM 276 O GLN A 19 3.168 2.333 -5.392 1.00 0.00 O ATOM 277 CB GLN A 19 5.561 4.660 -5.946 1.00 0.00 C ATOM 278 CG GLN A 19 5.311 3.992 -7.299 1.00 0.00 C ATOM 279 CD GLN A 19 4.873 5.048 -8.314 1.00 0.00 C ATOM 280 OE1 GLN A 19 5.653 5.472 -9.144 1.00 0.00 O ATOM 281 NE2 GLN A 19 3.648 5.495 -8.283 1.00 0.00 N ATOM 0 H GLN A 19 5.788 5.242 -3.650 1.00 0.00 H new ATOM 0 HA GLN A 19 3.468 4.797 -5.336 1.00 0.00 H new ATOM 0 HB2 GLN A 19 5.659 5.738 -6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.499 4.303 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.217 3.494 -7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.543 3.225 -7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.993 5.140 -7.587 1.00 0.00 H new ATOM 0 HE22 GLN A 19 3.345 6.200 -8.955 1.00 0.00 H new ATOM 290 N ALA A 20 5.066 2.112 -4.306 1.00 0.00 N ATOM 291 CA ALA A 20 4.866 0.638 -4.200 1.00 0.00 C ATOM 292 C ALA A 20 3.633 0.349 -3.347 1.00 0.00 C ATOM 293 O ALA A 20 2.891 -0.574 -3.609 1.00 0.00 O ATOM 294 CB ALA A 20 6.130 0.092 -3.532 1.00 0.00 C ATOM 0 H ALA A 20 5.922 2.471 -3.883 1.00 0.00 H new ATOM 0 HA ALA A 20 4.705 0.172 -5.172 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.047 -0.989 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.998 0.330 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.247 0.546 -2.548 1.00 0.00 H new ATOM 300 N PHE A 21 3.403 1.136 -2.333 1.00 0.00 N ATOM 301 CA PHE A 21 2.207 0.900 -1.473 1.00 0.00 C ATOM 302 C PHE A 21 0.922 1.164 -2.266 1.00 0.00 C ATOM 303 O PHE A 21 -0.014 0.386 -2.230 1.00 0.00 O ATOM 304 CB PHE A 21 2.346 1.894 -0.319 1.00 0.00 C ATOM 305 CG PHE A 21 1.494 1.440 0.841 1.00 0.00 C ATOM 306 CD1 PHE A 21 2.030 0.586 1.815 1.00 0.00 C ATOM 307 CD2 PHE A 21 0.168 1.874 0.945 1.00 0.00 C ATOM 308 CE1 PHE A 21 1.239 0.167 2.891 1.00 0.00 C ATOM 309 CE2 PHE A 21 -0.623 1.455 2.020 1.00 0.00 C ATOM 310 CZ PHE A 21 -0.088 0.602 2.993 1.00 0.00 C ATOM 0 H PHE A 21 3.986 1.928 -2.063 1.00 0.00 H new ATOM 0 HA PHE A 21 2.150 -0.129 -1.117 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.389 1.967 -0.011 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.039 2.889 -0.642 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.054 0.251 1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.245 2.533 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.652 -0.491 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.647 1.790 2.099 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.699 0.279 3.823 1.00 0.00 H new ATOM 320 N LYS A 22 0.868 2.246 -2.998 1.00 0.00 N ATOM 321 CA LYS A 22 -0.357 2.533 -3.798 1.00 0.00 C ATOM 322 C LYS A 22 -0.484 1.500 -4.911 1.00 0.00 C ATOM 323 O LYS A 22 -1.528 0.912 -5.113 1.00 0.00 O ATOM 324 CB LYS A 22 -0.149 3.928 -4.382 1.00 0.00 C ATOM 325 CG LYS A 22 -0.659 4.972 -3.391 1.00 0.00 C ATOM 326 CD LYS A 22 -0.840 6.312 -4.105 1.00 0.00 C ATOM 327 CE LYS A 22 -0.029 7.389 -3.383 1.00 0.00 C ATOM 328 NZ LYS A 22 -0.824 8.638 -3.541 1.00 0.00 N ATOM 0 H LYS A 22 1.613 2.938 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.266 2.488 -3.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.908 4.094 -4.590 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.679 4.020 -5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.606 4.647 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.046 5.080 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.514 6.230 -5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.895 6.587 -4.123 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.110 7.140 -2.331 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.964 7.495 -3.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.332 9.425 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.935 8.854 -4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.762 8.510 -3.110 1.00 0.00 H new ATOM 342 N GLU A 23 0.580 1.258 -5.627 1.00 0.00 N ATOM 343 CA GLU A 23 0.521 0.243 -6.709 1.00 0.00 C ATOM 344 C GLU A 23 0.192 -1.111 -6.088 1.00 0.00 C ATOM 345 O GLU A 23 -0.451 -1.948 -6.689 1.00 0.00 O ATOM 346 CB GLU A 23 1.916 0.239 -7.335 1.00 0.00 C ATOM 347 CG GLU A 23 1.843 -0.376 -8.734 1.00 0.00 C ATOM 348 CD GLU A 23 3.163 -0.136 -9.469 1.00 0.00 C ATOM 349 OE1 GLU A 23 4.074 -0.925 -9.282 1.00 0.00 O ATOM 350 OE2 GLU A 23 3.240 0.832 -10.207 1.00 0.00 O ATOM 0 H GLU A 23 1.482 1.718 -5.508 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.240 0.456 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.304 1.256 -7.393 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.605 -0.330 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.644 -1.445 -8.662 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.018 0.065 -9.294 1.00 0.00 H new ATOM 357 N LEU A 24 0.615 -1.319 -4.868 1.00 0.00 N ATOM 358 CA LEU A 24 0.314 -2.604 -4.184 1.00 0.00 C ATOM 359 C LEU A 24 -1.200 -2.758 -4.054 1.00 0.00 C ATOM 360 O LEU A 24 -1.769 -3.761 -4.438 1.00 0.00 O ATOM 361 CB LEU A 24 0.959 -2.473 -2.803 1.00 0.00 C ATOM 362 CG LEU A 24 0.706 -3.739 -1.990 1.00 0.00 C ATOM 363 CD1 LEU A 24 0.978 -4.971 -2.854 1.00 0.00 C ATOM 364 CD2 LEU A 24 1.647 -3.750 -0.781 1.00 0.00 C ATOM 0 H LEU A 24 1.156 -0.652 -4.318 1.00 0.00 H new ATOM 0 HA LEU A 24 0.690 -3.473 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.031 -2.305 -2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.550 -1.608 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.331 -3.757 -1.656 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.796 -5.873 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.317 -4.961 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.015 -4.959 -3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.474 -4.651 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.681 -3.734 -1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.456 -2.872 -0.164 1.00 0.00 H new ATOM 376 N LEU A 25 -1.861 -1.760 -3.532 1.00 0.00 N ATOM 377 CA LEU A 25 -3.342 -1.840 -3.397 1.00 0.00 C ATOM 378 C LEU A 25 -3.977 -2.023 -4.779 1.00 0.00 C ATOM 379 O LEU A 25 -4.919 -2.775 -4.946 1.00 0.00 O ATOM 380 CB LEU A 25 -3.759 -0.504 -2.787 1.00 0.00 C ATOM 381 CG LEU A 25 -3.773 -0.616 -1.265 1.00 0.00 C ATOM 382 CD1 LEU A 25 -2.873 0.462 -0.662 1.00 0.00 C ATOM 383 CD2 LEU A 25 -5.202 -0.420 -0.762 1.00 0.00 C ATOM 0 H LEU A 25 -1.439 -0.895 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.661 -2.681 -2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.068 0.280 -3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.747 -0.220 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.407 -1.599 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.885 0.380 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.854 0.330 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.238 1.446 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.219 -0.499 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.561 0.565 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.847 -1.186 -1.192 1.00 0.00 H new ATOM 395 N LYS A 26 -3.460 -1.348 -5.772 1.00 0.00 N ATOM 396 CA LYS A 26 -4.024 -1.493 -7.143 1.00 0.00 C ATOM 397 C LYS A 26 -3.873 -2.943 -7.606 1.00 0.00 C ATOM 398 O LYS A 26 -4.787 -3.534 -8.146 1.00 0.00 O ATOM 399 CB LYS A 26 -3.189 -0.558 -8.021 1.00 0.00 C ATOM 400 CG LYS A 26 -4.081 0.065 -9.096 1.00 0.00 C ATOM 401 CD LYS A 26 -3.266 0.294 -10.370 1.00 0.00 C ATOM 402 CE LYS A 26 -4.091 1.116 -11.364 1.00 0.00 C ATOM 403 NZ LYS A 26 -4.918 0.118 -12.098 1.00 0.00 N ATOM 0 H LYS A 26 -2.673 -0.704 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.084 -1.245 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.737 0.224 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.373 -1.111 -8.486 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.926 -0.590 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.491 1.010 -8.740 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.339 0.815 -10.132 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.989 -0.662 -10.814 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.717 1.845 -10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.448 1.673 -12.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.512 0.607 -12.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.295 -0.559 -12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.525 -0.392 -11.425 1.00 0.00 H new ATOM 417 N GLU A 27 -2.725 -3.525 -7.383 1.00 0.00 N ATOM 418 CA GLU A 27 -2.513 -4.941 -7.791 1.00 0.00 C ATOM 419 C GLU A 27 -3.399 -5.850 -6.940 1.00 0.00 C ATOM 420 O GLU A 27 -3.826 -6.904 -7.368 1.00 0.00 O ATOM 421 CB GLU A 27 -1.035 -5.213 -7.511 1.00 0.00 C ATOM 422 CG GLU A 27 -0.719 -6.679 -7.813 1.00 0.00 C ATOM 423 CD GLU A 27 -0.446 -6.844 -9.308 1.00 0.00 C ATOM 424 OE1 GLU A 27 -0.858 -5.981 -10.064 1.00 0.00 O ATOM 425 OE2 GLU A 27 0.171 -7.832 -9.671 1.00 0.00 O ATOM 0 H GLU A 27 -1.925 -3.079 -6.935 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.765 -5.125 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.412 -4.562 -8.124 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.804 -4.987 -6.470 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.148 -7.001 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.555 -7.311 -7.513 1.00 0.00 H new ATOM 432 N LYS A 28 -3.685 -5.435 -5.739 1.00 0.00 N ATOM 433 CA LYS A 28 -4.555 -6.249 -4.847 1.00 0.00 C ATOM 434 C LYS A 28 -6.024 -5.992 -5.183 1.00 0.00 C ATOM 435 O LYS A 28 -6.916 -6.584 -4.610 1.00 0.00 O ATOM 436 CB LYS A 28 -4.234 -5.760 -3.432 1.00 0.00 C ATOM 437 CG LYS A 28 -3.112 -6.610 -2.832 1.00 0.00 C ATOM 438 CD LYS A 28 -1.779 -6.252 -3.491 1.00 0.00 C ATOM 439 CE LYS A 28 -0.858 -7.475 -3.473 1.00 0.00 C ATOM 440 NZ LYS A 28 -0.102 -7.403 -4.755 1.00 0.00 N ATOM 0 H LYS A 28 -3.351 -4.560 -5.334 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.382 -7.320 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.934 -4.712 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.124 -5.821 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.053 -6.443 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.328 -7.668 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.945 -5.923 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.310 -5.422 -2.962 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.185 -7.451 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.430 -8.400 -3.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.888 -7.675 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.529 -8.052 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.137 -6.431 -5.125 1.00 0.00 H new ATOM 454 N ARG A 29 -6.280 -5.109 -6.109 1.00 0.00 N ATOM 455 CA ARG A 29 -7.688 -4.808 -6.484 1.00 0.00 C ATOM 456 C ARG A 29 -8.472 -4.355 -5.252 1.00 0.00 C ATOM 457 O ARG A 29 -9.655 -4.608 -5.129 1.00 0.00 O ATOM 458 CB ARG A 29 -8.246 -6.124 -7.027 1.00 0.00 C ATOM 459 CG ARG A 29 -7.920 -6.238 -8.518 1.00 0.00 C ATOM 460 CD ARG A 29 -8.760 -7.355 -9.143 1.00 0.00 C ATOM 461 NE ARG A 29 -9.299 -6.770 -10.402 1.00 0.00 N ATOM 462 CZ ARG A 29 -8.979 -7.290 -11.555 1.00 0.00 C ATOM 463 NH1 ARG A 29 -8.955 -8.588 -11.702 1.00 0.00 N ATOM 464 NH2 ARG A 29 -8.681 -6.513 -12.561 1.00 0.00 N ATOM 0 H ARG A 29 -5.573 -4.583 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.760 -4.006 -7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.816 -6.966 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.325 -6.165 -6.875 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.125 -5.292 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.859 -6.448 -8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.155 -8.239 -9.345 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.564 -7.665 -8.476 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.919 -5.961 -10.363 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.186 -9.195 -10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.705 -8.995 -12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.698 -5.500 -12.445 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.431 -6.919 -13.463 1.00 0.00 H new ATOM 478 N VAL A 30 -7.824 -3.684 -4.338 1.00 0.00 N ATOM 479 CA VAL A 30 -8.541 -3.215 -3.118 1.00 0.00 C ATOM 480 C VAL A 30 -9.647 -2.231 -3.512 1.00 0.00 C ATOM 481 O VAL A 30 -9.404 -1.282 -4.229 1.00 0.00 O ATOM 482 CB VAL A 30 -7.478 -2.513 -2.273 1.00 0.00 C ATOM 483 CG1 VAL A 30 -8.130 -1.921 -1.022 1.00 0.00 C ATOM 484 CG2 VAL A 30 -6.407 -3.522 -1.854 1.00 0.00 C ATOM 0 H VAL A 30 -6.834 -3.441 -4.383 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.013 -4.033 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.019 -1.717 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.372 -1.420 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.894 -1.201 -1.316 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.589 -2.719 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.650 -3.020 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.867 -4.319 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.940 -3.947 -2.743 1.00 0.00 H new ATOM 494 N PRO A 31 -10.830 -2.494 -3.029 1.00 0.00 N ATOM 495 CA PRO A 31 -11.984 -1.617 -3.337 1.00 0.00 C ATOM 496 C PRO A 31 -11.887 -0.314 -2.541 1.00 0.00 C ATOM 497 O PRO A 31 -11.118 -0.203 -1.606 1.00 0.00 O ATOM 498 CB PRO A 31 -13.188 -2.440 -2.892 1.00 0.00 C ATOM 499 CG PRO A 31 -12.660 -3.374 -1.850 1.00 0.00 C ATOM 500 CD PRO A 31 -11.204 -3.615 -2.161 1.00 0.00 C ATOM 0 HA PRO A 31 -12.038 -1.329 -4.387 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -13.974 -1.802 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -13.622 -2.988 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -12.774 -2.944 -0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -13.215 -4.312 -1.858 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.601 -3.634 -1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.057 -4.572 -2.661 1.00 0.00 H new ATOM 508 N SER A 32 -12.657 0.673 -2.903 1.00 0.00 N ATOM 509 CA SER A 32 -12.606 1.968 -2.166 1.00 0.00 C ATOM 510 C SER A 32 -13.283 1.826 -0.801 1.00 0.00 C ATOM 511 O SER A 32 -13.225 2.715 0.025 1.00 0.00 O ATOM 512 CB SER A 32 -13.372 2.956 -3.042 1.00 0.00 C ATOM 513 OG SER A 32 -13.916 3.985 -2.225 1.00 0.00 O ATOM 0 H SER A 32 -13.320 0.640 -3.677 1.00 0.00 H new ATOM 0 HA SER A 32 -11.583 2.296 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.708 3.385 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.170 2.442 -3.578 1.00 0.00 H new ATOM 0 HG SER A 32 -14.407 4.622 -2.785 1.00 0.00 H new ATOM 519 N ASN A 33 -13.926 0.718 -0.554 1.00 0.00 N ATOM 520 CA ASN A 33 -14.604 0.535 0.759 1.00 0.00 C ATOM 521 C ASN A 33 -13.871 -0.513 1.601 1.00 0.00 C ATOM 522 O ASN A 33 -14.371 -0.971 2.609 1.00 0.00 O ATOM 523 CB ASN A 33 -16.014 0.054 0.414 1.00 0.00 C ATOM 524 CG ASN A 33 -15.966 -1.411 -0.026 1.00 0.00 C ATOM 525 OD1 ASN A 33 -14.967 -1.868 -0.545 1.00 0.00 O ATOM 526 ND2 ASN A 33 -17.009 -2.172 0.163 1.00 0.00 N ATOM 0 H ASN A 33 -14.011 -0.065 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 33 -14.617 1.455 1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -16.668 0.163 1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -16.434 0.669 -0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.985 -3.150 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.848 -1.789 0.599 1.00 0.00 H new ATOM 533 N ALA A 34 -12.690 -0.899 1.198 1.00 0.00 N ATOM 534 CA ALA A 34 -11.936 -1.919 1.986 1.00 0.00 C ATOM 535 C ALA A 34 -11.501 -1.338 3.330 1.00 0.00 C ATOM 536 O ALA A 34 -11.161 -0.176 3.434 1.00 0.00 O ATOM 537 CB ALA A 34 -10.703 -2.258 1.142 1.00 0.00 C ATOM 0 H ALA A 34 -12.216 -0.555 0.363 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.546 -2.798 2.193 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -10.101 -3.004 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.020 -2.655 0.178 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -10.110 -1.357 0.986 1.00 0.00 H new ATOM 543 N SER A 35 -11.489 -2.141 4.353 1.00 0.00 N ATOM 544 CA SER A 35 -11.049 -1.640 5.683 1.00 0.00 C ATOM 545 C SER A 35 -9.530 -1.755 5.766 1.00 0.00 C ATOM 546 O SER A 35 -8.936 -2.598 5.124 1.00 0.00 O ATOM 547 CB SER A 35 -11.711 -2.565 6.703 1.00 0.00 C ATOM 548 OG SER A 35 -11.202 -3.883 6.538 1.00 0.00 O ATOM 0 H SER A 35 -11.765 -3.123 4.327 1.00 0.00 H new ATOM 0 HA SER A 35 -11.322 -0.599 5.859 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.515 -2.210 7.715 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.793 -2.560 6.568 1.00 0.00 H new ATOM 0 HG SER A 35 -11.622 -4.480 7.191 1.00 0.00 H new ATOM 554 N TRP A 36 -8.884 -0.929 6.537 1.00 0.00 N ATOM 555 CA TRP A 36 -7.405 -1.042 6.611 1.00 0.00 C ATOM 556 C TRP A 36 -7.023 -2.499 6.870 1.00 0.00 C ATOM 557 O TRP A 36 -6.010 -2.969 6.408 1.00 0.00 O ATOM 558 CB TRP A 36 -6.963 -0.161 7.778 1.00 0.00 C ATOM 559 CG TRP A 36 -5.515 -0.426 8.050 1.00 0.00 C ATOM 560 CD1 TRP A 36 -4.977 -0.653 9.270 1.00 0.00 C ATOM 561 CD2 TRP A 36 -4.415 -0.506 7.096 1.00 0.00 C ATOM 562 NE1 TRP A 36 -3.617 -0.870 9.125 1.00 0.00 N ATOM 563 CE2 TRP A 36 -3.222 -0.787 7.803 1.00 0.00 C ATOM 564 CE3 TRP A 36 -4.339 -0.362 5.698 1.00 0.00 C ATOM 565 CZ2 TRP A 36 -1.996 -0.922 7.144 1.00 0.00 C ATOM 566 CZ3 TRP A 36 -3.108 -0.495 5.035 1.00 0.00 C ATOM 567 CH2 TRP A 36 -1.940 -0.776 5.757 1.00 0.00 C ATOM 0 H TRP A 36 -9.305 -0.196 7.108 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.926 -0.727 5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.117 0.891 7.538 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.561 -0.377 8.664 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.519 -0.663 10.204 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.984 -1.067 9.900 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.233 -0.148 5.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.098 -1.138 7.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.061 -0.380 3.962 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.997 -0.879 5.240 1.00 0.00 H new ATOM 578 N GLU A 37 -7.830 -3.219 7.599 1.00 0.00 N ATOM 579 CA GLU A 37 -7.506 -4.647 7.877 1.00 0.00 C ATOM 580 C GLU A 37 -7.552 -5.465 6.580 1.00 0.00 C ATOM 581 O GLU A 37 -6.649 -6.222 6.282 1.00 0.00 O ATOM 582 CB GLU A 37 -8.588 -5.117 8.850 1.00 0.00 C ATOM 583 CG GLU A 37 -7.998 -5.213 10.260 1.00 0.00 C ATOM 584 CD GLU A 37 -9.125 -5.411 11.275 1.00 0.00 C ATOM 585 OE1 GLU A 37 -10.168 -4.802 11.099 1.00 0.00 O ATOM 586 OE2 GLU A 37 -8.926 -6.168 12.211 1.00 0.00 O ATOM 0 H GLU A 37 -8.699 -2.881 8.014 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.505 -4.770 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.427 -4.421 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.975 -6.087 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.295 -6.044 10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.439 -4.307 10.494 1.00 0.00 H new ATOM 593 N GLN A 38 -8.596 -5.317 5.808 1.00 0.00 N ATOM 594 CA GLN A 38 -8.696 -6.089 4.533 1.00 0.00 C ATOM 595 C GLN A 38 -7.676 -5.574 3.513 1.00 0.00 C ATOM 596 O GLN A 38 -6.984 -6.340 2.868 1.00 0.00 O ATOM 597 CB GLN A 38 -10.121 -5.843 4.036 1.00 0.00 C ATOM 598 CG GLN A 38 -11.087 -6.766 4.783 1.00 0.00 C ATOM 599 CD GLN A 38 -11.351 -8.016 3.943 1.00 0.00 C ATOM 600 OE1 GLN A 38 -11.184 -9.125 4.413 1.00 0.00 O ATOM 601 NE2 GLN A 38 -11.758 -7.885 2.711 1.00 0.00 N ATOM 0 H GLN A 38 -9.382 -4.697 6.004 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.488 -7.149 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.399 -4.801 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.181 -6.027 2.963 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.666 -7.046 5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -12.023 -6.245 4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.898 -6.955 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.936 -8.713 2.142 1.00 0.00 H new ATOM 610 N ALA A 39 -7.578 -4.283 3.364 1.00 0.00 N ATOM 611 CA ALA A 39 -6.605 -3.722 2.387 1.00 0.00 C ATOM 612 C ALA A 39 -5.173 -3.964 2.866 1.00 0.00 C ATOM 613 O ALA A 39 -4.282 -4.206 2.078 1.00 0.00 O ATOM 614 CB ALA A 39 -6.908 -2.224 2.341 1.00 0.00 C ATOM 0 H ALA A 39 -8.128 -3.593 3.875 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.693 -4.187 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.230 -1.737 1.640 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.937 -2.071 2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.773 -1.795 3.334 1.00 0.00 H new ATOM 620 N MET A 40 -4.946 -3.900 4.151 1.00 0.00 N ATOM 621 CA MET A 40 -3.568 -4.123 4.677 1.00 0.00 C ATOM 622 C MET A 40 -3.139 -5.574 4.466 1.00 0.00 C ATOM 623 O MET A 40 -2.057 -5.835 3.998 1.00 0.00 O ATOM 624 CB MET A 40 -3.643 -3.806 6.171 1.00 0.00 C ATOM 625 CG MET A 40 -2.310 -4.152 6.837 1.00 0.00 C ATOM 626 SD MET A 40 -2.578 -5.417 8.103 1.00 0.00 S ATOM 627 CE MET A 40 -3.155 -4.308 9.409 1.00 0.00 C ATOM 0 H MET A 40 -5.654 -3.703 4.858 1.00 0.00 H new ATOM 0 HA MET A 40 -2.838 -3.497 4.164 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.871 -2.750 6.318 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.450 -4.374 6.633 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.602 -4.513 6.091 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.873 -3.260 7.286 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.384 -4.887 10.304 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.377 -3.579 9.637 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.053 -3.788 9.074 1.00 0.00 H new ATOM 637 N LYS A 41 -3.967 -6.523 4.812 1.00 0.00 N ATOM 638 CA LYS A 41 -3.567 -7.947 4.618 1.00 0.00 C ATOM 639 C LYS A 41 -3.394 -8.244 3.125 1.00 0.00 C ATOM 640 O LYS A 41 -2.426 -8.856 2.707 1.00 0.00 O ATOM 641 CB LYS A 41 -4.704 -8.783 5.222 1.00 0.00 C ATOM 642 CG LYS A 41 -5.983 -8.608 4.402 1.00 0.00 C ATOM 643 CD LYS A 41 -7.103 -9.458 5.010 1.00 0.00 C ATOM 644 CE LYS A 41 -7.146 -9.250 6.525 1.00 0.00 C ATOM 645 NZ LYS A 41 -8.407 -9.912 6.964 1.00 0.00 N ATOM 0 H LYS A 41 -4.892 -6.377 5.216 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.615 -8.177 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.419 -9.835 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.880 -8.478 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.277 -7.558 4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.808 -8.905 3.368 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.061 -9.184 4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.937 -10.511 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.277 -9.694 7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.146 -8.190 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.510 -9.813 7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.217 -9.464 6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.374 -10.921 6.714 1.00 0.00 H new ATOM 659 N MET A 42 -4.322 -7.808 2.315 1.00 0.00 N ATOM 660 CA MET A 42 -4.211 -8.061 0.853 1.00 0.00 C ATOM 661 C MET A 42 -2.901 -7.483 0.316 1.00 0.00 C ATOM 662 O MET A 42 -2.318 -8.003 -0.615 1.00 0.00 O ATOM 663 CB MET A 42 -5.404 -7.335 0.232 1.00 0.00 C ATOM 664 CG MET A 42 -6.707 -7.936 0.764 1.00 0.00 C ATOM 665 SD MET A 42 -7.389 -9.081 -0.463 1.00 0.00 S ATOM 666 CE MET A 42 -7.764 -7.853 -1.738 1.00 0.00 C ATOM 0 H MET A 42 -5.151 -7.288 2.604 1.00 0.00 H new ATOM 0 HA MET A 42 -4.213 -9.126 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 42 -5.359 -6.272 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.369 -7.421 -0.854 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.522 -8.459 1.702 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.425 -7.144 0.977 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.611 -8.194 -2.333 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.011 -6.902 -1.266 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.896 -7.723 -2.384 1.00 0.00 H new ATOM 676 N ILE A 43 -2.437 -6.406 0.890 1.00 0.00 N ATOM 677 CA ILE A 43 -1.171 -5.791 0.401 1.00 0.00 C ATOM 678 C ILE A 43 0.030 -6.299 1.206 1.00 0.00 C ATOM 679 O ILE A 43 1.144 -6.323 0.720 1.00 0.00 O ATOM 680 CB ILE A 43 -1.360 -4.287 0.601 1.00 0.00 C ATOM 681 CG1 ILE A 43 -1.387 -3.958 2.092 1.00 0.00 C ATOM 682 CG2 ILE A 43 -2.677 -3.842 -0.036 1.00 0.00 C ATOM 683 CD1 ILE A 43 -1.369 -2.438 2.265 1.00 0.00 C ATOM 0 H ILE A 43 -2.879 -5.927 1.674 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.970 -6.044 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.529 -3.762 0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.279 -4.379 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.527 -4.404 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.807 -2.770 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.658 -4.064 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.505 -4.375 0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.388 -2.192 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.464 -2.031 1.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.243 -2.006 1.777 1.00 0.00 H new ATOM 695 N ILE A 44 -0.177 -6.715 2.423 1.00 0.00 N ATOM 696 CA ILE A 44 0.972 -7.220 3.226 1.00 0.00 C ATOM 697 C ILE A 44 1.503 -8.498 2.579 1.00 0.00 C ATOM 698 O ILE A 44 2.695 -8.720 2.502 1.00 0.00 O ATOM 699 CB ILE A 44 0.404 -7.484 4.634 1.00 0.00 C ATOM 700 CG1 ILE A 44 1.491 -7.207 5.675 1.00 0.00 C ATOM 701 CG2 ILE A 44 -0.060 -8.936 4.765 1.00 0.00 C ATOM 702 CD1 ILE A 44 0.859 -6.575 6.917 1.00 0.00 C ATOM 0 H ILE A 44 -1.082 -6.728 2.894 1.00 0.00 H new ATOM 0 HA ILE A 44 1.804 -6.518 3.277 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.450 -6.827 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.997 -8.134 5.943 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.246 -6.540 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.458 -9.102 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.837 -9.138 4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.784 -9.604 4.594 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.633 -6.378 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.373 -5.639 6.642 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.120 -7.258 7.337 1.00 0.00 H new ATOM 714 N ASN A 45 0.623 -9.330 2.089 1.00 0.00 N ATOM 715 CA ASN A 45 1.085 -10.580 1.422 1.00 0.00 C ATOM 716 C ASN A 45 2.178 -10.233 0.408 1.00 0.00 C ATOM 717 O ASN A 45 2.999 -11.055 0.052 1.00 0.00 O ATOM 718 CB ASN A 45 -0.149 -11.136 0.711 1.00 0.00 C ATOM 719 CG ASN A 45 -0.196 -12.655 0.881 1.00 0.00 C ATOM 720 OD1 ASN A 45 -0.163 -13.388 -0.088 1.00 0.00 O ATOM 721 ND2 ASN A 45 -0.271 -13.162 2.081 1.00 0.00 N ATOM 0 H ASN A 45 -0.388 -9.199 2.121 1.00 0.00 H new ATOM 0 HA ASN A 45 1.501 -11.304 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.052 -10.685 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.118 -10.879 -0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.302 -14.174 2.206 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.299 -12.546 2.894 1.00 0.00 H new ATOM 728 N ASP A 46 2.190 -9.010 -0.053 1.00 0.00 N ATOM 729 CA ASP A 46 3.222 -8.583 -1.040 1.00 0.00 C ATOM 730 C ASP A 46 4.336 -7.810 -0.326 1.00 0.00 C ATOM 731 O ASP A 46 4.084 -7.092 0.624 1.00 0.00 O ATOM 732 CB ASP A 46 2.474 -7.675 -2.017 1.00 0.00 C ATOM 733 CG ASP A 46 3.335 -7.433 -3.257 1.00 0.00 C ATOM 734 OD1 ASP A 46 4.282 -6.670 -3.157 1.00 0.00 O ATOM 735 OD2 ASP A 46 3.034 -8.016 -4.286 1.00 0.00 O ATOM 0 H ASP A 46 1.524 -8.285 0.214 1.00 0.00 H new ATOM 0 HA ASP A 46 3.693 -9.425 -1.547 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.528 -8.134 -2.303 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.236 -6.726 -1.537 1.00 0.00 H new ATOM 740 N PRO A 47 5.537 -7.982 -0.806 1.00 0.00 N ATOM 741 CA PRO A 47 6.704 -7.294 -0.199 1.00 0.00 C ATOM 742 C PRO A 47 6.570 -5.777 -0.348 1.00 0.00 C ATOM 743 O PRO A 47 7.252 -5.017 0.309 1.00 0.00 O ATOM 744 CB PRO A 47 7.893 -7.841 -0.990 1.00 0.00 C ATOM 745 CG PRO A 47 7.305 -8.301 -2.283 1.00 0.00 C ATOM 746 CD PRO A 47 5.926 -8.807 -1.954 1.00 0.00 C ATOM 0 HA PRO A 47 6.805 -7.472 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.650 -7.073 -1.150 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.378 -8.661 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.260 -7.484 -3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.913 -9.087 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.240 -8.682 -2.792 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.934 -9.868 -1.704 1.00 0.00 H new ATOM 754 N ARG A 48 5.682 -5.332 -1.195 1.00 0.00 N ATOM 755 CA ARG A 48 5.490 -3.869 -1.373 1.00 0.00 C ATOM 756 C ARG A 48 5.030 -3.241 -0.057 1.00 0.00 C ATOM 757 O ARG A 48 5.248 -2.072 0.193 1.00 0.00 O ATOM 758 CB ARG A 48 4.431 -3.749 -2.459 1.00 0.00 C ATOM 759 CG ARG A 48 5.032 -4.237 -3.775 1.00 0.00 C ATOM 760 CD ARG A 48 5.398 -3.037 -4.643 1.00 0.00 C ATOM 761 NE ARG A 48 4.100 -2.578 -5.197 1.00 0.00 N ATOM 762 CZ ARG A 48 4.000 -2.271 -6.460 1.00 0.00 C ATOM 763 NH1 ARG A 48 4.804 -1.386 -6.984 1.00 0.00 N ATOM 764 NH2 ARG A 48 3.100 -2.855 -7.203 1.00 0.00 N ATOM 0 H ARG A 48 5.081 -5.922 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 48 6.405 -3.347 -1.654 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.554 -4.342 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.100 -2.715 -2.554 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.917 -4.842 -3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.319 -4.874 -4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.880 -2.254 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.093 -3.316 -5.435 1.00 0.00 H new ATOM 0 HE ARG A 48 3.285 -2.503 -4.589 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.512 -0.934 -6.405 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.725 -1.147 -7.972 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.476 -3.551 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.021 -2.615 -8.191 1.00 0.00 H new ATOM 778 N TYR A 49 4.412 -4.011 0.798 1.00 0.00 N ATOM 779 CA TYR A 49 3.964 -3.450 2.104 1.00 0.00 C ATOM 780 C TYR A 49 5.183 -2.925 2.864 1.00 0.00 C ATOM 781 O TYR A 49 5.117 -1.942 3.584 1.00 0.00 O ATOM 782 CB TYR A 49 3.332 -4.631 2.844 1.00 0.00 C ATOM 783 CG TYR A 49 2.490 -4.121 3.985 1.00 0.00 C ATOM 784 CD1 TYR A 49 1.285 -3.468 3.719 1.00 0.00 C ATOM 785 CD2 TYR A 49 2.907 -4.307 5.307 1.00 0.00 C ATOM 786 CE1 TYR A 49 0.493 -3.003 4.770 1.00 0.00 C ATOM 787 CE2 TYR A 49 2.117 -3.840 6.362 1.00 0.00 C ATOM 788 CZ TYR A 49 0.908 -3.188 6.093 1.00 0.00 C ATOM 789 OH TYR A 49 0.127 -2.730 7.134 1.00 0.00 O ATOM 0 H TYR A 49 4.199 -4.998 0.650 1.00 0.00 H new ATOM 0 HA TYR A 49 3.261 -2.624 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 49 2.718 -5.216 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.110 -5.295 3.221 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.965 -3.322 2.698 1.00 0.00 H new ATOM 0 HD2 TYR A 49 3.839 -4.811 5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.440 -2.500 4.562 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.439 -3.982 7.383 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.606 -2.186 6.778 1.00 0.00 H new ATOM 799 N SER A 50 6.308 -3.562 2.686 1.00 0.00 N ATOM 800 CA SER A 50 7.537 -3.099 3.379 1.00 0.00 C ATOM 801 C SER A 50 7.995 -1.780 2.763 1.00 0.00 C ATOM 802 O SER A 50 8.889 -1.125 3.261 1.00 0.00 O ATOM 803 CB SER A 50 8.570 -4.200 3.136 1.00 0.00 C ATOM 804 OG SER A 50 9.532 -3.749 2.189 1.00 0.00 O ATOM 0 H SER A 50 6.426 -4.382 2.091 1.00 0.00 H new ATOM 0 HA SER A 50 7.384 -2.926 4.444 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.062 -4.465 4.072 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.078 -5.101 2.769 1.00 0.00 H new ATOM 0 HG SER A 50 10.195 -4.454 2.035 1.00 0.00 H new ATOM 810 N ALA A 51 7.366 -1.369 1.695 1.00 0.00 N ATOM 811 CA ALA A 51 7.744 -0.076 1.070 1.00 0.00 C ATOM 812 C ALA A 51 7.491 1.038 2.080 1.00 0.00 C ATOM 813 O ALA A 51 8.100 2.089 2.034 1.00 0.00 O ATOM 814 CB ALA A 51 6.824 0.069 -0.142 1.00 0.00 C ATOM 0 H ALA A 51 6.610 -1.873 1.232 1.00 0.00 H new ATOM 0 HA ALA A 51 8.792 -0.030 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 51 7.045 1.004 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.985 -0.767 -0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.785 0.073 0.188 1.00 0.00 H new ATOM 820 N LEU A 52 6.602 0.805 3.011 1.00 0.00 N ATOM 821 CA LEU A 52 6.319 1.843 4.043 1.00 0.00 C ATOM 822 C LEU A 52 6.618 1.269 5.429 1.00 0.00 C ATOM 823 O LEU A 52 6.002 0.318 5.867 1.00 0.00 O ATOM 824 CB LEU A 52 4.832 2.166 3.900 1.00 0.00 C ATOM 825 CG LEU A 52 4.594 3.017 2.648 1.00 0.00 C ATOM 826 CD1 LEU A 52 3.200 3.632 2.720 1.00 0.00 C ATOM 827 CD2 LEU A 52 5.630 4.140 2.572 1.00 0.00 C ATOM 0 H LEU A 52 6.062 -0.056 3.100 1.00 0.00 H new ATOM 0 HA LEU A 52 6.930 2.737 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.256 1.243 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.482 2.700 4.783 1.00 0.00 H new ATOM 0 HG LEU A 52 4.682 2.385 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.024 4.239 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.454 2.839 2.771 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.124 4.259 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.452 4.739 1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.546 4.773 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.630 3.710 2.527 1.00 0.00 H new ATOM 839 N ALA A 53 7.569 1.834 6.115 1.00 0.00 N ATOM 840 CA ALA A 53 7.927 1.316 7.467 1.00 0.00 C ATOM 841 C ALA A 53 6.908 1.775 8.513 1.00 0.00 C ATOM 842 O ALA A 53 6.696 1.119 9.513 1.00 0.00 O ATOM 843 CB ALA A 53 9.304 1.910 7.767 1.00 0.00 C ATOM 0 H ALA A 53 8.117 2.634 5.799 1.00 0.00 H new ATOM 0 HA ALA A 53 7.933 0.226 7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.639 1.575 8.749 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.015 1.581 7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.241 2.998 7.757 1.00 0.00 H new ATOM 849 N LYS A 54 6.284 2.900 8.299 1.00 0.00 N ATOM 850 CA LYS A 54 5.293 3.396 9.295 1.00 0.00 C ATOM 851 C LYS A 54 3.867 3.029 8.871 1.00 0.00 C ATOM 852 O LYS A 54 3.488 3.171 7.726 1.00 0.00 O ATOM 853 CB LYS A 54 5.474 4.914 9.306 1.00 0.00 C ATOM 854 CG LYS A 54 6.637 5.285 10.229 1.00 0.00 C ATOM 855 CD LYS A 54 6.199 5.140 11.687 1.00 0.00 C ATOM 856 CE LYS A 54 7.180 5.886 12.595 1.00 0.00 C ATOM 857 NZ LYS A 54 6.654 5.685 13.974 1.00 0.00 N ATOM 0 H LYS A 54 6.416 3.495 7.481 1.00 0.00 H new ATOM 0 HA LYS A 54 5.447 2.955 10.280 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.669 5.275 8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.558 5.397 9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.493 4.640 10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.957 6.309 10.035 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.193 5.539 11.816 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.162 4.086 11.963 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.190 5.489 12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.227 6.945 12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.274 6.168 14.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.694 6.079 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.627 4.668 14.190 1.00 0.00 H new ATOM 871 N LEU A 55 3.066 2.567 9.787 1.00 0.00 N ATOM 872 CA LEU A 55 1.668 2.213 9.422 1.00 0.00 C ATOM 873 C LEU A 55 0.879 3.490 9.130 1.00 0.00 C ATOM 874 O LEU A 55 -0.029 3.498 8.324 1.00 0.00 O ATOM 875 CB LEU A 55 1.094 1.480 10.633 1.00 0.00 C ATOM 876 CG LEU A 55 0.122 0.403 10.148 1.00 0.00 C ATOM 877 CD1 LEU A 55 -1.022 1.060 9.376 1.00 0.00 C ATOM 878 CD2 LEU A 55 0.859 -0.572 9.225 1.00 0.00 C ATOM 0 H LEU A 55 3.315 2.420 10.765 1.00 0.00 H new ATOM 0 HA LEU A 55 1.617 1.589 8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.897 1.028 11.215 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.581 2.182 11.290 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.278 -0.137 11.006 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.715 0.293 9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.548 1.757 10.028 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.620 1.599 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.167 -1.340 8.879 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.258 -0.030 8.367 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.678 -1.041 9.771 1.00 0.00 H new ATOM 890 N SER A 56 1.224 4.574 9.774 1.00 0.00 N ATOM 891 CA SER A 56 0.496 5.849 9.521 1.00 0.00 C ATOM 892 C SER A 56 0.594 6.197 8.037 1.00 0.00 C ATOM 893 O SER A 56 -0.383 6.557 7.407 1.00 0.00 O ATOM 894 CB SER A 56 1.216 6.895 10.370 1.00 0.00 C ATOM 895 OG SER A 56 0.444 8.088 10.400 1.00 0.00 O ATOM 0 H SER A 56 1.976 4.630 10.461 1.00 0.00 H new ATOM 0 HA SER A 56 -0.562 5.790 9.775 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.365 6.519 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.204 7.098 9.957 1.00 0.00 H new ATOM 0 HG SER A 56 0.903 8.761 10.946 1.00 0.00 H new ATOM 901 N GLU A 57 1.759 6.065 7.463 1.00 0.00 N ATOM 902 CA GLU A 57 1.902 6.356 6.010 1.00 0.00 C ATOM 903 C GLU A 57 1.219 5.239 5.221 1.00 0.00 C ATOM 904 O GLU A 57 0.597 5.472 4.204 1.00 0.00 O ATOM 905 CB GLU A 57 3.408 6.402 5.731 1.00 0.00 C ATOM 906 CG GLU A 57 4.074 5.123 6.235 1.00 0.00 C ATOM 907 CD GLU A 57 5.505 5.047 5.704 1.00 0.00 C ATOM 908 OE1 GLU A 57 5.922 5.984 5.043 1.00 0.00 O ATOM 909 OE2 GLU A 57 6.162 4.054 5.967 1.00 0.00 O ATOM 0 H GLU A 57 2.613 5.770 7.935 1.00 0.00 H new ATOM 0 HA GLU A 57 1.439 7.299 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.584 6.516 4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.850 7.269 6.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.078 5.108 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.507 4.252 5.907 1.00 0.00 H new ATOM 916 N LYS A 58 1.308 4.025 5.701 1.00 0.00 N ATOM 917 CA LYS A 58 0.638 2.898 4.994 1.00 0.00 C ATOM 918 C LYS A 58 -0.870 3.162 4.929 1.00 0.00 C ATOM 919 O LYS A 58 -1.510 2.939 3.921 1.00 0.00 O ATOM 920 CB LYS A 58 0.927 1.667 5.855 1.00 0.00 C ATOM 921 CG LYS A 58 2.363 1.204 5.615 1.00 0.00 C ATOM 922 CD LYS A 58 2.458 -0.306 5.837 1.00 0.00 C ATOM 923 CE LYS A 58 3.245 -0.591 7.120 1.00 0.00 C ATOM 924 NZ LYS A 58 4.438 -1.364 6.675 1.00 0.00 N ATOM 0 H LYS A 58 1.814 3.768 6.549 1.00 0.00 H new ATOM 0 HA LYS A 58 0.993 2.770 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.781 1.905 6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.229 0.866 5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.671 1.453 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 58 3.042 1.725 6.291 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.459 -0.736 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.948 -0.778 4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.537 0.334 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.648 -1.161 7.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.946 -1.727 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.133 -2.161 6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.069 -0.744 6.127 1.00 0.00 H new ATOM 938 N LYS A 59 -1.436 3.649 6.000 1.00 0.00 N ATOM 939 CA LYS A 59 -2.899 3.943 6.012 1.00 0.00 C ATOM 940 C LYS A 59 -3.193 5.155 5.125 1.00 0.00 C ATOM 941 O LYS A 59 -4.170 5.187 4.403 1.00 0.00 O ATOM 942 CB LYS A 59 -3.227 4.261 7.473 1.00 0.00 C ATOM 943 CG LYS A 59 -3.545 2.969 8.228 1.00 0.00 C ATOM 944 CD LYS A 59 -3.852 3.296 9.691 1.00 0.00 C ATOM 945 CE LYS A 59 -4.169 2.006 10.450 1.00 0.00 C ATOM 946 NZ LYS A 59 -3.650 2.234 11.827 1.00 0.00 N ATOM 0 H LYS A 59 -0.947 3.857 6.871 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.493 3.112 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.384 4.768 7.942 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.077 4.941 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.397 2.468 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.701 2.282 8.167 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.000 3.799 10.148 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.697 3.982 9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.241 1.807 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.689 1.145 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.830 1.392 12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.627 2.415 11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.130 3.055 12.247 1.00 0.00 H new ATOM 960 N GLN A 60 -2.352 6.153 5.174 1.00 0.00 N ATOM 961 CA GLN A 60 -2.581 7.361 4.334 1.00 0.00 C ATOM 962 C GLN A 60 -2.560 6.978 2.857 1.00 0.00 C ATOM 963 O GLN A 60 -3.381 7.416 2.075 1.00 0.00 O ATOM 964 CB GLN A 60 -1.414 8.291 4.654 1.00 0.00 C ATOM 965 CG GLN A 60 -1.894 9.403 5.580 1.00 0.00 C ATOM 966 CD GLN A 60 -0.695 10.216 6.072 1.00 0.00 C ATOM 967 OE1 GLN A 60 0.016 9.795 6.962 1.00 0.00 O ATOM 968 NE2 GLN A 60 -0.438 11.372 5.523 1.00 0.00 N ATOM 0 H GLN A 60 -1.517 6.183 5.759 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.545 7.829 4.535 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.607 7.731 5.127 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -1.011 8.716 3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.594 10.051 5.053 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.430 8.977 6.428 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.035 11.726 4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.360 11.922 5.841 1.00 0.00 H new ATOM 977 N ALA A 61 -1.629 6.154 2.474 1.00 0.00 N ATOM 978 CA ALA A 61 -1.554 5.727 1.050 1.00 0.00 C ATOM 979 C ALA A 61 -2.768 4.862 0.710 1.00 0.00 C ATOM 980 O ALA A 61 -3.350 4.984 -0.349 1.00 0.00 O ATOM 981 CB ALA A 61 -0.264 4.914 0.944 1.00 0.00 C ATOM 0 H ALA A 61 -0.915 5.757 3.085 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.554 6.570 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.138 4.563 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.584 5.540 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.317 4.058 1.617 1.00 0.00 H new ATOM 987 N PHE A 62 -3.161 3.998 1.606 1.00 0.00 N ATOM 988 CA PHE A 62 -4.346 3.139 1.331 1.00 0.00 C ATOM 989 C PHE A 62 -5.585 4.021 1.164 1.00 0.00 C ATOM 990 O PHE A 62 -6.377 3.838 0.259 1.00 0.00 O ATOM 991 CB PHE A 62 -4.490 2.247 2.563 1.00 0.00 C ATOM 992 CG PHE A 62 -5.841 1.577 2.533 1.00 0.00 C ATOM 993 CD1 PHE A 62 -6.447 1.280 1.307 1.00 0.00 C ATOM 994 CD2 PHE A 62 -6.491 1.260 3.730 1.00 0.00 C ATOM 995 CE1 PHE A 62 -7.699 0.665 1.274 1.00 0.00 C ATOM 996 CE2 PHE A 62 -7.747 0.642 3.700 1.00 0.00 C ATOM 997 CZ PHE A 62 -8.352 0.345 2.470 1.00 0.00 C ATOM 0 H PHE A 62 -2.715 3.851 2.512 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.234 2.551 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.699 1.497 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -4.385 2.841 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.944 1.528 0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.025 1.492 4.676 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -8.164 0.436 0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.250 0.394 4.623 1.00 0.00 H new ATOM 0 HZ PHE A 62 -9.321 -0.130 2.446 1.00 0.00 H new ATOM 1007 N ASN A 63 -5.749 4.989 2.024 1.00 0.00 N ATOM 1008 CA ASN A 63 -6.925 5.896 1.908 1.00 0.00 C ATOM 1009 C ASN A 63 -6.848 6.647 0.580 1.00 0.00 C ATOM 1010 O ASN A 63 -7.798 6.701 -0.180 1.00 0.00 O ATOM 1011 CB ASN A 63 -6.804 6.861 3.087 1.00 0.00 C ATOM 1012 CG ASN A 63 -8.169 7.491 3.374 1.00 0.00 C ATOM 1013 OD1 ASN A 63 -8.686 8.238 2.569 1.00 0.00 O ATOM 1014 ND2 ASN A 63 -8.775 7.219 4.497 1.00 0.00 N ATOM 0 H ASN A 63 -5.120 5.190 2.801 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.876 5.364 1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.444 6.331 3.969 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.073 7.638 2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.684 7.634 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.339 6.591 5.173 1.00 0.00 H new ATOM 1021 N ALA A 64 -5.712 7.212 0.286 1.00 0.00 N ATOM 1022 CA ALA A 64 -5.557 7.940 -1.002 1.00 0.00 C ATOM 1023 C ALA A 64 -5.812 6.970 -2.153 1.00 0.00 C ATOM 1024 O ALA A 64 -6.354 7.330 -3.179 1.00 0.00 O ATOM 1025 CB ALA A 64 -4.108 8.428 -1.014 1.00 0.00 C ATOM 0 H ALA A 64 -4.884 7.201 0.882 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.255 8.771 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.916 8.976 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.938 9.084 -0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.435 7.572 -0.954 1.00 0.00 H new ATOM 1031 N TYR A 65 -5.432 5.731 -1.980 1.00 0.00 N ATOM 1032 CA TYR A 65 -5.660 4.725 -3.052 1.00 0.00 C ATOM 1033 C TYR A 65 -7.161 4.574 -3.299 1.00 0.00 C ATOM 1034 O TYR A 65 -7.614 4.520 -4.426 1.00 0.00 O ATOM 1035 CB TYR A 65 -5.066 3.424 -2.502 1.00 0.00 C ATOM 1036 CG TYR A 65 -5.655 2.246 -3.241 1.00 0.00 C ATOM 1037 CD1 TYR A 65 -6.832 1.640 -2.774 1.00 0.00 C ATOM 1038 CD2 TYR A 65 -5.028 1.766 -4.395 1.00 0.00 C ATOM 1039 CE1 TYR A 65 -7.375 0.551 -3.465 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -5.574 0.678 -5.086 1.00 0.00 C ATOM 1041 CZ TYR A 65 -6.747 0.070 -4.621 1.00 0.00 C ATOM 1042 OH TYR A 65 -7.284 -1.003 -5.302 1.00 0.00 O ATOM 0 H TYR A 65 -4.974 5.375 -1.141 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.204 5.006 -4.001 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -3.982 3.431 -2.614 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.275 3.339 -1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.317 2.013 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.123 2.234 -4.753 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.279 0.081 -3.107 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.091 0.307 -5.978 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.255 -1.020 -5.173 1.00 0.00 H new ATOM 1052 N LYS A 66 -7.938 4.515 -2.253 1.00 0.00 N ATOM 1053 CA LYS A 66 -9.409 4.376 -2.432 1.00 0.00 C ATOM 1054 C LYS A 66 -9.961 5.627 -3.117 1.00 0.00 C ATOM 1055 O LYS A 66 -10.872 5.560 -3.919 1.00 0.00 O ATOM 1056 CB LYS A 66 -9.974 4.245 -1.018 1.00 0.00 C ATOM 1057 CG LYS A 66 -9.271 3.108 -0.277 1.00 0.00 C ATOM 1058 CD LYS A 66 -10.276 2.413 0.640 1.00 0.00 C ATOM 1059 CE LYS A 66 -10.589 3.313 1.838 1.00 0.00 C ATOM 1060 NZ LYS A 66 -10.932 2.376 2.946 1.00 0.00 N ATOM 0 H LYS A 66 -7.619 4.557 -1.285 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.676 3.520 -3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.840 5.181 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -11.046 4.053 -1.062 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.856 2.395 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.437 3.498 0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.191 2.191 0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.871 1.461 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.733 3.935 2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.418 3.986 1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.959 2.395 3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.641 1.412 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.436 2.667 3.813 1.00 0.00 H new ATOM 1074 N VAL A 67 -9.411 6.771 -2.806 1.00 0.00 N ATOM 1075 CA VAL A 67 -9.899 8.030 -3.438 1.00 0.00 C ATOM 1076 C VAL A 67 -9.525 8.058 -4.924 1.00 0.00 C ATOM 1077 O VAL A 67 -10.107 8.780 -5.707 1.00 0.00 O ATOM 1078 CB VAL A 67 -9.184 9.151 -2.684 1.00 0.00 C ATOM 1079 CG1 VAL A 67 -9.545 10.502 -3.307 1.00 0.00 C ATOM 1080 CG2 VAL A 67 -9.619 9.136 -1.217 1.00 0.00 C ATOM 0 H VAL A 67 -8.645 6.887 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.983 8.127 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.107 8.999 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.034 11.300 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.236 10.515 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.622 10.655 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.110 9.935 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.697 9.287 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.361 8.176 -0.771 1.00 0.00 H new