USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 672 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 67 MET CE :methyl -142:sc= -0.0302 (180deg=-0.919) USER MOD Set 1.2: A 68 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 14 ASN : amide:sc= -0.0871 X(o=-0.098,f=-0.2) USER MOD Set 2.2: A 15 SER OG : rot 180:sc= -0.0112 USER MOD Single : A 17 GLN : amide:sc= 0.0706 K(o=0.071,f=-5.8!) USER MOD Single : A 25 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.315 X(o=0.31,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 36 LYS NZ :NH3+ -157:sc= -0.0799 (180deg=-0.41) USER MOD Single : A 38 HIS : no HE2:sc= -0.16 X(o=-0.16,f=-0.61) USER MOD Single : A 43 THR OG1 : rot -94:sc= -0.523 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 110:sc= 0.707 USER MOD Single : A 56 SER OG : rot -104:sc= 1.18 USER MOD Single : A 57 GLN : amide:sc= -0.509 K(o=-0.51,f=-2.9!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 72:sc= 1.28 USER MOD Single : A 71 GLN : amide:sc= -1.08 X(o=-1.1,f=-1.5) USER MOD Single : A 78 SER OG : rot 180:sc= -1.29 USER MOD Single : A 80 SER OG : rot 180:sc= -2.87! USER MOD Single : A 84 MET CE :methyl 145:sc= -0.634 (180deg=-1.46!) USER MOD Single : A 85 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.019) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.245 K(o=-0.25,f=-2.7!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -7.469 3.776 10.243 1.00 0.00 N ATOM 149 CA ALA A 13 -6.255 4.292 10.861 1.00 0.00 C ATOM 150 C ALA A 13 -6.237 5.816 10.845 1.00 0.00 C ATOM 151 O ALA A 13 -7.183 6.454 10.380 1.00 0.00 O ATOM 152 CB ALA A 13 -5.026 3.741 10.152 1.00 0.00 C ATOM 0 HA ALA A 13 -6.239 3.965 11.901 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.126 4.135 10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.024 2.653 10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.046 4.040 9.104 1.00 0.00 H new ATOM 158 N ASN A 14 -5.156 6.396 11.357 1.00 0.00 N ATOM 159 CA ASN A 14 -5.015 7.847 11.401 1.00 0.00 C ATOM 160 C ASN A 14 -3.710 8.287 10.745 1.00 0.00 C ATOM 161 O ASN A 14 -3.111 9.287 11.139 1.00 0.00 O ATOM 162 CB ASN A 14 -5.064 8.342 12.848 1.00 0.00 C ATOM 163 CG ASN A 14 -4.042 7.650 13.729 1.00 0.00 C ATOM 164 OD1 ASN A 14 -2.836 7.840 13.568 1.00 0.00 O ATOM 165 ND2 ASN A 14 -4.521 6.843 14.669 1.00 0.00 N ATOM 0 H ASN A 14 -4.365 5.883 11.747 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.845 8.284 10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.888 9.418 12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.062 8.175 13.253 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.882 6.351 15.293 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.528 6.715 14.767 1.00 0.00 H new ATOM 172 N SER A 15 -3.274 7.531 9.742 1.00 0.00 N ATOM 173 CA SER A 15 -2.039 7.842 9.031 1.00 0.00 C ATOM 174 C SER A 15 -1.848 6.906 7.840 1.00 0.00 C ATOM 175 O SER A 15 -2.354 5.784 7.835 1.00 0.00 O ATOM 176 CB SER A 15 -0.841 7.736 9.975 1.00 0.00 C ATOM 177 OG SER A 15 -1.095 6.814 11.021 1.00 0.00 O ATOM 0 H SER A 15 -3.757 6.699 9.404 1.00 0.00 H new ATOM 0 HA SER A 15 -2.110 8.865 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.040 7.422 9.415 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.618 8.716 10.396 1.00 0.00 H new ATOM 0 HG SER A 15 -0.313 6.764 11.610 1.00 0.00 H new ATOM 183 N PRO A 16 -1.111 7.357 6.811 1.00 0.00 N ATOM 184 CA PRO A 16 -0.855 6.553 5.612 1.00 0.00 C ATOM 185 C PRO A 16 0.075 5.376 5.891 1.00 0.00 C ATOM 186 O PRO A 16 0.027 4.358 5.202 1.00 0.00 O ATOM 187 CB PRO A 16 -0.189 7.543 4.653 1.00 0.00 C ATOM 188 CG PRO A 16 0.432 8.568 5.538 1.00 0.00 C ATOM 189 CD PRO A 16 -0.469 8.684 6.736 1.00 0.00 C ATOM 0 HA PRO A 16 -1.769 6.108 5.219 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.559 7.050 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.918 7.992 3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.438 8.270 5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.522 9.525 5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.094 8.910 7.642 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.204 9.479 6.611 1.00 0.00 H new ATOM 197 N GLN A 17 0.919 5.522 6.909 1.00 0.00 N ATOM 198 CA GLN A 17 1.857 4.470 7.280 1.00 0.00 C ATOM 199 C GLN A 17 1.119 3.184 7.640 1.00 0.00 C ATOM 200 O GLN A 17 1.479 2.100 7.181 1.00 0.00 O ATOM 201 CB GLN A 17 2.722 4.922 8.459 1.00 0.00 C ATOM 202 CG GLN A 17 3.810 5.909 8.071 1.00 0.00 C ATOM 203 CD GLN A 17 3.433 7.344 8.381 1.00 0.00 C ATOM 204 OE1 GLN A 17 2.252 7.684 8.462 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.436 8.196 8.556 1.00 0.00 N ATOM 0 H GLN A 17 0.972 6.358 7.490 1.00 0.00 H new ATOM 0 HA GLN A 17 2.499 4.271 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.082 5.378 9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.183 4.047 8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.729 5.657 8.599 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.018 5.814 7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.400 7.871 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.243 9.175 8.767 1.00 0.00 H new ATOM 214 N GLU A 18 0.084 3.315 8.463 1.00 0.00 N ATOM 215 CA GLU A 18 -0.707 2.164 8.885 1.00 0.00 C ATOM 216 C GLU A 18 -1.499 1.590 7.713 1.00 0.00 C ATOM 217 O GLU A 18 -1.718 0.382 7.632 1.00 0.00 O ATOM 218 CB GLU A 18 -1.660 2.561 10.014 1.00 0.00 C ATOM 219 CG GLU A 18 -2.354 1.378 10.669 1.00 0.00 C ATOM 220 CD GLU A 18 -2.442 1.515 12.175 1.00 0.00 C ATOM 221 OE1 GLU A 18 -2.636 2.651 12.658 1.00 0.00 O ATOM 222 OE2 GLU A 18 -2.316 0.487 12.874 1.00 0.00 O ATOM 0 H GLU A 18 -0.227 4.206 8.851 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.023 1.397 9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.102 3.110 10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.415 3.241 9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.358 1.277 10.258 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.815 0.463 10.422 1.00 0.00 H new ATOM 229 N ALA A 19 -1.925 2.466 6.810 1.00 0.00 N ATOM 230 CA ALA A 19 -2.694 2.049 5.643 1.00 0.00 C ATOM 231 C ALA A 19 -1.848 1.196 4.704 1.00 0.00 C ATOM 232 O ALA A 19 -2.360 0.302 4.031 1.00 0.00 O ATOM 233 CB ALA A 19 -3.239 3.264 4.909 1.00 0.00 C ATOM 0 H ALA A 19 -1.751 3.470 6.864 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.531 1.441 5.988 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.811 2.938 4.040 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.886 3.833 5.577 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.411 3.894 4.583 1.00 0.00 H new ATOM 239 N LEU A 20 -0.550 1.481 4.661 1.00 0.00 N ATOM 240 CA LEU A 20 0.367 0.740 3.803 1.00 0.00 C ATOM 241 C LEU A 20 0.821 -0.551 4.475 1.00 0.00 C ATOM 242 O LEU A 20 0.863 -1.610 3.846 1.00 0.00 O ATOM 243 CB LEU A 20 1.581 1.601 3.452 1.00 0.00 C ATOM 244 CG LEU A 20 2.625 0.919 2.567 1.00 0.00 C ATOM 245 CD1 LEU A 20 2.084 0.722 1.160 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.910 1.734 2.537 1.00 0.00 C ATOM 0 H LEU A 20 -0.110 2.219 5.210 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.164 0.483 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.234 2.503 2.948 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.062 1.918 4.377 1.00 0.00 H new ATOM 0 HG LEU A 20 2.849 -0.061 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.840 0.235 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.191 0.099 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.833 1.691 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.643 1.235 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.702 2.727 2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.307 1.825 3.548 1.00 0.00 H new ATOM 258 N LEU A 21 1.161 -0.458 5.756 1.00 0.00 N ATOM 259 CA LEU A 21 1.613 -1.619 6.513 1.00 0.00 C ATOM 260 C LEU A 21 0.526 -2.687 6.569 1.00 0.00 C ATOM 261 O LEU A 21 0.814 -3.884 6.526 1.00 0.00 O ATOM 262 CB LEU A 21 2.012 -1.208 7.931 1.00 0.00 C ATOM 263 CG LEU A 21 2.539 -2.344 8.811 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.865 -2.861 8.278 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.686 -1.876 10.251 1.00 0.00 C ATOM 0 H LEU A 21 1.132 0.410 6.292 1.00 0.00 H new ATOM 0 HA LEU A 21 2.483 -2.035 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.777 -0.434 7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.147 -0.761 8.420 1.00 0.00 H new ATOM 0 HG LEU A 21 1.819 -3.162 8.787 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.224 -3.668 8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.728 -3.235 7.263 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.595 -2.052 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.062 -2.696 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.386 -1.041 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.716 -1.555 10.630 1.00 0.00 H new ATOM 277 N TRP A 22 -0.724 -2.247 6.662 1.00 0.00 N ATOM 278 CA TRP A 22 -1.855 -3.166 6.723 1.00 0.00 C ATOM 279 C TRP A 22 -2.079 -3.843 5.374 1.00 0.00 C ATOM 280 O TRP A 22 -2.531 -4.985 5.309 1.00 0.00 O ATOM 281 CB TRP A 22 -3.122 -2.421 7.149 1.00 0.00 C ATOM 282 CG TRP A 22 -4.066 -3.264 7.951 1.00 0.00 C ATOM 283 CD1 TRP A 22 -3.992 -3.532 9.287 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.226 -3.951 7.466 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.036 -4.343 9.663 1.00 0.00 N ATOM 286 CE2 TRP A 22 -5.807 -4.614 8.563 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.830 -4.068 6.212 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.962 -5.383 8.442 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -6.977 -4.832 6.093 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.532 -5.480 7.203 1.00 0.00 C ATOM 0 H TRP A 22 -0.980 -1.260 6.697 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.628 -3.934 7.462 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.841 -1.546 7.735 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.637 -2.057 6.260 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.226 -3.161 9.951 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.209 -4.687 10.607 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.409 -3.571 5.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.392 -5.885 9.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.452 -4.930 5.128 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.429 -6.069 7.078 1.00 0.00 H new ATOM 301 N ALA A 23 -1.760 -3.128 4.300 1.00 0.00 N ATOM 302 CA ALA A 23 -1.927 -3.658 2.952 1.00 0.00 C ATOM 303 C ALA A 23 -0.949 -4.799 2.685 1.00 0.00 C ATOM 304 O ALA A 23 -1.248 -5.719 1.925 1.00 0.00 O ATOM 305 CB ALA A 23 -1.743 -2.553 1.924 1.00 0.00 C ATOM 0 H ALA A 23 -1.385 -2.180 4.337 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.939 -4.054 2.867 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.870 -2.963 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.484 -1.772 2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.743 -2.131 2.019 1.00 0.00 H new ATOM 311 N LEU A 24 0.219 -4.730 3.315 1.00 0.00 N ATOM 312 CA LEU A 24 1.241 -5.757 3.144 1.00 0.00 C ATOM 313 C LEU A 24 0.921 -6.988 3.986 1.00 0.00 C ATOM 314 O LEU A 24 1.243 -8.113 3.605 1.00 0.00 O ATOM 315 CB LEU A 24 2.616 -5.207 3.524 1.00 0.00 C ATOM 316 CG LEU A 24 3.054 -3.965 2.746 1.00 0.00 C ATOM 317 CD1 LEU A 24 4.033 -3.139 3.564 1.00 0.00 C ATOM 318 CD2 LEU A 24 3.672 -4.364 1.413 1.00 0.00 C ATOM 0 H LEU A 24 0.482 -3.975 3.948 1.00 0.00 H new ATOM 0 HA LEU A 24 1.254 -6.051 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.614 -4.969 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.358 -5.991 3.374 1.00 0.00 H new ATOM 0 HG LEU A 24 2.174 -3.353 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.333 -2.260 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.556 -2.824 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.913 -3.740 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.978 -3.469 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.542 -4.997 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.939 -4.913 0.822 1.00 0.00 H new ATOM 330 N ASN A 25 0.286 -6.766 5.132 1.00 0.00 N ATOM 331 CA ASN A 25 -0.078 -7.858 6.027 1.00 0.00 C ATOM 332 C ASN A 25 -1.327 -8.576 5.529 1.00 0.00 C ATOM 333 O ASN A 25 -1.485 -9.780 5.731 1.00 0.00 O ATOM 334 CB ASN A 25 -0.310 -7.329 7.444 1.00 0.00 C ATOM 335 CG ASN A 25 0.984 -7.152 8.215 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.252 -7.875 9.174 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.794 -6.186 7.799 1.00 0.00 N ATOM 0 H ASN A 25 0.013 -5.840 5.463 1.00 0.00 H new ATOM 0 HA ASN A 25 0.746 -8.571 6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.832 -6.373 7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.960 -8.018 7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.678 -6.020 8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.532 -5.610 6.999 1.00 0.00 H new ATOM 344 N ASP A 26 -2.212 -7.830 4.876 1.00 0.00 N ATOM 345 CA ASP A 26 -3.447 -8.396 4.347 1.00 0.00 C ATOM 346 C ASP A 26 -3.155 -9.390 3.228 1.00 0.00 C ATOM 347 O ASP A 26 -3.899 -10.350 3.026 1.00 0.00 O ATOM 348 CB ASP A 26 -4.362 -7.284 3.831 1.00 0.00 C ATOM 349 CG ASP A 26 -5.829 -7.654 3.920 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.232 -8.241 4.946 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.576 -7.356 2.964 1.00 0.00 O ATOM 0 H ASP A 26 -2.097 -6.832 4.701 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.950 -8.925 5.156 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.184 -6.375 4.406 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.109 -7.061 2.795 1.00 0.00 H new ATOM 356 N LEU A 27 -2.065 -9.155 2.504 1.00 0.00 N ATOM 357 CA LEU A 27 -1.674 -10.030 1.405 1.00 0.00 C ATOM 358 C LEU A 27 -1.420 -11.448 1.905 1.00 0.00 C ATOM 359 O LEU A 27 -0.782 -11.649 2.938 1.00 0.00 O ATOM 360 CB LEU A 27 -0.422 -9.487 0.714 1.00 0.00 C ATOM 361 CG LEU A 27 -0.682 -8.440 -0.370 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.487 -7.472 -0.470 1.00 0.00 C ATOM 363 CD2 LEU A 27 -0.936 -9.114 -1.711 1.00 0.00 C ATOM 0 H LEU A 27 -1.437 -8.366 2.659 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.493 -10.059 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.231 -9.050 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.119 -10.322 0.269 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.572 -7.874 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.283 -6.735 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.622 -6.965 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.394 -8.022 -0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.119 -8.354 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.065 -9.706 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.806 -9.765 -1.632 1.00 0.00 H new ATOM 375 N GLU A 28 -1.925 -12.430 1.165 1.00 0.00 N ATOM 376 CA GLU A 28 -1.754 -13.831 1.532 1.00 0.00 C ATOM 377 C GLU A 28 -0.309 -14.276 1.331 1.00 0.00 C ATOM 378 O GLU A 28 0.564 -13.464 1.022 1.00 0.00 O ATOM 379 CB GLU A 28 -2.691 -14.714 0.706 1.00 0.00 C ATOM 380 CG GLU A 28 -4.147 -14.282 0.769 1.00 0.00 C ATOM 381 CD GLU A 28 -4.672 -14.207 2.189 1.00 0.00 C ATOM 382 OE1 GLU A 28 -5.049 -15.263 2.739 1.00 0.00 O ATOM 383 OE2 GLU A 28 -4.704 -13.093 2.753 1.00 0.00 O ATOM 0 H GLU A 28 -2.456 -12.281 0.307 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.003 -13.936 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.363 -14.705 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.610 -15.743 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.254 -13.307 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.755 -14.983 0.197 1.00 0.00 H new ATOM 390 N GLU A 29 -0.064 -15.570 1.509 1.00 0.00 N ATOM 391 CA GLU A 29 1.274 -16.125 1.346 1.00 0.00 C ATOM 392 C GLU A 29 1.595 -16.349 -0.128 1.00 0.00 C ATOM 393 O GLU A 29 2.751 -16.262 -0.542 1.00 0.00 O ATOM 394 CB GLU A 29 1.397 -17.443 2.113 1.00 0.00 C ATOM 395 CG GLU A 29 0.395 -18.497 1.675 1.00 0.00 C ATOM 396 CD GLU A 29 1.020 -19.568 0.801 1.00 0.00 C ATOM 397 OE1 GLU A 29 1.841 -20.353 1.319 1.00 0.00 O ATOM 398 OE2 GLU A 29 0.688 -19.620 -0.402 1.00 0.00 O ATOM 0 H GLU A 29 -0.775 -16.254 1.766 1.00 0.00 H new ATOM 0 HA GLU A 29 1.990 -15.409 1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.405 -17.836 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.265 -17.248 3.177 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.045 -18.963 2.556 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.417 -18.017 1.130 1.00 0.00 H new ATOM 405 N ASN A 30 0.564 -16.639 -0.916 1.00 0.00 N ATOM 406 CA ASN A 30 0.737 -16.876 -2.344 1.00 0.00 C ATOM 407 C ASN A 30 0.769 -15.559 -3.115 1.00 0.00 C ATOM 408 O ASN A 30 1.428 -15.451 -4.149 1.00 0.00 O ATOM 409 CB ASN A 30 -0.391 -17.765 -2.875 1.00 0.00 C ATOM 410 CG ASN A 30 0.113 -18.835 -3.823 1.00 0.00 C ATOM 411 OD1 ASN A 30 -0.282 -18.883 -4.988 1.00 0.00 O ATOM 412 ND2 ASN A 30 0.990 -19.700 -3.327 1.00 0.00 N ATOM 0 H ASN A 30 -0.399 -16.715 -0.589 1.00 0.00 H new ATOM 0 HA ASN A 30 1.690 -17.384 -2.490 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.902 -18.238 -2.037 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.127 -17.146 -3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.364 -20.442 -3.918 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.289 -19.622 -2.355 1.00 0.00 H new ATOM 419 N SER A 31 0.052 -14.564 -2.606 1.00 0.00 N ATOM 420 CA SER A 31 -0.002 -13.255 -3.247 1.00 0.00 C ATOM 421 C SER A 31 1.240 -12.434 -2.914 1.00 0.00 C ATOM 422 O SER A 31 1.839 -11.813 -3.792 1.00 0.00 O ATOM 423 CB SER A 31 -1.259 -12.500 -2.809 1.00 0.00 C ATOM 424 OG SER A 31 -2.385 -13.358 -2.780 1.00 0.00 O ATOM 0 H SER A 31 -0.500 -14.638 -1.752 1.00 0.00 H new ATOM 0 HA SER A 31 -0.036 -13.408 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.102 -12.068 -1.821 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.446 -11.672 -3.493 1.00 0.00 H new ATOM 0 HG SER A 31 -3.175 -12.852 -2.496 1.00 0.00 H new ATOM 430 N PHE A 32 1.619 -12.435 -1.641 1.00 0.00 N ATOM 431 CA PHE A 32 2.789 -11.689 -1.192 1.00 0.00 C ATOM 432 C PHE A 32 4.067 -12.268 -1.789 1.00 0.00 C ATOM 433 O PHE A 32 4.993 -11.531 -2.131 1.00 0.00 O ATOM 434 CB PHE A 32 2.874 -11.705 0.336 1.00 0.00 C ATOM 435 CG PHE A 32 3.797 -10.662 0.895 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.623 -9.323 0.581 1.00 0.00 C ATOM 437 CD2 PHE A 32 4.840 -11.018 1.735 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.470 -8.360 1.095 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.691 -10.059 2.252 1.00 0.00 C ATOM 440 CZ PHE A 32 5.506 -8.729 1.931 1.00 0.00 C ATOM 0 H PHE A 32 1.134 -12.944 -0.902 1.00 0.00 H new ATOM 0 HA PHE A 32 2.685 -10.659 -1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.877 -11.555 0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.210 -12.689 0.663 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.816 -9.029 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.990 -12.057 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.322 -7.320 0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.500 -10.350 2.906 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.170 -7.978 2.333 1.00 0.00 H new ATOM 450 N LYS A 33 4.113 -13.590 -1.911 1.00 0.00 N ATOM 451 CA LYS A 33 5.279 -14.267 -2.467 1.00 0.00 C ATOM 452 C LYS A 33 5.505 -13.860 -3.919 1.00 0.00 C ATOM 453 O LYS A 33 6.642 -13.799 -4.387 1.00 0.00 O ATOM 454 CB LYS A 33 5.107 -15.784 -2.371 1.00 0.00 C ATOM 455 CG LYS A 33 5.697 -16.385 -1.106 1.00 0.00 C ATOM 456 CD LYS A 33 5.157 -17.782 -0.847 1.00 0.00 C ATOM 457 CE LYS A 33 5.087 -18.090 0.641 1.00 0.00 C ATOM 458 NZ LYS A 33 5.866 -19.308 0.993 1.00 0.00 N ATOM 0 H LYS A 33 3.356 -14.214 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 33 6.152 -13.969 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.045 -16.024 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.576 -16.250 -3.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.783 -16.424 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.468 -15.742 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.163 -17.875 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.794 -18.516 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.468 -17.239 1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.046 -18.227 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.793 -19.483 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.486 -20.125 0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.864 -19.168 0.736 1.00 0.00 H new ATOM 472 N THR A 34 4.415 -13.581 -4.628 1.00 0.00 N ATOM 473 CA THR A 34 4.495 -13.179 -6.028 1.00 0.00 C ATOM 474 C THR A 34 4.664 -11.669 -6.153 1.00 0.00 C ATOM 475 O THR A 34 5.366 -11.184 -7.041 1.00 0.00 O ATOM 476 CB THR A 34 3.242 -13.628 -6.780 1.00 0.00 C ATOM 477 OG1 THR A 34 2.860 -14.934 -6.383 1.00 0.00 O ATOM 478 CG2 THR A 34 3.419 -13.640 -8.283 1.00 0.00 C ATOM 0 H THR A 34 3.466 -13.626 -4.256 1.00 0.00 H new ATOM 0 HA THR A 34 5.368 -13.660 -6.469 1.00 0.00 H new ATOM 0 HB THR A 34 2.475 -12.897 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.311 -14.882 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.493 -13.968 -8.756 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.667 -12.636 -8.628 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.224 -14.325 -8.549 1.00 0.00 H new ATOM 486 N LEU A 35 4.016 -10.931 -5.259 1.00 0.00 N ATOM 487 CA LEU A 35 4.093 -9.473 -5.270 1.00 0.00 C ATOM 488 C LEU A 35 5.493 -8.998 -4.890 1.00 0.00 C ATOM 489 O LEU A 35 5.944 -7.946 -5.341 1.00 0.00 O ATOM 490 CB LEU A 35 3.062 -8.881 -4.308 1.00 0.00 C ATOM 491 CG LEU A 35 3.035 -7.354 -4.247 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.480 -6.777 -5.540 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.215 -6.883 -3.055 1.00 0.00 C ATOM 0 H LEU A 35 3.432 -11.317 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 35 3.876 -9.130 -6.282 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.073 -9.235 -4.597 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.259 -9.266 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 35 4.057 -6.996 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.469 -5.689 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.108 -7.086 -6.375 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.465 -7.142 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.206 -5.793 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.193 -7.252 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.657 -7.266 -2.135 1.00 0.00 H new ATOM 505 N LYS A 36 6.173 -9.780 -4.057 1.00 0.00 N ATOM 506 CA LYS A 36 7.520 -9.437 -3.616 1.00 0.00 C ATOM 507 C LYS A 36 8.471 -9.324 -4.803 1.00 0.00 C ATOM 508 O LYS A 36 9.278 -8.398 -4.879 1.00 0.00 O ATOM 509 CB LYS A 36 8.038 -10.486 -2.630 1.00 0.00 C ATOM 510 CG LYS A 36 7.587 -10.250 -1.199 1.00 0.00 C ATOM 511 CD LYS A 36 8.455 -9.213 -0.505 1.00 0.00 C ATOM 512 CE LYS A 36 9.701 -9.843 0.098 1.00 0.00 C ATOM 513 NZ LYS A 36 9.373 -10.751 1.231 1.00 0.00 N ATOM 0 H LYS A 36 5.813 -10.654 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 36 7.476 -8.469 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.701 -11.472 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.127 -10.496 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.548 -9.919 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.626 -11.188 -0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.745 -8.443 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.879 -8.721 0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.234 -10.401 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.373 -9.058 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.204 -10.850 1.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.582 -10.353 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.103 -11.685 0.861 1.00 0.00 H new ATOM 527 N PHE A 37 8.372 -10.274 -5.727 1.00 0.00 N ATOM 528 CA PHE A 37 9.226 -10.281 -6.911 1.00 0.00 C ATOM 529 C PHE A 37 8.836 -9.159 -7.869 1.00 0.00 C ATOM 530 O PHE A 37 9.681 -8.617 -8.581 1.00 0.00 O ATOM 531 CB PHE A 37 9.136 -11.633 -7.621 1.00 0.00 C ATOM 532 CG PHE A 37 10.469 -12.166 -8.065 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.285 -11.420 -8.900 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.905 -13.413 -7.646 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.512 -11.908 -9.309 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.130 -13.907 -8.052 1.00 0.00 C ATOM 537 CZ PHE A 37 12.935 -13.153 -8.885 1.00 0.00 C ATOM 0 H PHE A 37 7.710 -11.049 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 37 10.255 -10.117 -6.590 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.669 -12.356 -6.952 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.485 -11.536 -8.490 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.959 -10.446 -9.235 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.280 -14.006 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.139 -11.317 -9.959 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.458 -14.881 -7.719 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.893 -13.536 -9.204 1.00 0.00 H new ATOM 547 N HIS A 38 7.551 -8.819 -7.883 1.00 0.00 N ATOM 548 CA HIS A 38 7.049 -7.762 -8.755 1.00 0.00 C ATOM 549 C HIS A 38 7.581 -6.394 -8.331 1.00 0.00 C ATOM 550 O HIS A 38 7.542 -5.439 -9.106 1.00 0.00 O ATOM 551 CB HIS A 38 5.519 -7.752 -8.744 1.00 0.00 C ATOM 552 CG HIS A 38 4.908 -8.710 -9.719 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.445 -8.996 -10.954 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.779 -9.457 -9.619 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.644 -9.886 -11.555 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.618 -10.200 -10.786 1.00 0.00 N ATOM 0 H HIS A 38 6.839 -9.260 -7.301 1.00 0.00 H new ATOM 0 HA HIS A 38 7.402 -7.966 -9.766 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.169 -7.995 -7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.169 -6.745 -8.969 1.00 0.00 H new ATOM 0 HD1 HIS A 38 6.301 -8.600 -11.343 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.112 -9.473 -8.770 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.815 -10.294 -12.540 1.00 0.00 H new ATOM 564 N LEU A 39 8.075 -6.304 -7.099 1.00 0.00 N ATOM 565 CA LEU A 39 8.610 -5.051 -6.580 1.00 0.00 C ATOM 566 C LEU A 39 9.738 -4.526 -7.465 1.00 0.00 C ATOM 567 O LEU A 39 9.770 -3.346 -7.812 1.00 0.00 O ATOM 568 CB LEU A 39 9.119 -5.243 -5.150 1.00 0.00 C ATOM 569 CG LEU A 39 8.092 -5.811 -4.168 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.754 -6.158 -2.844 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.956 -4.821 -3.957 1.00 0.00 C ATOM 0 H LEU A 39 8.115 -7.084 -6.443 1.00 0.00 H new ATOM 0 HA LEU A 39 7.804 -4.317 -6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.982 -5.908 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.467 -4.282 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 39 7.677 -6.726 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.008 -6.560 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.533 -6.902 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.197 -5.260 -2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.234 -5.240 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.355 -3.890 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.464 -4.623 -4.909 1.00 0.00 H new ATOM 583 N ARG A 40 10.663 -5.411 -7.822 1.00 0.00 N ATOM 584 CA ARG A 40 11.795 -5.036 -8.664 1.00 0.00 C ATOM 585 C ARG A 40 11.323 -4.485 -10.006 1.00 0.00 C ATOM 586 O ARG A 40 11.989 -3.643 -10.610 1.00 0.00 O ATOM 587 CB ARG A 40 12.710 -6.241 -8.890 1.00 0.00 C ATOM 588 CG ARG A 40 14.114 -5.863 -9.333 1.00 0.00 C ATOM 589 CD ARG A 40 14.974 -7.094 -9.567 1.00 0.00 C ATOM 590 NE ARG A 40 16.396 -6.766 -9.626 1.00 0.00 N ATOM 591 CZ ARG A 40 16.990 -6.229 -10.689 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.289 -5.957 -11.784 1.00 0.00 N ATOM 593 NH2 ARG A 40 18.288 -5.961 -10.658 1.00 0.00 N ATOM 0 H ARG A 40 10.652 -6.392 -7.542 1.00 0.00 H new ATOM 0 HA ARG A 40 12.352 -4.254 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.772 -6.818 -7.967 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.263 -6.890 -9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.062 -5.275 -10.249 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.578 -5.232 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.801 -7.814 -8.767 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.674 -7.574 -10.498 1.00 0.00 H new ATOM 0 HE ARG A 40 16.968 -6.960 -8.804 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.290 -6.160 -11.813 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.750 -5.545 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.831 -6.166 -9.820 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.743 -5.549 -11.473 1.00 0.00 H new ATOM 607 N ASP A 41 10.174 -4.964 -10.470 1.00 0.00 N ATOM 608 CA ASP A 41 9.617 -4.520 -11.742 1.00 0.00 C ATOM 609 C ASP A 41 9.155 -3.068 -11.663 1.00 0.00 C ATOM 610 O ASP A 41 9.152 -2.353 -12.666 1.00 0.00 O ATOM 611 CB ASP A 41 8.448 -5.417 -12.153 1.00 0.00 C ATOM 612 CG ASP A 41 8.896 -6.817 -12.526 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.791 -6.944 -13.388 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.351 -7.785 -11.955 1.00 0.00 O ATOM 0 H ASP A 41 9.610 -5.661 -9.983 1.00 0.00 H new ATOM 0 HA ASP A 41 10.403 -4.590 -12.494 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.732 -5.474 -11.333 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.929 -4.967 -12.999 1.00 0.00 H new ATOM 619 N VAL A 42 8.762 -2.638 -10.469 1.00 0.00 N ATOM 620 CA VAL A 42 8.296 -1.271 -10.267 1.00 0.00 C ATOM 621 C VAL A 42 9.407 -0.382 -9.719 1.00 0.00 C ATOM 622 O VAL A 42 9.506 0.793 -10.071 1.00 0.00 O ATOM 623 CB VAL A 42 7.096 -1.223 -9.302 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.857 -1.809 -9.961 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.419 -1.956 -8.010 1.00 0.00 C ATOM 0 H VAL A 42 8.757 -3.215 -9.628 1.00 0.00 H new ATOM 0 HA VAL A 42 7.986 -0.899 -11.243 1.00 0.00 H new ATOM 0 HB VAL A 42 6.891 -0.180 -9.059 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.020 -1.767 -9.264 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.614 -1.235 -10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.048 -2.846 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.559 -1.911 -7.341 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.653 -2.997 -8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.277 -1.486 -7.530 1.00 0.00 H new ATOM 635 N THR A 43 10.242 -0.950 -8.856 1.00 0.00 N ATOM 636 CA THR A 43 11.347 -0.207 -8.259 1.00 0.00 C ATOM 637 C THR A 43 12.509 -0.078 -9.239 1.00 0.00 C ATOM 638 O THR A 43 13.059 1.007 -9.425 1.00 0.00 O ATOM 639 CB THR A 43 11.819 -0.894 -6.978 1.00 0.00 C ATOM 640 OG1 THR A 43 11.931 -2.292 -7.170 1.00 0.00 O ATOM 641 CG2 THR A 43 10.895 -0.665 -5.801 1.00 0.00 C ATOM 0 H THR A 43 10.175 -1.922 -8.554 1.00 0.00 H new ATOM 0 HA THR A 43 10.989 0.793 -8.015 1.00 0.00 H new ATOM 0 HB THR A 43 12.788 -0.448 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.101 -2.729 -6.886 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.288 -1.180 -4.924 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.827 0.403 -5.595 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.904 -1.053 -6.036 1.00 0.00 H new ATOM 649 N GLN A 44 12.879 -1.192 -9.861 1.00 0.00 N ATOM 650 CA GLN A 44 13.976 -1.204 -10.821 1.00 0.00 C ATOM 651 C GLN A 44 15.278 -0.761 -10.164 1.00 0.00 C ATOM 652 O GLN A 44 16.141 -0.167 -10.810 1.00 0.00 O ATOM 653 CB GLN A 44 13.654 -0.293 -12.007 1.00 0.00 C ATOM 654 CG GLN A 44 12.509 -0.799 -12.869 1.00 0.00 C ATOM 655 CD GLN A 44 12.987 -1.434 -14.161 1.00 0.00 C ATOM 656 OE1 GLN A 44 12.844 -0.858 -15.240 1.00 0.00 O ATOM 657 NE2 GLN A 44 13.559 -2.628 -14.057 1.00 0.00 N ATOM 0 H GLN A 44 12.435 -2.099 -9.717 1.00 0.00 H new ATOM 0 HA GLN A 44 14.100 -2.226 -11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.406 0.701 -11.634 1.00 0.00 H new ATOM 0 HB3 GLN A 44 14.545 -0.188 -12.626 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.928 -1.528 -12.304 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.841 0.030 -13.102 1.00 0.00 H new ATOM 0 HE21 GLN A 44 13.657 -3.069 -13.142 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.900 -3.104 -14.892 1.00 0.00 H new ATOM 666 N PHE A 45 15.413 -1.053 -8.874 1.00 0.00 N ATOM 667 CA PHE A 45 16.611 -0.685 -8.127 1.00 0.00 C ATOM 668 C PHE A 45 17.589 -1.854 -8.059 1.00 0.00 C ATOM 669 O PHE A 45 17.400 -2.874 -8.722 1.00 0.00 O ATOM 670 CB PHE A 45 16.236 -0.229 -6.715 1.00 0.00 C ATOM 671 CG PHE A 45 16.325 1.257 -6.520 1.00 0.00 C ATOM 672 CD1 PHE A 45 17.518 1.928 -6.740 1.00 0.00 C ATOM 673 CD2 PHE A 45 15.216 1.985 -6.119 1.00 0.00 C ATOM 674 CE1 PHE A 45 17.603 3.295 -6.562 1.00 0.00 C ATOM 675 CE2 PHE A 45 15.296 3.352 -5.939 1.00 0.00 C ATOM 676 CZ PHE A 45 16.490 4.009 -6.160 1.00 0.00 C ATOM 0 H PHE A 45 14.708 -1.543 -8.324 1.00 0.00 H new ATOM 0 HA PHE A 45 17.098 0.140 -8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 45 15.220 -0.556 -6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.892 -0.721 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 45 18.391 1.375 -7.054 1.00 0.00 H new ATOM 0 HD2 PHE A 45 14.279 1.478 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.538 3.806 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.424 3.907 -5.625 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.554 5.078 -6.019 1.00 0.00 H new ATOM 686 N HIS A 46 18.634 -1.699 -7.252 1.00 0.00 N ATOM 687 CA HIS A 46 19.641 -2.743 -7.097 1.00 0.00 C ATOM 688 C HIS A 46 19.367 -3.583 -5.853 1.00 0.00 C ATOM 689 O HIS A 46 20.294 -4.015 -5.167 1.00 0.00 O ATOM 690 CB HIS A 46 21.038 -2.124 -7.011 1.00 0.00 C ATOM 691 CG HIS A 46 22.126 -3.033 -7.493 1.00 0.00 C ATOM 692 ND1 HIS A 46 22.396 -3.272 -8.822 1.00 0.00 N ATOM 693 CD2 HIS A 46 23.024 -3.770 -6.791 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.425 -4.126 -8.886 1.00 0.00 C ATOM 695 NE2 HIS A 46 23.844 -4.459 -7.679 1.00 0.00 N ATOM 0 H HIS A 46 18.805 -0.861 -6.696 1.00 0.00 H new ATOM 0 HA HIS A 46 19.592 -3.393 -7.970 1.00 0.00 H new ATOM 0 HB2 HIS A 46 21.056 -1.206 -7.598 1.00 0.00 H new ATOM 0 HB3 HIS A 46 21.240 -1.845 -5.977 1.00 0.00 H new ATOM 0 HD2 HIS A 46 23.091 -3.815 -5.714 1.00 0.00 H new ATOM 0 HE1 HIS A 46 23.856 -4.495 -9.805 1.00 0.00 H new ATOM 0 HE2 HIS A 46 24.610 -5.091 -7.446 1.00 0.00 H new ATOM 703 N LEU A 47 18.089 -3.813 -5.569 1.00 0.00 N ATOM 704 CA LEU A 47 17.694 -4.603 -4.409 1.00 0.00 C ATOM 705 C LEU A 47 17.780 -6.095 -4.713 1.00 0.00 C ATOM 706 O LEU A 47 16.761 -6.768 -4.869 1.00 0.00 O ATOM 707 CB LEU A 47 16.273 -4.237 -3.977 1.00 0.00 C ATOM 708 CG LEU A 47 16.017 -2.741 -3.788 1.00 0.00 C ATOM 709 CD1 LEU A 47 14.524 -2.455 -3.753 1.00 0.00 C ATOM 710 CD2 LEU A 47 16.687 -2.243 -2.516 1.00 0.00 C ATOM 0 H LEU A 47 17.310 -3.463 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 47 18.382 -4.378 -3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 47 15.574 -4.618 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.051 -4.749 -3.040 1.00 0.00 H new ATOM 0 HG LEU A 47 16.448 -2.208 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.361 -1.386 -3.618 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.070 -2.775 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.069 -2.999 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 47 16.495 -1.177 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 47 16.285 -2.782 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.762 -2.413 -2.580 1.00 0.00 H new ATOM 722 N ALA A 48 19.004 -6.606 -4.798 1.00 0.00 N ATOM 723 CA ALA A 48 19.222 -8.019 -5.085 1.00 0.00 C ATOM 724 C ALA A 48 20.382 -8.574 -4.263 1.00 0.00 C ATOM 725 O ALA A 48 20.943 -7.879 -3.416 1.00 0.00 O ATOM 726 CB ALA A 48 19.482 -8.221 -6.570 1.00 0.00 C ATOM 0 H ALA A 48 19.859 -6.064 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 48 18.320 -8.564 -4.807 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.643 -9.280 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.622 -7.870 -7.141 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.367 -7.657 -6.864 1.00 0.00 H new ATOM 732 N ARG A 49 20.736 -9.828 -4.521 1.00 0.00 N ATOM 733 CA ARG A 49 21.830 -10.476 -3.806 1.00 0.00 C ATOM 734 C ARG A 49 21.532 -10.554 -2.311 1.00 0.00 C ATOM 735 O ARG A 49 22.394 -10.271 -1.479 1.00 0.00 O ATOM 736 CB ARG A 49 23.139 -9.720 -4.044 1.00 0.00 C ATOM 737 CG ARG A 49 24.311 -10.625 -4.391 1.00 0.00 C ATOM 738 CD ARG A 49 25.414 -9.863 -5.108 1.00 0.00 C ATOM 739 NE ARG A 49 25.832 -10.534 -6.338 1.00 0.00 N ATOM 740 CZ ARG A 49 26.637 -11.593 -6.367 1.00 0.00 C ATOM 741 NH1 ARG A 49 27.114 -12.106 -5.240 1.00 0.00 N ATOM 742 NH2 ARG A 49 26.967 -12.143 -7.529 1.00 0.00 N ATOM 0 H ARG A 49 20.282 -10.416 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 49 21.933 -11.492 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.993 -9.003 -4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 49 23.386 -9.147 -3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 49 24.709 -11.071 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 49 23.965 -11.444 -5.022 1.00 0.00 H new ATOM 0 HD2 ARG A 49 25.066 -8.857 -5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 49 26.272 -9.756 -4.444 1.00 0.00 H new ATOM 0 HE ARG A 49 25.486 -10.169 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 49 26.864 -11.688 -4.344 1.00 0.00 H new ATOM 0 HH12 ARG A 49 27.731 -12.918 -5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 49 26.604 -11.754 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 49 27.584 -12.955 -7.552 1.00 0.00 H new ATOM 756 N GLY A 50 20.305 -10.939 -1.977 1.00 0.00 N ATOM 757 CA GLY A 50 19.914 -11.048 -0.584 1.00 0.00 C ATOM 758 C GLY A 50 19.332 -9.756 -0.044 1.00 0.00 C ATOM 759 O GLY A 50 19.426 -9.477 1.150 1.00 0.00 O ATOM 0 H GLY A 50 19.574 -11.178 -2.647 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.180 -11.847 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.781 -11.330 0.013 1.00 0.00 H new ATOM 763 N GLU A 51 18.729 -8.967 -0.928 1.00 0.00 N ATOM 764 CA GLU A 51 18.129 -7.697 -0.534 1.00 0.00 C ATOM 765 C GLU A 51 16.607 -7.770 -0.604 1.00 0.00 C ATOM 766 O GLU A 51 15.915 -7.423 0.353 1.00 0.00 O ATOM 767 CB GLU A 51 18.640 -6.569 -1.432 1.00 0.00 C ATOM 768 CG GLU A 51 18.870 -5.260 -0.694 1.00 0.00 C ATOM 769 CD GLU A 51 20.262 -5.160 -0.105 1.00 0.00 C ATOM 770 OE1 GLU A 51 20.631 -6.041 0.701 1.00 0.00 O ATOM 771 OE2 GLU A 51 20.985 -4.201 -0.448 1.00 0.00 O ATOM 0 H GLU A 51 18.643 -9.184 -1.921 1.00 0.00 H new ATOM 0 HA GLU A 51 18.417 -7.490 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.574 -6.882 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.923 -6.402 -2.235 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.709 -4.428 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.134 -5.163 0.104 1.00 0.00 H new ATOM 778 N LEU A 52 16.093 -8.222 -1.743 1.00 0.00 N ATOM 779 CA LEU A 52 14.652 -8.340 -1.937 1.00 0.00 C ATOM 780 C LEU A 52 14.042 -9.296 -0.916 1.00 0.00 C ATOM 781 O LEU A 52 13.000 -9.008 -0.329 1.00 0.00 O ATOM 782 CB LEU A 52 14.345 -8.823 -3.355 1.00 0.00 C ATOM 783 CG LEU A 52 13.045 -8.285 -3.956 1.00 0.00 C ATOM 784 CD1 LEU A 52 13.299 -6.980 -4.693 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.424 -9.314 -4.888 1.00 0.00 C ATOM 0 H LEU A 52 16.652 -8.512 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 52 14.209 -7.354 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.172 -8.540 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.301 -9.912 -3.350 1.00 0.00 H new ATOM 0 HG LEU A 52 12.344 -8.090 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 52 12.363 -6.612 -5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 52 13.700 -6.242 -3.998 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.016 -7.149 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.500 -8.915 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.120 -9.541 -5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.206 -10.225 -4.331 1.00 0.00 H new ATOM 797 N GLU A 53 14.699 -10.433 -0.713 1.00 0.00 N ATOM 798 CA GLU A 53 14.222 -11.432 0.236 1.00 0.00 C ATOM 799 C GLU A 53 14.323 -10.915 1.667 1.00 0.00 C ATOM 800 O GLU A 53 13.513 -11.267 2.525 1.00 0.00 O ATOM 801 CB GLU A 53 15.021 -12.729 0.087 1.00 0.00 C ATOM 802 CG GLU A 53 14.195 -13.895 -0.431 1.00 0.00 C ATOM 803 CD GLU A 53 13.843 -14.889 0.658 1.00 0.00 C ATOM 804 OE1 GLU A 53 13.621 -14.456 1.808 1.00 0.00 O ATOM 805 OE2 GLU A 53 13.788 -16.101 0.361 1.00 0.00 O ATOM 0 H GLU A 53 15.563 -10.686 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 53 13.173 -11.635 0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.856 -12.556 -0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.447 -12.997 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.278 -13.514 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 53 14.748 -14.406 -1.219 1.00 0.00 H new ATOM 812 N SER A 54 15.323 -10.076 1.919 1.00 0.00 N ATOM 813 CA SER A 54 15.530 -9.510 3.247 1.00 0.00 C ATOM 814 C SER A 54 14.317 -8.699 3.689 1.00 0.00 C ATOM 815 O SER A 54 14.008 -8.622 4.877 1.00 0.00 O ATOM 816 CB SER A 54 16.780 -8.628 3.259 1.00 0.00 C ATOM 817 OG SER A 54 17.927 -9.370 3.635 1.00 0.00 O ATOM 0 H SER A 54 16.002 -9.773 1.221 1.00 0.00 H new ATOM 0 HA SER A 54 15.668 -10.334 3.948 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.932 -8.195 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.637 -7.799 3.952 1.00 0.00 H new ATOM 0 HG SER A 54 18.518 -9.474 2.860 1.00 0.00 H new ATOM 823 N LEU A 55 13.633 -8.093 2.723 1.00 0.00 N ATOM 824 CA LEU A 55 12.453 -7.287 3.012 1.00 0.00 C ATOM 825 C LEU A 55 11.365 -8.131 3.667 1.00 0.00 C ATOM 826 O LEU A 55 11.447 -9.359 3.691 1.00 0.00 O ATOM 827 CB LEU A 55 11.918 -6.649 1.728 1.00 0.00 C ATOM 828 CG LEU A 55 12.611 -5.351 1.311 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.336 -5.045 -0.152 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.158 -4.199 2.195 1.00 0.00 C ATOM 0 H LEU A 55 13.876 -8.145 1.734 1.00 0.00 H new ATOM 0 HA LEU A 55 12.743 -6.499 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.012 -7.370 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.854 -6.450 1.856 1.00 0.00 H new ATOM 0 HG LEU A 55 13.686 -5.478 1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.837 -4.118 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.711 -5.860 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.262 -4.937 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.661 -3.283 1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.080 -4.071 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.409 -4.417 3.233 1.00 0.00 H new ATOM 842 N SER A 56 10.346 -7.464 4.200 1.00 0.00 N ATOM 843 CA SER A 56 9.241 -8.153 4.856 1.00 0.00 C ATOM 844 C SER A 56 8.021 -7.244 4.966 1.00 0.00 C ATOM 845 O SER A 56 7.986 -6.162 4.380 1.00 0.00 O ATOM 846 CB SER A 56 9.665 -8.628 6.247 1.00 0.00 C ATOM 847 OG SER A 56 9.790 -7.538 7.143 1.00 0.00 O ATOM 0 H SER A 56 10.263 -6.447 4.190 1.00 0.00 H new ATOM 0 HA SER A 56 8.973 -9.018 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.931 -9.337 6.632 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.615 -9.158 6.180 1.00 0.00 H new ATOM 0 HG SER A 56 10.739 -7.334 7.279 1.00 0.00 H new ATOM 853 N GLN A 57 7.023 -7.690 5.722 1.00 0.00 N ATOM 854 CA GLN A 57 5.801 -6.917 5.910 1.00 0.00 C ATOM 855 C GLN A 57 6.095 -5.602 6.624 1.00 0.00 C ATOM 856 O GLN A 57 5.413 -4.599 6.405 1.00 0.00 O ATOM 857 CB GLN A 57 4.776 -7.729 6.706 1.00 0.00 C ATOM 858 CG GLN A 57 3.736 -8.415 5.835 1.00 0.00 C ATOM 859 CD GLN A 57 3.427 -9.826 6.297 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.054 -10.341 7.222 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.453 -10.460 5.653 1.00 0.00 N ATOM 0 H GLN A 57 7.037 -8.583 6.214 1.00 0.00 H new ATOM 0 HA GLN A 57 5.388 -6.690 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.299 -8.483 7.295 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.270 -7.069 7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.819 -7.826 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.092 -8.444 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.959 -9.995 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.200 -11.411 5.920 1.00 0.00 H new ATOM 870 N VAL A 58 7.112 -5.612 7.480 1.00 0.00 N ATOM 871 CA VAL A 58 7.493 -4.419 8.227 1.00 0.00 C ATOM 872 C VAL A 58 8.634 -3.679 7.537 1.00 0.00 C ATOM 873 O VAL A 58 8.584 -2.460 7.367 1.00 0.00 O ATOM 874 CB VAL A 58 7.921 -4.768 9.665 1.00 0.00 C ATOM 875 CG1 VAL A 58 8.119 -3.504 10.486 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.896 -5.682 10.319 1.00 0.00 C ATOM 0 H VAL A 58 7.686 -6.432 7.673 1.00 0.00 H new ATOM 0 HA VAL A 58 6.614 -3.776 8.263 1.00 0.00 H new ATOM 0 HB VAL A 58 8.873 -5.298 9.623 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.421 -3.771 11.499 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.893 -2.889 10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.185 -2.944 10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.215 -5.918 11.334 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.929 -5.181 10.350 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.809 -6.603 9.742 1.00 0.00 H new ATOM 886 N ASP A 59 9.662 -4.422 7.141 1.00 0.00 N ATOM 887 CA ASP A 59 10.816 -3.837 6.469 1.00 0.00 C ATOM 888 C ASP A 59 10.401 -3.137 5.180 1.00 0.00 C ATOM 889 O ASP A 59 10.916 -2.069 4.847 1.00 0.00 O ATOM 890 CB ASP A 59 11.856 -4.917 6.164 1.00 0.00 C ATOM 891 CG ASP A 59 12.570 -5.400 7.411 1.00 0.00 C ATOM 892 OD1 ASP A 59 13.324 -4.606 8.010 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.374 -6.575 7.788 1.00 0.00 O ATOM 0 H ASP A 59 9.719 -5.432 7.274 1.00 0.00 H new ATOM 0 HA ASP A 59 11.255 -3.096 7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.367 -5.762 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.588 -4.524 5.459 1.00 0.00 H new ATOM 898 N LEU A 60 9.466 -3.745 4.456 1.00 0.00 N ATOM 899 CA LEU A 60 8.981 -3.180 3.202 1.00 0.00 C ATOM 900 C LEU A 60 8.211 -1.887 3.447 1.00 0.00 C ATOM 901 O LEU A 60 8.282 -0.950 2.652 1.00 0.00 O ATOM 902 CB LEU A 60 8.090 -4.189 2.476 1.00 0.00 C ATOM 903 CG LEU A 60 7.656 -3.774 1.070 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.867 -3.457 0.209 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.815 -4.868 0.429 1.00 0.00 C ATOM 0 H LEU A 60 9.029 -4.629 4.717 1.00 0.00 H new ATOM 0 HA LEU A 60 9.845 -2.952 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.621 -5.139 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.199 -4.363 3.078 1.00 0.00 H new ATOM 0 HG LEU A 60 7.047 -2.873 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.538 -3.164 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.430 -2.640 0.660 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.503 -4.339 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.514 -4.557 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.400 -5.785 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.927 -5.047 1.036 1.00 0.00 H new ATOM 917 N ALA A 61 7.473 -1.844 4.552 1.00 0.00 N ATOM 918 CA ALA A 61 6.687 -0.666 4.901 1.00 0.00 C ATOM 919 C ALA A 61 7.586 0.491 5.324 1.00 0.00 C ATOM 920 O ALA A 61 7.228 1.657 5.164 1.00 0.00 O ATOM 921 CB ALA A 61 5.700 -1.001 6.008 1.00 0.00 C ATOM 0 H ALA A 61 7.403 -2.611 5.221 1.00 0.00 H new ATOM 0 HA ALA A 61 6.133 -0.355 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.120 -0.113 6.259 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.028 -1.790 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.244 -1.340 6.890 1.00 0.00 H new ATOM 927 N SER A 62 8.754 0.163 5.867 1.00 0.00 N ATOM 928 CA SER A 62 9.701 1.178 6.314 1.00 0.00 C ATOM 929 C SER A 62 10.612 1.617 5.171 1.00 0.00 C ATOM 930 O SER A 62 11.062 2.763 5.128 1.00 0.00 O ATOM 931 CB SER A 62 10.542 0.646 7.475 1.00 0.00 C ATOM 932 OG SER A 62 11.474 1.617 7.919 1.00 0.00 O ATOM 0 H SER A 62 9.067 -0.797 6.008 1.00 0.00 H new ATOM 0 HA SER A 62 9.132 2.043 6.653 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.889 0.361 8.300 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.071 -0.254 7.162 1.00 0.00 H new ATOM 0 HG SER A 62 11.998 1.252 8.663 1.00 0.00 H new ATOM 938 N LYS A 63 10.881 0.699 4.249 1.00 0.00 N ATOM 939 CA LYS A 63 11.740 0.992 3.107 1.00 0.00 C ATOM 940 C LYS A 63 10.992 1.803 2.054 1.00 0.00 C ATOM 941 O LYS A 63 11.552 2.716 1.447 1.00 0.00 O ATOM 942 CB LYS A 63 12.261 -0.308 2.490 1.00 0.00 C ATOM 943 CG LYS A 63 13.479 -0.873 3.202 1.00 0.00 C ATOM 944 CD LYS A 63 14.427 -1.552 2.227 1.00 0.00 C ATOM 945 CE LYS A 63 15.049 -2.801 2.831 1.00 0.00 C ATOM 946 NZ LYS A 63 16.463 -2.575 3.242 1.00 0.00 N ATOM 0 H LYS A 63 10.517 -0.254 4.270 1.00 0.00 H new ATOM 0 HA LYS A 63 12.584 1.584 3.462 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.465 -1.052 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.512 -0.129 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.003 -0.071 3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.160 -1.589 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.887 -1.817 1.318 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.214 -0.855 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.465 -3.115 3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.007 -3.614 2.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.850 -3.450 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 17.026 -2.300 2.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.501 -1.817 3.953 1.00 0.00 H new ATOM 960 N LEU A 64 9.725 1.464 1.842 1.00 0.00 N ATOM 961 CA LEU A 64 8.901 2.160 0.862 1.00 0.00 C ATOM 962 C LEU A 64 8.755 3.636 1.219 1.00 0.00 C ATOM 963 O LEU A 64 8.699 4.495 0.339 1.00 0.00 O ATOM 964 CB LEU A 64 7.520 1.508 0.772 1.00 0.00 C ATOM 965 CG LEU A 64 7.473 0.199 -0.017 1.00 0.00 C ATOM 966 CD1 LEU A 64 6.065 -0.376 -0.017 1.00 0.00 C ATOM 967 CD2 LEU A 64 7.963 0.419 -1.441 1.00 0.00 C ATOM 0 H LEU A 64 9.247 0.711 2.336 1.00 0.00 H new ATOM 0 HA LEU A 64 9.396 2.087 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.158 1.319 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.830 2.216 0.313 1.00 0.00 H new ATOM 0 HG LEU A 64 8.134 -0.519 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.052 -1.307 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.752 -0.571 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.381 0.337 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.923 -0.522 -1.989 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.327 1.154 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.990 0.784 -1.420 1.00 0.00 H new ATOM 979 N ILE A 65 8.694 3.923 2.515 1.00 0.00 N ATOM 980 CA ILE A 65 8.555 5.296 2.987 1.00 0.00 C ATOM 981 C ILE A 65 9.911 5.989 3.071 1.00 0.00 C ATOM 982 O ILE A 65 10.013 7.200 2.877 1.00 0.00 O ATOM 983 CB ILE A 65 7.878 5.348 4.370 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.597 4.511 4.366 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.575 6.788 4.759 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.966 4.365 5.733 1.00 0.00 C ATOM 0 H ILE A 65 8.739 3.224 3.257 1.00 0.00 H new ATOM 0 HA ILE A 65 7.928 5.817 2.263 1.00 0.00 H new ATOM 0 HB ILE A 65 8.562 4.929 5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.876 4.969 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.821 3.520 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.097 6.807 5.738 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.504 7.358 4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.907 7.232 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.063 3.760 5.654 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.670 3.879 6.409 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.710 5.350 6.123 1.00 0.00 H new ATOM 998 N SER A 66 10.950 5.212 3.360 1.00 0.00 N ATOM 999 CA SER A 66 12.300 5.752 3.469 1.00 0.00 C ATOM 1000 C SER A 66 12.873 6.075 2.093 1.00 0.00 C ATOM 1001 O SER A 66 13.692 6.983 1.949 1.00 0.00 O ATOM 1002 CB SER A 66 13.211 4.757 4.192 1.00 0.00 C ATOM 1003 OG SER A 66 12.841 4.623 5.553 1.00 0.00 O ATOM 0 H SER A 66 10.883 4.207 3.523 1.00 0.00 H new ATOM 0 HA SER A 66 12.249 6.676 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.157 3.786 3.700 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.246 5.092 4.125 1.00 0.00 H new ATOM 0 HG SER A 66 11.996 4.130 5.615 1.00 0.00 H new ATOM 1009 N MET A 67 12.439 5.327 1.084 1.00 0.00 N ATOM 1010 CA MET A 67 12.911 5.536 -0.280 1.00 0.00 C ATOM 1011 C MET A 67 12.077 6.596 -0.992 1.00 0.00 C ATOM 1012 O MET A 67 12.605 7.415 -1.743 1.00 0.00 O ATOM 1013 CB MET A 67 12.866 4.223 -1.064 1.00 0.00 C ATOM 1014 CG MET A 67 13.942 3.231 -0.654 1.00 0.00 C ATOM 1015 SD MET A 67 14.636 2.337 -2.058 1.00 0.00 S ATOM 1016 CE MET A 67 13.151 1.657 -2.793 1.00 0.00 C ATOM 0 H MET A 67 11.762 4.571 1.185 1.00 0.00 H new ATOM 0 HA MET A 67 13.942 5.887 -0.230 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.888 3.762 -0.928 1.00 0.00 H new ATOM 0 HB3 MET A 67 12.971 4.441 -2.127 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.741 3.761 -0.135 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.521 2.517 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 67 13.355 0.652 -3.161 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.360 1.616 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.833 2.289 -3.622 1.00 0.00 H new ATOM 1026 N TYR A 68 10.769 6.574 -0.750 1.00 0.00 N ATOM 1027 CA TYR A 68 9.862 7.534 -1.370 1.00 0.00 C ATOM 1028 C TYR A 68 9.066 8.293 -0.313 1.00 0.00 C ATOM 1029 O TYR A 68 9.239 9.500 -0.140 1.00 0.00 O ATOM 1030 CB TYR A 68 8.908 6.819 -2.328 1.00 0.00 C ATOM 1031 CG TYR A 68 9.592 5.809 -3.223 1.00 0.00 C ATOM 1032 CD1 TYR A 68 10.329 6.218 -4.328 1.00 0.00 C ATOM 1033 CD2 TYR A 68 9.501 4.448 -2.963 1.00 0.00 C ATOM 1034 CE1 TYR A 68 10.955 5.298 -5.148 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.125 3.522 -3.777 1.00 0.00 C ATOM 1036 CZ TYR A 68 10.850 3.952 -4.868 1.00 0.00 C ATOM 1037 OH TYR A 68 11.473 3.034 -5.681 1.00 0.00 O ATOM 0 H TYR A 68 10.315 5.903 -0.130 1.00 0.00 H new ATOM 0 HA TYR A 68 10.461 8.251 -1.931 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.136 6.314 -1.748 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.406 7.561 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 68 10.414 7.272 -4.550 1.00 0.00 H new ATOM 0 HD2 TYR A 68 8.933 4.107 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.523 5.632 -6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.045 2.467 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 68 12.278 3.435 -6.071 1.00 0.00 H new ATOM 1047 N GLY A 69 8.195 7.579 0.391 1.00 0.00 N ATOM 1048 CA GLY A 69 7.386 8.203 1.422 1.00 0.00 C ATOM 1049 C GLY A 69 6.118 7.424 1.715 1.00 0.00 C ATOM 1050 O GLY A 69 5.961 6.290 1.264 1.00 0.00 O ATOM 0 H GLY A 69 8.034 6.579 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.973 8.292 2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.124 9.214 1.111 1.00 0.00 H new ATOM 1054 N ALA A 70 5.212 8.034 2.473 1.00 0.00 N ATOM 1055 CA ALA A 70 3.953 7.388 2.826 1.00 0.00 C ATOM 1056 C ALA A 70 2.877 7.674 1.785 1.00 0.00 C ATOM 1057 O ALA A 70 1.967 6.870 1.582 1.00 0.00 O ATOM 1058 CB ALA A 70 3.494 7.846 4.202 1.00 0.00 C ATOM 0 H ALA A 70 5.326 8.973 2.854 1.00 0.00 H new ATOM 0 HA ALA A 70 4.120 6.311 2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.553 7.356 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.249 7.584 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.351 8.927 4.197 1.00 0.00 H new ATOM 1064 N GLN A 71 2.985 8.825 1.129 1.00 0.00 N ATOM 1065 CA GLN A 71 2.019 9.216 0.109 1.00 0.00 C ATOM 1066 C GLN A 71 2.359 8.584 -1.237 1.00 0.00 C ATOM 1067 O GLN A 71 1.475 8.314 -2.049 1.00 0.00 O ATOM 1068 CB GLN A 71 1.977 10.740 -0.025 1.00 0.00 C ATOM 1069 CG GLN A 71 1.689 11.457 1.283 1.00 0.00 C ATOM 1070 CD GLN A 71 2.935 11.665 2.121 1.00 0.00 C ATOM 1071 OE1 GLN A 71 3.030 11.176 3.246 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.901 12.395 1.574 1.00 0.00 N ATOM 0 H GLN A 71 3.731 9.503 1.285 1.00 0.00 H new ATOM 0 HA GLN A 71 1.037 8.857 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.932 11.088 -0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.214 11.012 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.233 12.424 1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.962 10.881 1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.780 12.782 0.638 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.763 12.569 2.090 1.00 0.00 H new ATOM 1081 N GLU A 72 3.647 8.351 -1.466 1.00 0.00 N ATOM 1082 CA GLU A 72 4.105 7.751 -2.714 1.00 0.00 C ATOM 1083 C GLU A 72 4.113 6.227 -2.618 1.00 0.00 C ATOM 1084 O GLU A 72 3.823 5.534 -3.593 1.00 0.00 O ATOM 1085 CB GLU A 72 5.504 8.263 -3.066 1.00 0.00 C ATOM 1086 CG GLU A 72 5.590 8.904 -4.442 1.00 0.00 C ATOM 1087 CD GLU A 72 6.198 7.980 -5.478 1.00 0.00 C ATOM 1088 OE1 GLU A 72 5.609 6.912 -5.740 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.266 8.326 -6.027 1.00 0.00 O ATOM 0 H GLU A 72 4.392 8.568 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 72 3.411 8.040 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.815 8.990 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.209 7.433 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.591 9.199 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.186 9.814 -4.378 1.00 0.00 H new ATOM 1096 N ALA A 73 4.446 5.714 -1.438 1.00 0.00 N ATOM 1097 CA ALA A 73 4.492 4.274 -1.217 1.00 0.00 C ATOM 1098 C ALA A 73 3.137 3.630 -1.487 1.00 0.00 C ATOM 1099 O ALA A 73 3.061 2.488 -1.939 1.00 0.00 O ATOM 1100 CB ALA A 73 4.946 3.974 0.204 1.00 0.00 C ATOM 0 H ALA A 73 4.688 6.274 -0.621 1.00 0.00 H new ATOM 0 HA ALA A 73 5.211 3.848 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.976 2.895 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.940 4.391 0.364 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.247 4.421 0.911 1.00 0.00 H new ATOM 1106 N VAL A 74 2.070 4.370 -1.208 1.00 0.00 N ATOM 1107 CA VAL A 74 0.717 3.869 -1.421 1.00 0.00 C ATOM 1108 C VAL A 74 0.370 3.835 -2.907 1.00 0.00 C ATOM 1109 O VAL A 74 -0.420 3.001 -3.351 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.325 4.731 -0.682 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.709 4.108 -0.789 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.071 4.916 0.776 1.00 0.00 C ATOM 0 H VAL A 74 2.115 5.318 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 74 0.689 2.856 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.356 5.713 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.430 4.731 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.994 4.033 -1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.695 3.113 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.677 5.527 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.133 3.943 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.041 5.411 0.830 1.00 0.00 H new ATOM 1122 N ARG A 75 0.966 4.746 -3.670 1.00 0.00 N ATOM 1123 CA ARG A 75 0.720 4.818 -5.106 1.00 0.00 C ATOM 1124 C ARG A 75 1.480 3.723 -5.846 1.00 0.00 C ATOM 1125 O ARG A 75 1.038 3.244 -6.892 1.00 0.00 O ATOM 1126 CB ARG A 75 1.126 6.191 -5.645 1.00 0.00 C ATOM 1127 CG ARG A 75 0.114 7.286 -5.348 1.00 0.00 C ATOM 1128 CD ARG A 75 -0.651 7.694 -6.597 1.00 0.00 C ATOM 1129 NE ARG A 75 -1.538 6.631 -7.066 1.00 0.00 N ATOM 1130 CZ ARG A 75 -2.547 6.828 -7.913 1.00 0.00 C ATOM 1131 NH1 ARG A 75 -2.798 8.042 -8.386 1.00 0.00 N ATOM 1132 NH2 ARG A 75 -3.304 5.807 -8.289 1.00 0.00 N ATOM 0 H ARG A 75 1.622 5.444 -3.318 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.347 4.669 -5.274 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.088 6.471 -5.215 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.267 6.121 -6.724 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.587 6.939 -4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.627 8.154 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.237 8.589 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.055 7.952 -7.387 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.375 5.684 -6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.217 8.830 -8.101 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.572 8.187 -9.034 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.114 4.872 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.077 5.957 -8.938 1.00 0.00 H new ATOM 1146 N VAL A 76 2.627 3.332 -5.301 1.00 0.00 N ATOM 1147 CA VAL A 76 3.451 2.295 -5.911 1.00 0.00 C ATOM 1148 C VAL A 76 2.773 0.931 -5.826 1.00 0.00 C ATOM 1149 O VAL A 76 2.592 0.253 -6.838 1.00 0.00 O ATOM 1150 CB VAL A 76 4.836 2.210 -5.242 1.00 0.00 C ATOM 1151 CG1 VAL A 76 5.737 1.243 -5.996 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.476 3.589 -5.158 1.00 0.00 C ATOM 0 H VAL A 76 3.007 3.718 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 76 3.578 2.570 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 76 4.705 1.833 -4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.711 1.197 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.285 0.251 -5.998 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.862 1.587 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.453 3.508 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.593 3.997 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.840 4.250 -4.569 1.00 0.00 H new ATOM 1162 N VAL A 77 2.400 0.534 -4.613 1.00 0.00 N ATOM 1163 CA VAL A 77 1.744 -0.749 -4.396 1.00 0.00 C ATOM 1164 C VAL A 77 0.454 -0.854 -5.205 1.00 0.00 C ATOM 1165 O VAL A 77 0.053 -1.945 -5.612 1.00 0.00 O ATOM 1166 CB VAL A 77 1.421 -0.972 -2.907 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.922 -2.389 -2.673 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.642 -0.679 -2.046 1.00 0.00 C ATOM 0 H VAL A 77 2.541 1.084 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 77 2.441 -1.518 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 77 0.628 -0.282 -2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.699 -2.526 -1.615 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.018 -2.558 -3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.690 -3.100 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.395 -0.842 -0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.458 -1.342 -2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.949 0.357 -2.190 1.00 0.00 H new ATOM 1178 N SER A 78 -0.190 0.285 -5.433 1.00 0.00 N ATOM 1179 CA SER A 78 -1.436 0.319 -6.193 1.00 0.00 C ATOM 1180 C SER A 78 -1.177 0.081 -7.676 1.00 0.00 C ATOM 1181 O SER A 78 -2.026 -0.461 -8.384 1.00 0.00 O ATOM 1182 CB SER A 78 -2.140 1.663 -5.996 1.00 0.00 C ATOM 1183 OG SER A 78 -3.451 1.636 -6.533 1.00 0.00 O ATOM 0 H SER A 78 0.129 1.196 -5.103 1.00 0.00 H new ATOM 0 HA SER A 78 -2.079 -0.479 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.184 1.902 -4.933 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.563 2.453 -6.477 1.00 0.00 H new ATOM 0 HG SER A 78 -3.880 2.506 -6.393 1.00 0.00 H new ATOM 1189 N ARG A 79 -0.002 0.491 -8.142 1.00 0.00 N ATOM 1190 CA ARG A 79 0.366 0.323 -9.544 1.00 0.00 C ATOM 1191 C ARG A 79 0.702 -1.133 -9.849 1.00 0.00 C ATOM 1192 O ARG A 79 0.494 -1.607 -10.966 1.00 0.00 O ATOM 1193 CB ARG A 79 1.559 1.217 -9.890 1.00 0.00 C ATOM 1194 CG ARG A 79 1.189 2.679 -10.072 1.00 0.00 C ATOM 1195 CD ARG A 79 2.398 3.585 -9.905 1.00 0.00 C ATOM 1196 NE ARG A 79 3.026 3.901 -11.186 1.00 0.00 N ATOM 1197 CZ ARG A 79 3.861 4.922 -11.371 1.00 0.00 C ATOM 1198 NH1 ARG A 79 4.170 5.726 -10.361 1.00 0.00 N ATOM 1199 NH2 ARG A 79 4.388 5.138 -12.568 1.00 0.00 N ATOM 0 H ARG A 79 0.712 0.942 -7.570 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.488 0.615 -10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.305 1.135 -9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.023 0.851 -10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.757 2.826 -11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.424 2.955 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.094 4.509 -9.413 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.126 3.102 -9.254 1.00 0.00 H new ATOM 0 HE ARG A 79 2.812 3.305 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.767 5.563 -9.438 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.810 6.507 -10.508 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.154 4.522 -13.347 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.028 5.920 -12.710 1.00 0.00 H new ATOM 1213 N SER A 80 1.223 -1.839 -8.850 1.00 0.00 N ATOM 1214 CA SER A 80 1.589 -3.241 -9.014 1.00 0.00 C ATOM 1215 C SER A 80 0.376 -4.146 -8.827 1.00 0.00 C ATOM 1216 O SER A 80 0.286 -5.213 -9.434 1.00 0.00 O ATOM 1217 CB SER A 80 2.685 -3.624 -8.017 1.00 0.00 C ATOM 1218 OG SER A 80 3.764 -2.706 -8.067 1.00 0.00 O ATOM 0 H SER A 80 1.401 -1.463 -7.919 1.00 0.00 H new ATOM 0 HA SER A 80 1.967 -3.376 -10.028 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.271 -3.649 -7.009 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.047 -4.628 -8.238 1.00 0.00 H new ATOM 0 HG SER A 80 4.450 -2.972 -7.420 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.554 -3.715 -7.982 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.762 -4.488 -7.713 1.00 0.00 C ATOM 1226 C LEU A 81 -2.561 -4.715 -8.992 1.00 0.00 C ATOM 1227 O LEU A 81 -3.155 -5.776 -9.185 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.630 -3.772 -6.676 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.160 -3.916 -5.227 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -2.684 -2.767 -4.380 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.609 -5.252 -4.654 1.00 0.00 C ATOM 0 H LEU A 81 -0.495 -2.834 -7.471 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.461 -5.458 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.668 -2.712 -6.926 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.648 -4.154 -6.751 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.071 -3.883 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.340 -2.886 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.314 -1.823 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.774 -2.768 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.267 -5.339 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.697 -5.313 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.185 -6.063 -5.247 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.573 -3.711 -9.863 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.300 -3.802 -11.124 1.00 0.00 C ATOM 1245 C LEU A 82 -2.782 -4.960 -11.971 1.00 0.00 C ATOM 1246 O LEU A 82 -3.532 -5.566 -12.737 1.00 0.00 O ATOM 1247 CB LEU A 82 -3.179 -2.490 -11.902 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.999 -1.328 -11.342 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.863 -0.101 -12.231 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -5.461 -1.727 -11.203 1.00 0.00 C ATOM 0 H LEU A 82 -2.088 -2.825 -9.719 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.350 -3.986 -10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.130 -2.196 -11.927 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.485 -2.667 -12.933 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.614 -1.080 -10.353 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.454 0.716 -11.816 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.816 0.197 -12.281 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.222 -0.336 -13.233 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.031 -0.888 -10.803 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.858 -2.002 -12.180 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.543 -2.577 -10.526 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.496 -5.261 -11.830 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.879 -6.347 -12.584 1.00 0.00 C ATOM 1264 C ALA A 83 -1.308 -7.706 -12.040 1.00 0.00 C ATOM 1265 O ALA A 83 -1.421 -8.676 -12.788 1.00 0.00 O ATOM 1266 CB ALA A 83 0.637 -6.218 -12.550 1.00 0.00 C ATOM 0 H ALA A 83 -0.861 -4.769 -11.201 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.216 -6.276 -13.618 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.084 -7.035 -13.116 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.931 -5.266 -12.992 1.00 0.00 H new ATOM 0 HB3 ALA A 83 0.983 -6.261 -11.517 1.00 0.00 H new ATOM 1272 N MET A 84 -1.546 -7.766 -10.734 1.00 0.00 N ATOM 1273 CA MET A 84 -1.964 -9.006 -10.089 1.00 0.00 C ATOM 1274 C MET A 84 -3.486 -9.152 -10.093 1.00 0.00 C ATOM 1275 O MET A 84 -4.020 -10.157 -9.624 1.00 0.00 O ATOM 1276 CB MET A 84 -1.440 -9.058 -8.653 1.00 0.00 C ATOM 1277 CG MET A 84 -0.052 -9.666 -8.533 1.00 0.00 C ATOM 1278 SD MET A 84 -0.088 -11.369 -7.942 1.00 0.00 S ATOM 1279 CE MET A 84 -0.258 -11.112 -6.178 1.00 0.00 C ATOM 0 H MET A 84 -1.457 -6.971 -10.101 1.00 0.00 H new ATOM 0 HA MET A 84 -1.543 -9.835 -10.658 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.421 -8.047 -8.245 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.134 -9.635 -8.042 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.440 -9.633 -9.505 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.547 -9.062 -7.852 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.881 -11.900 -5.754 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.726 -11.136 -5.710 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.723 -10.143 -5.995 1.00 0.00 H new ATOM 1289 N ASN A 85 -4.182 -8.147 -10.621 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.639 -8.176 -10.678 1.00 0.00 C ATOM 1291 C ASN A 85 -6.237 -8.244 -9.275 1.00 0.00 C ATOM 1292 O ASN A 85 -6.682 -9.302 -8.830 1.00 0.00 O ATOM 1293 CB ASN A 85 -6.115 -9.370 -11.507 1.00 0.00 C ATOM 1294 CG ASN A 85 -7.391 -9.072 -12.270 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -8.398 -9.760 -12.110 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -7.353 -8.041 -13.107 1.00 0.00 N ATOM 0 H ASN A 85 -3.760 -7.305 -11.014 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.977 -7.256 -11.154 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.333 -9.656 -12.210 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.279 -10.223 -10.849 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.181 -7.793 -13.648 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.496 -7.498 -13.208 1.00 0.00 H new ATOM 1303 N LEU A 86 -6.244 -7.108 -8.585 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.788 -7.039 -7.233 1.00 0.00 C ATOM 1305 C LEU A 86 -7.375 -5.658 -6.954 1.00 0.00 C ATOM 1306 O LEU A 86 -6.833 -4.889 -6.160 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.700 -7.362 -6.207 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.204 -8.809 -6.223 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.856 -8.923 -5.526 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.225 -9.727 -5.569 1.00 0.00 C ATOM 0 H LEU A 86 -5.880 -6.224 -8.939 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.586 -7.777 -7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.851 -6.701 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.082 -7.136 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.077 -9.118 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.521 -9.960 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.127 -8.295 -6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.953 -8.595 -4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.857 -10.753 -5.588 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.383 -9.418 -4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.168 -9.669 -6.113 1.00 0.00 H new ATOM 1322 N MET A 87 -8.487 -5.351 -7.614 1.00 0.00 N ATOM 1323 CA MET A 87 -9.149 -4.063 -7.438 1.00 0.00 C ATOM 1324 C MET A 87 -9.541 -3.842 -5.980 1.00 0.00 C ATOM 1325 O MET A 87 -9.641 -2.703 -5.521 1.00 0.00 O ATOM 1326 CB MET A 87 -10.391 -3.980 -8.328 1.00 0.00 C ATOM 1327 CG MET A 87 -10.075 -3.992 -9.816 1.00 0.00 C ATOM 1328 SD MET A 87 -11.098 -2.840 -10.754 1.00 0.00 S ATOM 1329 CE MET A 87 -9.937 -1.503 -11.029 1.00 0.00 C ATOM 0 H MET A 87 -8.948 -5.976 -8.275 1.00 0.00 H new ATOM 0 HA MET A 87 -8.446 -3.282 -7.727 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.049 -4.818 -8.098 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.939 -3.069 -8.089 1.00 0.00 H new ATOM 0 HG2 MET A 87 -9.024 -3.741 -9.962 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.219 -5.000 -10.206 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.423 -0.711 -11.599 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.603 -1.108 -10.070 1.00 0.00 H new ATOM 0 HE3 MET A 87 -9.078 -1.876 -11.586 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.761 -4.934 -5.256 1.00 0.00 N ATOM 1340 CA GLU A 88 -10.141 -4.857 -3.849 1.00 0.00 C ATOM 1341 C GLU A 88 -9.103 -4.079 -3.044 1.00 0.00 C ATOM 1342 O GLU A 88 -9.449 -3.270 -2.184 1.00 0.00 O ATOM 1343 CB GLU A 88 -10.310 -6.263 -3.267 1.00 0.00 C ATOM 1344 CG GLU A 88 -11.723 -6.557 -2.790 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.944 -6.155 -1.344 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -11.074 -6.465 -0.503 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -12.987 -5.533 -1.054 1.00 0.00 O ATOM 0 H GLU A 88 -9.683 -5.884 -5.620 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.092 -4.328 -3.784 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.031 -6.996 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.620 -6.387 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.434 -6.027 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.927 -7.622 -2.903 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.830 -4.330 -3.331 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.742 -3.653 -2.634 1.00 0.00 C ATOM 1356 C LEU A 89 -6.466 -2.287 -3.254 1.00 0.00 C ATOM 1357 O LEU A 89 -6.101 -1.340 -2.557 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.474 -4.509 -2.671 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.308 -5.470 -1.491 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.993 -6.224 -1.599 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.383 -4.712 -0.174 1.00 0.00 C ATOM 0 H LEU A 89 -7.526 -4.997 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.043 -3.507 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.471 -5.088 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.608 -3.848 -2.706 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.122 -6.194 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.892 -6.902 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.977 -6.797 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.166 -5.515 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.263 -5.410 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.589 -3.966 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.351 -4.216 -0.094 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.643 -2.191 -4.568 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.413 -0.941 -5.281 1.00 0.00 C ATOM 1375 C VAL A 90 -7.402 0.132 -4.840 1.00 0.00 C ATOM 1376 O VAL A 90 -7.077 1.320 -4.822 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.527 -1.131 -6.805 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.091 0.130 -7.536 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.707 -2.331 -7.257 1.00 0.00 C ATOM 0 H VAL A 90 -6.945 -2.965 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.399 -0.622 -5.038 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.572 -1.321 -7.051 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.179 -0.024 -8.611 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.727 0.963 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.055 0.356 -7.285 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.800 -2.449 -8.337 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.660 -2.175 -6.998 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.073 -3.230 -6.761 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.609 -0.293 -4.484 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.647 0.633 -4.043 1.00 0.00 C ATOM 1391 C ASP A 91 -9.365 1.132 -2.630 1.00 0.00 C ATOM 1392 O ASP A 91 -9.706 2.261 -2.279 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.018 -0.042 -4.096 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.108 0.902 -4.565 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -11.827 1.745 -5.441 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.243 0.798 -4.053 1.00 0.00 O ATOM 0 H ASP A 91 -8.893 -1.273 -4.492 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.647 1.489 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.972 -0.901 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.271 -0.423 -3.107 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.740 0.281 -1.821 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.413 0.636 -0.445 1.00 0.00 C ATOM 1403 C TYR A 92 -7.294 1.672 -0.403 1.00 0.00 C ATOM 1404 O TYR A 92 -7.439 2.733 0.204 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.001 -0.610 0.341 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.671 -0.330 1.790 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.467 0.513 2.554 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.561 -0.909 2.394 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.168 0.771 3.878 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.255 -0.656 3.717 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.061 0.184 4.455 1.00 0.00 C ATOM 1412 OH TYR A 92 -6.760 0.439 5.773 1.00 0.00 O ATOM 0 H TYR A 92 -8.451 -0.658 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.302 1.069 0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.808 -1.341 0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.134 -1.062 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.334 0.975 2.106 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.927 -1.568 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.798 1.429 4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.389 -1.114 4.171 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.950 -0.053 6.025 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.178 1.356 -1.053 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.035 2.260 -1.089 1.00 0.00 C ATOM 1424 C LEU A 93 -5.413 3.590 -1.735 1.00 0.00 C ATOM 1425 O LEU A 93 -5.006 4.655 -1.270 1.00 0.00 O ATOM 1426 CB LEU A 93 -3.876 1.618 -1.857 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.350 0.312 -1.260 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.158 -0.195 -2.056 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -2.974 0.508 0.201 1.00 0.00 C ATOM 0 H LEU A 93 -6.042 0.482 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.721 2.451 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.199 1.428 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.055 2.333 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.141 -0.436 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.796 -1.125 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.459 -0.374 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.362 0.550 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.602 -0.431 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.198 1.270 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.852 0.826 0.763 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.192 3.519 -2.808 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.625 4.717 -3.519 1.00 0.00 C ATOM 1443 C ASN A 94 -7.424 5.635 -2.600 1.00 0.00 C ATOM 1444 O ASN A 94 -7.381 6.858 -2.736 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.466 4.335 -4.738 1.00 0.00 C ATOM 1446 CG ASN A 94 -6.638 4.235 -6.004 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -5.454 4.575 -6.014 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -7.256 3.766 -7.082 1.00 0.00 N ATOM 0 H ASN A 94 -6.537 2.645 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 94 -5.737 5.253 -3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.957 3.380 -4.552 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.253 5.076 -4.880 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -6.748 3.676 -7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.238 3.496 -7.030 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.155 5.038 -1.663 1.00 0.00 N ATOM 1456 CA GLN A 95 -8.964 5.802 -0.723 1.00 0.00 C ATOM 1457 C GLN A 95 -8.081 6.580 0.248 1.00 0.00 C ATOM 1458 O GLN A 95 -8.448 7.660 0.709 1.00 0.00 O ATOM 1459 CB GLN A 95 -9.899 4.873 0.054 1.00 0.00 C ATOM 1460 CG GLN A 95 -10.932 5.610 0.891 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.149 4.758 1.198 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -13.258 5.059 0.759 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -11.945 3.687 1.956 1.00 0.00 N ATOM 0 H GLN A 95 -8.203 4.027 -1.536 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.562 6.513 -1.293 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.414 4.218 -0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -9.303 4.235 0.707 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.474 5.933 1.826 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.247 6.510 0.363 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.008 3.476 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.726 3.076 2.196 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.914 6.022 0.553 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.977 6.662 1.470 1.00 0.00 C ATOM 1474 C VAL A 96 -4.815 7.296 0.712 1.00 0.00 C ATOM 1475 O VAL A 96 -3.903 6.603 0.263 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.420 5.658 2.496 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.605 6.379 3.559 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.547 4.859 3.127 1.00 0.00 C ATOM 0 H VAL A 96 -6.594 5.128 0.179 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.531 7.438 1.998 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.761 4.962 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.219 5.654 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.773 6.901 3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.238 7.099 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.134 4.155 3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.234 5.537 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.083 4.311 2.352 1.00 0.00 H new