USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl -149:sc= -0.115 (180deg=-0.396) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 1.18 (180deg=0.517) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00948 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 59 SER OG : rot -87:sc= 0.00724 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 70 GLN : amide:sc= -5.99! C(o=-6!,f=-7!) USER MOD Single : A 77 MET CE :methyl 154:sc= -0.0343 (180deg=-0.564) USER MOD Single : A 78 THR OG1 : rot -160:sc= -2.52 USER MOD Single : A 80 THR OG1 : rot -90:sc= 0.0348 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 101 SER OG : rot 20:sc= 0.866 USER MOD Single : B 102 THR OG1 : rot 90:sc= -2.07 USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 5 -8.364 3.173 -11.559 1.00 0.00 N ATOM 72 CA GLU A 5 -9.358 3.106 -10.493 1.00 0.00 C ATOM 73 C GLU A 5 -8.700 3.221 -9.123 1.00 0.00 C ATOM 74 O GLU A 5 -8.225 2.233 -8.561 1.00 0.00 O ATOM 75 CB GLU A 5 -10.149 1.800 -10.586 1.00 0.00 C ATOM 76 CG GLU A 5 -11.358 1.746 -9.663 1.00 0.00 C ATOM 77 CD GLU A 5 -11.792 0.328 -9.342 1.00 0.00 C ATOM 78 OE1 GLU A 5 -11.967 -0.471 -10.288 1.00 0.00 O ATOM 79 OE2 GLU A 5 -11.960 0.016 -8.145 1.00 0.00 O ATOM 0 HA GLU A 5 -10.041 3.946 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.482 1.661 -11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.486 0.967 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.124 2.268 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.188 2.278 -10.128 1.00 0.00 H new ATOM 86 N ILE A 6 -8.683 4.436 -8.595 1.00 0.00 N ATOM 87 CA ILE A 6 -8.092 4.702 -7.288 1.00 0.00 C ATOM 88 C ILE A 6 -9.172 4.771 -6.207 1.00 0.00 C ATOM 89 O ILE A 6 -10.146 5.515 -6.339 1.00 0.00 O ATOM 90 CB ILE A 6 -7.297 6.024 -7.300 1.00 0.00 C ATOM 91 CG1 ILE A 6 -6.269 6.029 -8.438 1.00 0.00 C ATOM 92 CG2 ILE A 6 -6.614 6.251 -5.959 1.00 0.00 C ATOM 93 CD1 ILE A 6 -5.290 4.875 -8.388 1.00 0.00 C ATOM 0 H ILE A 6 -9.074 5.259 -9.053 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.412 3.880 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.998 6.841 -7.470 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.797 6.003 -9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.713 6.966 -8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.058 7.188 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.366 6.299 -5.171 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.928 5.429 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.596 4.950 -9.226 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.733 4.910 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.835 3.933 -8.451 1.00 0.00 H new ATOM 105 N ILE A 7 -8.991 3.992 -5.139 1.00 0.00 N ATOM 106 CA ILE A 7 -9.950 3.963 -4.034 1.00 0.00 C ATOM 107 C ILE A 7 -9.244 3.784 -2.691 1.00 0.00 C ATOM 108 O ILE A 7 -8.193 3.146 -2.612 1.00 0.00 O ATOM 109 CB ILE A 7 -10.993 2.833 -4.203 1.00 0.00 C ATOM 110 CG1 ILE A 7 -10.302 1.470 -4.314 1.00 0.00 C ATOM 111 CG2 ILE A 7 -11.873 3.090 -5.420 1.00 0.00 C ATOM 112 CD1 ILE A 7 -10.950 0.395 -3.468 1.00 0.00 C ATOM 0 H ILE A 7 -8.189 3.373 -5.016 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.464 4.924 -4.051 1.00 0.00 H new ATOM 0 HB ILE A 7 -11.629 2.822 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.307 1.153 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.258 1.575 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.599 2.284 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.397 4.037 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.253 3.133 -6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.410 -0.543 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.922 0.691 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.986 0.262 -3.780 1.00 0.00 H new ATOM 124 N THR A 8 -9.830 4.351 -1.639 1.00 0.00 N ATOM 125 CA THR A 8 -9.259 4.258 -0.298 1.00 0.00 C ATOM 126 C THR A 8 -10.177 3.469 0.634 1.00 0.00 C ATOM 127 O THR A 8 -11.331 3.846 0.852 1.00 0.00 O ATOM 128 CB THR A 8 -9.007 5.657 0.277 1.00 0.00 C ATOM 129 OG1 THR A 8 -8.763 6.594 -0.758 1.00 0.00 O ATOM 130 CG2 THR A 8 -7.830 5.712 1.226 1.00 0.00 C ATOM 0 H THR A 8 -10.701 4.880 -1.690 1.00 0.00 H new ATOM 0 HA THR A 8 -8.308 3.730 -0.375 1.00 0.00 H new ATOM 0 HB THR A 8 -9.914 5.905 0.829 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.607 7.479 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.708 6.730 1.596 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.008 5.040 2.066 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.925 5.406 0.701 1.00 0.00 H new ATOM 138 N VAL A 9 -9.653 2.374 1.184 1.00 0.00 N ATOM 139 CA VAL A 9 -10.418 1.528 2.099 1.00 0.00 C ATOM 140 C VAL A 9 -10.151 1.908 3.554 1.00 0.00 C ATOM 141 O VAL A 9 -9.086 2.436 3.881 1.00 0.00 O ATOM 142 CB VAL A 9 -10.092 0.032 1.902 1.00 0.00 C ATOM 143 CG1 VAL A 9 -10.641 -0.462 0.571 1.00 0.00 C ATOM 144 CG2 VAL A 9 -8.592 -0.215 1.996 1.00 0.00 C ATOM 0 H VAL A 9 -8.701 2.052 1.011 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.471 1.692 1.868 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.574 -0.531 2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.402 -1.518 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.723 -0.330 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.192 0.108 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.388 -1.276 1.854 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.080 0.359 1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.233 0.095 2.977 1.00 0.00 H new ATOM 154 N THR A 10 -11.125 1.639 4.421 1.00 0.00 N ATOM 155 CA THR A 10 -10.998 1.954 5.843 1.00 0.00 C ATOM 156 C THR A 10 -11.213 0.704 6.698 1.00 0.00 C ATOM 157 O THR A 10 -12.339 0.221 6.834 1.00 0.00 O ATOM 158 CB THR A 10 -12.006 3.042 6.238 1.00 0.00 C ATOM 159 OG1 THR A 10 -12.347 3.853 5.124 1.00 0.00 O ATOM 160 CG2 THR A 10 -11.499 3.958 7.331 1.00 0.00 C ATOM 0 H THR A 10 -12.011 1.204 4.164 1.00 0.00 H new ATOM 0 HA THR A 10 -9.988 2.324 6.022 1.00 0.00 H new ATOM 0 HB THR A 10 -12.876 2.500 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.992 4.537 5.402 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.259 4.704 7.563 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.281 3.373 8.224 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.591 4.458 6.994 1.00 0.00 H new ATOM 168 N LEU A 11 -10.126 0.183 7.268 1.00 0.00 N ATOM 169 CA LEU A 11 -10.193 -1.014 8.107 1.00 0.00 C ATOM 170 C LEU A 11 -9.305 -0.871 9.344 1.00 0.00 C ATOM 171 O LEU A 11 -8.499 0.056 9.436 1.00 0.00 O ATOM 172 CB LEU A 11 -9.769 -2.247 7.303 1.00 0.00 C ATOM 173 CG LEU A 11 -10.784 -2.720 6.260 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.073 -3.295 5.045 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.731 -3.747 6.866 1.00 0.00 C ATOM 0 H LEU A 11 -9.188 0.571 7.164 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.225 -1.136 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.828 -2.027 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.575 -3.065 7.997 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.372 -1.861 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.811 -3.626 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.439 -2.529 4.599 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.459 -4.142 5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.446 -4.073 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.159 -4.606 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.266 -3.299 7.703 1.00 0.00 H new ATOM 187 N LYS A 12 -9.458 -1.799 10.290 1.00 0.00 N ATOM 188 CA LYS A 12 -8.670 -1.784 11.522 1.00 0.00 C ATOM 189 C LYS A 12 -7.582 -2.858 11.487 1.00 0.00 C ATOM 190 O LYS A 12 -7.505 -3.646 10.542 1.00 0.00 O ATOM 191 CB LYS A 12 -9.576 -2.000 12.738 1.00 0.00 C ATOM 192 CG LYS A 12 -10.467 -0.810 13.058 1.00 0.00 C ATOM 193 CD LYS A 12 -11.846 -1.252 13.523 1.00 0.00 C ATOM 194 CE LYS A 12 -12.744 -1.608 12.348 1.00 0.00 C ATOM 195 NZ LYS A 12 -14.187 -1.414 12.667 1.00 0.00 N ATOM 0 H LYS A 12 -10.121 -2.571 10.226 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.191 -0.808 11.604 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.203 -2.874 12.562 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.956 -2.222 13.607 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.999 -0.202 13.832 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.565 -0.180 12.174 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.749 -2.114 14.183 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.307 -0.455 14.106 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.477 -0.993 11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.573 -2.646 12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -14.763 -1.668 11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.449 -2.020 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.357 -0.418 12.914 1.00 0.00 H new ATOM 209 N LYS A 13 -6.742 -2.883 12.521 1.00 0.00 N ATOM 210 CA LYS A 13 -5.657 -3.859 12.607 1.00 0.00 C ATOM 211 C LYS A 13 -6.133 -5.158 13.259 1.00 0.00 C ATOM 212 O LYS A 13 -6.825 -5.136 14.278 1.00 0.00 O ATOM 213 CB LYS A 13 -4.481 -3.283 13.403 1.00 0.00 C ATOM 214 CG LYS A 13 -3.726 -2.182 12.673 1.00 0.00 C ATOM 215 CD LYS A 13 -2.741 -1.475 13.595 1.00 0.00 C ATOM 216 CE LYS A 13 -1.365 -1.349 12.958 1.00 0.00 C ATOM 217 NZ LYS A 13 -0.270 -1.568 13.945 1.00 0.00 N ATOM 0 H LYS A 13 -6.792 -2.239 13.310 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.330 -4.081 11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.853 -2.890 14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.787 -4.089 13.643 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.190 -2.608 11.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.435 -1.458 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.120 -0.483 13.841 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.659 -2.026 14.532 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.273 -2.073 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.260 -0.359 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.650 -1.473 13.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.341 -0.862 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.354 -2.522 14.350 1.00 0.00 H new ATOM 231 N GLN A 14 -5.748 -6.287 12.664 1.00 0.00 N ATOM 232 CA GLN A 14 -6.123 -7.602 13.182 1.00 0.00 C ATOM 233 C GLN A 14 -4.884 -8.485 13.337 1.00 0.00 C ATOM 234 O GLN A 14 -4.544 -9.258 12.439 1.00 0.00 O ATOM 235 CB GLN A 14 -7.137 -8.269 12.246 1.00 0.00 C ATOM 236 CG GLN A 14 -8.109 -9.200 12.957 1.00 0.00 C ATOM 237 CD GLN A 14 -9.505 -8.616 13.066 1.00 0.00 C ATOM 238 OE1 GLN A 14 -10.010 -8.388 14.164 1.00 0.00 O ATOM 239 NE2 GLN A 14 -10.139 -8.370 11.923 1.00 0.00 N ATOM 0 H GLN A 14 -5.175 -6.317 11.821 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.583 -7.473 14.162 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.703 -7.495 11.728 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.598 -8.834 11.485 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.157 -10.147 12.420 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -7.732 -9.418 13.956 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.684 -8.574 11.033 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -11.080 -7.977 11.936 1.00 0.00 H new ATOM 248 N ASN A 15 -4.204 -8.346 14.478 1.00 0.00 N ATOM 249 CA ASN A 15 -2.986 -9.112 14.757 1.00 0.00 C ATOM 250 C ASN A 15 -1.941 -8.888 13.659 1.00 0.00 C ATOM 251 O ASN A 15 -1.211 -9.808 13.280 1.00 0.00 O ATOM 252 CB ASN A 15 -3.305 -10.607 14.891 1.00 0.00 C ATOM 253 CG ASN A 15 -3.658 -11.000 16.314 1.00 0.00 C ATOM 254 OD1 ASN A 15 -4.803 -10.860 16.743 1.00 0.00 O ATOM 255 ND2 ASN A 15 -2.673 -11.496 17.058 1.00 0.00 N ATOM 0 H ASN A 15 -4.477 -7.708 15.226 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.574 -8.760 15.703 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.135 -10.859 14.231 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.446 -11.190 14.559 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.854 -11.776 18.022 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.737 -11.596 16.664 1.00 0.00 H new ATOM 262 N GLY A 16 -1.881 -7.655 13.149 1.00 0.00 N ATOM 263 CA GLY A 16 -0.937 -7.323 12.097 1.00 0.00 C ATOM 264 C GLY A 16 -1.583 -7.336 10.726 1.00 0.00 C ATOM 265 O GLY A 16 -2.462 -8.158 10.457 1.00 0.00 O ATOM 0 H GLY A 16 -2.473 -6.881 13.449 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.514 -6.337 12.288 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -0.111 -8.034 12.115 1.00 0.00 H new ATOM 269 N MET A 17 -1.151 -6.425 9.856 1.00 0.00 N ATOM 270 CA MET A 17 -1.697 -6.338 8.503 1.00 0.00 C ATOM 271 C MET A 17 -1.367 -7.598 7.706 1.00 0.00 C ATOM 272 O MET A 17 -2.241 -8.176 7.058 1.00 0.00 O ATOM 273 CB MET A 17 -1.161 -5.095 7.783 1.00 0.00 C ATOM 274 CG MET A 17 -2.048 -3.870 7.951 1.00 0.00 C ATOM 275 SD MET A 17 -1.938 -2.735 6.555 1.00 0.00 S ATOM 276 CE MET A 17 -0.703 -1.580 7.147 1.00 0.00 C ATOM 0 H MET A 17 -0.426 -5.738 10.063 1.00 0.00 H new ATOM 0 HA MET A 17 -2.781 -6.253 8.579 1.00 0.00 H new ATOM 0 HB2 MET A 17 -0.164 -4.867 8.160 1.00 0.00 H new ATOM 0 HB3 MET A 17 -1.057 -5.316 6.721 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.083 -4.190 8.073 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.767 -3.345 8.864 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.898 -0.593 6.728 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.746 -1.528 8.235 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.287 -1.916 6.839 1.00 0.00 H new ATOM 286 N GLY A 18 -0.104 -8.025 7.770 1.00 0.00 N ATOM 287 CA GLY A 18 0.318 -9.219 7.063 1.00 0.00 C ATOM 288 C GLY A 18 0.174 -9.097 5.558 1.00 0.00 C ATOM 289 O GLY A 18 -0.822 -9.538 4.987 1.00 0.00 O ATOM 0 H GLY A 18 0.633 -7.561 8.301 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.359 -9.431 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.270 -10.068 7.411 1.00 0.00 H new ATOM 293 N LEU A 19 1.173 -8.496 4.915 1.00 0.00 N ATOM 294 CA LEU A 19 1.163 -8.320 3.463 1.00 0.00 C ATOM 295 C LEU A 19 2.578 -8.059 2.939 1.00 0.00 C ATOM 296 O LEU A 19 3.537 -8.037 3.708 1.00 0.00 O ATOM 297 CB LEU A 19 0.222 -7.179 3.064 1.00 0.00 C ATOM 298 CG LEU A 19 0.550 -5.826 3.691 1.00 0.00 C ATOM 299 CD1 LEU A 19 1.339 -4.964 2.716 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.721 -5.117 4.133 1.00 0.00 C ATOM 0 H LEU A 19 2.002 -8.122 5.377 1.00 0.00 H new ATOM 0 HA LEU A 19 0.796 -9.241 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.241 -7.074 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.796 -7.454 3.340 1.00 0.00 H new ATOM 0 HG LEU A 19 1.167 -5.996 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.564 -4.003 3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.270 -5.468 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.749 -4.802 1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.465 -4.155 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.368 -4.958 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.242 -5.729 4.869 1.00 0.00 H new ATOM 312 N SER A 20 2.699 -7.869 1.626 1.00 0.00 N ATOM 313 CA SER A 20 3.998 -7.618 1.000 1.00 0.00 C ATOM 314 C SER A 20 3.937 -6.417 0.056 1.00 0.00 C ATOM 315 O SER A 20 2.938 -6.213 -0.636 1.00 0.00 O ATOM 316 CB SER A 20 4.465 -8.860 0.235 1.00 0.00 C ATOM 317 OG SER A 20 4.549 -9.987 1.090 1.00 0.00 O ATOM 0 H SER A 20 1.914 -7.884 0.975 1.00 0.00 H new ATOM 0 HA SER A 20 4.713 -7.392 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.773 -9.070 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.439 -8.668 -0.215 1.00 0.00 H new ATOM 0 HG SER A 20 4.848 -10.766 0.576 1.00 0.00 H new ATOM 323 N ILE A 21 5.014 -5.625 0.030 1.00 0.00 N ATOM 324 CA ILE A 21 5.078 -4.443 -0.834 1.00 0.00 C ATOM 325 C ILE A 21 6.439 -4.305 -1.513 1.00 0.00 C ATOM 326 O ILE A 21 7.480 -4.542 -0.896 1.00 0.00 O ATOM 327 CB ILE A 21 4.783 -3.144 -0.054 1.00 0.00 C ATOM 328 CG1 ILE A 21 5.729 -3.003 1.144 1.00 0.00 C ATOM 329 CG2 ILE A 21 3.332 -3.119 0.402 1.00 0.00 C ATOM 330 CD1 ILE A 21 6.999 -2.241 0.826 1.00 0.00 C ATOM 0 H ILE A 21 5.849 -5.780 0.595 1.00 0.00 H new ATOM 0 HA ILE A 21 4.311 -4.590 -1.594 1.00 0.00 H new ATOM 0 HB ILE A 21 4.951 -2.297 -0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.204 -2.496 1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 21 5.992 -3.996 1.508 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.139 -2.197 0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.676 -3.168 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.140 -3.974 1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.620 -2.180 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.546 -2.759 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.746 -1.235 0.491 1.00 0.00 H new ATOM 342 N VAL A 22 6.419 -3.911 -2.786 1.00 0.00 N ATOM 343 CA VAL A 22 7.645 -3.730 -3.560 1.00 0.00 C ATOM 344 C VAL A 22 7.663 -2.368 -4.253 1.00 0.00 C ATOM 345 O VAL A 22 6.684 -1.970 -4.887 1.00 0.00 O ATOM 346 CB VAL A 22 7.805 -4.834 -4.628 1.00 0.00 C ATOM 347 CG1 VAL A 22 9.155 -4.729 -5.327 1.00 0.00 C ATOM 348 CG2 VAL A 22 7.626 -6.213 -4.010 1.00 0.00 C ATOM 0 H VAL A 22 5.563 -3.711 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 22 8.474 -3.790 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 22 7.026 -4.690 -5.377 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.240 -5.518 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.238 -3.758 -5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.954 -4.836 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.743 -6.975 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.376 -6.364 -3.234 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.631 -6.289 -3.572 1.00 0.00 H new ATOM 358 N ALA A 23 8.787 -1.666 -4.133 1.00 0.00 N ATOM 359 CA ALA A 23 8.944 -0.352 -4.751 1.00 0.00 C ATOM 360 C ALA A 23 9.673 -0.464 -6.088 1.00 0.00 C ATOM 361 O ALA A 23 10.752 -1.055 -6.168 1.00 0.00 O ATOM 362 CB ALA A 23 9.692 0.589 -3.815 1.00 0.00 C ATOM 0 H ALA A 23 9.604 -1.986 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 23 7.951 0.058 -4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.801 1.564 -4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.133 0.698 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.678 0.179 -3.599 1.00 0.00 H new ATOM 368 N ALA A 24 9.076 0.104 -7.137 1.00 0.00 N ATOM 369 CA ALA A 24 9.666 0.065 -8.472 1.00 0.00 C ATOM 370 C ALA A 24 9.657 1.447 -9.125 1.00 0.00 C ATOM 371 O ALA A 24 8.745 2.245 -8.898 1.00 0.00 O ATOM 372 CB ALA A 24 8.926 -0.938 -9.346 1.00 0.00 C ATOM 0 H ALA A 24 8.184 0.596 -7.086 1.00 0.00 H new ATOM 0 HA ALA A 24 10.705 -0.250 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.376 -0.957 -10.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.993 -1.930 -8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.879 -0.646 -9.428 1.00 0.00 H new ATOM 378 N LYS A 25 10.678 1.718 -9.939 1.00 0.00 N ATOM 379 CA LYS A 25 10.795 3.001 -10.633 1.00 0.00 C ATOM 380 C LYS A 25 10.802 2.806 -12.150 1.00 0.00 C ATOM 381 O LYS A 25 10.714 1.678 -12.642 1.00 0.00 O ATOM 382 CB LYS A 25 12.068 3.730 -10.190 1.00 0.00 C ATOM 383 CG LYS A 25 11.842 5.193 -9.842 1.00 0.00 C ATOM 384 CD LYS A 25 13.154 5.913 -9.571 1.00 0.00 C ATOM 385 CE LYS A 25 12.944 7.146 -8.705 1.00 0.00 C ATOM 386 NZ LYS A 25 13.907 8.233 -9.040 1.00 0.00 N ATOM 0 H LYS A 25 11.437 1.065 -10.134 1.00 0.00 H new ATOM 0 HA LYS A 25 9.928 3.608 -10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.486 3.219 -9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.810 3.665 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.318 5.686 -10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.199 5.264 -8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.848 5.233 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.612 6.204 -10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.925 7.511 -8.835 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.054 6.875 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.730 9.055 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.879 7.894 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.785 8.510 -10.035 1.00 0.00 H new ATOM 400 N GLY A 26 10.910 3.912 -12.887 1.00 0.00 N ATOM 401 CA GLY A 26 10.930 3.851 -14.335 1.00 0.00 C ATOM 402 C GLY A 26 11.465 5.128 -14.940 1.00 0.00 C ATOM 403 O GLY A 26 12.417 5.716 -14.420 1.00 0.00 O ATOM 0 H GLY A 26 10.984 4.853 -12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.546 3.011 -14.655 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.922 3.667 -14.706 1.00 0.00 H new ATOM 407 N ALA A 27 10.850 5.567 -16.029 1.00 0.00 N ATOM 408 CA ALA A 27 11.269 6.794 -16.691 1.00 0.00 C ATOM 409 C ALA A 27 10.234 7.897 -16.490 1.00 0.00 C ATOM 410 O ALA A 27 9.030 7.630 -16.459 1.00 0.00 O ATOM 411 CB ALA A 27 11.513 6.552 -18.173 1.00 0.00 C ATOM 0 H ALA A 27 10.062 5.094 -16.471 1.00 0.00 H new ATOM 0 HA ALA A 27 12.207 7.119 -16.240 1.00 0.00 H new ATOM 0 HB1 ALA A 27 11.825 7.483 -18.647 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.295 5.802 -18.295 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.594 6.197 -18.640 1.00 0.00 H new ATOM 417 N GLY A 28 10.710 9.133 -16.338 1.00 0.00 N ATOM 418 CA GLY A 28 9.812 10.255 -16.122 1.00 0.00 C ATOM 419 C GLY A 28 8.991 10.077 -14.859 1.00 0.00 C ATOM 420 O GLY A 28 7.778 10.297 -14.858 1.00 0.00 O ATOM 0 H GLY A 28 11.700 9.376 -16.361 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.390 11.177 -16.054 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.146 10.359 -16.978 1.00 0.00 H new ATOM 424 N GLN A 29 9.662 9.656 -13.786 1.00 0.00 N ATOM 425 CA GLN A 29 9.008 9.421 -12.506 1.00 0.00 C ATOM 426 C GLN A 29 9.843 9.979 -11.357 1.00 0.00 C ATOM 427 O GLN A 29 10.889 9.424 -11.013 1.00 0.00 O ATOM 428 CB GLN A 29 8.790 7.921 -12.298 1.00 0.00 C ATOM 429 CG GLN A 29 7.663 7.596 -11.333 1.00 0.00 C ATOM 430 CD GLN A 29 6.535 6.833 -11.996 1.00 0.00 C ATOM 431 OE1 GLN A 29 5.362 7.171 -11.834 1.00 0.00 O ATOM 432 NE2 GLN A 29 6.883 5.796 -12.751 1.00 0.00 N ATOM 0 H GLN A 29 10.665 9.471 -13.783 1.00 0.00 H new ATOM 0 HA GLN A 29 8.045 9.932 -12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.577 7.457 -13.261 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.714 7.477 -11.927 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.057 7.008 -10.504 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.272 8.522 -10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.867 5.551 -12.858 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.166 5.246 -13.223 1.00 0.00 H new ATOM 441 N ASP A 30 9.373 11.072 -10.762 1.00 0.00 N ATOM 442 CA ASP A 30 10.078 11.695 -9.642 1.00 0.00 C ATOM 443 C ASP A 30 9.568 11.166 -8.298 1.00 0.00 C ATOM 444 O ASP A 30 9.764 11.796 -7.257 1.00 0.00 O ATOM 445 CB ASP A 30 9.929 13.219 -9.706 1.00 0.00 C ATOM 446 CG ASP A 30 8.481 13.666 -9.629 1.00 0.00 C ATOM 447 OD1 ASP A 30 7.811 13.694 -10.684 1.00 0.00 O ATOM 448 OD2 ASP A 30 8.015 13.987 -8.513 1.00 0.00 O ATOM 0 H ASP A 30 8.511 11.544 -11.034 1.00 0.00 H new ATOM 0 HA ASP A 30 11.134 11.437 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.489 13.670 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.370 13.585 -10.633 1.00 0.00 H new ATOM 453 N LYS A 31 8.924 9.999 -8.327 1.00 0.00 N ATOM 454 CA LYS A 31 8.396 9.374 -7.119 1.00 0.00 C ATOM 455 C LYS A 31 8.618 7.861 -7.159 1.00 0.00 C ATOM 456 O LYS A 31 9.387 7.361 -7.986 1.00 0.00 O ATOM 457 CB LYS A 31 6.899 9.682 -6.963 1.00 0.00 C ATOM 458 CG LYS A 31 6.527 11.134 -7.241 1.00 0.00 C ATOM 459 CD LYS A 31 6.888 12.047 -6.077 1.00 0.00 C ATOM 460 CE LYS A 31 5.827 13.117 -5.852 1.00 0.00 C ATOM 461 NZ LYS A 31 5.584 13.933 -7.076 1.00 0.00 N ATOM 0 H LYS A 31 8.756 9.466 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 31 8.929 9.785 -6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.335 9.039 -7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.591 9.428 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.039 11.474 -8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.457 11.203 -7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.004 11.453 -5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.849 12.523 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.896 12.643 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.139 13.771 -5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.197 14.859 -6.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.480 14.069 -7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.906 13.441 -7.692 1.00 0.00 H new ATOM 475 N LEU A 32 7.942 7.133 -6.270 1.00 0.00 N ATOM 476 CA LEU A 32 8.067 5.680 -6.214 1.00 0.00 C ATOM 477 C LEU A 32 6.699 5.024 -6.045 1.00 0.00 C ATOM 478 O LEU A 32 5.779 5.623 -5.482 1.00 0.00 O ATOM 479 CB LEU A 32 8.996 5.267 -5.068 1.00 0.00 C ATOM 480 CG LEU A 32 9.980 4.141 -5.398 1.00 0.00 C ATOM 481 CD1 LEU A 32 10.809 4.490 -6.628 1.00 0.00 C ATOM 482 CD2 LEU A 32 10.883 3.863 -4.205 1.00 0.00 C ATOM 0 H LEU A 32 7.303 7.527 -5.580 1.00 0.00 H new ATOM 0 HA LEU A 32 8.498 5.340 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.563 6.141 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.385 4.957 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 32 9.409 3.239 -5.620 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.501 3.676 -6.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.148 4.640 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.372 5.404 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.577 3.060 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.444 4.764 -3.955 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.275 3.565 -3.350 1.00 0.00 H new ATOM 494 N GLY A 33 6.571 3.793 -6.538 1.00 0.00 N ATOM 495 CA GLY A 33 5.312 3.078 -6.435 1.00 0.00 C ATOM 496 C GLY A 33 5.392 1.883 -5.505 1.00 0.00 C ATOM 497 O GLY A 33 6.056 0.894 -5.818 1.00 0.00 O ATOM 0 H GLY A 33 7.318 3.280 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.540 3.760 -6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.008 2.742 -7.426 1.00 0.00 H new ATOM 501 N ILE A 34 4.709 1.970 -4.364 1.00 0.00 N ATOM 502 CA ILE A 34 4.701 0.882 -3.389 1.00 0.00 C ATOM 503 C ILE A 34 3.693 -0.192 -3.794 1.00 0.00 C ATOM 504 O ILE A 34 2.624 -0.323 -3.195 1.00 0.00 O ATOM 505 CB ILE A 34 4.369 1.393 -1.967 1.00 0.00 C ATOM 506 CG1 ILE A 34 5.196 2.639 -1.635 1.00 0.00 C ATOM 507 CG2 ILE A 34 4.617 0.301 -0.934 1.00 0.00 C ATOM 508 CD1 ILE A 34 6.690 2.439 -1.785 1.00 0.00 C ATOM 0 H ILE A 34 4.155 2.782 -4.093 1.00 0.00 H new ATOM 0 HA ILE A 34 5.703 0.453 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 34 3.313 1.662 -1.939 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.881 3.456 -2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.981 2.944 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.378 0.679 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.986 -0.560 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.664 0.001 -0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.208 3.364 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.020 1.644 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.919 2.164 -2.815 1.00 0.00 H new ATOM 520 N TYR A 35 4.042 -0.953 -4.828 1.00 0.00 N ATOM 521 CA TYR A 35 3.177 -2.014 -5.338 1.00 0.00 C ATOM 522 C TYR A 35 3.043 -3.155 -4.330 1.00 0.00 C ATOM 523 O TYR A 35 3.917 -3.357 -3.487 1.00 0.00 O ATOM 524 CB TYR A 35 3.727 -2.544 -6.664 1.00 0.00 C ATOM 525 CG TYR A 35 3.880 -1.474 -7.725 1.00 0.00 C ATOM 526 CD1 TYR A 35 2.766 -0.881 -8.305 1.00 0.00 C ATOM 527 CD2 TYR A 35 5.138 -1.055 -8.143 1.00 0.00 C ATOM 528 CE1 TYR A 35 2.899 0.096 -9.272 1.00 0.00 C ATOM 529 CE2 TYR A 35 5.279 -0.078 -9.111 1.00 0.00 C ATOM 530 CZ TYR A 35 4.156 0.495 -9.671 1.00 0.00 C ATOM 531 OH TYR A 35 4.293 1.467 -10.636 1.00 0.00 O ATOM 0 H TYR A 35 4.923 -0.854 -5.332 1.00 0.00 H new ATOM 0 HA TYR A 35 2.185 -1.593 -5.501 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.696 -3.009 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.063 -3.323 -7.038 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.779 -1.189 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 35 6.019 -1.500 -7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.022 0.545 -9.713 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.263 0.235 -9.427 1.00 0.00 H new ATOM 0 HH TYR A 35 5.245 1.632 -10.801 1.00 0.00 H new ATOM 541 N VAL A 36 1.941 -3.898 -4.426 1.00 0.00 N ATOM 542 CA VAL A 36 1.687 -5.019 -3.524 1.00 0.00 C ATOM 543 C VAL A 36 2.181 -6.335 -4.123 1.00 0.00 C ATOM 544 O VAL A 36 1.745 -6.741 -5.202 1.00 0.00 O ATOM 545 CB VAL A 36 0.184 -5.152 -3.190 1.00 0.00 C ATOM 546 CG1 VAL A 36 -0.041 -6.234 -2.142 1.00 0.00 C ATOM 547 CG2 VAL A 36 -0.386 -3.822 -2.717 1.00 0.00 C ATOM 0 H VAL A 36 1.210 -3.743 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 36 2.237 -4.811 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.340 -5.442 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.106 -6.311 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.321 -7.189 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.500 -5.977 -1.232 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.445 -3.941 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.144 -3.496 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.266 -3.075 -3.502 1.00 0.00 H new ATOM 557 N LYS A 37 3.085 -7.001 -3.408 1.00 0.00 N ATOM 558 CA LYS A 37 3.637 -8.278 -3.854 1.00 0.00 C ATOM 559 C LYS A 37 2.733 -9.440 -3.439 1.00 0.00 C ATOM 560 O LYS A 37 2.591 -10.415 -4.178 1.00 0.00 O ATOM 561 CB LYS A 37 5.043 -8.477 -3.278 1.00 0.00 C ATOM 562 CG LYS A 37 5.772 -9.692 -3.838 1.00 0.00 C ATOM 563 CD LYS A 37 6.818 -9.297 -4.870 1.00 0.00 C ATOM 564 CE LYS A 37 7.395 -10.515 -5.577 1.00 0.00 C ATOM 565 NZ LYS A 37 7.967 -10.170 -6.910 1.00 0.00 N ATOM 0 H LYS A 37 3.452 -6.676 -2.514 1.00 0.00 H new ATOM 0 HA LYS A 37 3.696 -8.260 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.637 -7.585 -3.478 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.971 -8.576 -2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.252 -10.235 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.051 -10.371 -4.293 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.371 -8.627 -5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.621 -8.744 -4.382 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.170 -10.962 -4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.614 -11.266 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.349 -11.028 -7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.222 -9.768 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.730 -9.473 -6.791 1.00 0.00 H new ATOM 579 N SER A 38 2.125 -9.330 -2.254 1.00 0.00 N ATOM 580 CA SER A 38 1.235 -10.372 -1.744 1.00 0.00 C ATOM 581 C SER A 38 0.488 -9.900 -0.494 1.00 0.00 C ATOM 582 O SER A 38 0.734 -8.804 0.012 1.00 0.00 O ATOM 583 CB SER A 38 2.030 -11.643 -1.429 1.00 0.00 C ATOM 584 OG SER A 38 1.174 -12.769 -1.347 1.00 0.00 O ATOM 0 H SER A 38 2.234 -8.529 -1.632 1.00 0.00 H new ATOM 0 HA SER A 38 0.500 -10.592 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.781 -11.808 -2.202 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.564 -11.518 -0.487 1.00 0.00 H new ATOM 0 HG SER A 38 1.704 -13.569 -1.147 1.00 0.00 H new ATOM 590 N VAL A 39 -0.426 -10.740 0.000 1.00 0.00 N ATOM 591 CA VAL A 39 -1.211 -10.420 1.191 1.00 0.00 C ATOM 592 C VAL A 39 -1.340 -11.645 2.096 1.00 0.00 C ATOM 593 O VAL A 39 -1.904 -12.663 1.695 1.00 0.00 O ATOM 594 CB VAL A 39 -2.623 -9.912 0.826 1.00 0.00 C ATOM 595 CG1 VAL A 39 -3.342 -9.387 2.060 1.00 0.00 C ATOM 596 CG2 VAL A 39 -2.549 -8.836 -0.249 1.00 0.00 C ATOM 0 H VAL A 39 -0.639 -11.649 -0.410 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.681 -9.626 1.718 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.193 -10.752 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.335 -9.034 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.435 -10.187 2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.772 -8.563 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.555 -8.493 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.957 -7.997 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.082 -9.247 -1.144 1.00 0.00 H new ATOM 606 N VAL A 40 -0.815 -11.538 3.317 1.00 0.00 N ATOM 607 CA VAL A 40 -0.872 -12.639 4.278 1.00 0.00 C ATOM 608 C VAL A 40 -2.305 -12.884 4.746 1.00 0.00 C ATOM 609 O VAL A 40 -2.976 -11.967 5.219 1.00 0.00 O ATOM 610 CB VAL A 40 0.020 -12.367 5.510 1.00 0.00 C ATOM 611 CG1 VAL A 40 0.018 -13.561 6.453 1.00 0.00 C ATOM 612 CG2 VAL A 40 1.441 -12.021 5.085 1.00 0.00 C ATOM 0 H VAL A 40 -0.346 -10.701 3.663 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.501 -13.525 3.763 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.394 -11.511 6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.653 -13.347 7.313 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.000 -13.755 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.399 -14.438 5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.050 -11.834 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.865 -12.852 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.426 -11.129 4.459 1.00 0.00 H new ATOM 622 N LYS A 41 -2.765 -14.128 4.611 1.00 0.00 N ATOM 623 CA LYS A 41 -4.121 -14.498 5.017 1.00 0.00 C ATOM 624 C LYS A 41 -4.317 -14.337 6.521 1.00 0.00 C ATOM 625 O LYS A 41 -3.362 -14.430 7.297 1.00 0.00 O ATOM 626 CB LYS A 41 -4.422 -15.945 4.617 1.00 0.00 C ATOM 627 CG LYS A 41 -5.764 -16.120 3.925 1.00 0.00 C ATOM 628 CD LYS A 41 -5.802 -15.383 2.595 1.00 0.00 C ATOM 629 CE LYS A 41 -6.276 -16.285 1.466 1.00 0.00 C ATOM 630 NZ LYS A 41 -7.761 -16.407 1.433 1.00 0.00 N ATOM 0 H LYS A 41 -2.218 -14.897 4.223 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.810 -13.826 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.633 -16.302 3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.398 -16.572 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.955 -17.180 3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.560 -15.749 4.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.465 -14.521 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.808 -15.000 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.924 -15.889 0.514 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.834 -17.274 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.041 -17.030 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.096 -16.809 2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.184 -15.467 1.296 1.00 0.00 H new ATOM 644 N GLY A 42 -5.563 -14.100 6.925 1.00 0.00 N ATOM 645 CA GLY A 42 -5.873 -13.933 8.333 1.00 0.00 C ATOM 646 C GLY A 42 -6.035 -12.478 8.730 1.00 0.00 C ATOM 647 O GLY A 42 -6.792 -12.165 9.650 1.00 0.00 O ATOM 0 H GLY A 42 -6.365 -14.021 6.299 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.791 -14.473 8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.080 -14.382 8.931 1.00 0.00 H new ATOM 651 N GLY A 43 -5.326 -11.587 8.038 1.00 0.00 N ATOM 652 CA GLY A 43 -5.417 -10.172 8.340 1.00 0.00 C ATOM 653 C GLY A 43 -6.720 -9.556 7.856 1.00 0.00 C ATOM 654 O GLY A 43 -7.340 -10.054 6.916 1.00 0.00 O ATOM 0 H GLY A 43 -4.692 -11.822 7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.328 -10.027 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.579 -9.651 7.878 1.00 0.00 H new ATOM 658 N ALA A 44 -7.135 -8.466 8.499 1.00 0.00 N ATOM 659 CA ALA A 44 -8.373 -7.773 8.133 1.00 0.00 C ATOM 660 C ALA A 44 -8.389 -7.375 6.655 1.00 0.00 C ATOM 661 O ALA A 44 -9.457 -7.291 6.044 1.00 0.00 O ATOM 662 CB ALA A 44 -8.560 -6.537 9.000 1.00 0.00 C ATOM 0 H ALA A 44 -6.632 -8.041 9.278 1.00 0.00 H new ATOM 0 HA ALA A 44 -9.197 -8.467 8.302 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -9.483 -6.031 8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.613 -6.832 10.048 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.717 -5.861 8.856 1.00 0.00 H new ATOM 668 N ALA A 45 -7.208 -7.123 6.086 1.00 0.00 N ATOM 669 CA ALA A 45 -7.098 -6.726 4.683 1.00 0.00 C ATOM 670 C ALA A 45 -7.710 -7.774 3.749 1.00 0.00 C ATOM 671 O ALA A 45 -8.535 -7.445 2.893 1.00 0.00 O ATOM 672 CB ALA A 45 -5.641 -6.472 4.315 1.00 0.00 C ATOM 0 H ALA A 45 -6.316 -7.187 6.576 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.662 -5.802 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.576 -6.177 3.268 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.241 -5.675 4.942 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.062 -7.382 4.472 1.00 0.00 H new ATOM 678 N ASP A 46 -7.302 -9.034 3.917 1.00 0.00 N ATOM 679 CA ASP A 46 -7.813 -10.125 3.085 1.00 0.00 C ATOM 680 C ASP A 46 -9.216 -10.547 3.522 1.00 0.00 C ATOM 681 O ASP A 46 -10.043 -10.920 2.690 1.00 0.00 O ATOM 682 CB ASP A 46 -6.864 -11.332 3.121 1.00 0.00 C ATOM 683 CG ASP A 46 -6.619 -11.854 4.525 1.00 0.00 C ATOM 684 OD1 ASP A 46 -5.715 -11.327 5.203 1.00 0.00 O ATOM 685 OD2 ASP A 46 -7.324 -12.799 4.940 1.00 0.00 O ATOM 0 H ASP A 46 -6.621 -9.323 4.619 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.870 -9.755 2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.280 -12.133 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.911 -11.051 2.673 1.00 0.00 H new ATOM 690 N VAL A 47 -9.483 -10.479 4.828 1.00 0.00 N ATOM 691 CA VAL A 47 -10.796 -10.850 5.357 1.00 0.00 C ATOM 692 C VAL A 47 -11.881 -9.927 4.805 1.00 0.00 C ATOM 693 O VAL A 47 -13.012 -10.355 4.572 1.00 0.00 O ATOM 694 CB VAL A 47 -10.832 -10.804 6.901 1.00 0.00 C ATOM 695 CG1 VAL A 47 -12.189 -11.262 7.420 1.00 0.00 C ATOM 696 CG2 VAL A 47 -9.716 -11.656 7.492 1.00 0.00 C ATOM 0 H VAL A 47 -8.813 -10.173 5.533 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.985 -11.875 5.038 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.676 -9.772 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.194 -11.222 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.968 -10.607 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -12.377 -12.285 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.760 -11.609 8.580 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.837 -12.690 7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.751 -11.279 7.151 1.00 0.00 H new ATOM 706 N ASP A 48 -11.526 -8.660 4.594 1.00 0.00 N ATOM 707 CA ASP A 48 -12.466 -7.677 4.064 1.00 0.00 C ATOM 708 C ASP A 48 -12.761 -7.940 2.587 1.00 0.00 C ATOM 709 O ASP A 48 -13.913 -7.871 2.155 1.00 0.00 O ATOM 710 CB ASP A 48 -11.908 -6.263 4.239 1.00 0.00 C ATOM 711 CG ASP A 48 -12.988 -5.201 4.189 1.00 0.00 C ATOM 712 OD1 ASP A 48 -13.953 -5.293 4.979 1.00 0.00 O ATOM 713 OD2 ASP A 48 -12.869 -4.274 3.362 1.00 0.00 O ATOM 0 H ASP A 48 -10.594 -8.292 4.782 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.398 -7.767 4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.384 -6.198 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.174 -6.067 3.458 1.00 0.00 H new ATOM 718 N GLY A 49 -11.714 -8.241 1.819 1.00 0.00 N ATOM 719 CA GLY A 49 -11.882 -8.510 0.400 1.00 0.00 C ATOM 720 C GLY A 49 -11.748 -7.262 -0.456 1.00 0.00 C ATOM 721 O GLY A 49 -12.503 -7.078 -1.413 1.00 0.00 O ATOM 0 H GLY A 49 -10.753 -8.303 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.140 -9.243 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.862 -8.956 0.233 1.00 0.00 H new ATOM 725 N ARG A 50 -10.783 -6.405 -0.118 1.00 0.00 N ATOM 726 CA ARG A 50 -10.551 -5.171 -0.867 1.00 0.00 C ATOM 727 C ARG A 50 -9.069 -5.011 -1.215 1.00 0.00 C ATOM 728 O ARG A 50 -8.559 -3.892 -1.294 1.00 0.00 O ATOM 729 CB ARG A 50 -11.038 -3.959 -0.062 1.00 0.00 C ATOM 730 CG ARG A 50 -12.537 -3.958 0.204 1.00 0.00 C ATOM 731 CD ARG A 50 -13.299 -3.146 -0.834 1.00 0.00 C ATOM 732 NE ARG A 50 -13.747 -3.974 -1.954 1.00 0.00 N ATOM 733 CZ ARG A 50 -13.063 -4.137 -3.090 1.00 0.00 C ATOM 734 NH1 ARG A 50 -11.898 -3.520 -3.276 1.00 0.00 N ATOM 735 NH2 ARG A 50 -13.545 -4.926 -4.044 1.00 0.00 N ATOM 0 H ARG A 50 -10.150 -6.544 0.670 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.116 -5.229 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -10.510 -3.932 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -10.773 -3.048 -0.599 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.906 -4.984 0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.729 -3.550 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.162 -2.674 -0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.661 -2.345 -1.207 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.640 -4.458 -1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.519 -2.915 -2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.384 -3.652 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.435 -5.405 -3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -13.025 -5.052 -4.912 1.00 0.00 H new ATOM 749 N LEU A 51 -8.383 -6.139 -1.424 1.00 0.00 N ATOM 750 CA LEU A 51 -6.961 -6.125 -1.763 1.00 0.00 C ATOM 751 C LEU A 51 -6.583 -7.332 -2.620 1.00 0.00 C ATOM 752 O LEU A 51 -7.295 -8.339 -2.641 1.00 0.00 O ATOM 753 CB LEU A 51 -6.111 -6.121 -0.489 1.00 0.00 C ATOM 754 CG LEU A 51 -5.642 -4.742 -0.024 1.00 0.00 C ATOM 755 CD1 LEU A 51 -4.970 -4.843 1.337 1.00 0.00 C ATOM 756 CD2 LEU A 51 -4.694 -4.124 -1.045 1.00 0.00 C ATOM 0 H LEU A 51 -8.791 -7.072 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.767 -5.218 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.687 -6.581 0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.235 -6.749 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.514 -4.094 0.067 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.641 -3.854 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.678 -5.241 2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.108 -5.507 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.372 -3.143 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.824 -4.768 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.207 -4.018 -2.001 1.00 0.00 H new ATOM 768 N ALA A 52 -5.450 -7.225 -3.318 1.00 0.00 N ATOM 769 CA ALA A 52 -4.962 -8.305 -4.173 1.00 0.00 C ATOM 770 C ALA A 52 -3.524 -8.048 -4.616 1.00 0.00 C ATOM 771 O ALA A 52 -3.141 -6.905 -4.872 1.00 0.00 O ATOM 772 CB ALA A 52 -5.863 -8.475 -5.388 1.00 0.00 C ATOM 0 H ALA A 52 -4.853 -6.398 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.981 -9.226 -3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.483 -9.284 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.875 -8.714 -5.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.877 -7.549 -5.963 1.00 0.00 H new ATOM 778 N ALA A 53 -2.734 -9.117 -4.707 1.00 0.00 N ATOM 779 CA ALA A 53 -1.339 -9.002 -5.125 1.00 0.00 C ATOM 780 C ALA A 53 -1.242 -8.470 -6.553 1.00 0.00 C ATOM 781 O ALA A 53 -1.949 -8.938 -7.448 1.00 0.00 O ATOM 782 CB ALA A 53 -0.633 -10.345 -5.007 1.00 0.00 C ATOM 0 H ALA A 53 -3.035 -10.069 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.844 -8.292 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.405 -10.239 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.665 -10.683 -3.971 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.133 -11.076 -5.642 1.00 0.00 H new ATOM 788 N GLY A 54 -0.370 -7.485 -6.756 1.00 0.00 N ATOM 789 CA GLY A 54 -0.201 -6.896 -8.073 1.00 0.00 C ATOM 790 C GLY A 54 -0.911 -5.557 -8.207 1.00 0.00 C ATOM 791 O GLY A 54 -1.336 -5.180 -9.300 1.00 0.00 O ATOM 0 H GLY A 54 0.223 -7.084 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.862 -6.762 -8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.584 -7.584 -8.827 1.00 0.00 H new ATOM 795 N ASP A 55 -1.035 -4.837 -7.090 1.00 0.00 N ATOM 796 CA ASP A 55 -1.693 -3.533 -7.078 1.00 0.00 C ATOM 797 C ASP A 55 -0.686 -2.421 -6.771 1.00 0.00 C ATOM 798 O ASP A 55 0.509 -2.684 -6.621 1.00 0.00 O ATOM 799 CB ASP A 55 -2.826 -3.522 -6.043 1.00 0.00 C ATOM 800 CG ASP A 55 -4.201 -3.734 -6.658 1.00 0.00 C ATOM 801 OD1 ASP A 55 -4.363 -3.486 -7.874 1.00 0.00 O ATOM 802 OD2 ASP A 55 -5.121 -4.143 -5.918 1.00 0.00 O ATOM 0 H ASP A 55 -0.686 -5.138 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.115 -3.351 -8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.642 -4.301 -5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.815 -2.570 -5.512 1.00 0.00 H new ATOM 807 N GLN A 56 -1.174 -1.182 -6.680 1.00 0.00 N ATOM 808 CA GLN A 56 -0.312 -0.035 -6.394 1.00 0.00 C ATOM 809 C GLN A 56 -0.843 0.781 -5.214 1.00 0.00 C ATOM 810 O GLN A 56 -2.050 0.829 -4.972 1.00 0.00 O ATOM 811 CB GLN A 56 -0.193 0.859 -7.632 1.00 0.00 C ATOM 812 CG GLN A 56 0.851 1.958 -7.493 1.00 0.00 C ATOM 813 CD GLN A 56 0.825 2.953 -8.641 1.00 0.00 C ATOM 814 OE1 GLN A 56 0.047 2.816 -9.586 1.00 0.00 O ATOM 815 NE2 GLN A 56 1.680 3.966 -8.561 1.00 0.00 N ATOM 0 H GLN A 56 -2.160 -0.948 -6.800 1.00 0.00 H new ATOM 0 HA GLN A 56 0.673 -0.417 -6.127 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.056 0.240 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.162 1.314 -7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.688 2.490 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.841 1.505 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.307 4.042 -7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.709 4.668 -9.300 1.00 0.00 H new ATOM 824 N LEU A 57 0.073 1.428 -4.489 1.00 0.00 N ATOM 825 CA LEU A 57 -0.294 2.254 -3.337 1.00 0.00 C ATOM 826 C LEU A 57 -0.074 3.736 -3.635 1.00 0.00 C ATOM 827 O LEU A 57 0.810 4.098 -4.415 1.00 0.00 O ATOM 828 CB LEU A 57 0.523 1.848 -2.104 1.00 0.00 C ATOM 829 CG LEU A 57 -0.228 1.010 -1.066 1.00 0.00 C ATOM 830 CD1 LEU A 57 -1.318 1.834 -0.394 1.00 0.00 C ATOM 831 CD2 LEU A 57 -0.817 -0.239 -1.710 1.00 0.00 C ATOM 0 H LEU A 57 1.074 1.395 -4.680 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.353 2.093 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.396 1.287 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.891 2.752 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 57 0.482 0.698 -0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.839 1.219 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.869 2.693 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.027 2.181 -1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.347 -0.822 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.511 0.051 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.015 -0.841 -2.136 1.00 0.00 H new ATOM 843 N LEU A 58 -0.884 4.587 -3.005 1.00 0.00 N ATOM 844 CA LEU A 58 -0.786 6.034 -3.195 1.00 0.00 C ATOM 845 C LEU A 58 -0.632 6.755 -1.857 1.00 0.00 C ATOM 846 O LEU A 58 0.334 7.490 -1.645 1.00 0.00 O ATOM 847 CB LEU A 58 -2.028 6.558 -3.924 1.00 0.00 C ATOM 848 CG LEU A 58 -1.748 7.402 -5.170 1.00 0.00 C ATOM 849 CD1 LEU A 58 -2.954 7.395 -6.097 1.00 0.00 C ATOM 850 CD2 LEU A 58 -1.386 8.828 -4.781 1.00 0.00 C ATOM 0 H LEU A 58 -1.617 4.298 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 58 0.099 6.234 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.645 5.707 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.614 7.155 -3.225 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.901 6.964 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.739 8.000 -6.978 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.172 6.372 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.817 7.809 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.191 9.412 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.213 9.276 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.495 8.819 -4.154 1.00 0.00 H new ATOM 862 N SER A 59 -1.598 6.547 -0.962 1.00 0.00 N ATOM 863 CA SER A 59 -1.576 7.186 0.351 1.00 0.00 C ATOM 864 C SER A 59 -2.019 6.219 1.452 1.00 0.00 C ATOM 865 O SER A 59 -2.780 5.281 1.202 1.00 0.00 O ATOM 866 CB SER A 59 -2.479 8.424 0.347 1.00 0.00 C ATOM 867 OG SER A 59 -3.766 8.123 -0.171 1.00 0.00 O ATOM 0 H SER A 59 -2.403 5.942 -1.123 1.00 0.00 H new ATOM 0 HA SER A 59 -0.549 7.486 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.574 8.810 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.019 9.210 -0.251 1.00 0.00 H new ATOM 0 HG SER A 59 -3.759 8.227 -1.145 1.00 0.00 H new ATOM 873 N VAL A 60 -1.539 6.466 2.673 1.00 0.00 N ATOM 874 CA VAL A 60 -1.883 5.634 3.824 1.00 0.00 C ATOM 875 C VAL A 60 -2.156 6.500 5.051 1.00 0.00 C ATOM 876 O VAL A 60 -1.351 7.367 5.399 1.00 0.00 O ATOM 877 CB VAL A 60 -0.767 4.623 4.163 1.00 0.00 C ATOM 878 CG1 VAL A 60 -1.231 3.658 5.248 1.00 0.00 C ATOM 879 CG2 VAL A 60 -0.330 3.865 2.916 1.00 0.00 C ATOM 0 H VAL A 60 -0.909 7.239 2.889 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.781 5.079 3.552 1.00 0.00 H new ATOM 0 HB VAL A 60 0.093 5.175 4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.431 2.953 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.486 4.218 6.148 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.108 3.113 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.457 3.158 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.181 3.324 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.047 4.570 2.175 1.00 0.00 H new ATOM 889 N ASP A 61 -3.298 6.263 5.697 1.00 0.00 N ATOM 890 CA ASP A 61 -3.691 7.022 6.882 1.00 0.00 C ATOM 891 C ASP A 61 -3.755 8.522 6.571 1.00 0.00 C ATOM 892 O ASP A 61 -3.442 9.358 7.420 1.00 0.00 O ATOM 893 CB ASP A 61 -2.714 6.755 8.037 1.00 0.00 C ATOM 894 CG ASP A 61 -3.412 6.584 9.376 1.00 0.00 C ATOM 895 OD1 ASP A 61 -4.514 7.149 9.554 1.00 0.00 O ATOM 896 OD2 ASP A 61 -2.856 5.885 10.250 1.00 0.00 O ATOM 0 H ASP A 61 -3.969 5.548 5.417 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.686 6.694 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.136 5.857 7.817 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.006 7.581 8.105 1.00 0.00 H new ATOM 901 N GLY A 62 -4.159 8.854 5.341 1.00 0.00 N ATOM 902 CA GLY A 62 -4.251 10.247 4.936 1.00 0.00 C ATOM 903 C GLY A 62 -2.890 10.914 4.790 1.00 0.00 C ATOM 904 O GLY A 62 -2.788 12.140 4.850 1.00 0.00 O ATOM 0 H GLY A 62 -4.423 8.181 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -4.784 10.310 3.987 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.841 10.795 5.670 1.00 0.00 H new ATOM 908 N ARG A 63 -1.843 10.110 4.595 1.00 0.00 N ATOM 909 CA ARG A 63 -0.491 10.636 4.440 1.00 0.00 C ATOM 910 C ARG A 63 -0.021 10.521 2.995 1.00 0.00 C ATOM 911 O ARG A 63 -0.516 9.688 2.233 1.00 0.00 O ATOM 912 CB ARG A 63 0.479 9.893 5.358 1.00 0.00 C ATOM 913 CG ARG A 63 1.632 10.752 5.843 1.00 0.00 C ATOM 914 CD ARG A 63 2.896 10.502 5.033 1.00 0.00 C ATOM 915 NE ARG A 63 4.097 10.512 5.869 1.00 0.00 N ATOM 916 CZ ARG A 63 5.332 10.703 5.402 1.00 0.00 C ATOM 917 NH1 ARG A 63 5.542 10.883 4.100 1.00 0.00 N ATOM 918 NH2 ARG A 63 6.364 10.704 6.238 1.00 0.00 N ATOM 0 H ARG A 63 -1.908 9.094 4.541 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.510 11.690 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.068 9.513 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.878 9.028 4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.357 11.804 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.826 10.542 6.895 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.816 9.541 4.525 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.987 11.265 4.259 1.00 0.00 H new ATOM 0 HE ARG A 63 3.983 10.364 6.872 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.755 10.876 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.490 11.028 3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.212 10.559 7.236 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.309 10.850 5.882 1.00 0.00 H new ATOM 932 N SER A 64 0.946 11.357 2.632 1.00 0.00 N ATOM 933 CA SER A 64 1.500 11.354 1.281 1.00 0.00 C ATOM 934 C SER A 64 2.838 10.623 1.251 1.00 0.00 C ATOM 935 O SER A 64 3.875 11.192 1.594 1.00 0.00 O ATOM 936 CB SER A 64 1.677 12.786 0.766 1.00 0.00 C ATOM 937 OG SER A 64 1.582 12.834 -0.648 1.00 0.00 O ATOM 0 H SER A 64 1.364 12.047 3.256 1.00 0.00 H new ATOM 0 HA SER A 64 0.799 10.831 0.630 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.917 13.431 1.207 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.646 13.173 1.082 1.00 0.00 H new ATOM 0 HG SER A 64 1.697 13.758 -0.952 1.00 0.00 H new ATOM 943 N LEU A 65 2.811 9.360 0.832 1.00 0.00 N ATOM 944 CA LEU A 65 4.029 8.558 0.749 1.00 0.00 C ATOM 945 C LEU A 65 4.463 8.380 -0.705 1.00 0.00 C ATOM 946 O LEU A 65 5.094 7.380 -1.058 1.00 0.00 O ATOM 947 CB LEU A 65 3.825 7.193 1.418 1.00 0.00 C ATOM 948 CG LEU A 65 2.592 6.414 0.954 1.00 0.00 C ATOM 949 CD1 LEU A 65 2.934 4.945 0.753 1.00 0.00 C ATOM 950 CD2 LEU A 65 1.459 6.569 1.957 1.00 0.00 C ATOM 0 H LEU A 65 1.963 8.871 0.546 1.00 0.00 H new ATOM 0 HA LEU A 65 4.820 9.088 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.709 6.582 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.756 7.342 2.496 1.00 0.00 H new ATOM 0 HG LEU A 65 2.263 6.822 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.046 4.406 0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.715 4.853 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.287 4.522 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.589 6.009 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.777 6.186 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.198 7.623 2.051 1.00 0.00 H new ATOM 962 N VAL A 66 4.127 9.361 -1.545 1.00 0.00 N ATOM 963 CA VAL A 66 4.485 9.320 -2.954 1.00 0.00 C ATOM 964 C VAL A 66 5.870 9.916 -3.169 1.00 0.00 C ATOM 965 O VAL A 66 6.045 11.137 -3.186 1.00 0.00 O ATOM 966 CB VAL A 66 3.449 10.061 -3.820 1.00 0.00 C ATOM 967 CG1 VAL A 66 3.900 10.131 -5.272 1.00 0.00 C ATOM 968 CG2 VAL A 66 2.098 9.376 -3.707 1.00 0.00 C ATOM 0 H VAL A 66 3.606 10.193 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 66 4.496 8.275 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 66 3.357 11.084 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.150 10.659 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.850 10.663 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.024 9.121 -5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.369 9.905 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.183 8.345 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.771 9.386 -2.667 1.00 0.00 H new ATOM 978 N GLY A 67 6.848 9.033 -3.319 1.00 0.00 N ATOM 979 CA GLY A 67 8.224 9.457 -3.522 1.00 0.00 C ATOM 980 C GLY A 67 9.126 9.086 -2.356 1.00 0.00 C ATOM 981 O GLY A 67 10.087 9.798 -2.057 1.00 0.00 O ATOM 0 H GLY A 67 6.713 8.022 -3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.610 9.002 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.250 10.537 -3.668 1.00 0.00 H new ATOM 985 N LEU A 68 8.817 7.967 -1.698 1.00 0.00 N ATOM 986 CA LEU A 68 9.601 7.498 -0.561 1.00 0.00 C ATOM 987 C LEU A 68 10.179 6.116 -0.838 1.00 0.00 C ATOM 988 O LEU A 68 9.636 5.356 -1.642 1.00 0.00 O ATOM 989 CB LEU A 68 8.730 7.443 0.697 1.00 0.00 C ATOM 990 CG LEU A 68 8.535 8.776 1.421 1.00 0.00 C ATOM 991 CD1 LEU A 68 7.561 8.611 2.578 1.00 0.00 C ATOM 992 CD2 LEU A 68 9.869 9.320 1.916 1.00 0.00 C ATOM 0 H LEU A 68 8.026 7.369 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 68 10.421 8.199 -0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.750 7.052 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.174 6.732 1.394 1.00 0.00 H new ATOM 0 HG LEU A 68 8.117 9.494 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.432 9.568 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.599 8.269 2.197 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.954 7.878 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.708 10.269 2.428 1.00 0.00 H new ATOM 0 HD22 LEU A 68 10.319 8.607 2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.536 9.474 1.068 1.00 0.00 H new ATOM 1004 N SER A 69 11.275 5.790 -0.157 1.00 0.00 N ATOM 1005 CA SER A 69 11.913 4.491 -0.319 1.00 0.00 C ATOM 1006 C SER A 69 11.016 3.391 0.241 1.00 0.00 C ATOM 1007 O SER A 69 10.157 3.651 1.086 1.00 0.00 O ATOM 1008 CB SER A 69 13.275 4.469 0.383 1.00 0.00 C ATOM 1009 OG SER A 69 13.128 4.548 1.792 1.00 0.00 O ATOM 0 H SER A 69 11.737 6.408 0.510 1.00 0.00 H new ATOM 0 HA SER A 69 12.069 4.313 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.807 3.555 0.121 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.882 5.303 0.031 1.00 0.00 H new ATOM 0 HG SER A 69 14.012 4.530 2.215 1.00 0.00 H new ATOM 1015 N GLN A 70 11.220 2.165 -0.230 1.00 0.00 N ATOM 1016 CA GLN A 70 10.426 1.028 0.231 1.00 0.00 C ATOM 1017 C GLN A 70 10.426 0.941 1.759 1.00 0.00 C ATOM 1018 O GLN A 70 9.397 0.652 2.370 1.00 0.00 O ATOM 1019 CB GLN A 70 10.963 -0.273 -0.365 1.00 0.00 C ATOM 1020 CG GLN A 70 10.160 -1.499 0.033 1.00 0.00 C ATOM 1021 CD GLN A 70 10.979 -2.774 -0.003 1.00 0.00 C ATOM 1022 OE1 GLN A 70 12.206 -2.744 0.104 1.00 0.00 O ATOM 1023 NE2 GLN A 70 10.303 -3.904 -0.148 1.00 0.00 N ATOM 0 H GLN A 70 11.926 1.932 -0.929 1.00 0.00 H new ATOM 0 HA GLN A 70 9.400 1.177 -0.105 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.969 -0.190 -1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 70 11.998 -0.408 -0.049 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.762 -1.357 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.306 -1.602 -0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.287 -3.883 -0.233 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.799 -4.795 -0.175 1.00 0.00 H new ATOM 1032 N GLU A 71 11.586 1.198 2.368 1.00 0.00 N ATOM 1033 CA GLU A 71 11.714 1.153 3.823 1.00 0.00 C ATOM 1034 C GLU A 71 10.747 2.131 4.484 1.00 0.00 C ATOM 1035 O GLU A 71 9.957 1.747 5.347 1.00 0.00 O ATOM 1036 CB GLU A 71 13.152 1.471 4.245 1.00 0.00 C ATOM 1037 CG GLU A 71 13.594 0.732 5.498 1.00 0.00 C ATOM 1038 CD GLU A 71 13.917 -0.726 5.232 1.00 0.00 C ATOM 1039 OE1 GLU A 71 15.015 -1.004 4.705 1.00 0.00 O ATOM 1040 OE2 GLU A 71 13.071 -1.588 5.549 1.00 0.00 O ATOM 0 H GLU A 71 12.447 1.439 1.876 1.00 0.00 H new ATOM 0 HA GLU A 71 11.465 0.144 4.152 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.827 1.218 3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.244 2.544 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.472 1.225 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.807 0.795 6.249 1.00 0.00 H new ATOM 1047 N ARG A 72 10.808 3.397 4.064 1.00 0.00 N ATOM 1048 CA ARG A 72 9.931 4.431 4.609 1.00 0.00 C ATOM 1049 C ARG A 72 8.465 4.099 4.340 1.00 0.00 C ATOM 1050 O ARG A 72 7.607 4.317 5.195 1.00 0.00 O ATOM 1051 CB ARG A 72 10.270 5.803 4.012 1.00 0.00 C ATOM 1052 CG ARG A 72 11.687 6.269 4.308 1.00 0.00 C ATOM 1053 CD ARG A 72 11.874 6.592 5.783 1.00 0.00 C ATOM 1054 NE ARG A 72 11.895 8.035 6.033 1.00 0.00 N ATOM 1055 CZ ARG A 72 12.166 8.582 7.219 1.00 0.00 C ATOM 1056 NH1 ARG A 72 12.433 7.814 8.271 1.00 0.00 N ATOM 1057 NH2 ARG A 72 12.168 9.904 7.356 1.00 0.00 N ATOM 0 H ARG A 72 11.455 3.728 3.349 1.00 0.00 H new ATOM 0 HA ARG A 72 10.091 4.466 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.129 5.764 2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.567 6.541 4.399 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.395 5.494 4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.913 7.152 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.068 6.137 6.358 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.806 6.150 6.135 1.00 0.00 H new ATOM 0 HE ARG A 72 11.690 8.659 5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.432 6.799 8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.639 8.240 9.174 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.962 10.500 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.375 10.322 8.263 1.00 0.00 H new ATOM 1071 N ALA A 73 8.188 3.564 3.149 1.00 0.00 N ATOM 1072 CA ALA A 73 6.826 3.195 2.771 1.00 0.00 C ATOM 1073 C ALA A 73 6.214 2.246 3.796 1.00 0.00 C ATOM 1074 O ALA A 73 5.228 2.585 4.453 1.00 0.00 O ATOM 1075 CB ALA A 73 6.812 2.562 1.387 1.00 0.00 C ATOM 0 H ALA A 73 8.889 3.378 2.432 1.00 0.00 H new ATOM 0 HA ALA A 73 6.223 4.103 2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.790 2.293 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.202 3.272 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.434 1.667 1.390 1.00 0.00 H new ATOM 1081 N ALA A 74 6.812 1.062 3.942 1.00 0.00 N ATOM 1082 CA ALA A 74 6.321 0.080 4.906 1.00 0.00 C ATOM 1083 C ALA A 74 6.324 0.665 6.316 1.00 0.00 C ATOM 1084 O ALA A 74 5.273 0.779 6.943 1.00 0.00 O ATOM 1085 CB ALA A 74 7.156 -1.193 4.857 1.00 0.00 C ATOM 0 H ALA A 74 7.629 0.763 3.410 1.00 0.00 H new ATOM 0 HA ALA A 74 5.296 -0.174 4.638 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.771 -1.909 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.102 -1.625 3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.193 -0.957 5.095 1.00 0.00 H new ATOM 1091 N GLU A 75 7.515 1.038 6.797 1.00 0.00 N ATOM 1092 CA GLU A 75 7.685 1.624 8.132 1.00 0.00 C ATOM 1093 C GLU A 75 6.570 2.622 8.464 1.00 0.00 C ATOM 1094 O GLU A 75 6.021 2.599 9.566 1.00 0.00 O ATOM 1095 CB GLU A 75 9.048 2.316 8.233 1.00 0.00 C ATOM 1096 CG GLU A 75 9.476 2.624 9.660 1.00 0.00 C ATOM 1097 CD GLU A 75 10.952 2.954 9.770 1.00 0.00 C ATOM 1098 OE1 GLU A 75 11.343 4.077 9.382 1.00 0.00 O ATOM 1099 OE2 GLU A 75 11.719 2.091 10.246 1.00 0.00 O ATOM 0 H GLU A 75 8.386 0.943 6.274 1.00 0.00 H new ATOM 0 HA GLU A 75 7.631 0.811 8.856 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.802 1.682 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.016 3.245 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.891 3.463 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.251 1.767 10.295 1.00 0.00 H new ATOM 1106 N LEU A 76 6.240 3.493 7.508 1.00 0.00 N ATOM 1107 CA LEU A 76 5.187 4.490 7.711 1.00 0.00 C ATOM 1108 C LEU A 76 3.858 3.814 8.058 1.00 0.00 C ATOM 1109 O LEU A 76 3.133 4.267 8.945 1.00 0.00 O ATOM 1110 CB LEU A 76 5.022 5.361 6.458 1.00 0.00 C ATOM 1111 CG LEU A 76 5.789 6.689 6.469 1.00 0.00 C ATOM 1112 CD1 LEU A 76 5.536 7.459 5.181 1.00 0.00 C ATOM 1113 CD2 LEU A 76 5.396 7.530 7.677 1.00 0.00 C ATOM 0 H LEU A 76 6.684 3.528 6.590 1.00 0.00 H new ATOM 0 HA LEU A 76 5.481 5.126 8.546 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.343 4.784 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.962 5.575 6.323 1.00 0.00 H new ATOM 0 HG LEU A 76 6.854 6.468 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.087 8.399 5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.869 6.864 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.470 7.666 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.952 8.467 7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.327 7.742 7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.627 6.983 8.591 1.00 0.00 H new ATOM 1125 N MET A 77 3.554 2.725 7.355 1.00 0.00 N ATOM 1126 CA MET A 77 2.322 1.970 7.580 1.00 0.00 C ATOM 1127 C MET A 77 2.455 1.030 8.780 1.00 0.00 C ATOM 1128 O MET A 77 1.466 0.721 9.444 1.00 0.00 O ATOM 1129 CB MET A 77 1.965 1.164 6.331 1.00 0.00 C ATOM 1130 CG MET A 77 1.720 2.023 5.100 1.00 0.00 C ATOM 1131 SD MET A 77 2.565 1.406 3.633 1.00 0.00 S ATOM 1132 CE MET A 77 1.982 -0.286 3.591 1.00 0.00 C ATOM 0 H MET A 77 4.149 2.343 6.619 1.00 0.00 H new ATOM 0 HA MET A 77 1.527 2.684 7.793 1.00 0.00 H new ATOM 0 HB2 MET A 77 2.772 0.462 6.119 1.00 0.00 H new ATOM 0 HB3 MET A 77 1.073 0.572 6.534 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.649 2.069 4.903 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.051 3.041 5.302 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.013 -0.656 2.566 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.620 -0.906 4.221 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.957 -0.327 3.960 1.00 0.00 H new ATOM 1142 N THR A 78 3.680 0.576 9.053 1.00 0.00 N ATOM 1143 CA THR A 78 3.934 -0.325 10.175 1.00 0.00 C ATOM 1144 C THR A 78 3.588 0.353 11.502 1.00 0.00 C ATOM 1145 O THR A 78 3.171 -0.308 12.456 1.00 0.00 O ATOM 1146 CB THR A 78 5.402 -0.774 10.186 1.00 0.00 C ATOM 1147 OG1 THR A 78 5.996 -0.610 8.911 1.00 0.00 O ATOM 1148 CG2 THR A 78 5.588 -2.222 10.580 1.00 0.00 C ATOM 0 H THR A 78 4.510 0.818 8.512 1.00 0.00 H new ATOM 0 HA THR A 78 3.298 -1.202 10.053 1.00 0.00 H new ATOM 0 HB THR A 78 5.880 -0.140 10.933 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.794 -1.175 8.847 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.649 -2.469 10.566 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.192 -2.380 11.583 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.057 -2.862 9.875 1.00 0.00 H new ATOM 1156 N ARG A 79 3.763 1.676 11.555 1.00 0.00 N ATOM 1157 CA ARG A 79 3.475 2.447 12.761 1.00 0.00 C ATOM 1158 C ARG A 79 2.123 3.166 12.654 1.00 0.00 C ATOM 1159 O ARG A 79 2.002 4.332 13.037 1.00 0.00 O ATOM 1160 CB ARG A 79 4.598 3.464 13.008 1.00 0.00 C ATOM 1161 CG ARG A 79 5.986 2.843 13.073 1.00 0.00 C ATOM 1162 CD ARG A 79 7.074 3.907 13.129 1.00 0.00 C ATOM 1163 NE ARG A 79 7.356 4.480 11.811 1.00 0.00 N ATOM 1164 CZ ARG A 79 8.214 5.481 11.601 1.00 0.00 C ATOM 1165 NH1 ARG A 79 8.879 6.025 12.617 1.00 0.00 N ATOM 1166 NH2 ARG A 79 8.406 5.944 10.371 1.00 0.00 N ATOM 0 H ARG A 79 4.104 2.234 10.773 1.00 0.00 H new ATOM 0 HA ARG A 79 3.420 1.757 13.603 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.581 4.210 12.214 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.401 3.989 13.943 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.058 2.202 13.952 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.142 2.208 12.201 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.769 4.701 13.811 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.986 3.471 13.536 1.00 0.00 H new ATOM 0 HE ARG A 79 6.867 4.091 11.005 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.735 5.678 13.565 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.533 6.789 12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.898 5.535 9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.062 6.709 10.211 1.00 0.00 H new ATOM 1180 N THR A 80 1.106 2.469 12.137 1.00 0.00 N ATOM 1181 CA THR A 80 -0.231 3.057 11.991 1.00 0.00 C ATOM 1182 C THR A 80 -1.040 2.916 13.279 1.00 0.00 C ATOM 1183 O THR A 80 -0.652 2.184 14.192 1.00 0.00 O ATOM 1184 CB THR A 80 -0.996 2.401 10.836 1.00 0.00 C ATOM 1185 OG1 THR A 80 -0.831 0.993 10.853 1.00 0.00 O ATOM 1186 CG2 THR A 80 -0.575 2.900 9.471 1.00 0.00 C ATOM 0 H THR A 80 1.181 1.504 11.815 1.00 0.00 H new ATOM 0 HA THR A 80 -0.095 4.116 11.773 1.00 0.00 H new ATOM 0 HB THR A 80 -2.039 2.676 10.995 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.052 0.748 10.310 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.158 2.392 8.702 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.748 3.974 9.407 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.484 2.693 9.319 1.00 0.00 H new ATOM 1194 N SER A 81 -2.173 3.619 13.341 1.00 0.00 N ATOM 1195 CA SER A 81 -3.047 3.572 14.511 1.00 0.00 C ATOM 1196 C SER A 81 -4.114 2.487 14.347 1.00 0.00 C ATOM 1197 O SER A 81 -4.004 1.629 13.469 1.00 0.00 O ATOM 1198 CB SER A 81 -3.704 4.942 14.728 1.00 0.00 C ATOM 1199 OG SER A 81 -4.628 5.238 13.693 1.00 0.00 O ATOM 0 H SER A 81 -2.505 4.228 12.593 1.00 0.00 H new ATOM 0 HA SER A 81 -2.445 3.326 15.386 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.216 4.954 15.690 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.936 5.715 14.765 1.00 0.00 H new ATOM 0 HG SER A 81 -5.033 6.115 13.857 1.00 0.00 H new ATOM 1205 N SER A 82 -5.146 2.529 15.194 1.00 0.00 N ATOM 1206 CA SER A 82 -6.231 1.548 15.136 1.00 0.00 C ATOM 1207 C SER A 82 -6.797 1.437 13.720 1.00 0.00 C ATOM 1208 O SER A 82 -6.894 0.340 13.167 1.00 0.00 O ATOM 1209 CB SER A 82 -7.347 1.929 16.115 1.00 0.00 C ATOM 1210 OG SER A 82 -7.508 3.335 16.185 1.00 0.00 O ATOM 0 H SER A 82 -5.252 3.231 15.927 1.00 0.00 H new ATOM 0 HA SER A 82 -5.822 0.578 15.420 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.283 1.468 15.801 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.115 1.537 17.105 1.00 0.00 H new ATOM 0 HG SER A 82 -8.227 3.551 16.815 1.00 0.00 H new ATOM 1216 N VAL A 83 -7.167 2.578 13.138 1.00 0.00 N ATOM 1217 CA VAL A 83 -7.721 2.606 11.787 1.00 0.00 C ATOM 1218 C VAL A 83 -6.623 2.805 10.743 1.00 0.00 C ATOM 1219 O VAL A 83 -5.672 3.559 10.963 1.00 0.00 O ATOM 1220 CB VAL A 83 -8.777 3.721 11.627 1.00 0.00 C ATOM 1221 CG1 VAL A 83 -9.474 3.614 10.277 1.00 0.00 C ATOM 1222 CG2 VAL A 83 -9.790 3.664 12.760 1.00 0.00 C ATOM 0 H VAL A 83 -7.093 3.493 13.582 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.201 1.640 11.627 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.267 4.683 11.671 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.214 4.409 10.185 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.738 3.710 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.970 2.646 10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.526 4.457 12.630 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.293 2.697 12.750 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.278 3.797 13.713 1.00 0.00 H new ATOM 1232 N VAL A 84 -6.763 2.120 9.608 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.788 2.214 8.525 1.00 0.00 C ATOM 1234 C VAL A 84 -6.478 2.523 7.197 1.00 0.00 C ATOM 1235 O VAL A 84 -7.201 1.686 6.651 1.00 0.00 O ATOM 1236 CB VAL A 84 -4.970 0.912 8.383 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -3.791 1.123 7.444 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.491 0.422 9.743 1.00 0.00 C ATOM 0 H VAL A 84 -7.544 1.493 9.416 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.108 3.028 8.778 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.619 0.147 7.956 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.226 0.195 7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.157 1.420 6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.145 1.905 7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.917 -0.496 9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.861 1.183 10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.351 0.228 10.383 1.00 0.00 H new ATOM 1248 N THR A 85 -6.250 3.732 6.687 1.00 0.00 N ATOM 1249 CA THR A 85 -6.847 4.164 5.425 1.00 0.00 C ATOM 1250 C THR A 85 -5.835 4.069 4.281 1.00 0.00 C ATOM 1251 O THR A 85 -5.011 4.965 4.095 1.00 0.00 O ATOM 1252 CB THR A 85 -7.373 5.601 5.548 1.00 0.00 C ATOM 1253 OG1 THR A 85 -7.608 5.942 6.905 1.00 0.00 O ATOM 1254 CG2 THR A 85 -8.663 5.832 4.793 1.00 0.00 C ATOM 0 H THR A 85 -5.654 4.431 7.130 1.00 0.00 H new ATOM 0 HA THR A 85 -7.682 3.500 5.200 1.00 0.00 H new ATOM 0 HB THR A 85 -6.594 6.227 5.113 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.941 6.862 6.958 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.980 6.867 4.922 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.506 5.630 3.734 1.00 0.00 H new ATOM 0 HG23 THR A 85 -9.435 5.166 5.179 1.00 0.00 H new ATOM 1262 N LEU A 86 -5.901 2.975 3.523 1.00 0.00 N ATOM 1263 CA LEU A 86 -4.987 2.759 2.401 1.00 0.00 C ATOM 1264 C LEU A 86 -5.685 2.986 1.062 1.00 0.00 C ATOM 1265 O LEU A 86 -6.811 2.530 0.852 1.00 0.00 O ATOM 1266 CB LEU A 86 -4.413 1.340 2.443 1.00 0.00 C ATOM 1267 CG LEU A 86 -3.489 1.043 3.629 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -4.051 -0.091 4.473 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -2.086 0.705 3.142 1.00 0.00 C ATOM 0 H LEU A 86 -6.577 2.225 3.665 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.177 3.482 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.241 0.631 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.861 1.161 1.520 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.430 1.936 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.381 -0.288 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.033 0.190 4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.141 -0.989 3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.444 0.497 3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.126 -0.173 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.682 1.548 2.582 1.00 0.00 H new ATOM 1281 N GLU A 87 -4.998 3.683 0.156 1.00 0.00 N ATOM 1282 CA GLU A 87 -5.536 3.966 -1.173 1.00 0.00 C ATOM 1283 C GLU A 87 -4.833 3.110 -2.225 1.00 0.00 C ATOM 1284 O GLU A 87 -3.667 3.344 -2.553 1.00 0.00 O ATOM 1285 CB GLU A 87 -5.378 5.454 -1.503 1.00 0.00 C ATOM 1286 CG GLU A 87 -5.897 5.841 -2.879 1.00 0.00 C ATOM 1287 CD GLU A 87 -6.053 7.342 -3.040 1.00 0.00 C ATOM 1288 OE1 GLU A 87 -5.020 8.040 -3.126 1.00 0.00 O ATOM 1289 OE2 GLU A 87 -7.208 7.818 -3.079 1.00 0.00 O ATOM 0 H GLU A 87 -4.065 4.062 0.320 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.598 3.719 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -5.904 6.041 -0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.323 5.721 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.213 5.466 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.859 5.358 -3.050 1.00 0.00 H new ATOM 1296 N VAL A 88 -5.549 2.111 -2.739 1.00 0.00 N ATOM 1297 CA VAL A 88 -4.998 1.206 -3.745 1.00 0.00 C ATOM 1298 C VAL A 88 -5.602 1.465 -5.128 1.00 0.00 C ATOM 1299 O VAL A 88 -6.741 1.923 -5.245 1.00 0.00 O ATOM 1300 CB VAL A 88 -5.233 -0.269 -3.351 1.00 0.00 C ATOM 1301 CG1 VAL A 88 -6.723 -0.576 -3.267 1.00 0.00 C ATOM 1302 CG2 VAL A 88 -4.541 -1.205 -4.331 1.00 0.00 C ATOM 0 H VAL A 88 -6.513 1.908 -2.475 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.926 1.399 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.799 -0.431 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.864 -1.620 -2.988 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.185 0.066 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.187 -0.393 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.719 -2.239 -4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.938 -1.041 -5.333 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.469 -1.007 -4.328 1.00 0.00 H new ATOM 1312 N ALA A 89 -4.828 1.162 -6.171 1.00 0.00 N ATOM 1313 CA ALA A 89 -5.279 1.352 -7.545 1.00 0.00 C ATOM 1314 C ALA A 89 -5.734 0.031 -8.162 1.00 0.00 C ATOM 1315 O ALA A 89 -4.915 -0.765 -8.625 1.00 0.00 O ATOM 1316 CB ALA A 89 -4.174 1.984 -8.381 1.00 0.00 C ATOM 0 H ALA A 89 -3.885 0.783 -6.087 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.135 2.026 -7.532 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.524 2.120 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.906 2.952 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.300 1.333 -8.380 1.00 0.00 H new ATOM 1322 N LYS A 90 -7.049 -0.189 -8.164 1.00 0.00 N ATOM 1323 CA LYS A 90 -7.629 -1.405 -8.725 1.00 0.00 C ATOM 1324 C LYS A 90 -7.456 -1.428 -10.241 1.00 0.00 C ATOM 1325 O LYS A 90 -8.095 -0.659 -10.962 1.00 0.00 O ATOM 1326 CB LYS A 90 -9.117 -1.505 -8.364 1.00 0.00 C ATOM 1327 CG LYS A 90 -9.431 -2.589 -7.341 1.00 0.00 C ATOM 1328 CD LYS A 90 -10.478 -3.565 -7.861 1.00 0.00 C ATOM 1329 CE LYS A 90 -11.865 -3.229 -7.336 1.00 0.00 C ATOM 1330 NZ LYS A 90 -12.904 -4.152 -7.874 1.00 0.00 N ATOM 0 H LYS A 90 -7.733 0.463 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.107 -2.262 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.452 -0.544 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.689 -1.698 -9.271 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.519 -3.131 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.788 -2.128 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.486 -3.545 -8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.211 -4.579 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.863 -3.281 -6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.116 -2.203 -7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.834 -3.888 -7.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.925 -4.085 -8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.679 -5.128 -7.595 1.00 0.00 H new ATOM 1421 N SER B 101 10.545 -7.061 -1.300 1.00 0.00 N ATOM 1422 CA SER B 101 9.195 -7.139 -0.743 1.00 0.00 C ATOM 1423 C SER B 101 9.231 -7.194 0.785 1.00 0.00 C ATOM 1424 O SER B 101 9.699 -8.173 1.370 1.00 0.00 O ATOM 1425 CB SER B 101 8.453 -8.361 -1.301 1.00 0.00 C ATOM 1426 OG SER B 101 9.019 -9.573 -0.831 1.00 0.00 O ATOM 0 HA SER B 101 8.659 -6.237 -1.038 1.00 0.00 H new ATOM 0 HB2 SER B 101 7.403 -8.313 -1.013 1.00 0.00 H new ATOM 0 HB3 SER B 101 8.486 -8.341 -2.390 1.00 0.00 H new ATOM 0 HG SER B 101 9.547 -9.396 -0.025 1.00 0.00 H new ATOM 1432 N THR B 102 8.730 -6.138 1.429 1.00 0.00 N ATOM 1433 CA THR B 102 8.702 -6.076 2.890 1.00 0.00 C ATOM 1434 C THR B 102 7.382 -6.633 3.420 1.00 0.00 C ATOM 1435 O THR B 102 6.626 -7.263 2.679 1.00 0.00 O ATOM 1436 CB THR B 102 8.900 -4.631 3.379 1.00 0.00 C ATOM 1437 OG1 THR B 102 7.747 -3.849 3.124 1.00 0.00 O ATOM 1438 CG2 THR B 102 10.079 -3.927 2.740 1.00 0.00 C ATOM 0 H THR B 102 8.340 -5.318 0.964 1.00 0.00 H new ATOM 0 HA THR B 102 9.521 -6.685 3.272 1.00 0.00 H new ATOM 0 HB THR B 102 9.091 -4.721 4.448 1.00 0.00 H new ATOM 0 HG1 THR B 102 7.139 -3.903 3.891 1.00 0.00 H new ATOM 0 HG21 THR B 102 10.155 -2.914 3.134 1.00 0.00 H new ATOM 0 HG22 THR B 102 10.995 -4.473 2.965 1.00 0.00 H new ATOM 0 HG23 THR B 102 9.937 -3.887 1.660 1.00 0.00 H new