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 31 SER OG : rot 180:sc= -0.394 USER MOD Set 1.2: A 84 MET CE :methyl 174:sc= -0.37 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.232 K(o=-0.23,f=-2.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.051) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -66:sc= 1.16 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.044) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.938 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.079) USER MOD Single : A 62 SER OG : rot 41:sc= -0.401 USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0516) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -113:sc= -0.275 (180deg=-3.36!) USER MOD Single : A 68 TYR OH : rot 118:sc= -0.728 USER MOD Single : A 71 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.41) USER MOD Single : A 78 SER OG : rot 140:sc= -1.56! USER MOD Single : A 80 SER OG : rot -29:sc= 1.09 USER MOD Single : A 85 ASN : amide:sc= -0.0726 K(o=-0.073,f=-2!) USER MOD Single : A 87 MET CE :methyl 176:sc= -0.0256 (180deg=-0.0453) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.617 K(o=-0.62,f=-2.6!) USER MOD Single : A 95 GLN : amide:sc= 0.0112 X(o=0.011,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -7.061 3.965 9.316 1.00 0.00 N ATOM 149 CA ALA A 13 -5.673 4.401 9.231 1.00 0.00 C ATOM 150 C ALA A 13 -5.574 5.922 9.209 1.00 0.00 C ATOM 151 O ALA A 13 -5.691 6.547 8.154 1.00 0.00 O ATOM 152 CB ALA A 13 -5.010 3.810 7.995 1.00 0.00 C ATOM 0 HA ALA A 13 -5.151 4.043 10.118 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.974 4.144 7.943 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.039 2.722 8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.542 4.141 7.103 1.00 0.00 H new ATOM 158 N ASN A 14 -5.359 6.513 10.379 1.00 0.00 N ATOM 159 CA ASN A 14 -5.244 7.963 10.494 1.00 0.00 C ATOM 160 C ASN A 14 -4.076 8.483 9.661 1.00 0.00 C ATOM 161 O ASN A 14 -4.117 9.599 9.144 1.00 0.00 O ATOM 162 CB ASN A 14 -5.063 8.366 11.960 1.00 0.00 C ATOM 163 CG ASN A 14 -6.290 9.054 12.525 1.00 0.00 C ATOM 164 OD1 ASN A 14 -7.356 9.052 11.909 1.00 0.00 O ATOM 165 ND2 ASN A 14 -6.146 9.650 13.703 1.00 0.00 N ATOM 0 H ASN A 14 -5.261 6.011 11.261 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.163 8.408 10.114 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.841 7.479 12.553 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.204 9.031 12.048 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.937 10.130 14.132 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.244 9.627 14.179 1.00 0.00 H new ATOM 172 N SER A 15 -3.036 7.664 9.536 1.00 0.00 N ATOM 173 CA SER A 15 -1.856 8.039 8.765 1.00 0.00 C ATOM 174 C SER A 15 -1.604 7.042 7.637 1.00 0.00 C ATOM 175 O SER A 15 -2.016 5.885 7.717 1.00 0.00 O ATOM 176 CB SER A 15 -0.630 8.117 9.677 1.00 0.00 C ATOM 177 OG SER A 15 -0.080 6.831 9.904 1.00 0.00 O ATOM 0 H SER A 15 -2.987 6.737 9.959 1.00 0.00 H new ATOM 0 HA SER A 15 -2.036 9.020 8.325 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.123 8.763 9.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.909 8.570 10.629 1.00 0.00 H new ATOM 0 HG SER A 15 0.703 6.909 10.488 1.00 0.00 H new ATOM 183 N PRO A 16 -0.920 7.479 6.564 1.00 0.00 N ATOM 184 CA PRO A 16 -0.614 6.617 5.418 1.00 0.00 C ATOM 185 C PRO A 16 0.304 5.458 5.793 1.00 0.00 C ATOM 186 O PRO A 16 0.308 4.419 5.133 1.00 0.00 O ATOM 187 CB PRO A 16 0.088 7.558 4.433 1.00 0.00 C ATOM 188 CG PRO A 16 0.598 8.680 5.268 1.00 0.00 C ATOM 189 CD PRO A 16 -0.389 8.842 6.387 1.00 0.00 C ATOM 0 HA PRO A 16 -1.512 6.151 5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.901 7.051 3.914 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.602 7.916 3.670 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.593 8.459 5.654 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.679 9.596 4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.088 9.210 7.295 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.176 9.551 6.131 1.00 0.00 H new ATOM 197 N GLN A 17 1.080 5.642 6.857 1.00 0.00 N ATOM 198 CA GLN A 17 2.000 4.610 7.318 1.00 0.00 C ATOM 199 C GLN A 17 1.251 3.330 7.675 1.00 0.00 C ATOM 200 O GLN A 17 1.698 2.228 7.357 1.00 0.00 O ATOM 201 CB GLN A 17 2.789 5.108 8.531 1.00 0.00 C ATOM 202 CG GLN A 17 4.073 5.836 8.166 1.00 0.00 C ATOM 203 CD GLN A 17 4.846 6.299 9.385 1.00 0.00 C ATOM 204 OE1 GLN A 17 6.045 6.049 9.505 1.00 0.00 O ATOM 205 NE2 GLN A 17 4.162 6.978 10.298 1.00 0.00 N ATOM 0 H GLN A 17 1.089 6.496 7.415 1.00 0.00 H new ATOM 0 HA GLN A 17 2.693 4.388 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.156 5.776 9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.032 4.259 9.169 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.703 5.177 7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.833 6.698 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.169 7.163 10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.630 7.315 11.140 1.00 0.00 H new ATOM 214 N GLU A 18 0.109 3.485 8.338 1.00 0.00 N ATOM 215 CA GLU A 18 -0.702 2.342 8.739 1.00 0.00 C ATOM 216 C GLU A 18 -1.488 1.790 7.554 1.00 0.00 C ATOM 217 O GLU A 18 -1.554 0.578 7.350 1.00 0.00 O ATOM 218 CB GLU A 18 -1.663 2.741 9.861 1.00 0.00 C ATOM 219 CG GLU A 18 -2.268 1.554 10.594 1.00 0.00 C ATOM 220 CD GLU A 18 -2.959 1.956 11.881 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.558 3.052 11.918 1.00 0.00 O ATOM 222 OE2 GLU A 18 -2.902 1.176 12.855 1.00 0.00 O ATOM 0 H GLU A 18 -0.275 4.390 8.608 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.032 1.563 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.132 3.368 10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.466 3.347 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.985 1.055 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.483 0.831 10.817 1.00 0.00 H new ATOM 229 N ALA A 19 -2.082 2.688 6.774 1.00 0.00 N ATOM 230 CA ALA A 19 -2.863 2.290 5.609 1.00 0.00 C ATOM 231 C ALA A 19 -2.011 1.503 4.618 1.00 0.00 C ATOM 232 O ALA A 19 -2.514 0.639 3.900 1.00 0.00 O ATOM 233 CB ALA A 19 -3.465 3.513 4.935 1.00 0.00 C ATOM 0 H ALA A 19 -2.037 3.695 6.928 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.670 1.641 5.949 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.045 3.201 4.067 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.115 4.033 5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.666 4.183 4.616 1.00 0.00 H new ATOM 239 N LEU A 20 -0.718 1.808 4.584 1.00 0.00 N ATOM 240 CA LEU A 20 0.204 1.130 3.680 1.00 0.00 C ATOM 241 C LEU A 20 0.573 -0.251 4.215 1.00 0.00 C ATOM 242 O LEU A 20 0.573 -1.235 3.475 1.00 0.00 O ATOM 243 CB LEU A 20 1.468 1.968 3.484 1.00 0.00 C ATOM 244 CG LEU A 20 2.451 1.426 2.445 1.00 0.00 C ATOM 245 CD1 LEU A 20 1.867 1.543 1.046 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.779 2.161 2.533 1.00 0.00 C ATOM 0 H LEU A 20 -0.285 2.520 5.172 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.294 1.007 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.175 2.977 3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.983 2.050 4.441 1.00 0.00 H new ATOM 0 HG LEU A 20 2.628 0.371 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.580 1.153 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.941 0.970 0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.660 2.590 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.466 1.762 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.620 3.223 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.205 2.025 3.527 1.00 0.00 H new ATOM 258 N LEU A 21 0.889 -0.315 5.505 1.00 0.00 N ATOM 259 CA LEU A 21 1.260 -1.575 6.139 1.00 0.00 C ATOM 260 C LEU A 21 0.070 -2.526 6.199 1.00 0.00 C ATOM 261 O LEU A 21 0.233 -3.745 6.139 1.00 0.00 O ATOM 262 CB LEU A 21 1.796 -1.321 7.549 1.00 0.00 C ATOM 263 CG LEU A 21 2.282 -2.566 8.292 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.498 -3.161 7.599 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.601 -2.231 9.741 1.00 0.00 C ATOM 0 H LEU A 21 0.895 0.490 6.131 1.00 0.00 H new ATOM 0 HA LEU A 21 2.042 -2.039 5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.620 -0.610 7.485 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.012 -0.848 8.139 1.00 0.00 H new ATOM 0 HG LEU A 21 1.484 -3.308 8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.830 -4.046 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.235 -3.439 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.302 -2.425 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.945 -3.129 10.255 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.382 -1.471 9.775 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.705 -1.853 10.233 1.00 0.00 H new ATOM 277 N TRP A 22 -1.127 -1.962 6.317 1.00 0.00 N ATOM 278 CA TRP A 22 -2.345 -2.760 6.385 1.00 0.00 C ATOM 279 C TRP A 22 -2.577 -3.514 5.079 1.00 0.00 C ATOM 280 O TRP A 22 -3.146 -4.606 5.073 1.00 0.00 O ATOM 281 CB TRP A 22 -3.548 -1.865 6.692 1.00 0.00 C ATOM 282 CG TRP A 22 -4.537 -2.499 7.622 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.620 -2.325 8.973 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.587 -3.409 7.270 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.655 -3.070 9.483 1.00 0.00 N ATOM 286 CE2 TRP A 22 -6.263 -3.745 8.457 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.018 -3.972 6.065 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -7.348 -4.618 8.474 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.095 -4.838 6.084 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.749 -5.154 7.281 1.00 0.00 C ATOM 0 H TRP A 22 -1.280 -0.955 6.368 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.228 -3.489 7.187 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.195 -0.931 7.130 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -4.050 -1.610 5.759 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.967 -1.693 9.556 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.927 -3.114 10.465 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.519 -3.735 5.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.855 -4.863 9.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.438 -5.279 5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.587 -5.835 7.262 1.00 0.00 H new ATOM 301 N ALA A 23 -2.133 -2.924 3.974 1.00 0.00 N ATOM 302 CA ALA A 23 -2.293 -3.540 2.662 1.00 0.00 C ATOM 303 C ALA A 23 -1.343 -4.720 2.491 1.00 0.00 C ATOM 304 O ALA A 23 -1.654 -5.682 1.788 1.00 0.00 O ATOM 305 CB ALA A 23 -2.062 -2.511 1.566 1.00 0.00 C ATOM 0 H ALA A 23 -1.660 -2.020 3.961 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.314 -3.915 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.184 -2.984 0.591 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.784 -1.701 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.052 -2.110 1.650 1.00 0.00 H new ATOM 311 N LEU A 24 -0.184 -4.641 3.137 1.00 0.00 N ATOM 312 CA LEU A 24 0.811 -5.703 3.055 1.00 0.00 C ATOM 313 C LEU A 24 0.454 -6.857 3.987 1.00 0.00 C ATOM 314 O LEU A 24 0.530 -8.024 3.603 1.00 0.00 O ATOM 315 CB LEU A 24 2.198 -5.159 3.404 1.00 0.00 C ATOM 316 CG LEU A 24 2.822 -4.249 2.345 1.00 0.00 C ATOM 317 CD1 LEU A 24 4.060 -3.561 2.896 1.00 0.00 C ATOM 318 CD2 LEU A 24 3.163 -5.044 1.094 1.00 0.00 C ATOM 0 H LEU A 24 0.089 -3.852 3.723 1.00 0.00 H new ATOM 0 HA LEU A 24 0.823 -6.078 2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.130 -4.607 4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.868 -6.001 3.578 1.00 0.00 H new ATOM 0 HG LEU A 24 2.095 -3.482 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.491 -2.918 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.786 -2.959 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.792 -4.312 3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.606 -4.381 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.873 -5.832 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.255 -5.490 0.687 1.00 0.00 H new ATOM 330 N ASN A 25 0.067 -6.522 5.213 1.00 0.00 N ATOM 331 CA ASN A 25 -0.303 -7.530 6.200 1.00 0.00 C ATOM 332 C ASN A 25 -1.568 -8.269 5.777 1.00 0.00 C ATOM 333 O ASN A 25 -1.749 -9.444 6.095 1.00 0.00 O ATOM 334 CB ASN A 25 -0.510 -6.882 7.569 1.00 0.00 C ATOM 335 CG ASN A 25 0.793 -6.680 8.318 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.055 -7.343 9.321 1.00 0.00 O ATOM 337 ND2 ASN A 25 1.619 -5.761 7.831 1.00 0.00 N ATOM 0 H ASN A 25 0.001 -5.561 5.547 1.00 0.00 H new ATOM 0 HA ASN A 25 0.511 -8.252 6.267 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.005 -5.919 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.176 -7.506 8.166 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.511 -5.582 8.292 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.361 -5.234 6.996 1.00 0.00 H new ATOM 344 N ASP A 26 -2.443 -7.571 5.059 1.00 0.00 N ATOM 345 CA ASP A 26 -3.692 -8.160 4.594 1.00 0.00 C ATOM 346 C ASP A 26 -3.437 -9.187 3.495 1.00 0.00 C ATOM 347 O ASP A 26 -4.195 -10.146 3.339 1.00 0.00 O ATOM 348 CB ASP A 26 -4.633 -7.069 4.078 1.00 0.00 C ATOM 349 CG ASP A 26 -6.052 -7.569 3.894 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.816 -7.564 4.882 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.400 -7.964 2.762 1.00 0.00 O ATOM 0 H ASP A 26 -2.309 -6.597 4.787 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.160 -8.667 5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.633 -6.233 4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.258 -6.690 3.127 1.00 0.00 H new ATOM 356 N LEU A 27 -2.366 -8.982 2.734 1.00 0.00 N ATOM 357 CA LEU A 27 -2.012 -9.891 1.650 1.00 0.00 C ATOM 358 C LEU A 27 -1.808 -11.310 2.169 1.00 0.00 C ATOM 359 O LEU A 27 -1.651 -11.526 3.370 1.00 0.00 O ATOM 360 CB LEU A 27 -0.742 -9.407 0.946 1.00 0.00 C ATOM 361 CG LEU A 27 -0.953 -8.282 -0.069 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.384 -7.742 -0.552 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.786 -8.774 -1.243 1.00 0.00 C ATOM 0 H LEU A 27 -1.728 -8.194 2.848 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.836 -9.901 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.034 -9.066 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.282 -10.254 0.437 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.493 -7.472 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.214 -6.943 -1.273 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.947 -7.352 0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.951 -8.544 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.927 -7.961 -1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.272 -9.601 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.757 -9.113 -0.883 1.00 0.00 H new ATOM 375 N GLU A 28 -1.814 -12.275 1.254 1.00 0.00 N ATOM 376 CA GLU A 28 -1.631 -13.675 1.619 1.00 0.00 C ATOM 377 C GLU A 28 -0.196 -14.122 1.355 1.00 0.00 C ATOM 378 O GLU A 28 0.623 -13.351 0.853 1.00 0.00 O ATOM 379 CB GLU A 28 -2.604 -14.560 0.838 1.00 0.00 C ATOM 380 CG GLU A 28 -4.034 -14.489 1.350 1.00 0.00 C ATOM 381 CD GLU A 28 -4.590 -15.851 1.719 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.274 -16.342 2.822 1.00 0.00 O ATOM 383 OE2 GLU A 28 -5.343 -16.425 0.905 1.00 0.00 O ATOM 0 H GLU A 28 -1.944 -12.113 0.255 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.835 -13.776 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.587 -14.266 -0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.261 -15.593 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.072 -13.837 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.667 -14.037 0.587 1.00 0.00 H new ATOM 390 N GLU A 29 0.101 -15.372 1.696 1.00 0.00 N ATOM 391 CA GLU A 29 1.438 -15.921 1.496 1.00 0.00 C ATOM 392 C GLU A 29 1.623 -16.395 0.058 1.00 0.00 C ATOM 393 O GLU A 29 2.732 -16.369 -0.477 1.00 0.00 O ATOM 394 CB GLU A 29 1.685 -17.079 2.466 1.00 0.00 C ATOM 395 CG GLU A 29 3.031 -17.008 3.169 1.00 0.00 C ATOM 396 CD GLU A 29 2.905 -17.055 4.679 1.00 0.00 C ATOM 397 OE1 GLU A 29 2.818 -18.171 5.233 1.00 0.00 O ATOM 398 OE2 GLU A 29 2.892 -15.976 5.307 1.00 0.00 O ATOM 0 H GLU A 29 -0.565 -16.023 2.112 1.00 0.00 H new ATOM 0 HA GLU A 29 2.163 -15.131 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.893 -17.089 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.619 -18.020 1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.655 -17.837 2.835 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.540 -16.089 2.879 1.00 0.00 H new ATOM 405 N ASN A 30 0.531 -16.827 -0.562 1.00 0.00 N ATOM 406 CA ASN A 30 0.573 -17.309 -1.939 1.00 0.00 C ATOM 407 C ASN A 30 0.680 -16.149 -2.923 1.00 0.00 C ATOM 408 O ASN A 30 1.238 -16.294 -4.011 1.00 0.00 O ATOM 409 CB ASN A 30 -0.675 -18.140 -2.248 1.00 0.00 C ATOM 410 CG ASN A 30 -0.453 -19.114 -3.389 1.00 0.00 C ATOM 411 OD1 ASN A 30 -0.565 -18.752 -4.560 1.00 0.00 O ATOM 412 ND2 ASN A 30 -0.136 -20.359 -3.051 1.00 0.00 N ATOM 0 H ASN A 30 -0.394 -16.854 -0.134 1.00 0.00 H new ATOM 0 HA ASN A 30 1.458 -17.936 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.971 -18.691 -1.356 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.500 -17.473 -2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.025 -21.059 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.054 -20.615 -2.067 1.00 0.00 H new ATOM 419 N SER A 31 0.142 -14.996 -2.537 1.00 0.00 N ATOM 420 CA SER A 31 0.176 -13.813 -3.388 1.00 0.00 C ATOM 421 C SER A 31 1.423 -12.977 -3.113 1.00 0.00 C ATOM 422 O SER A 31 2.108 -12.543 -4.039 1.00 0.00 O ATOM 423 CB SER A 31 -1.078 -12.964 -3.170 1.00 0.00 C ATOM 424 OG SER A 31 -1.534 -12.404 -4.389 1.00 0.00 O ATOM 0 H SER A 31 -0.323 -14.856 -1.640 1.00 0.00 H new ATOM 0 HA SER A 31 0.206 -14.146 -4.425 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.865 -13.578 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.862 -12.167 -2.459 1.00 0.00 H new ATOM 0 HG SER A 31 -2.337 -11.868 -4.222 1.00 0.00 H new ATOM 430 N PHE A 32 1.713 -12.757 -1.835 1.00 0.00 N ATOM 431 CA PHE A 32 2.877 -11.972 -1.439 1.00 0.00 C ATOM 432 C PHE A 32 4.162 -12.599 -1.969 1.00 0.00 C ATOM 433 O PHE A 32 5.132 -11.898 -2.259 1.00 0.00 O ATOM 434 CB PHE A 32 2.944 -11.853 0.085 1.00 0.00 C ATOM 435 CG PHE A 32 3.904 -10.802 0.562 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.667 -9.461 0.307 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.044 -11.154 1.268 1.00 0.00 C ATOM 438 CE1 PHE A 32 4.548 -8.491 0.746 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.929 -10.189 1.709 1.00 0.00 C ATOM 440 CZ PHE A 32 5.681 -8.855 1.448 1.00 0.00 C ATOM 0 H PHE A 32 1.158 -13.111 -1.056 1.00 0.00 H new ATOM 0 HA PHE A 32 2.776 -10.976 -1.870 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.949 -11.626 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.234 -12.816 0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.783 -9.170 -0.241 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.243 -12.195 1.476 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.351 -7.449 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.814 -10.477 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.371 -8.099 1.792 1.00 0.00 H new ATOM 450 N LYS A 33 4.163 -13.922 -2.093 1.00 0.00 N ATOM 451 CA LYS A 33 5.330 -14.642 -2.588 1.00 0.00 C ATOM 452 C LYS A 33 5.664 -14.220 -4.016 1.00 0.00 C ATOM 453 O LYS A 33 6.832 -14.046 -4.364 1.00 0.00 O ATOM 454 CB LYS A 33 5.085 -16.152 -2.530 1.00 0.00 C ATOM 455 CG LYS A 33 5.771 -16.835 -1.359 1.00 0.00 C ATOM 456 CD LYS A 33 5.799 -18.345 -1.532 1.00 0.00 C ATOM 457 CE LYS A 33 4.460 -18.970 -1.175 1.00 0.00 C ATOM 458 NZ LYS A 33 4.608 -20.384 -0.728 1.00 0.00 N ATOM 0 H LYS A 33 3.369 -14.517 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 33 6.178 -14.395 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.012 -16.335 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.434 -16.604 -3.459 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.790 -16.460 -1.264 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.251 -16.583 -0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.053 -18.590 -2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.580 -18.770 -0.902 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.987 -18.387 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.799 -18.930 -2.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.673 -20.774 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.036 -20.946 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.218 -20.420 0.113 1.00 0.00 H new ATOM 472 N THR A 34 4.633 -14.059 -4.837 1.00 0.00 N ATOM 473 CA THR A 34 4.817 -13.658 -6.228 1.00 0.00 C ATOM 474 C THR A 34 5.009 -12.149 -6.338 1.00 0.00 C ATOM 475 O THR A 34 5.721 -11.667 -7.218 1.00 0.00 O ATOM 476 CB THR A 34 3.619 -14.094 -7.070 1.00 0.00 C ATOM 477 OG1 THR A 34 3.172 -15.380 -6.680 1.00 0.00 O ATOM 478 CG2 THR A 34 3.915 -14.142 -8.553 1.00 0.00 C ATOM 0 H THR A 34 3.660 -14.200 -4.564 1.00 0.00 H new ATOM 0 HA THR A 34 5.714 -14.149 -6.605 1.00 0.00 H new ATOM 0 HB THR A 34 2.853 -13.339 -6.893 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.404 -15.640 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.022 -14.459 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.214 -13.152 -8.897 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.722 -14.850 -8.740 1.00 0.00 H new ATOM 486 N LEU A 35 4.370 -11.409 -5.437 1.00 0.00 N ATOM 487 CA LEU A 35 4.472 -9.954 -5.433 1.00 0.00 C ATOM 488 C LEU A 35 5.855 -9.504 -4.972 1.00 0.00 C ATOM 489 O LEU A 35 6.320 -8.423 -5.339 1.00 0.00 O ATOM 490 CB LEU A 35 3.398 -9.349 -4.527 1.00 0.00 C ATOM 491 CG LEU A 35 3.444 -7.826 -4.395 1.00 0.00 C ATOM 492 CD1 LEU A 35 2.755 -7.167 -5.581 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.801 -7.384 -3.090 1.00 0.00 C ATOM 0 H LEU A 35 3.777 -11.793 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 35 4.318 -9.603 -6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.418 -9.636 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.493 -9.787 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 35 4.488 -7.512 -4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.797 -6.083 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.260 -7.458 -6.502 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.714 -7.487 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.843 -6.298 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.761 -7.709 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.338 -7.828 -2.251 1.00 0.00 H new ATOM 505 N LYS A 36 6.507 -10.335 -4.165 1.00 0.00 N ATOM 506 CA LYS A 36 7.838 -10.021 -3.653 1.00 0.00 C ATOM 507 C LYS A 36 8.809 -9.715 -4.791 1.00 0.00 C ATOM 508 O LYS A 36 9.760 -8.954 -4.620 1.00 0.00 O ATOM 509 CB LYS A 36 8.367 -11.183 -2.811 1.00 0.00 C ATOM 510 CG LYS A 36 8.989 -10.747 -1.494 1.00 0.00 C ATOM 511 CD LYS A 36 9.932 -11.806 -0.944 1.00 0.00 C ATOM 512 CE LYS A 36 9.173 -13.025 -0.448 1.00 0.00 C ATOM 513 NZ LYS A 36 9.876 -14.293 -0.787 1.00 0.00 N ATOM 0 H LYS A 36 6.136 -11.232 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 36 7.757 -9.132 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.549 -11.874 -2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.110 -11.732 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.533 -9.814 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.202 -10.547 -0.767 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.636 -12.106 -1.720 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.518 -11.384 -0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.046 -12.958 0.632 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.175 -13.035 -0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.326 -15.101 -0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.975 -14.370 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.819 -14.296 -0.347 1.00 0.00 H new ATOM 527 N PHE A 37 8.563 -10.315 -5.952 1.00 0.00 N ATOM 528 CA PHE A 37 9.416 -10.105 -7.116 1.00 0.00 C ATOM 529 C PHE A 37 8.965 -8.885 -7.911 1.00 0.00 C ATOM 530 O PHE A 37 9.788 -8.135 -8.436 1.00 0.00 O ATOM 531 CB PHE A 37 9.404 -11.344 -8.013 1.00 0.00 C ATOM 532 CG PHE A 37 10.647 -11.495 -8.844 1.00 0.00 C ATOM 533 CD1 PHE A 37 10.971 -10.552 -9.806 1.00 0.00 C ATOM 534 CD2 PHE A 37 11.490 -12.579 -8.663 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.114 -10.687 -10.571 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.634 -12.720 -9.426 1.00 0.00 C ATOM 537 CZ PHE A 37 12.945 -11.773 -10.381 1.00 0.00 C ATOM 0 H PHE A 37 7.781 -10.950 -6.111 1.00 0.00 H new ATOM 0 HA PHE A 37 10.432 -9.929 -6.762 1.00 0.00 H new ATOM 0 HB2 PHE A 37 9.282 -12.231 -7.392 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.538 -11.296 -8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 37 10.323 -9.702 -9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 37 11.251 -13.323 -7.917 1.00 0.00 H new ATOM 0 HE1 PHE A 37 12.357 -9.944 -11.316 1.00 0.00 H new ATOM 0 HE2 PHE A 37 13.283 -13.570 -9.275 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.838 -11.882 -10.979 1.00 0.00 H new ATOM 547 N HIS A 38 7.654 -8.691 -7.996 1.00 0.00 N ATOM 548 CA HIS A 38 7.093 -7.561 -8.728 1.00 0.00 C ATOM 549 C HIS A 38 7.586 -6.236 -8.153 1.00 0.00 C ATOM 550 O HIS A 38 7.661 -5.231 -8.861 1.00 0.00 O ATOM 551 CB HIS A 38 5.564 -7.611 -8.688 1.00 0.00 C ATOM 552 CG HIS A 38 4.953 -8.228 -9.909 1.00 0.00 C ATOM 553 ND1 HIS A 38 4.907 -7.611 -11.140 1.00 0.00 N ATOM 554 CD2 HIS A 38 4.357 -9.437 -10.073 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.297 -8.445 -11.994 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.944 -9.566 -11.397 1.00 0.00 N ATOM 0 H HIS A 38 6.959 -9.302 -7.567 1.00 0.00 H new ATOM 0 HA HIS A 38 7.427 -7.631 -9.763 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.250 -8.175 -7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.178 -6.598 -8.571 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.224 -10.180 -9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.118 -8.227 -13.036 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.467 -10.363 -11.818 1.00 0.00 H new ATOM 564 N LEU A 39 7.920 -6.240 -6.866 1.00 0.00 N ATOM 565 CA LEU A 39 8.404 -5.036 -6.197 1.00 0.00 C ATOM 566 C LEU A 39 9.634 -4.472 -6.905 1.00 0.00 C ATOM 567 O LEU A 39 9.800 -3.257 -7.009 1.00 0.00 O ATOM 568 CB LEU A 39 8.739 -5.341 -4.736 1.00 0.00 C ATOM 569 CG LEU A 39 7.562 -5.825 -3.889 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.054 -6.684 -2.733 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.756 -4.643 -3.372 1.00 0.00 C ATOM 0 H LEU A 39 7.865 -7.063 -6.266 1.00 0.00 H new ATOM 0 HA LEU A 39 7.612 -4.288 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.522 -6.099 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.151 -4.441 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 39 6.913 -6.435 -4.517 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.203 -7.020 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.588 -7.550 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.725 -6.098 -2.104 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.922 -5.006 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.395 -4.007 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.373 -4.068 -4.215 1.00 0.00 H new ATOM 583 N ARG A 40 10.492 -5.364 -7.389 1.00 0.00 N ATOM 584 CA ARG A 40 11.706 -4.955 -8.087 1.00 0.00 C ATOM 585 C ARG A 40 11.375 -4.334 -9.441 1.00 0.00 C ATOM 586 O ARG A 40 12.090 -3.455 -9.923 1.00 0.00 O ATOM 587 CB ARG A 40 12.638 -6.154 -8.277 1.00 0.00 C ATOM 588 CG ARG A 40 13.946 -5.803 -8.967 1.00 0.00 C ATOM 589 CD ARG A 40 14.694 -7.051 -9.410 1.00 0.00 C ATOM 590 NE ARG A 40 15.330 -6.875 -10.713 1.00 0.00 N ATOM 591 CZ ARG A 40 16.472 -6.216 -10.898 1.00 0.00 C ATOM 592 NH1 ARG A 40 17.107 -5.673 -9.866 1.00 0.00 N ATOM 593 NH2 ARG A 40 16.982 -6.102 -12.116 1.00 0.00 N ATOM 0 H ARG A 40 10.370 -6.374 -7.311 1.00 0.00 H new ATOM 0 HA ARG A 40 12.209 -4.204 -7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.857 -6.592 -7.303 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.122 -6.916 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.744 -5.172 -9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 40 14.572 -5.223 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.452 -7.302 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.002 -7.892 -9.455 1.00 0.00 H new ATOM 0 HE ARG A 40 14.872 -7.281 -11.529 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.720 -5.760 -8.926 1.00 0.00 H new ATOM 0 HH12 ARG A 40 17.982 -5.169 -10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 40 16.500 -6.519 -12.912 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.857 -5.597 -12.257 1.00 0.00 H new ATOM 607 N ASP A 41 10.287 -4.797 -10.049 1.00 0.00 N ATOM 608 CA ASP A 41 9.864 -4.287 -11.348 1.00 0.00 C ATOM 609 C ASP A 41 9.279 -2.883 -11.218 1.00 0.00 C ATOM 610 O ASP A 41 9.385 -2.069 -12.135 1.00 0.00 O ATOM 611 CB ASP A 41 8.832 -5.225 -11.976 1.00 0.00 C ATOM 612 CG ASP A 41 9.403 -6.598 -12.270 1.00 0.00 C ATOM 613 OD1 ASP A 41 9.950 -7.225 -11.338 1.00 0.00 O ATOM 614 OD2 ASP A 41 9.304 -7.047 -13.431 1.00 0.00 O ATOM 0 H ASP A 41 9.683 -5.523 -9.663 1.00 0.00 H new ATOM 0 HA ASP A 41 10.741 -4.238 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.980 -5.325 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.459 -4.784 -12.900 1.00 0.00 H new ATOM 619 N VAL A 42 8.661 -2.608 -10.074 1.00 0.00 N ATOM 620 CA VAL A 42 8.059 -1.304 -9.826 1.00 0.00 C ATOM 621 C VAL A 42 9.057 -0.351 -9.178 1.00 0.00 C ATOM 622 O VAL A 42 9.000 0.860 -9.388 1.00 0.00 O ATOM 623 CB VAL A 42 6.818 -1.420 -8.921 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.668 -2.075 -9.672 1.00 0.00 C ATOM 625 CG2 VAL A 42 7.151 -2.198 -7.657 1.00 0.00 C ATOM 0 H VAL A 42 8.564 -3.271 -9.305 1.00 0.00 H new ATOM 0 HA VAL A 42 7.758 -0.907 -10.795 1.00 0.00 H new ATOM 0 HB VAL A 42 6.507 -0.416 -8.631 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.800 -2.148 -9.016 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.414 -1.473 -10.545 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.965 -3.073 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.263 -2.270 -7.029 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.489 -3.199 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.941 -1.683 -7.110 1.00 0.00 H new ATOM 635 N THR A 43 9.972 -0.906 -8.390 1.00 0.00 N ATOM 636 CA THR A 43 10.983 -0.104 -7.710 1.00 0.00 C ATOM 637 C THR A 43 12.385 -0.620 -8.019 1.00 0.00 C ATOM 638 O THR A 43 12.696 -1.787 -7.777 1.00 0.00 O ATOM 639 CB THR A 43 10.745 -0.118 -6.200 1.00 0.00 C ATOM 640 OG1 THR A 43 11.119 -1.366 -5.644 1.00 0.00 O ATOM 641 CG2 THR A 43 9.302 0.140 -5.819 1.00 0.00 C ATOM 0 H THR A 43 10.034 -1.907 -8.206 1.00 0.00 H new ATOM 0 HA THR A 43 10.903 0.920 -8.074 1.00 0.00 H new ATOM 0 HB THR A 43 11.359 0.691 -5.804 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.521 -2.066 -5.980 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.202 0.116 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.997 1.118 -6.190 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.667 -0.629 -6.258 1.00 0.00 H new ATOM 649 N GLN A 44 13.228 0.257 -8.556 1.00 0.00 N ATOM 650 CA GLN A 44 14.598 -0.109 -8.898 1.00 0.00 C ATOM 651 C GLN A 44 15.589 0.893 -8.312 1.00 0.00 C ATOM 652 O GLN A 44 16.157 1.714 -9.033 1.00 0.00 O ATOM 653 CB GLN A 44 14.765 -0.183 -10.417 1.00 0.00 C ATOM 654 CG GLN A 44 13.649 -0.944 -11.115 1.00 0.00 C ATOM 655 CD GLN A 44 12.951 -0.118 -12.178 1.00 0.00 C ATOM 656 OE1 GLN A 44 11.840 0.369 -11.972 1.00 0.00 O ATOM 657 NE2 GLN A 44 13.603 0.045 -13.323 1.00 0.00 N ATOM 0 H GLN A 44 12.986 1.226 -8.764 1.00 0.00 H new ATOM 0 HA GLN A 44 14.804 -1.090 -8.470 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.810 0.829 -10.819 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.718 -0.660 -10.647 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.060 -1.844 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 44 12.918 -1.268 -10.374 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.523 -0.377 -13.451 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.184 0.592 -14.075 1.00 0.00 H new ATOM 666 N PHE A 45 15.791 0.819 -7.000 1.00 0.00 N ATOM 667 CA PHE A 45 16.712 1.720 -6.317 1.00 0.00 C ATOM 668 C PHE A 45 17.971 0.979 -5.877 1.00 0.00 C ATOM 669 O PHE A 45 19.086 1.370 -6.222 1.00 0.00 O ATOM 670 CB PHE A 45 16.028 2.360 -5.106 1.00 0.00 C ATOM 671 CG PHE A 45 16.199 3.851 -5.039 1.00 0.00 C ATOM 672 CD1 PHE A 45 15.306 4.692 -5.683 1.00 0.00 C ATOM 673 CD2 PHE A 45 17.252 4.409 -4.333 1.00 0.00 C ATOM 674 CE1 PHE A 45 15.460 6.065 -5.623 1.00 0.00 C ATOM 675 CE2 PHE A 45 17.412 5.780 -4.270 1.00 0.00 C ATOM 676 CZ PHE A 45 16.515 6.610 -4.915 1.00 0.00 C ATOM 0 H PHE A 45 15.330 0.145 -6.389 1.00 0.00 H new ATOM 0 HA PHE A 45 17.002 2.504 -7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.964 2.125 -5.134 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.429 1.915 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.481 4.271 -6.238 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.956 3.765 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.757 6.711 -6.129 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.238 6.203 -3.717 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.638 7.682 -4.866 1.00 0.00 H new ATOM 686 N HIS A 46 17.784 -0.092 -5.113 1.00 0.00 N ATOM 687 CA HIS A 46 18.905 -0.889 -4.626 1.00 0.00 C ATOM 688 C HIS A 46 18.437 -2.269 -4.175 1.00 0.00 C ATOM 689 O HIS A 46 19.011 -2.861 -3.261 1.00 0.00 O ATOM 690 CB HIS A 46 19.604 -0.170 -3.470 1.00 0.00 C ATOM 691 CG HIS A 46 21.098 -0.235 -3.542 1.00 0.00 C ATOM 692 ND1 HIS A 46 21.936 0.667 -2.926 1.00 0.00 N ATOM 693 CD2 HIS A 46 21.905 -1.125 -4.174 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.198 0.308 -3.197 1.00 0.00 C ATOM 695 NE2 HIS A 46 23.234 -0.774 -3.952 1.00 0.00 N ATOM 0 H HIS A 46 16.867 -0.428 -4.818 1.00 0.00 H new ATOM 0 HA HIS A 46 19.612 -1.016 -5.446 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.294 0.875 -3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.274 -0.608 -2.528 1.00 0.00 H new ATOM 0 HD2 HIS A 46 21.570 -1.971 -4.756 1.00 0.00 H new ATOM 0 HE1 HIS A 46 24.072 0.835 -2.844 1.00 0.00 H new ATOM 0 HE2 HIS A 46 24.064 -1.254 -4.301 1.00 0.00 H new ATOM 703 N LEU A 47 17.393 -2.776 -4.823 1.00 0.00 N ATOM 704 CA LEU A 47 16.849 -4.087 -4.488 1.00 0.00 C ATOM 705 C LEU A 47 17.176 -5.105 -5.576 1.00 0.00 C ATOM 706 O LEU A 47 16.707 -4.991 -6.708 1.00 0.00 O ATOM 707 CB LEU A 47 15.334 -3.999 -4.294 1.00 0.00 C ATOM 708 CG LEU A 47 14.860 -2.838 -3.418 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.355 -2.660 -3.536 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.259 -3.069 -1.968 1.00 0.00 C ATOM 0 H LEU A 47 16.907 -2.299 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 47 17.309 -4.417 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.862 -3.912 -5.273 1.00 0.00 H new ATOM 0 HB3 LEU A 47 14.985 -4.933 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 47 15.341 -1.924 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.036 -1.830 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.094 -2.450 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.854 -3.573 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.914 -2.234 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.805 -3.992 -1.608 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.344 -3.146 -1.897 1.00 0.00 H new ATOM 722 N ALA A 48 17.985 -6.100 -5.225 1.00 0.00 N ATOM 723 CA ALA A 48 18.374 -7.137 -6.173 1.00 0.00 C ATOM 724 C ALA A 48 18.724 -8.437 -5.455 1.00 0.00 C ATOM 725 O ALA A 48 19.896 -8.738 -5.230 1.00 0.00 O ATOM 726 CB ALA A 48 19.550 -6.666 -7.015 1.00 0.00 C ATOM 0 H ALA A 48 18.383 -6.210 -4.292 1.00 0.00 H new ATOM 0 HA ALA A 48 17.525 -7.332 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 48 19.831 -7.450 -7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 48 19.267 -5.768 -7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.396 -6.442 -6.365 1.00 0.00 H new ATOM 732 N ARG A 49 17.697 -9.204 -5.099 1.00 0.00 N ATOM 733 CA ARG A 49 17.890 -10.476 -4.408 1.00 0.00 C ATOM 734 C ARG A 49 18.480 -10.260 -3.017 1.00 0.00 C ATOM 735 O ARG A 49 17.776 -10.358 -2.012 1.00 0.00 O ATOM 736 CB ARG A 49 18.800 -11.396 -5.228 1.00 0.00 C ATOM 737 CG ARG A 49 18.059 -12.540 -5.901 1.00 0.00 C ATOM 738 CD ARG A 49 18.890 -13.174 -7.005 1.00 0.00 C ATOM 739 NE ARG A 49 19.024 -14.619 -6.830 1.00 0.00 N ATOM 740 CZ ARG A 49 19.833 -15.186 -5.937 1.00 0.00 C ATOM 741 NH1 ARG A 49 20.579 -14.436 -5.136 1.00 0.00 N ATOM 742 NH2 ARG A 49 19.895 -16.507 -5.846 1.00 0.00 N ATOM 0 H ARG A 49 16.721 -8.967 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 49 16.915 -10.950 -4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 49 19.309 -10.805 -5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 49 19.571 -11.807 -4.576 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.803 -13.295 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 49 17.121 -12.172 -6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 49 18.428 -12.967 -7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 49 19.880 -12.718 -7.021 1.00 0.00 H new ATOM 0 HE ARG A 49 18.465 -15.229 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 49 20.535 -13.419 -5.202 1.00 0.00 H new ATOM 0 HH12 ARG A 49 21.197 -14.876 -4.454 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.324 -17.088 -6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.514 -16.943 -5.162 1.00 0.00 H new ATOM 756 N GLY A 50 19.776 -9.970 -2.966 1.00 0.00 N ATOM 757 CA GLY A 50 20.440 -9.749 -1.694 1.00 0.00 C ATOM 758 C GLY A 50 19.759 -8.685 -0.854 1.00 0.00 C ATOM 759 O GLY A 50 19.837 -8.710 0.374 1.00 0.00 O ATOM 0 H GLY A 50 20.379 -9.884 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.467 -10.685 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.474 -9.456 -1.875 1.00 0.00 H new ATOM 763 N GLU A 51 19.090 -7.748 -1.518 1.00 0.00 N ATOM 764 CA GLU A 51 18.392 -6.671 -0.825 1.00 0.00 C ATOM 765 C GLU A 51 16.882 -6.866 -0.896 1.00 0.00 C ATOM 766 O GLU A 51 16.151 -6.458 0.007 1.00 0.00 O ATOM 767 CB GLU A 51 18.774 -5.318 -1.428 1.00 0.00 C ATOM 768 CG GLU A 51 20.185 -4.874 -1.082 1.00 0.00 C ATOM 769 CD GLU A 51 20.294 -3.375 -0.888 1.00 0.00 C ATOM 770 OE1 GLU A 51 19.442 -2.805 -0.174 1.00 0.00 O ATOM 771 OE2 GLU A 51 21.231 -2.769 -1.449 1.00 0.00 O ATOM 0 H GLU A 51 19.016 -7.713 -2.535 1.00 0.00 H new ATOM 0 HA GLU A 51 18.692 -6.692 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.675 -5.372 -2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.069 -4.563 -1.080 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.508 -5.379 -0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.864 -5.184 -1.876 1.00 0.00 H new ATOM 778 N LEU A 52 16.419 -7.492 -1.974 1.00 0.00 N ATOM 779 CA LEU A 52 14.995 -7.739 -2.161 1.00 0.00 C ATOM 780 C LEU A 52 14.507 -8.846 -1.231 1.00 0.00 C ATOM 781 O LEU A 52 13.453 -8.727 -0.607 1.00 0.00 O ATOM 782 CB LEU A 52 14.708 -8.117 -3.615 1.00 0.00 C ATOM 783 CG LEU A 52 13.229 -8.120 -4.004 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.612 -6.751 -3.765 1.00 0.00 C ATOM 785 CD2 LEU A 52 13.063 -8.536 -5.458 1.00 0.00 C ATOM 0 H LEU A 52 17.010 -7.837 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 52 14.459 -6.822 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.238 -7.422 -4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 52 15.120 -9.108 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 52 12.708 -8.844 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.559 -6.772 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.700 -6.492 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.134 -6.007 -4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 52 12.005 -8.533 -5.719 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.597 -7.835 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.468 -9.538 -5.598 1.00 0.00 H new ATOM 797 N GLU A 53 15.282 -9.922 -1.143 1.00 0.00 N ATOM 798 CA GLU A 53 14.928 -11.051 -0.290 1.00 0.00 C ATOM 799 C GLU A 53 14.973 -10.655 1.183 1.00 0.00 C ATOM 800 O GLU A 53 14.162 -11.121 1.984 1.00 0.00 O ATOM 801 CB GLU A 53 15.876 -12.225 -0.543 1.00 0.00 C ATOM 802 CG GLU A 53 15.926 -12.663 -1.999 1.00 0.00 C ATOM 803 CD GLU A 53 17.094 -13.585 -2.289 1.00 0.00 C ATOM 804 OE1 GLU A 53 18.202 -13.320 -1.776 1.00 0.00 O ATOM 805 OE2 GLU A 53 16.901 -14.572 -3.030 1.00 0.00 O ATOM 0 H GLU A 53 16.159 -10.036 -1.652 1.00 0.00 H new ATOM 0 HA GLU A 53 13.910 -11.355 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 53 16.880 -11.947 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.567 -13.070 0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.995 -13.170 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 53 15.995 -11.782 -2.638 1.00 0.00 H new ATOM 812 N SER A 54 15.922 -9.795 1.531 1.00 0.00 N ATOM 813 CA SER A 54 16.071 -9.336 2.908 1.00 0.00 C ATOM 814 C SER A 54 14.807 -8.628 3.385 1.00 0.00 C ATOM 815 O SER A 54 14.469 -8.672 4.568 1.00 0.00 O ATOM 816 CB SER A 54 17.272 -8.397 3.029 1.00 0.00 C ATOM 817 OG SER A 54 17.562 -8.111 4.385 1.00 0.00 O ATOM 0 H SER A 54 16.600 -9.401 0.879 1.00 0.00 H new ATOM 0 HA SER A 54 16.237 -10.209 3.539 1.00 0.00 H new ATOM 0 HB2 SER A 54 18.142 -8.852 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.067 -7.469 2.494 1.00 0.00 H new ATOM 0 HG SER A 54 18.335 -7.510 4.435 1.00 0.00 H new ATOM 823 N LEU A 55 14.113 -7.977 2.458 1.00 0.00 N ATOM 824 CA LEU A 55 12.887 -7.260 2.784 1.00 0.00 C ATOM 825 C LEU A 55 11.818 -8.216 3.302 1.00 0.00 C ATOM 826 O LEU A 55 11.753 -9.374 2.889 1.00 0.00 O ATOM 827 CB LEU A 55 12.367 -6.511 1.553 1.00 0.00 C ATOM 828 CG LEU A 55 12.843 -5.063 1.428 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.622 -4.550 0.014 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.127 -4.178 2.438 1.00 0.00 C ATOM 0 H LEU A 55 14.379 -7.931 1.474 1.00 0.00 H new ATOM 0 HA LEU A 55 13.115 -6.540 3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.671 -7.056 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.277 -6.519 1.575 1.00 0.00 H new ATOM 0 HG LEU A 55 13.912 -5.031 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.966 -3.518 -0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.181 -5.168 -0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.560 -4.595 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.478 -3.151 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.053 -4.214 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.337 -4.534 3.447 1.00 0.00 H new ATOM 842 N SER A 56 10.981 -7.724 4.209 1.00 0.00 N ATOM 843 CA SER A 56 9.913 -8.534 4.784 1.00 0.00 C ATOM 844 C SER A 56 8.570 -7.820 4.675 1.00 0.00 C ATOM 845 O SER A 56 8.481 -6.722 4.127 1.00 0.00 O ATOM 846 CB SER A 56 10.218 -8.853 6.250 1.00 0.00 C ATOM 847 OG SER A 56 10.688 -7.705 6.934 1.00 0.00 O ATOM 0 H SER A 56 11.021 -6.768 4.562 1.00 0.00 H new ATOM 0 HA SER A 56 9.855 -9.466 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.319 -9.229 6.738 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.965 -9.645 6.305 1.00 0.00 H new ATOM 0 HG SER A 56 10.874 -7.934 7.868 1.00 0.00 H new ATOM 853 N GLN A 57 7.525 -8.453 5.201 1.00 0.00 N ATOM 854 CA GLN A 57 6.186 -7.878 5.162 1.00 0.00 C ATOM 855 C GLN A 57 6.133 -6.561 5.929 1.00 0.00 C ATOM 856 O GLN A 57 5.333 -5.680 5.613 1.00 0.00 O ATOM 857 CB GLN A 57 5.170 -8.863 5.746 1.00 0.00 C ATOM 858 CG GLN A 57 3.824 -8.841 5.040 1.00 0.00 C ATOM 859 CD GLN A 57 3.206 -10.220 4.921 1.00 0.00 C ATOM 860 OE1 GLN A 57 2.944 -10.703 3.820 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.969 -10.861 6.059 1.00 0.00 N ATOM 0 H GLN A 57 7.581 -9.363 5.658 1.00 0.00 H new ATOM 0 HA GLN A 57 5.934 -7.679 4.120 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.582 -9.871 5.693 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.021 -8.635 6.801 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.143 -8.187 5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.947 -8.415 4.044 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.202 -10.422 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.554 -11.792 6.043 1.00 0.00 H new ATOM 870 N VAL A 58 6.987 -6.433 6.940 1.00 0.00 N ATOM 871 CA VAL A 58 7.033 -5.223 7.752 1.00 0.00 C ATOM 872 C VAL A 58 8.073 -4.241 7.223 1.00 0.00 C ATOM 873 O VAL A 58 7.774 -3.068 6.999 1.00 0.00 O ATOM 874 CB VAL A 58 7.353 -5.547 9.224 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.201 -4.307 10.090 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.463 -6.671 9.729 1.00 0.00 C ATOM 0 H VAL A 58 7.656 -7.152 7.216 1.00 0.00 H new ATOM 0 HA VAL A 58 6.045 -4.767 7.693 1.00 0.00 H new ATOM 0 HB VAL A 58 8.389 -5.879 9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.431 -4.556 11.126 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.886 -3.534 9.742 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.177 -3.941 10.024 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.704 -6.886 10.770 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.418 -6.370 9.653 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.628 -7.564 9.127 1.00 0.00 H new ATOM 886 N ASP A 59 9.294 -4.728 7.027 1.00 0.00 N ATOM 887 CA ASP A 59 10.378 -3.890 6.526 1.00 0.00 C ATOM 888 C ASP A 59 10.024 -3.287 5.170 1.00 0.00 C ATOM 889 O ASP A 59 10.458 -2.185 4.838 1.00 0.00 O ATOM 890 CB ASP A 59 11.668 -4.706 6.410 1.00 0.00 C ATOM 891 CG ASP A 59 12.481 -4.687 7.690 1.00 0.00 C ATOM 892 OD1 ASP A 59 12.605 -3.603 8.299 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.992 -5.756 8.084 1.00 0.00 O ATOM 0 H ASP A 59 9.558 -5.697 7.207 1.00 0.00 H new ATOM 0 HA ASP A 59 10.529 -3.076 7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.421 -5.737 6.155 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.272 -4.311 5.593 1.00 0.00 H new ATOM 898 N LEU A 60 9.232 -4.017 4.391 1.00 0.00 N ATOM 899 CA LEU A 60 8.820 -3.552 3.072 1.00 0.00 C ATOM 900 C LEU A 60 8.016 -2.260 3.174 1.00 0.00 C ATOM 901 O LEU A 60 8.335 -1.264 2.526 1.00 0.00 O ATOM 902 CB LEU A 60 7.992 -4.626 2.364 1.00 0.00 C ATOM 903 CG LEU A 60 7.453 -4.227 0.989 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.594 -3.854 0.057 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.623 -5.355 0.395 1.00 0.00 C ATOM 0 H LEU A 60 8.863 -4.932 4.650 1.00 0.00 H new ATOM 0 HA LEU A 60 9.720 -3.353 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.605 -5.520 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.151 -4.895 3.003 1.00 0.00 H new ATOM 0 HG LEU A 60 6.811 -3.355 1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.192 -3.573 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.147 -3.014 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.263 -4.707 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.247 -5.054 -0.583 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.243 -6.245 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.783 -5.575 1.054 1.00 0.00 H new ATOM 917 N ALA A 61 6.968 -2.285 3.992 1.00 0.00 N ATOM 918 CA ALA A 61 6.116 -1.116 4.179 1.00 0.00 C ATOM 919 C ALA A 61 6.917 0.080 4.681 1.00 0.00 C ATOM 920 O ALA A 61 6.635 1.223 4.324 1.00 0.00 O ATOM 921 CB ALA A 61 4.985 -1.438 5.144 1.00 0.00 C ATOM 0 H ALA A 61 6.689 -3.102 4.536 1.00 0.00 H new ATOM 0 HA ALA A 61 5.692 -0.851 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.357 -0.557 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.386 -2.255 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.401 -1.733 6.107 1.00 0.00 H new ATOM 927 N SER A 62 7.918 -0.191 5.513 1.00 0.00 N ATOM 928 CA SER A 62 8.758 0.866 6.066 1.00 0.00 C ATOM 929 C SER A 62 9.821 1.304 5.061 1.00 0.00 C ATOM 930 O SER A 62 10.252 2.457 5.064 1.00 0.00 O ATOM 931 CB SER A 62 9.427 0.392 7.357 1.00 0.00 C ATOM 932 OG SER A 62 9.769 -0.982 7.280 1.00 0.00 O ATOM 0 H SER A 62 8.167 -1.132 5.819 1.00 0.00 H new ATOM 0 HA SER A 62 8.120 1.721 6.287 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.323 0.983 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.755 0.556 8.200 1.00 0.00 H new ATOM 0 HG SER A 62 10.128 -1.180 6.390 1.00 0.00 H new ATOM 938 N LYS A 63 10.239 0.377 4.205 1.00 0.00 N ATOM 939 CA LYS A 63 11.254 0.670 3.199 1.00 0.00 C ATOM 940 C LYS A 63 10.709 1.619 2.135 1.00 0.00 C ATOM 941 O LYS A 63 11.394 2.551 1.714 1.00 0.00 O ATOM 942 CB LYS A 63 11.743 -0.626 2.546 1.00 0.00 C ATOM 943 CG LYS A 63 13.151 -1.022 2.963 1.00 0.00 C ATOM 944 CD LYS A 63 14.186 -0.051 2.418 1.00 0.00 C ATOM 945 CE LYS A 63 15.411 0.019 3.315 1.00 0.00 C ATOM 946 NZ LYS A 63 15.145 0.792 4.559 1.00 0.00 N ATOM 0 H LYS A 63 9.891 -0.582 4.188 1.00 0.00 H new ATOM 0 HA LYS A 63 12.093 1.157 3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.057 -1.433 2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.712 -0.512 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.215 -1.051 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.369 -2.028 2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.484 -0.360 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.743 0.941 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.728 -0.991 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.234 0.481 2.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.045 1.005 5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.661 1.681 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.543 0.231 5.194 1.00 0.00 H new ATOM 960 N LEU A 64 9.477 1.374 1.702 1.00 0.00 N ATOM 961 CA LEU A 64 8.844 2.207 0.686 1.00 0.00 C ATOM 962 C LEU A 64 8.695 3.645 1.172 1.00 0.00 C ATOM 963 O LEU A 64 8.737 4.586 0.378 1.00 0.00 O ATOM 964 CB LEU A 64 7.476 1.638 0.309 1.00 0.00 C ATOM 965 CG LEU A 64 7.482 0.175 -0.136 1.00 0.00 C ATOM 966 CD1 LEU A 64 6.103 -0.443 0.041 1.00 0.00 C ATOM 967 CD2 LEU A 64 7.936 0.062 -1.583 1.00 0.00 C ATOM 0 H LEU A 64 8.897 0.605 2.039 1.00 0.00 H new ATOM 0 HA LEU A 64 9.485 2.208 -0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.810 1.738 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.056 2.244 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 64 8.186 -0.373 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.127 -1.484 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.815 -0.394 1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.378 0.106 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.935 -0.986 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.256 0.624 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.944 0.466 -1.681 1.00 0.00 H new ATOM 979 N ILE A 65 8.519 3.809 2.479 1.00 0.00 N ATOM 980 CA ILE A 65 8.362 5.133 3.067 1.00 0.00 C ATOM 981 C ILE A 65 9.715 5.801 3.292 1.00 0.00 C ATOM 982 O ILE A 65 9.831 7.025 3.238 1.00 0.00 O ATOM 983 CB ILE A 65 7.606 5.068 4.408 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.315 4.262 4.251 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.303 6.468 4.917 1.00 0.00 C ATOM 986 CD1 ILE A 65 5.695 3.849 5.568 1.00 0.00 C ATOM 0 H ILE A 65 8.482 3.042 3.150 1.00 0.00 H new ATOM 0 HA ILE A 65 7.781 5.724 2.359 1.00 0.00 H new ATOM 0 HB ILE A 65 8.240 4.567 5.140 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.593 4.854 3.689 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.523 3.369 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.769 6.403 5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.236 7.012 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 65 6.686 6.994 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.784 3.282 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.399 3.230 6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.455 4.738 6.152 1.00 0.00 H new ATOM 998 N SER A 66 10.737 4.989 3.546 1.00 0.00 N ATOM 999 CA SER A 66 12.081 5.501 3.779 1.00 0.00 C ATOM 1000 C SER A 66 12.823 5.707 2.462 1.00 0.00 C ATOM 1001 O SER A 66 13.671 6.592 2.348 1.00 0.00 O ATOM 1002 CB SER A 66 12.866 4.544 4.677 1.00 0.00 C ATOM 1003 OG SER A 66 14.191 5.004 4.878 1.00 0.00 O ATOM 0 H SER A 66 10.659 3.973 3.595 1.00 0.00 H new ATOM 0 HA SER A 66 11.993 6.466 4.278 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.362 4.447 5.638 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.887 3.552 4.226 1.00 0.00 H new ATOM 0 HG SER A 66 14.671 4.375 5.457 1.00 0.00 H new ATOM 1009 N MET A 67 12.499 4.883 1.471 1.00 0.00 N ATOM 1010 CA MET A 67 13.136 4.975 0.163 1.00 0.00 C ATOM 1011 C MET A 67 12.510 6.087 -0.673 1.00 0.00 C ATOM 1012 O MET A 67 13.207 6.977 -1.160 1.00 0.00 O ATOM 1013 CB MET A 67 13.022 3.641 -0.578 1.00 0.00 C ATOM 1014 CG MET A 67 14.131 2.659 -0.237 1.00 0.00 C ATOM 1015 SD MET A 67 14.421 1.455 -1.548 1.00 0.00 S ATOM 1016 CE MET A 67 12.936 0.460 -1.428 1.00 0.00 C ATOM 0 H MET A 67 11.800 4.145 1.549 1.00 0.00 H new ATOM 0 HA MET A 67 14.189 5.210 0.317 1.00 0.00 H new ATOM 0 HB2 MET A 67 12.060 3.186 -0.343 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.032 3.829 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 67 15.052 3.210 -0.045 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.875 2.134 0.683 1.00 0.00 H new ATOM 0 HE1 MET A 67 13.196 -0.542 -1.087 1.00 0.00 H new ATOM 0 HE2 MET A 67 12.248 0.918 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.460 0.398 -2.406 1.00 0.00 H new ATOM 1026 N TYR A 68 11.193 6.030 -0.834 1.00 0.00 N ATOM 1027 CA TYR A 68 10.475 7.033 -1.612 1.00 0.00 C ATOM 1028 C TYR A 68 9.693 7.974 -0.700 1.00 0.00 C ATOM 1029 O TYR A 68 10.039 9.148 -0.562 1.00 0.00 O ATOM 1030 CB TYR A 68 9.524 6.356 -2.601 1.00 0.00 C ATOM 1031 CG TYR A 68 10.218 5.411 -3.555 1.00 0.00 C ATOM 1032 CD1 TYR A 68 11.023 5.892 -4.579 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.068 4.035 -3.431 1.00 0.00 C ATOM 1034 CE1 TYR A 68 11.660 5.031 -5.453 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.702 3.167 -4.300 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.496 3.670 -5.309 1.00 0.00 C ATOM 1037 OH TYR A 68 12.128 2.809 -6.177 1.00 0.00 O ATOM 0 H TYR A 68 10.601 5.301 -0.437 1.00 0.00 H new ATOM 0 HA TYR A 68 11.208 7.620 -2.166 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.766 5.805 -2.044 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.004 7.123 -3.176 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.154 6.958 -4.695 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.446 3.637 -2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.283 5.422 -6.244 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.576 2.100 -4.189 1.00 0.00 H new ATOM 0 HH TYR A 68 12.752 2.241 -5.678 1.00 0.00 H new ATOM 1047 N GLY A 69 8.640 7.452 -0.082 1.00 0.00 N ATOM 1048 CA GLY A 69 7.827 8.261 0.808 1.00 0.00 C ATOM 1049 C GLY A 69 6.546 7.563 1.220 1.00 0.00 C ATOM 1050 O GLY A 69 6.188 6.526 0.661 1.00 0.00 O ATOM 0 H GLY A 69 8.334 6.484 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.405 8.508 1.699 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.582 9.202 0.316 1.00 0.00 H new ATOM 1054 N ALA A 70 5.855 8.130 2.203 1.00 0.00 N ATOM 1055 CA ALA A 70 4.606 7.555 2.691 1.00 0.00 C ATOM 1056 C ALA A 70 3.498 7.684 1.652 1.00 0.00 C ATOM 1057 O ALA A 70 2.712 6.758 1.453 1.00 0.00 O ATOM 1058 CB ALA A 70 4.192 8.225 3.993 1.00 0.00 C ATOM 0 H ALA A 70 6.138 8.987 2.678 1.00 0.00 H new ATOM 0 HA ALA A 70 4.771 6.494 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.259 7.787 4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.970 8.076 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.051 9.293 3.824 1.00 0.00 H new ATOM 1064 N GLN A 71 3.440 8.836 0.994 1.00 0.00 N ATOM 1065 CA GLN A 71 2.425 9.085 -0.023 1.00 0.00 C ATOM 1066 C GLN A 71 2.833 8.477 -1.362 1.00 0.00 C ATOM 1067 O GLN A 71 1.984 8.059 -2.150 1.00 0.00 O ATOM 1068 CB GLN A 71 2.190 10.588 -0.182 1.00 0.00 C ATOM 1069 CG GLN A 71 1.580 11.241 1.047 1.00 0.00 C ATOM 1070 CD GLN A 71 2.609 11.970 1.890 1.00 0.00 C ATOM 1071 OE1 GLN A 71 2.866 13.156 1.688 1.00 0.00 O ATOM 1072 NE2 GLN A 71 3.205 11.260 2.842 1.00 0.00 N ATOM 0 H GLN A 71 4.084 9.612 1.146 1.00 0.00 H new ATOM 0 HA GLN A 71 1.498 8.612 0.302 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.139 11.074 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.534 10.757 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.807 11.944 0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.092 10.479 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.961 10.279 2.975 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.906 11.696 3.440 1.00 0.00 H new ATOM 1081 N GLU A 72 4.137 8.433 -1.613 1.00 0.00 N ATOM 1082 CA GLU A 72 4.657 7.877 -2.858 1.00 0.00 C ATOM 1083 C GLU A 72 4.662 6.351 -2.812 1.00 0.00 C ATOM 1084 O GLU A 72 4.525 5.689 -3.841 1.00 0.00 O ATOM 1085 CB GLU A 72 6.072 8.400 -3.123 1.00 0.00 C ATOM 1086 CG GLU A 72 6.186 9.225 -4.396 1.00 0.00 C ATOM 1087 CD GLU A 72 6.429 10.696 -4.119 1.00 0.00 C ATOM 1088 OE1 GLU A 72 5.658 11.288 -3.333 1.00 0.00 O ATOM 1089 OE2 GLU A 72 7.390 11.255 -4.685 1.00 0.00 O ATOM 0 H GLU A 72 4.853 8.775 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 72 4.004 8.194 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.391 9.008 -2.276 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.757 7.555 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.001 8.835 -5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.271 9.115 -4.979 1.00 0.00 H new ATOM 1096 N ALA A 73 4.821 5.800 -1.614 1.00 0.00 N ATOM 1097 CA ALA A 73 4.843 4.353 -1.434 1.00 0.00 C ATOM 1098 C ALA A 73 3.459 3.749 -1.646 1.00 0.00 C ATOM 1099 O ALA A 73 3.329 2.595 -2.055 1.00 0.00 O ATOM 1100 CB ALA A 73 5.365 4.001 -0.050 1.00 0.00 C ATOM 0 H ALA A 73 4.937 6.334 -0.752 1.00 0.00 H new ATOM 0 HA ALA A 73 5.513 3.931 -2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.376 2.918 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.377 4.389 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.717 4.443 0.707 1.00 0.00 H new ATOM 1106 N VAL A 74 2.425 4.536 -1.364 1.00 0.00 N ATOM 1107 CA VAL A 74 1.050 4.078 -1.520 1.00 0.00 C ATOM 1108 C VAL A 74 0.674 3.945 -2.993 1.00 0.00 C ATOM 1109 O VAL A 74 -0.098 3.063 -3.368 1.00 0.00 O ATOM 1110 CB VAL A 74 0.058 5.035 -0.833 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.351 4.462 -0.864 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.493 5.322 0.598 1.00 0.00 C ATOM 0 H VAL A 74 2.514 5.494 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 74 0.989 3.099 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 74 0.054 5.976 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.036 5.154 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.662 4.316 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.366 3.505 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.221 6.000 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.531 4.389 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.481 5.782 0.593 1.00 0.00 H new ATOM 1122 N ARG A 75 1.221 4.827 -3.824 1.00 0.00 N ATOM 1123 CA ARG A 75 0.936 4.805 -5.254 1.00 0.00 C ATOM 1124 C ARG A 75 1.654 3.646 -5.940 1.00 0.00 C ATOM 1125 O ARG A 75 1.197 3.142 -6.967 1.00 0.00 O ATOM 1126 CB ARG A 75 1.344 6.133 -5.900 1.00 0.00 C ATOM 1127 CG ARG A 75 2.843 6.390 -5.883 1.00 0.00 C ATOM 1128 CD ARG A 75 3.288 7.153 -7.120 1.00 0.00 C ATOM 1129 NE ARG A 75 4.703 7.514 -7.062 1.00 0.00 N ATOM 1130 CZ ARG A 75 5.695 6.671 -7.342 1.00 0.00 C ATOM 1131 NH1 ARG A 75 5.432 5.419 -7.694 1.00 0.00 N ATOM 1132 NH2 ARG A 75 6.954 7.082 -7.270 1.00 0.00 N ATOM 0 H ARG A 75 1.863 5.564 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.137 4.664 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.994 6.146 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.839 6.948 -5.382 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.107 6.956 -4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.376 5.441 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.105 6.545 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.687 8.057 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 75 4.945 8.467 -6.791 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.466 5.098 -7.751 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.196 4.778 -7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 75 7.162 8.043 -7.000 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.714 6.437 -7.484 1.00 0.00 H new ATOM 1146 N VAL A 76 2.780 3.229 -5.371 1.00 0.00 N ATOM 1147 CA VAL A 76 3.557 2.130 -5.931 1.00 0.00 C ATOM 1148 C VAL A 76 2.798 0.811 -5.828 1.00 0.00 C ATOM 1149 O VAL A 76 2.742 0.039 -6.786 1.00 0.00 O ATOM 1150 CB VAL A 76 4.917 1.983 -5.223 1.00 0.00 C ATOM 1151 CG1 VAL A 76 5.785 0.958 -5.937 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.623 3.328 -5.139 1.00 0.00 C ATOM 0 H VAL A 76 3.175 3.635 -4.523 1.00 0.00 H new ATOM 0 HA VAL A 76 3.727 2.368 -6.981 1.00 0.00 H new ATOM 0 HB VAL A 76 4.741 1.628 -4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.741 0.869 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.281 -0.009 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.955 1.278 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.582 3.205 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.788 3.716 -6.144 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.006 4.028 -4.577 1.00 0.00 H new ATOM 1162 N VAL A 77 2.216 0.560 -4.661 1.00 0.00 N ATOM 1163 CA VAL A 77 1.459 -0.665 -4.433 1.00 0.00 C ATOM 1164 C VAL A 77 0.239 -0.735 -5.344 1.00 0.00 C ATOM 1165 O VAL A 77 -0.045 -1.773 -5.942 1.00 0.00 O ATOM 1166 CB VAL A 77 1.000 -0.778 -2.966 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.349 -2.130 -2.710 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.169 -0.555 -2.018 1.00 0.00 C ATOM 0 H VAL A 77 2.254 1.188 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 77 2.126 -1.496 -4.661 1.00 0.00 H new ATOM 0 HB VAL A 77 0.258 -0.002 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.032 -2.190 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.518 -2.245 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.066 -2.924 -2.917 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.823 -0.639 -0.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.937 -1.305 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.585 0.439 -2.181 1.00 0.00 H new ATOM 1178 N SER A 78 -0.483 0.378 -5.444 1.00 0.00 N ATOM 1179 CA SER A 78 -1.675 0.445 -6.281 1.00 0.00 C ATOM 1180 C SER A 78 -1.344 0.108 -7.732 1.00 0.00 C ATOM 1181 O SER A 78 -2.186 -0.411 -8.467 1.00 0.00 O ATOM 1182 CB SER A 78 -2.303 1.837 -6.199 1.00 0.00 C ATOM 1183 OG SER A 78 -3.552 1.874 -6.870 1.00 0.00 O ATOM 0 H SER A 78 -0.262 1.246 -4.955 1.00 0.00 H new ATOM 0 HA SER A 78 -2.389 -0.291 -5.911 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.439 2.117 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.628 2.570 -6.640 1.00 0.00 H new ATOM 0 HG SER A 78 -4.187 2.411 -6.351 1.00 0.00 H new ATOM 1189 N ARG A 79 -0.115 0.408 -8.140 1.00 0.00 N ATOM 1190 CA ARG A 79 0.325 0.138 -9.504 1.00 0.00 C ATOM 1191 C ARG A 79 0.640 -1.343 -9.693 1.00 0.00 C ATOM 1192 O ARG A 79 0.314 -1.930 -10.726 1.00 0.00 O ATOM 1193 CB ARG A 79 1.558 0.982 -9.840 1.00 0.00 C ATOM 1194 CG ARG A 79 1.246 2.206 -10.683 1.00 0.00 C ATOM 1195 CD ARG A 79 2.514 2.842 -11.231 1.00 0.00 C ATOM 1196 NE ARG A 79 2.244 4.115 -11.898 1.00 0.00 N ATOM 1197 CZ ARG A 79 1.741 4.215 -13.126 1.00 0.00 C ATOM 1198 NH1 ARG A 79 1.451 3.125 -13.824 1.00 0.00 N ATOM 1199 NH2 ARG A 79 1.527 5.411 -13.658 1.00 0.00 N ATOM 0 H ARG A 79 0.594 0.838 -7.546 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.486 0.406 -10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.033 1.302 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.280 0.361 -10.370 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.593 1.924 -11.509 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.703 2.935 -10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.220 3.002 -10.417 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.988 2.158 -11.934 1.00 0.00 H new ATOM 0 HE ARG A 79 2.453 4.976 -11.393 1.00 0.00 H new ATOM 0 HH11 ARG A 79 1.613 2.203 -13.420 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.066 3.209 -14.765 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.748 6.253 -13.126 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.142 5.489 -14.599 1.00 0.00 H new ATOM 1213 N SER A 80 1.275 -1.941 -8.691 1.00 0.00 N ATOM 1214 CA SER A 80 1.636 -3.354 -8.747 1.00 0.00 C ATOM 1215 C SER A 80 0.399 -4.239 -8.629 1.00 0.00 C ATOM 1216 O SER A 80 0.348 -5.328 -9.199 1.00 0.00 O ATOM 1217 CB SER A 80 2.628 -3.692 -7.635 1.00 0.00 C ATOM 1218 OG SER A 80 2.026 -3.566 -6.357 1.00 0.00 O ATOM 0 H SER A 80 1.551 -1.470 -7.830 1.00 0.00 H new ATOM 0 HA SER A 80 2.104 -3.545 -9.713 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.996 -4.709 -7.768 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.492 -3.030 -7.700 1.00 0.00 H new ATOM 0 HG SER A 80 1.318 -2.890 -6.394 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.594 -3.764 -7.884 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.829 -4.515 -7.691 1.00 0.00 C ATOM 1226 C LEU A 81 -2.525 -4.774 -9.023 1.00 0.00 C ATOM 1227 O LEU A 81 -3.141 -5.822 -9.219 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.769 -3.757 -6.750 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.356 -3.769 -5.277 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -3.211 -2.797 -4.477 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.466 -5.173 -4.705 1.00 0.00 C ATOM 0 H LEU A 81 -0.568 -2.864 -7.405 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.573 -5.476 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.837 -2.722 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.768 -4.185 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.316 -3.450 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.904 -2.818 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.083 -1.789 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.259 -3.086 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.168 -5.163 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.496 -5.519 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.812 -5.845 -5.261 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.422 -3.815 -9.937 1.00 0.00 N ATOM 1244 CA LEU A 82 -3.042 -3.941 -11.250 1.00 0.00 C ATOM 1245 C LEU A 82 -2.430 -5.099 -12.032 1.00 0.00 C ATOM 1246 O LEU A 82 -3.116 -5.779 -12.794 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.887 -2.639 -12.040 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.430 -1.391 -11.343 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.232 -0.163 -12.217 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -4.903 -1.572 -11.001 1.00 0.00 C ATOM 0 H LEU A 82 -1.915 -2.942 -9.792 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.103 -4.144 -11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.829 -2.486 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.394 -2.751 -12.999 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.876 -1.245 -10.416 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.624 0.715 -11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.169 -0.024 -12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.761 -0.299 -13.161 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.274 -0.675 -10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.471 -1.743 -11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.020 -2.428 -10.337 1.00 0.00 H new ATOM 1262 N ALA A 83 -1.133 -5.317 -11.836 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.428 -6.393 -12.522 1.00 0.00 C ATOM 1264 C ALA A 83 -0.879 -7.758 -12.013 1.00 0.00 C ATOM 1265 O ALA A 83 -0.881 -8.738 -12.758 1.00 0.00 O ATOM 1266 CB ALA A 83 1.076 -6.233 -12.346 1.00 0.00 C ATOM 0 H ALA A 83 -0.550 -4.763 -11.208 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.668 -6.333 -13.583 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.591 -7.043 -12.863 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.392 -5.277 -12.764 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.324 -6.265 -11.285 1.00 0.00 H new ATOM 1272 N MET A 84 -1.262 -7.813 -10.742 1.00 0.00 N ATOM 1273 CA MET A 84 -1.716 -9.059 -10.134 1.00 0.00 C ATOM 1274 C MET A 84 -3.242 -9.122 -10.062 1.00 0.00 C ATOM 1275 O MET A 84 -3.806 -10.103 -9.577 1.00 0.00 O ATOM 1276 CB MET A 84 -1.123 -9.209 -8.732 1.00 0.00 C ATOM 1277 CG MET A 84 0.280 -9.795 -8.725 1.00 0.00 C ATOM 1278 SD MET A 84 0.287 -11.576 -8.438 1.00 0.00 S ATOM 1279 CE MET A 84 0.152 -11.632 -6.653 1.00 0.00 C ATOM 0 H MET A 84 -1.267 -7.010 -10.113 1.00 0.00 H new ATOM 0 HA MET A 84 -1.372 -9.881 -10.763 1.00 0.00 H new ATOM 0 HB2 MET A 84 -1.102 -8.232 -8.249 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.777 -9.846 -8.136 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.763 -9.583 -9.679 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.871 -9.304 -7.952 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.036 -12.666 -6.329 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.053 -11.210 -6.207 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.715 -11.053 -6.335 1.00 0.00 H new ATOM 1289 N ASN A 85 -3.907 -8.074 -10.544 1.00 0.00 N ATOM 1290 CA ASN A 85 -5.365 -8.023 -10.527 1.00 0.00 C ATOM 1291 C ASN A 85 -5.894 -8.076 -9.098 1.00 0.00 C ATOM 1292 O ASN A 85 -6.329 -9.126 -8.623 1.00 0.00 O ATOM 1293 CB ASN A 85 -5.947 -9.180 -11.341 1.00 0.00 C ATOM 1294 CG ASN A 85 -7.349 -8.889 -11.838 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -7.844 -7.768 -11.717 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -8.000 -9.901 -12.403 1.00 0.00 N ATOM 0 H ASN A 85 -3.460 -7.252 -10.950 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.675 -7.080 -10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.298 -9.384 -12.192 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.962 -10.081 -10.728 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.947 -9.764 -12.756 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.552 -10.814 -12.483 1.00 0.00 H new ATOM 1303 N LEU A 86 -5.856 -6.935 -8.416 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.331 -6.850 -7.040 1.00 0.00 C ATOM 1305 C LEU A 86 -6.954 -5.485 -6.763 1.00 0.00 C ATOM 1306 O LEU A 86 -6.317 -4.608 -6.181 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.181 -7.106 -6.065 1.00 0.00 C ATOM 1308 CG LEU A 86 -4.535 -8.488 -6.173 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -3.178 -8.498 -5.488 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -5.445 -9.549 -5.574 1.00 0.00 C ATOM 0 H LEU A 86 -5.501 -6.057 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.095 -7.614 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.413 -6.349 -6.226 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.551 -6.973 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.387 -8.718 -7.228 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.734 -9.490 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.526 -7.765 -5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.300 -8.247 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.970 -10.526 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.624 -9.323 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.394 -9.559 -6.110 1.00 0.00 H new ATOM 1322 N MET A 87 -8.203 -5.315 -7.186 1.00 0.00 N ATOM 1323 CA MET A 87 -8.914 -4.056 -6.986 1.00 0.00 C ATOM 1324 C MET A 87 -9.336 -3.890 -5.528 1.00 0.00 C ATOM 1325 O MET A 87 -9.527 -2.770 -5.053 1.00 0.00 O ATOM 1326 CB MET A 87 -10.142 -3.992 -7.895 1.00 0.00 C ATOM 1327 CG MET A 87 -9.838 -3.482 -9.295 1.00 0.00 C ATOM 1328 SD MET A 87 -10.502 -1.833 -9.597 1.00 0.00 S ATOM 1329 CE MET A 87 -9.600 -0.876 -8.381 1.00 0.00 C ATOM 0 H MET A 87 -8.744 -6.032 -7.669 1.00 0.00 H new ATOM 0 HA MET A 87 -8.236 -3.241 -7.242 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.582 -4.987 -7.967 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.890 -3.345 -7.436 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.758 -3.467 -9.445 1.00 0.00 H new ATOM 0 HG3 MET A 87 -10.252 -4.175 -10.027 1.00 0.00 H new ATOM 0 HE1 MET A 87 -9.849 0.179 -8.491 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.872 -1.211 -7.380 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.529 -1.014 -8.531 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.482 -5.008 -4.824 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.884 -4.983 -3.421 1.00 0.00 C ATOM 1341 C GLU A 88 -8.945 -4.106 -2.596 1.00 0.00 C ATOM 1342 O GLU A 88 -9.391 -3.247 -1.835 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.909 -6.404 -2.852 1.00 0.00 C ATOM 1344 CG GLU A 88 -11.309 -6.975 -2.704 1.00 0.00 C ATOM 1345 CD GLU A 88 -11.849 -6.838 -1.294 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -11.055 -6.965 -0.339 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -13.067 -6.604 -1.145 1.00 0.00 O ATOM 0 H GLU A 88 -9.328 -5.943 -5.202 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.886 -4.558 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.326 -7.057 -3.502 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.420 -6.405 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.980 -6.467 -3.397 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.299 -8.028 -2.985 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.644 -4.329 -2.752 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.644 -3.560 -2.022 1.00 0.00 C ATOM 1356 C LEU A 89 -6.507 -2.155 -2.598 1.00 0.00 C ATOM 1357 O LEU A 89 -6.254 -1.196 -1.870 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.292 -4.275 -2.062 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.193 -5.523 -1.184 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -4.146 -6.480 -1.732 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -4.867 -5.138 0.252 1.00 0.00 C ATOM 0 H LEU A 89 -7.258 -5.036 -3.378 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.973 -3.476 -0.986 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.078 -4.557 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.517 -3.572 -1.756 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.158 -6.030 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.090 -7.362 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.421 -6.780 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.175 -5.985 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.800 -6.038 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.914 -4.609 0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.653 -4.491 0.643 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.673 -2.041 -3.912 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.567 -0.753 -4.587 1.00 0.00 C ATOM 1375 C VAL A 90 -7.676 0.195 -4.143 1.00 0.00 C ATOM 1376 O VAL A 90 -7.500 1.413 -4.136 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.625 -0.915 -6.118 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.344 0.412 -6.809 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.644 -1.982 -6.583 1.00 0.00 C ATOM 0 H VAL A 90 -6.881 -2.825 -4.530 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.601 -0.330 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.631 -1.235 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.390 0.276 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.089 1.146 -6.504 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.351 0.765 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.701 -2.081 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.632 -1.695 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.896 -2.935 -6.118 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.821 -0.371 -3.775 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.959 0.426 -3.331 1.00 0.00 C ATOM 1391 C ASP A 91 -9.659 1.114 -2.004 1.00 0.00 C ATOM 1392 O ASP A 91 -10.184 2.190 -1.718 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.202 -0.456 -3.193 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.438 0.342 -2.826 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.510 0.832 -1.679 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.335 0.479 -3.685 1.00 0.00 O ATOM 0 H ASP A 91 -8.985 -1.378 -3.775 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.147 1.194 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.377 -0.982 -4.132 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.023 -1.215 -2.431 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.812 0.485 -1.194 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.445 1.038 0.104 1.00 0.00 C ATOM 1403 C TYR A 92 -7.250 1.980 -0.021 1.00 0.00 C ATOM 1404 O TYR A 92 -7.129 2.947 0.730 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.121 -0.087 1.089 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.825 0.400 2.489 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.812 1.007 3.257 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.560 0.252 3.044 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.546 1.454 4.538 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.287 0.696 4.325 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.283 1.295 5.067 1.00 0.00 C ATOM 1412 OH TYR A 92 -7.014 1.739 6.341 1.00 0.00 O ATOM 0 H TYR A 92 -8.368 -0.407 -1.414 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.295 1.608 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.961 -0.780 1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.262 -0.646 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.803 1.131 2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.778 -0.217 2.466 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.323 1.925 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.298 0.574 4.742 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.078 1.550 6.563 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.369 1.688 -0.972 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.184 2.508 -1.192 1.00 0.00 C ATOM 1424 C LEU A 93 -5.531 3.771 -1.973 1.00 0.00 C ATOM 1425 O LEU A 93 -4.913 4.819 -1.785 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.117 1.708 -1.943 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.428 0.618 -1.121 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.336 -0.056 -1.937 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -2.854 1.200 0.162 1.00 0.00 C ATOM 0 H LEU A 93 -6.453 0.890 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.792 2.802 -0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.578 1.247 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.358 2.399 -2.311 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.171 -0.134 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -1.857 -0.829 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.773 -0.508 -2.827 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.594 0.685 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.368 0.410 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.125 1.972 -0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.658 1.635 0.756 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.525 3.665 -2.850 1.00 0.00 N ATOM 1442 CA ASN A 94 -6.954 4.799 -3.659 1.00 0.00 C ATOM 1443 C ASN A 94 -7.495 5.921 -2.779 1.00 0.00 C ATOM 1444 O ASN A 94 -7.085 7.076 -2.907 1.00 0.00 O ATOM 1445 CB ASN A 94 -8.021 4.360 -4.664 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.450 4.131 -6.050 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -6.357 4.601 -6.368 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -8.189 3.409 -6.883 1.00 0.00 N ATOM 0 H ASN A 94 -7.048 2.805 -3.018 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.087 5.176 -4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.492 3.442 -4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.801 5.119 -4.716 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.857 3.224 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.089 3.039 -6.577 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.417 5.576 -1.887 1.00 0.00 N ATOM 1456 CA GLN A 95 -9.013 6.554 -0.986 1.00 0.00 C ATOM 1457 C GLN A 95 -7.950 7.206 -0.107 1.00 0.00 C ATOM 1458 O GLN A 95 -8.075 8.369 0.276 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.077 5.890 -0.109 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.470 5.914 -0.718 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.268 4.667 -0.395 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -12.574 4.395 0.766 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -12.610 3.901 -1.425 1.00 0.00 N ATOM 0 H GLN A 95 -8.768 4.626 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.482 7.329 -1.593 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.789 4.855 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.104 6.392 0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.007 6.789 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.388 6.018 -1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.335 4.165 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.148 3.048 -1.270 1.00 0.00 H new ATOM 1472 N VAL A 96 -6.904 6.450 0.208 1.00 0.00 N ATOM 1473 CA VAL A 96 -5.820 6.955 1.040 1.00 0.00 C ATOM 1474 C VAL A 96 -4.615 7.350 0.194 1.00 0.00 C ATOM 1475 O VAL A 96 -3.779 6.513 -0.145 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.378 5.910 2.082 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -4.393 6.520 3.067 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.585 5.338 2.811 1.00 0.00 C ATOM 0 H VAL A 96 -6.785 5.485 -0.101 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.203 7.835 1.557 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.877 5.095 1.560 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.093 5.766 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.514 6.876 2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.865 7.356 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.253 4.602 3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.117 6.142 3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.251 4.860 2.093 1.00 0.00 H new