USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 737 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 19 ASN : amide:sc= 0.225 X(o=0.23,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0551 USER MOD Single : A 24 LYS NZ :NH3+ 171:sc= 0.0147 (180deg=0.0116) USER MOD Single : A 36 THR OG1 : rot -88:sc= 0.189 USER MOD Single : A 41 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.025) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -83:sc= 0.0501 USER MOD Single : A 52 GLN : amide:sc= 0.424 X(o=0.42,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.563) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= -1.25 (180deg=-3.11!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00134 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 73 ASN : amide:sc= 0.691 K(o=0.69,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0.926 K(o=0.93,f=-4.2!) USER MOD Single : A 80 TYR OH : rot -16:sc= 0.0963 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.21) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N PHE A 8 -10.184 11.399 -4.188 1.00 0.00 N ATOM 118 CA PHE A 8 -9.552 10.985 -2.939 1.00 0.00 C ATOM 119 C PHE A 8 -8.264 10.197 -3.176 1.00 0.00 C ATOM 120 O PHE A 8 -7.287 10.356 -2.442 1.00 0.00 O ATOM 121 CB PHE A 8 -10.522 10.138 -2.116 1.00 0.00 C ATOM 122 CG PHE A 8 -10.317 10.262 -0.637 1.00 0.00 C ATOM 123 CD1 PHE A 8 -10.909 11.293 0.073 1.00 0.00 C ATOM 124 CD2 PHE A 8 -9.527 9.350 0.043 1.00 0.00 C ATOM 125 CE1 PHE A 8 -10.717 11.413 1.435 1.00 0.00 C ATOM 126 CE2 PHE A 8 -9.332 9.463 1.406 1.00 0.00 C ATOM 127 CZ PHE A 8 -9.927 10.497 2.103 1.00 0.00 C ATOM 0 HA PHE A 8 -9.292 11.893 -2.394 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -11.544 10.430 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -10.413 9.092 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.528 12.011 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.058 8.542 -0.498 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -11.184 12.222 1.978 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.716 8.744 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.775 10.589 3.168 1.00 0.00 H new ATOM 137 N LEU A 9 -8.268 9.360 -4.208 1.00 0.00 N ATOM 138 CA LEU A 9 -7.119 8.512 -4.531 1.00 0.00 C ATOM 139 C LEU A 9 -5.864 9.290 -4.993 1.00 0.00 C ATOM 140 O LEU A 9 -4.761 8.965 -4.556 1.00 0.00 O ATOM 141 CB LEU A 9 -7.519 7.464 -5.575 1.00 0.00 C ATOM 142 CG LEU A 9 -8.347 6.292 -5.024 1.00 0.00 C ATOM 143 CD1 LEU A 9 -9.251 5.719 -6.105 1.00 0.00 C ATOM 144 CD2 LEU A 9 -7.441 5.205 -4.461 1.00 0.00 C ATOM 0 H LEU A 9 -9.060 9.248 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.831 8.024 -3.600 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.090 7.955 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.615 7.067 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.971 6.671 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.829 4.891 -5.695 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.930 6.494 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.643 5.361 -6.936 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.050 4.387 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.787 4.832 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.837 5.617 -3.653 1.00 0.00 H new ATOM 156 N PRO A 10 -5.980 10.308 -5.885 1.00 0.00 N ATOM 157 CA PRO A 10 -4.811 11.072 -6.350 1.00 0.00 C ATOM 158 C PRO A 10 -4.211 11.979 -5.270 1.00 0.00 C ATOM 159 O PRO A 10 -3.077 12.440 -5.403 1.00 0.00 O ATOM 160 CB PRO A 10 -5.355 11.923 -7.510 1.00 0.00 C ATOM 161 CG PRO A 10 -6.718 11.394 -7.799 1.00 0.00 C ATOM 162 CD PRO A 10 -7.213 10.785 -6.523 1.00 0.00 C ATOM 0 HA PRO A 10 -4.001 10.401 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.395 12.977 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.712 11.846 -8.387 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.382 12.192 -8.132 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.686 10.652 -8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.732 11.515 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.912 9.970 -6.709 1.00 0.00 H new ATOM 170 N GLU A 11 -4.970 12.228 -4.204 1.00 0.00 N ATOM 171 CA GLU A 11 -4.507 13.087 -3.115 1.00 0.00 C ATOM 172 C GLU A 11 -3.662 12.309 -2.102 1.00 0.00 C ATOM 173 O GLU A 11 -2.666 12.823 -1.591 1.00 0.00 O ATOM 174 CB GLU A 11 -5.702 13.735 -2.415 1.00 0.00 C ATOM 175 CG GLU A 11 -6.317 14.886 -3.200 1.00 0.00 C ATOM 176 CD GLU A 11 -7.323 15.671 -2.383 1.00 0.00 C ATOM 177 OE1 GLU A 11 -8.490 15.237 -2.303 1.00 0.00 O ATOM 178 OE2 GLU A 11 -6.939 16.717 -1.818 1.00 0.00 O ATOM 0 H GLU A 11 -5.907 11.848 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.876 13.863 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.465 12.977 -2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.386 14.100 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.526 15.555 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.805 14.494 -4.092 1.00 0.00 H new ATOM 185 N ILE A 12 -4.059 11.068 -1.824 1.00 0.00 N ATOM 186 CA ILE A 12 -3.335 10.227 -0.872 1.00 0.00 C ATOM 187 C ILE A 12 -2.033 9.694 -1.470 1.00 0.00 C ATOM 188 O ILE A 12 -1.067 9.451 -0.746 1.00 0.00 O ATOM 189 CB ILE A 12 -4.192 9.041 -0.362 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.906 8.334 -1.515 1.00 0.00 C ATOM 191 CG2 ILE A 12 -5.205 9.525 0.664 1.00 0.00 C ATOM 192 CD1 ILE A 12 -4.259 7.028 -1.923 1.00 0.00 C ATOM 0 H ILE A 12 -4.876 10.624 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.101 10.869 -0.023 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.522 8.323 0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.940 8.143 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.933 9.001 -2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.800 8.681 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.682 9.975 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.860 10.266 0.207 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.821 6.585 -2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.234 7.214 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.256 6.343 -1.075 1.00 0.00 H new ATOM 204 N LEU A 13 -2.024 9.501 -2.792 1.00 0.00 N ATOM 205 CA LEU A 13 -0.851 8.984 -3.498 1.00 0.00 C ATOM 206 C LEU A 13 0.378 9.878 -3.294 1.00 0.00 C ATOM 207 O LEU A 13 1.481 9.382 -3.085 1.00 0.00 O ATOM 208 CB LEU A 13 -1.153 8.846 -4.996 1.00 0.00 C ATOM 209 CG LEU A 13 -0.583 7.588 -5.663 1.00 0.00 C ATOM 210 CD1 LEU A 13 -1.409 7.205 -6.880 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.872 7.802 -6.055 1.00 0.00 C ATOM 0 H LEU A 13 -2.822 9.697 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.623 8.004 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.234 8.853 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.759 9.722 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.630 6.770 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.988 6.310 -7.339 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.436 7.007 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.396 8.023 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.258 6.898 -6.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.942 8.635 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.459 8.026 -5.165 1.00 0.00 H new ATOM 223 N ALA A 14 0.179 11.191 -3.349 1.00 0.00 N ATOM 224 CA ALA A 14 1.274 12.145 -3.177 1.00 0.00 C ATOM 225 C ALA A 14 1.878 12.065 -1.776 1.00 0.00 C ATOM 226 O ALA A 14 3.099 12.100 -1.615 1.00 0.00 O ATOM 227 CB ALA A 14 0.782 13.557 -3.461 1.00 0.00 C ATOM 0 H ALA A 14 -0.731 11.621 -3.512 1.00 0.00 H new ATOM 0 HA ALA A 14 2.059 11.886 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.603 14.262 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.413 13.615 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.024 13.807 -2.771 1.00 0.00 H new ATOM 233 N GLU A 15 1.016 11.948 -0.768 1.00 0.00 N ATOM 234 CA GLU A 15 1.456 11.874 0.625 1.00 0.00 C ATOM 235 C GLU A 15 2.055 10.510 0.992 1.00 0.00 C ATOM 236 O GLU A 15 2.654 10.371 2.055 1.00 0.00 O ATOM 237 CB GLU A 15 0.290 12.185 1.565 1.00 0.00 C ATOM 238 CG GLU A 15 -0.097 13.656 1.601 1.00 0.00 C ATOM 239 CD GLU A 15 -1.256 13.926 2.538 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.419 13.794 2.099 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.005 14.266 3.713 1.00 0.00 O ATOM 0 H GLU A 15 0.004 11.902 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 15 2.244 12.618 0.741 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.577 11.599 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.553 11.864 2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.764 14.248 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.362 13.984 0.596 1.00 0.00 H new ATOM 248 N ILE A 16 1.904 9.504 0.128 1.00 0.00 N ATOM 249 CA ILE A 16 2.441 8.174 0.435 1.00 0.00 C ATOM 250 C ILE A 16 3.834 7.947 -0.167 1.00 0.00 C ATOM 251 O ILE A 16 4.634 7.214 0.403 1.00 0.00 O ATOM 252 CB ILE A 16 1.487 7.028 -0.010 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.876 5.717 0.683 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.505 6.846 -1.519 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.722 4.754 0.868 1.00 0.00 C ATOM 0 H ILE A 16 1.426 9.579 -0.770 1.00 0.00 H new ATOM 0 HA ILE A 16 2.528 8.147 1.521 1.00 0.00 H new ATOM 0 HB ILE A 16 0.474 7.303 0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.655 5.227 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.305 5.947 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.828 6.038 -1.796 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.184 7.770 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.516 6.600 -1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.077 3.851 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.050 5.224 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.307 4.493 -0.105 1.00 0.00 H new ATOM 267 N ILE A 17 4.139 8.583 -1.299 1.00 0.00 N ATOM 268 CA ILE A 17 5.446 8.399 -1.941 1.00 0.00 C ATOM 269 C ILE A 17 6.600 8.897 -1.065 1.00 0.00 C ATOM 270 O ILE A 17 7.643 8.249 -0.973 1.00 0.00 O ATOM 271 CB ILE A 17 5.532 9.112 -3.310 1.00 0.00 C ATOM 272 CG1 ILE A 17 4.309 8.796 -4.170 1.00 0.00 C ATOM 273 CG2 ILE A 17 6.805 8.705 -4.042 1.00 0.00 C ATOM 274 CD1 ILE A 17 3.978 9.880 -5.178 1.00 0.00 C ATOM 0 H ILE A 17 3.511 9.222 -1.786 1.00 0.00 H new ATOM 0 HA ILE A 17 5.542 7.323 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 17 5.556 10.187 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.480 7.859 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.448 8.641 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.851 9.216 -5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.673 8.981 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.803 7.627 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.099 9.587 -5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.774 10.814 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.822 10.019 -5.853 1.00 0.00 H new ATOM 286 N ALA A 18 6.400 10.034 -0.408 1.00 0.00 N ATOM 287 CA ALA A 18 7.439 10.631 0.427 1.00 0.00 C ATOM 288 C ALA A 18 7.365 10.189 1.891 1.00 0.00 C ATOM 289 O ALA A 18 8.268 10.487 2.671 1.00 0.00 O ATOM 290 CB ALA A 18 7.357 12.149 0.338 1.00 0.00 C ATOM 0 H ALA A 18 5.528 10.562 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 18 8.396 10.279 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.133 12.592 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.500 12.461 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.379 12.481 0.685 1.00 0.00 H new ATOM 296 N ASN A 19 6.299 9.486 2.269 1.00 0.00 N ATOM 297 CA ASN A 19 6.138 9.048 3.658 1.00 0.00 C ATOM 298 C ASN A 19 6.066 7.528 3.791 1.00 0.00 C ATOM 299 O ASN A 19 5.522 7.011 4.768 1.00 0.00 O ATOM 300 CB ASN A 19 4.879 9.677 4.261 1.00 0.00 C ATOM 301 CG ASN A 19 5.043 11.159 4.532 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.510 11.559 5.598 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.657 11.985 3.566 1.00 0.00 N ATOM 0 H ASN A 19 5.542 9.209 1.644 1.00 0.00 H new ATOM 0 HA ASN A 19 7.022 9.380 4.202 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.040 9.526 3.582 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.631 9.166 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.743 12.993 3.693 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.275 11.611 2.697 1.00 0.00 H new ATOM 310 N LEU A 20 6.613 6.807 2.819 1.00 0.00 N ATOM 311 CA LEU A 20 6.585 5.346 2.861 1.00 0.00 C ATOM 312 C LEU A 20 7.963 4.742 2.630 1.00 0.00 C ATOM 313 O LEU A 20 8.789 5.295 1.906 1.00 0.00 O ATOM 314 CB LEU A 20 5.612 4.795 1.817 1.00 0.00 C ATOM 315 CG LEU A 20 5.240 3.320 1.983 1.00 0.00 C ATOM 316 CD1 LEU A 20 3.968 3.182 2.802 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.077 2.659 0.623 1.00 0.00 C ATOM 0 H LEU A 20 7.076 7.202 2.001 1.00 0.00 H new ATOM 0 HA LEU A 20 6.251 5.065 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.698 5.389 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.049 4.933 0.828 1.00 0.00 H new ATOM 0 HG LEU A 20 6.046 2.816 2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.718 2.127 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.120 3.622 3.788 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.152 3.698 2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.812 1.610 0.758 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.288 3.164 0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.014 2.729 0.070 1.00 0.00 H new ATOM 329 N ASP A 21 8.192 3.593 3.258 1.00 0.00 N ATOM 330 CA ASP A 21 9.449 2.869 3.125 1.00 0.00 C ATOM 331 C ASP A 21 9.167 1.428 2.702 1.00 0.00 C ATOM 332 O ASP A 21 8.885 0.576 3.542 1.00 0.00 O ATOM 333 CB ASP A 21 10.225 2.894 4.446 1.00 0.00 C ATOM 334 CG ASP A 21 10.868 4.241 4.713 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.195 5.116 5.297 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.045 4.420 4.335 1.00 0.00 O ATOM 0 H ASP A 21 7.514 3.140 3.871 1.00 0.00 H new ATOM 0 HA ASP A 21 10.059 3.353 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.550 2.648 5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.996 2.124 4.426 1.00 0.00 H new ATOM 341 N PRO A 22 9.240 1.148 1.383 1.00 0.00 N ATOM 342 CA PRO A 22 8.966 -0.189 0.815 1.00 0.00 C ATOM 343 C PRO A 22 9.846 -1.308 1.377 1.00 0.00 C ATOM 344 O PRO A 22 9.463 -2.472 1.345 1.00 0.00 O ATOM 345 CB PRO A 22 9.257 -0.008 -0.681 1.00 0.00 C ATOM 346 CG PRO A 22 9.137 1.454 -0.927 1.00 0.00 C ATOM 347 CD PRO A 22 9.594 2.122 0.334 1.00 0.00 C ATOM 0 HA PRO A 22 7.949 -0.501 1.054 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.253 -0.370 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.549 -0.569 -1.291 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.750 1.759 -1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.109 1.727 -1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.665 2.323 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.093 3.078 0.487 1.00 0.00 H new ATOM 355 N THR A 23 11.017 -0.958 1.888 1.00 0.00 N ATOM 356 CA THR A 23 11.939 -1.949 2.434 1.00 0.00 C ATOM 357 C THR A 23 11.496 -2.462 3.804 1.00 0.00 C ATOM 358 O THR A 23 11.430 -3.670 4.030 1.00 0.00 O ATOM 359 CB THR A 23 13.358 -1.363 2.561 1.00 0.00 C ATOM 360 OG1 THR A 23 13.283 -0.001 3.004 1.00 0.00 O ATOM 361 CG2 THR A 23 14.088 -1.427 1.228 1.00 0.00 C ATOM 0 H THR A 23 11.353 0.004 1.937 1.00 0.00 H new ATOM 0 HA THR A 23 11.939 -2.785 1.735 1.00 0.00 H new ATOM 0 HB THR A 23 13.912 -1.954 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.188 0.367 3.085 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.088 -1.008 1.340 1.00 0.00 H new ATOM 0 HG22 THR A 23 14.164 -2.465 0.904 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.536 -0.854 0.483 1.00 0.00 H new ATOM 369 N LYS A 24 11.174 -1.538 4.704 1.00 0.00 N ATOM 370 CA LYS A 24 10.777 -1.886 6.068 1.00 0.00 C ATOM 371 C LYS A 24 9.416 -2.584 6.145 1.00 0.00 C ATOM 372 O LYS A 24 9.188 -3.394 7.044 1.00 0.00 O ATOM 373 CB LYS A 24 10.762 -0.632 6.947 1.00 0.00 C ATOM 374 CG LYS A 24 11.205 -0.884 8.380 1.00 0.00 C ATOM 375 CD LYS A 24 11.044 0.359 9.243 1.00 0.00 C ATOM 376 CE LYS A 24 9.765 0.305 10.065 1.00 0.00 C ATOM 377 NZ LYS A 24 9.552 1.553 10.852 1.00 0.00 N ATOM 0 H LYS A 24 11.180 -0.536 4.513 1.00 0.00 H new ATOM 0 HA LYS A 24 11.519 -2.597 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.413 0.121 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.754 -0.217 6.955 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.620 -1.700 8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.248 -1.201 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.902 0.455 9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.033 1.245 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.915 0.145 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.806 -0.548 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.602 1.539 11.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.266 1.614 11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 9.639 2.378 10.225 1.00 0.00 H new ATOM 391 N ILE A 25 8.514 -2.284 5.215 1.00 0.00 N ATOM 392 CA ILE A 25 7.180 -2.889 5.242 1.00 0.00 C ATOM 393 C ILE A 25 7.109 -4.228 4.498 1.00 0.00 C ATOM 394 O ILE A 25 6.351 -5.113 4.892 1.00 0.00 O ATOM 395 CB ILE A 25 6.104 -1.936 4.670 1.00 0.00 C ATOM 396 CG1 ILE A 25 6.499 -1.434 3.282 1.00 0.00 C ATOM 397 CG2 ILE A 25 5.877 -0.761 5.611 1.00 0.00 C ATOM 398 CD1 ILE A 25 5.321 -1.248 2.355 1.00 0.00 C ATOM 0 H ILE A 25 8.675 -1.636 4.444 1.00 0.00 H new ATOM 0 HA ILE A 25 6.976 -3.077 6.296 1.00 0.00 H new ATOM 0 HB ILE A 25 5.173 -2.496 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.026 -0.485 3.383 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.197 -2.140 2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.117 -0.101 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.543 -1.131 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.809 -0.209 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.672 -0.890 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.807 -2.200 2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.633 -0.519 2.783 1.00 0.00 H new ATOM 410 N LEU A 26 7.900 -4.379 3.440 1.00 0.00 N ATOM 411 CA LEU A 26 7.881 -5.606 2.638 1.00 0.00 C ATOM 412 C LEU A 26 8.582 -6.775 3.333 1.00 0.00 C ATOM 413 O LEU A 26 8.228 -7.933 3.106 1.00 0.00 O ATOM 414 CB LEU A 26 8.528 -5.354 1.277 1.00 0.00 C ATOM 415 CG LEU A 26 7.555 -5.246 0.101 1.00 0.00 C ATOM 416 CD1 LEU A 26 6.953 -3.853 0.025 1.00 0.00 C ATOM 417 CD2 LEU A 26 8.259 -5.585 -1.200 1.00 0.00 C ATOM 0 H LEU A 26 8.561 -3.673 3.116 1.00 0.00 H new ATOM 0 HA LEU A 26 6.835 -5.884 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.108 -4.433 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.231 -6.161 1.072 1.00 0.00 H new ATOM 0 HG LEU A 26 6.748 -5.961 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.265 -3.800 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.414 -3.639 0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.748 -3.120 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.554 -5.504 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.085 -4.892 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.644 -6.603 -1.151 1.00 0.00 H new ATOM 429 N GLU A 27 9.564 -6.467 4.180 1.00 0.00 N ATOM 430 CA GLU A 27 10.329 -7.493 4.897 1.00 0.00 C ATOM 431 C GLU A 27 9.452 -8.327 5.837 1.00 0.00 C ATOM 432 O GLU A 27 9.751 -9.493 6.101 1.00 0.00 O ATOM 433 CB GLU A 27 11.456 -6.837 5.697 1.00 0.00 C ATOM 434 CG GLU A 27 12.683 -6.496 4.867 1.00 0.00 C ATOM 435 CD GLU A 27 13.789 -5.875 5.697 1.00 0.00 C ATOM 436 OE1 GLU A 27 13.774 -4.639 5.878 1.00 0.00 O ATOM 437 OE2 GLU A 27 14.671 -6.625 6.167 1.00 0.00 O ATOM 0 H GLU A 27 9.851 -5.511 4.389 1.00 0.00 H new ATOM 0 HA GLU A 27 10.742 -8.169 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.077 -5.925 6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.751 -7.506 6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.057 -7.401 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.400 -5.807 4.071 1.00 0.00 H new ATOM 444 N GLU A 28 8.373 -7.726 6.334 1.00 0.00 N ATOM 445 CA GLU A 28 7.462 -8.406 7.255 1.00 0.00 C ATOM 446 C GLU A 28 6.578 -9.425 6.537 1.00 0.00 C ATOM 447 O GLU A 28 6.265 -10.484 7.084 1.00 0.00 O ATOM 448 CB GLU A 28 6.580 -7.380 7.973 1.00 0.00 C ATOM 449 CG GLU A 28 7.306 -6.608 9.063 1.00 0.00 C ATOM 450 CD GLU A 28 7.238 -7.296 10.412 1.00 0.00 C ATOM 451 OE1 GLU A 28 7.961 -8.295 10.608 1.00 0.00 O ATOM 452 OE2 GLU A 28 6.461 -6.833 11.275 1.00 0.00 O ATOM 0 H GLU A 28 8.107 -6.766 6.114 1.00 0.00 H new ATOM 0 HA GLU A 28 8.073 -8.944 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.188 -6.675 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.724 -7.893 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.350 -6.480 8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.873 -5.611 9.146 1.00 0.00 H new ATOM 459 N LEU A 29 6.184 -9.098 5.311 1.00 0.00 N ATOM 460 CA LEU A 29 5.315 -9.966 4.520 1.00 0.00 C ATOM 461 C LEU A 29 6.084 -11.108 3.858 1.00 0.00 C ATOM 462 O LEU A 29 5.526 -12.180 3.616 1.00 0.00 O ATOM 463 CB LEU A 29 4.593 -9.139 3.456 1.00 0.00 C ATOM 464 CG LEU A 29 3.369 -8.368 3.960 1.00 0.00 C ATOM 465 CD1 LEU A 29 3.779 -7.018 4.527 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.359 -8.187 2.841 1.00 0.00 C ATOM 0 H LEU A 29 6.454 -8.234 4.840 1.00 0.00 H new ATOM 0 HA LEU A 29 4.591 -10.414 5.200 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.300 -8.429 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.280 -9.803 2.651 1.00 0.00 H new ATOM 0 HG LEU A 29 2.905 -8.948 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.894 -6.487 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.468 -7.167 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.269 -6.431 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.495 -7.637 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.817 -7.630 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.038 -9.164 2.479 1.00 0.00 H new ATOM 478 N LEU A 30 7.363 -10.874 3.568 1.00 0.00 N ATOM 479 CA LEU A 30 8.205 -11.882 2.923 1.00 0.00 C ATOM 480 C LEU A 30 8.530 -13.033 3.873 1.00 0.00 C ATOM 481 O LEU A 30 8.699 -14.175 3.443 1.00 0.00 O ATOM 482 CB LEU A 30 9.499 -11.239 2.421 1.00 0.00 C ATOM 483 CG LEU A 30 9.374 -10.483 1.098 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.351 -9.318 1.051 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.607 -11.421 -0.077 1.00 0.00 C ATOM 0 H LEU A 30 7.840 -9.995 3.769 1.00 0.00 H new ATOM 0 HA LEU A 30 7.650 -12.291 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.864 -10.550 3.183 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.254 -12.017 2.307 1.00 0.00 H new ATOM 0 HG LEU A 30 8.362 -10.085 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.246 -8.793 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.138 -8.632 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.370 -9.693 1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.514 -10.865 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.607 -11.849 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.867 -12.221 -0.056 1.00 0.00 H new ATOM 497 N ARG A 31 8.613 -12.725 5.165 1.00 0.00 N ATOM 498 CA ARG A 31 8.930 -13.727 6.180 1.00 0.00 C ATOM 499 C ARG A 31 7.725 -14.610 6.499 1.00 0.00 C ATOM 500 O ARG A 31 7.879 -15.722 7.006 1.00 0.00 O ATOM 501 CB ARG A 31 9.425 -13.042 7.451 1.00 0.00 C ATOM 502 CG ARG A 31 10.878 -12.607 7.372 1.00 0.00 C ATOM 503 CD ARG A 31 11.337 -11.963 8.667 1.00 0.00 C ATOM 504 NE ARG A 31 10.865 -10.587 8.789 1.00 0.00 N ATOM 505 CZ ARG A 31 11.433 -9.675 9.574 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.497 -9.991 10.301 1.00 0.00 N ATOM 507 NH2 ARG A 31 10.937 -8.447 9.632 1.00 0.00 N ATOM 0 H ARG A 31 8.465 -11.786 5.535 1.00 0.00 H new ATOM 0 HA ARG A 31 9.715 -14.368 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.802 -12.170 7.652 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.302 -13.722 8.294 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.506 -13.470 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.004 -11.903 6.550 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.973 -12.548 9.512 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.426 -11.979 8.714 1.00 0.00 H new ATOM 0 HE ARG A 31 10.052 -10.308 8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.881 -10.935 10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.931 -9.290 10.902 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.119 -8.200 9.075 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.373 -7.749 10.234 1.00 0.00 H new ATOM 521 N ARG A 32 6.529 -14.110 6.204 1.00 0.00 N ATOM 522 CA ARG A 32 5.303 -14.859 6.465 1.00 0.00 C ATOM 523 C ARG A 32 4.923 -15.724 5.267 1.00 0.00 C ATOM 524 O ARG A 32 4.064 -16.599 5.369 1.00 0.00 O ATOM 525 CB ARG A 32 4.162 -13.902 6.812 1.00 0.00 C ATOM 526 CG ARG A 32 4.396 -13.131 8.104 1.00 0.00 C ATOM 527 CD ARG A 32 3.104 -12.547 8.649 1.00 0.00 C ATOM 528 NE ARG A 32 3.314 -11.811 9.895 1.00 0.00 N ATOM 529 CZ ARG A 32 2.325 -11.372 10.670 1.00 0.00 C ATOM 530 NH1 ARG A 32 1.062 -11.595 10.331 1.00 0.00 N ATOM 531 NH2 ARG A 32 2.597 -10.710 11.785 1.00 0.00 N ATOM 0 H ARG A 32 6.382 -13.192 5.785 1.00 0.00 H new ATOM 0 HA ARG A 32 5.482 -15.518 7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.029 -13.194 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.235 -14.469 6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.839 -13.793 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.112 -12.328 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.666 -11.882 7.905 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.387 -13.350 8.820 1.00 0.00 H new ATOM 0 HE ARG A 32 4.273 -11.623 10.187 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.846 -12.104 9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.307 -11.257 10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.566 -10.536 12.051 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.837 -10.375 12.377 1.00 0.00 H new ATOM 545 N GLY A 33 5.577 -15.473 4.135 1.00 0.00 N ATOM 546 CA GLY A 33 5.310 -16.239 2.930 1.00 0.00 C ATOM 547 C GLY A 33 4.119 -15.720 2.144 1.00 0.00 C ATOM 548 O GLY A 33 3.476 -16.476 1.418 1.00 0.00 O ATOM 0 H GLY A 33 6.289 -14.750 4.031 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.194 -16.221 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.133 -17.280 3.200 1.00 0.00 H new ATOM 552 N LEU A 34 3.823 -14.428 2.285 1.00 0.00 N ATOM 553 CA LEU A 34 2.699 -13.821 1.576 1.00 0.00 C ATOM 554 C LEU A 34 3.142 -13.158 0.275 1.00 0.00 C ATOM 555 O LEU A 34 2.322 -12.901 -0.607 1.00 0.00 O ATOM 556 CB LEU A 34 2.003 -12.785 2.465 1.00 0.00 C ATOM 557 CG LEU A 34 0.535 -12.509 2.121 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.258 -12.206 3.382 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.424 -11.358 1.127 1.00 0.00 C ATOM 0 H LEU A 34 4.344 -13.785 2.881 1.00 0.00 H new ATOM 0 HA LEU A 34 2.001 -14.622 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.060 -13.122 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.556 -11.848 2.404 1.00 0.00 H new ATOM 0 HG LEU A 34 0.116 -13.402 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.298 -12.012 3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.207 -13.060 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.162 -11.328 3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.626 -11.177 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.860 -10.458 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.959 -11.614 0.212 1.00 0.00 H new ATOM 571 N LEU A 35 4.436 -12.915 0.131 1.00 0.00 N ATOM 572 CA LEU A 35 4.937 -12.254 -1.061 1.00 0.00 C ATOM 573 C LEU A 35 5.735 -13.221 -1.931 1.00 0.00 C ATOM 574 O LEU A 35 6.565 -13.980 -1.427 1.00 0.00 O ATOM 575 CB LEU A 35 5.816 -11.066 -0.668 1.00 0.00 C ATOM 576 CG LEU A 35 5.706 -9.843 -1.581 1.00 0.00 C ATOM 577 CD1 LEU A 35 5.919 -8.562 -0.787 1.00 0.00 C ATOM 578 CD2 LEU A 35 6.711 -9.939 -2.718 1.00 0.00 C ATOM 0 H LEU A 35 5.150 -13.163 0.816 1.00 0.00 H new ATOM 0 HA LEU A 35 4.082 -11.900 -1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.559 -10.765 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.855 -11.394 -0.650 1.00 0.00 H new ATOM 0 HG LEU A 35 4.703 -9.819 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.837 -7.703 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.163 -8.488 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.910 -8.576 -0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.620 -9.062 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.720 -9.987 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.514 -10.837 -3.303 1.00 0.00 H new ATOM 590 N THR A 36 5.476 -13.188 -3.239 1.00 0.00 N ATOM 591 CA THR A 36 6.173 -14.065 -4.177 1.00 0.00 C ATOM 592 C THR A 36 7.370 -13.359 -4.816 1.00 0.00 C ATOM 593 O THR A 36 7.400 -12.132 -4.904 1.00 0.00 O ATOM 594 CB THR A 36 5.231 -14.570 -5.292 1.00 0.00 C ATOM 595 OG1 THR A 36 4.583 -13.463 -5.926 1.00 0.00 O ATOM 596 CG2 THR A 36 4.189 -15.527 -4.729 1.00 0.00 C ATOM 0 H THR A 36 4.792 -12.566 -3.670 1.00 0.00 H new ATOM 0 HA THR A 36 6.527 -14.919 -3.599 1.00 0.00 H new ATOM 0 HB THR A 36 5.830 -15.106 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.755 -13.250 -5.447 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.537 -15.869 -5.533 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.689 -16.384 -4.277 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.594 -15.014 -3.973 1.00 0.00 H new ATOM 604 N PRO A 37 8.375 -14.131 -5.268 1.00 0.00 N ATOM 605 CA PRO A 37 9.581 -13.583 -5.906 1.00 0.00 C ATOM 606 C PRO A 37 9.286 -12.866 -7.225 1.00 0.00 C ATOM 607 O PRO A 37 10.031 -11.979 -7.627 1.00 0.00 O ATOM 608 CB PRO A 37 10.458 -14.817 -6.157 1.00 0.00 C ATOM 609 CG PRO A 37 9.886 -15.895 -5.303 1.00 0.00 C ATOM 610 CD PRO A 37 8.424 -15.597 -5.179 1.00 0.00 C ATOM 0 HA PRO A 37 10.051 -12.828 -5.276 1.00 0.00 H new ATOM 0 HB2 PRO A 37 10.443 -15.101 -7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.497 -14.619 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.047 -16.875 -5.753 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.365 -15.911 -4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.847 -16.069 -5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.018 -15.957 -4.234 1.00 0.00 H new ATOM 618 N ALA A 38 8.197 -13.257 -7.895 1.00 0.00 N ATOM 619 CA ALA A 38 7.806 -12.641 -9.162 1.00 0.00 C ATOM 620 C ALA A 38 7.344 -11.202 -8.947 1.00 0.00 C ATOM 621 O ALA A 38 7.638 -10.316 -9.750 1.00 0.00 O ATOM 622 CB ALA A 38 6.705 -13.458 -9.821 1.00 0.00 C ATOM 0 H ALA A 38 7.572 -13.998 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 38 8.675 -12.623 -9.820 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.420 -12.991 -10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.066 -14.469 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.839 -13.500 -9.161 1.00 0.00 H new ATOM 628 N GLU A 39 6.622 -10.986 -7.852 1.00 0.00 N ATOM 629 CA GLU A 39 6.125 -9.661 -7.498 1.00 0.00 C ATOM 630 C GLU A 39 7.270 -8.791 -6.989 1.00 0.00 C ATOM 631 O GLU A 39 7.367 -7.602 -7.314 1.00 0.00 O ATOM 632 CB GLU A 39 5.048 -9.785 -6.416 1.00 0.00 C ATOM 633 CG GLU A 39 3.715 -10.305 -6.929 1.00 0.00 C ATOM 634 CD GLU A 39 2.746 -10.607 -5.804 1.00 0.00 C ATOM 635 OE1 GLU A 39 2.507 -9.709 -4.968 1.00 0.00 O ATOM 636 OE2 GLU A 39 2.229 -11.745 -5.753 1.00 0.00 O ATOM 0 H GLU A 39 6.366 -11.718 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 39 5.694 -9.195 -8.384 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.409 -10.451 -5.633 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.893 -8.808 -5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.273 -9.567 -7.599 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.881 -11.209 -7.515 1.00 0.00 H new ATOM 643 N LEU A 40 8.145 -9.412 -6.202 1.00 0.00 N ATOM 644 CA LEU A 40 9.294 -8.732 -5.617 1.00 0.00 C ATOM 645 C LEU A 40 10.289 -8.282 -6.673 1.00 0.00 C ATOM 646 O LEU A 40 10.616 -7.104 -6.750 1.00 0.00 O ATOM 647 CB LEU A 40 10.000 -9.647 -4.623 1.00 0.00 C ATOM 648 CG LEU A 40 10.999 -8.941 -3.701 1.00 0.00 C ATOM 649 CD1 LEU A 40 10.267 -8.137 -2.643 1.00 0.00 C ATOM 650 CD2 LEU A 40 11.943 -9.942 -3.050 1.00 0.00 C ATOM 0 H LEU A 40 8.076 -10.399 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 40 8.915 -7.847 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.248 -10.143 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.525 -10.426 -5.176 1.00 0.00 H new ATOM 0 HG LEU A 40 11.595 -8.259 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.991 -7.642 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.639 -7.388 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.644 -8.803 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.642 -9.414 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.367 -10.655 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.497 -10.475 -3.823 1.00 0.00 H new ATOM 662 N GLN A 41 10.766 -9.231 -7.479 1.00 0.00 N ATOM 663 CA GLN A 41 11.739 -8.959 -8.525 1.00 0.00 C ATOM 664 C GLN A 41 11.293 -7.853 -9.474 1.00 0.00 C ATOM 665 O GLN A 41 12.126 -7.193 -10.087 1.00 0.00 O ATOM 666 CB GLN A 41 11.997 -10.236 -9.316 1.00 0.00 C ATOM 667 CG GLN A 41 13.454 -10.446 -9.670 1.00 0.00 C ATOM 668 CD GLN A 41 14.298 -10.855 -8.474 1.00 0.00 C ATOM 669 OE1 GLN A 41 14.330 -12.026 -8.101 1.00 0.00 O ATOM 670 NE2 GLN A 41 14.990 -9.895 -7.861 1.00 0.00 N ATOM 0 H GLN A 41 10.485 -10.210 -7.421 1.00 0.00 H new ATOM 0 HA GLN A 41 12.652 -8.614 -8.039 1.00 0.00 H new ATOM 0 HB2 GLN A 41 11.646 -11.090 -8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.409 -10.210 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 41 13.529 -11.213 -10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 41 13.856 -9.526 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.939 -8.934 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 41 15.571 -10.121 -7.054 1.00 0.00 H new ATOM 679 N GLU A 42 9.988 -7.654 -9.595 1.00 0.00 N ATOM 680 CA GLU A 42 9.465 -6.630 -10.495 1.00 0.00 C ATOM 681 C GLU A 42 9.629 -5.220 -9.922 1.00 0.00 C ATOM 682 O GLU A 42 10.275 -4.358 -10.535 1.00 0.00 O ATOM 683 CB GLU A 42 7.993 -6.905 -10.791 1.00 0.00 C ATOM 684 CG GLU A 42 7.556 -6.479 -12.182 1.00 0.00 C ATOM 685 CD GLU A 42 6.102 -6.800 -12.452 1.00 0.00 C ATOM 686 OE1 GLU A 42 5.236 -5.982 -12.079 1.00 0.00 O ATOM 687 OE2 GLU A 42 5.826 -7.872 -13.031 1.00 0.00 O ATOM 0 H GLU A 42 9.277 -8.181 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 42 10.043 -6.676 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.801 -7.971 -10.671 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.381 -6.386 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.717 -5.407 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.179 -6.977 -12.925 1.00 0.00 H new ATOM 694 N VAL A 43 9.077 -4.995 -8.731 1.00 0.00 N ATOM 695 CA VAL A 43 9.152 -3.679 -8.103 1.00 0.00 C ATOM 696 C VAL A 43 10.549 -3.406 -7.535 1.00 0.00 C ATOM 697 O VAL A 43 10.964 -2.257 -7.421 1.00 0.00 O ATOM 698 CB VAL A 43 8.063 -3.502 -7.012 1.00 0.00 C ATOM 699 CG1 VAL A 43 8.139 -4.597 -5.964 1.00 0.00 C ATOM 700 CG2 VAL A 43 8.151 -2.127 -6.361 1.00 0.00 C ATOM 0 H VAL A 43 8.578 -5.699 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 43 8.960 -2.941 -8.882 1.00 0.00 H new ATOM 0 HB VAL A 43 7.095 -3.582 -7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.361 -4.440 -5.217 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.994 -5.567 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.116 -4.572 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.375 -2.034 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.130 -2.006 -5.897 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.011 -1.356 -7.119 1.00 0.00 H new ATOM 710 N LEU A 44 11.285 -4.462 -7.213 1.00 0.00 N ATOM 711 CA LEU A 44 12.633 -4.304 -6.679 1.00 0.00 C ATOM 712 C LEU A 44 13.624 -4.007 -7.801 1.00 0.00 C ATOM 713 O LEU A 44 14.722 -3.507 -7.557 1.00 0.00 O ATOM 714 CB LEU A 44 13.064 -5.555 -5.916 1.00 0.00 C ATOM 715 CG LEU A 44 14.259 -5.364 -4.985 1.00 0.00 C ATOM 716 CD1 LEU A 44 13.796 -4.915 -3.608 1.00 0.00 C ATOM 717 CD2 LEU A 44 15.064 -6.649 -4.888 1.00 0.00 C ATOM 0 H LEU A 44 10.976 -5.429 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 44 12.625 -3.462 -5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.219 -5.913 -5.328 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.305 -6.337 -6.637 1.00 0.00 H new ATOM 0 HG LEU A 44 14.901 -4.586 -5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.661 -4.784 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 44 13.261 -3.969 -3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 44 13.134 -5.669 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.913 -6.497 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.432 -7.446 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.426 -6.927 -5.878 1.00 0.00 H new ATOM 729 N ASP A 45 13.221 -4.316 -9.034 1.00 0.00 N ATOM 730 CA ASP A 45 14.063 -4.076 -10.198 1.00 0.00 C ATOM 731 C ASP A 45 14.020 -2.611 -10.600 1.00 0.00 C ATOM 732 O ASP A 45 15.062 -2.004 -10.851 1.00 0.00 O ATOM 733 CB ASP A 45 13.616 -4.944 -11.374 1.00 0.00 C ATOM 734 CG ASP A 45 14.758 -5.280 -12.313 1.00 0.00 C ATOM 735 OD1 ASP A 45 15.478 -6.265 -12.042 1.00 0.00 O ATOM 736 OD2 ASP A 45 14.933 -4.560 -13.317 1.00 0.00 O ATOM 0 H ASP A 45 12.315 -4.733 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 45 15.086 -4.339 -9.931 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.178 -5.867 -10.994 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.834 -4.425 -11.929 1.00 0.00 H new ATOM 741 N LEU A 46 12.815 -2.036 -10.652 1.00 0.00 N ATOM 742 CA LEU A 46 12.678 -0.631 -11.034 1.00 0.00 C ATOM 743 C LEU A 46 13.271 0.288 -9.972 1.00 0.00 C ATOM 744 O LEU A 46 13.155 0.033 -8.773 1.00 0.00 O ATOM 745 CB LEU A 46 11.218 -0.239 -11.296 1.00 0.00 C ATOM 746 CG LEU A 46 10.168 -0.908 -10.405 1.00 0.00 C ATOM 747 CD1 LEU A 46 9.804 -0.003 -9.243 1.00 0.00 C ATOM 748 CD2 LEU A 46 8.927 -1.247 -11.213 1.00 0.00 C ATOM 0 H LEU A 46 11.938 -2.511 -10.439 1.00 0.00 H new ATOM 0 HA LEU A 46 13.232 -0.510 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.127 0.841 -11.181 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.983 -0.469 -12.335 1.00 0.00 H new ATOM 0 HG LEU A 46 10.591 -1.831 -10.009 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.057 -0.494 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.694 0.202 -8.649 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.399 0.934 -9.625 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.190 -1.722 -10.566 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.506 -0.334 -11.633 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.194 -1.929 -12.021 1.00 0.00 H new ATOM 760 N LYS A 47 13.911 1.354 -10.432 1.00 0.00 N ATOM 761 CA LYS A 47 14.520 2.324 -9.535 1.00 0.00 C ATOM 762 C LYS A 47 13.699 3.604 -9.517 1.00 0.00 C ATOM 763 O LYS A 47 14.133 4.627 -8.990 1.00 0.00 O ATOM 764 CB LYS A 47 15.956 2.622 -9.968 1.00 0.00 C ATOM 765 CG LYS A 47 16.926 1.496 -9.656 1.00 0.00 C ATOM 766 CD LYS A 47 17.505 1.631 -8.257 1.00 0.00 C ATOM 767 CE LYS A 47 18.506 0.526 -7.963 1.00 0.00 C ATOM 768 NZ LYS A 47 19.806 0.754 -8.654 1.00 0.00 N ATOM 0 H LYS A 47 14.022 1.569 -11.423 1.00 0.00 H new ATOM 0 HA LYS A 47 14.542 1.905 -8.529 1.00 0.00 H new ATOM 0 HB2 LYS A 47 15.971 2.818 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 47 16.296 3.532 -9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 47 16.415 0.538 -9.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 17.734 1.498 -10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.991 2.601 -8.155 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.699 1.599 -7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 47 18.673 0.464 -6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.091 -0.432 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 20.460 -0.022 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.652 0.788 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 20.215 1.656 -8.336 1.00 0.00 H new ATOM 782 N THR A 48 12.507 3.535 -10.100 1.00 0.00 N ATOM 783 CA THR A 48 11.612 4.683 -10.156 1.00 0.00 C ATOM 784 C THR A 48 10.753 4.765 -8.896 1.00 0.00 C ATOM 785 O THR A 48 9.880 3.928 -8.682 1.00 0.00 O ATOM 786 CB THR A 48 10.711 4.624 -11.407 1.00 0.00 C ATOM 787 OG1 THR A 48 10.324 3.269 -11.674 1.00 0.00 O ATOM 788 CG2 THR A 48 11.443 5.184 -12.615 1.00 0.00 C ATOM 0 H THR A 48 12.138 2.693 -10.542 1.00 0.00 H new ATOM 0 HA THR A 48 12.229 5.579 -10.217 1.00 0.00 H new ATOM 0 HB THR A 48 9.822 5.225 -11.217 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.035 2.818 -12.176 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.793 5.135 -13.489 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.718 6.221 -12.425 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.343 4.598 -12.799 1.00 0.00 H new ATOM 796 N PRO A 49 10.993 5.788 -8.053 1.00 0.00 N ATOM 797 CA PRO A 49 10.261 5.989 -6.787 1.00 0.00 C ATOM 798 C PRO A 49 8.750 6.102 -6.979 1.00 0.00 C ATOM 799 O PRO A 49 7.974 5.615 -6.156 1.00 0.00 O ATOM 800 CB PRO A 49 10.827 7.310 -6.253 1.00 0.00 C ATOM 801 CG PRO A 49 12.150 7.462 -6.920 1.00 0.00 C ATOM 802 CD PRO A 49 11.997 6.843 -8.275 1.00 0.00 C ATOM 0 HA PRO A 49 10.393 5.142 -6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.168 8.146 -6.489 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.933 7.284 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.430 8.513 -6.999 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.935 6.965 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.660 7.570 -9.014 1.00 0.00 H new ATOM 0 HD3 PRO A 49 12.939 6.432 -8.638 1.00 0.00 H new ATOM 810 N GLU A 50 8.345 6.747 -8.070 1.00 0.00 N ATOM 811 CA GLU A 50 6.930 6.920 -8.382 1.00 0.00 C ATOM 812 C GLU A 50 6.266 5.575 -8.671 1.00 0.00 C ATOM 813 O GLU A 50 5.141 5.325 -8.239 1.00 0.00 O ATOM 814 CB GLU A 50 6.766 7.846 -9.586 1.00 0.00 C ATOM 815 CG GLU A 50 7.005 9.314 -9.271 1.00 0.00 C ATOM 816 CD GLU A 50 6.775 10.202 -10.475 1.00 0.00 C ATOM 817 OE1 GLU A 50 5.617 10.619 -10.691 1.00 0.00 O ATOM 818 OE2 GLU A 50 7.749 10.477 -11.205 1.00 0.00 O ATOM 0 H GLU A 50 8.979 7.159 -8.754 1.00 0.00 H new ATOM 0 HA GLU A 50 6.444 7.366 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.458 7.535 -10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.759 7.730 -9.987 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.343 9.623 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.027 9.446 -8.914 1.00 0.00 H new ATOM 825 N GLU A 51 6.976 4.711 -9.396 1.00 0.00 N ATOM 826 CA GLU A 51 6.460 3.390 -9.747 1.00 0.00 C ATOM 827 C GLU A 51 6.444 2.461 -8.534 1.00 0.00 C ATOM 828 O GLU A 51 5.580 1.595 -8.433 1.00 0.00 O ATOM 829 CB GLU A 51 7.296 2.767 -10.869 1.00 0.00 C ATOM 830 CG GLU A 51 6.559 1.702 -11.669 1.00 0.00 C ATOM 831 CD GLU A 51 7.005 1.649 -13.119 1.00 0.00 C ATOM 832 OE1 GLU A 51 8.182 1.313 -13.366 1.00 0.00 O ATOM 833 OE2 GLU A 51 6.175 1.941 -14.004 1.00 0.00 O ATOM 0 H GLU A 51 7.912 4.904 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 51 5.435 3.518 -10.095 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.622 3.556 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.195 2.326 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.721 0.728 -11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.488 1.899 -11.629 1.00 0.00 H new ATOM 840 N GLN A 52 7.404 2.641 -7.622 1.00 0.00 N ATOM 841 CA GLN A 52 7.491 1.814 -6.415 1.00 0.00 C ATOM 842 C GLN A 52 6.237 1.965 -5.556 1.00 0.00 C ATOM 843 O GLN A 52 5.597 0.975 -5.195 1.00 0.00 O ATOM 844 CB GLN A 52 8.729 2.190 -5.592 1.00 0.00 C ATOM 845 CG GLN A 52 10.038 1.983 -6.334 1.00 0.00 C ATOM 846 CD GLN A 52 11.082 1.269 -5.504 1.00 0.00 C ATOM 847 OE1 GLN A 52 11.677 1.850 -4.598 1.00 0.00 O ATOM 848 NE2 GLN A 52 11.312 0.000 -5.813 1.00 0.00 N ATOM 0 H GLN A 52 8.132 3.352 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 52 7.575 0.774 -6.731 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.652 3.235 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.741 1.596 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.848 1.409 -7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.430 2.951 -6.646 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.794 -0.442 -6.573 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.006 -0.534 -5.291 1.00 0.00 H new ATOM 857 N ALA A 53 5.893 3.213 -5.244 1.00 0.00 N ATOM 858 CA ALA A 53 4.719 3.510 -4.434 1.00 0.00 C ATOM 859 C ALA A 53 3.438 3.078 -5.141 1.00 0.00 C ATOM 860 O ALA A 53 2.495 2.622 -4.495 1.00 0.00 O ATOM 861 CB ALA A 53 4.672 4.995 -4.107 1.00 0.00 C ATOM 0 H ALA A 53 6.415 4.037 -5.543 1.00 0.00 H new ATOM 0 HA ALA A 53 4.794 2.945 -3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.791 5.206 -3.501 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.568 5.274 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.623 5.570 -5.032 1.00 0.00 H new ATOM 867 N LYS A 54 3.423 3.209 -6.471 1.00 0.00 N ATOM 868 CA LYS A 54 2.263 2.828 -7.278 1.00 0.00 C ATOM 869 C LYS A 54 2.117 1.312 -7.359 1.00 0.00 C ATOM 870 O LYS A 54 1.011 0.797 -7.509 1.00 0.00 O ATOM 871 CB LYS A 54 2.379 3.415 -8.685 1.00 0.00 C ATOM 872 CG LYS A 54 1.999 4.884 -8.755 1.00 0.00 C ATOM 873 CD LYS A 54 2.198 5.447 -10.151 1.00 0.00 C ATOM 874 CE LYS A 54 1.891 6.936 -10.197 1.00 0.00 C ATOM 875 NZ LYS A 54 2.997 7.749 -9.618 1.00 0.00 N ATOM 0 H LYS A 54 4.205 3.578 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 54 1.374 3.230 -6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.403 3.294 -9.039 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.739 2.848 -9.362 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.957 5.005 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.601 5.450 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.226 5.276 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.553 4.919 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.719 7.240 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.970 7.134 -9.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.598 8.548 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.566 7.157 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.600 8.111 -10.384 1.00 0.00 H new ATOM 889 N LYS A 55 3.241 0.606 -7.261 1.00 0.00 N ATOM 890 CA LYS A 55 3.247 -0.851 -7.310 1.00 0.00 C ATOM 891 C LYS A 55 2.571 -1.424 -6.073 1.00 0.00 C ATOM 892 O LYS A 55 1.845 -2.412 -6.154 1.00 0.00 O ATOM 893 CB LYS A 55 4.682 -1.376 -7.424 1.00 0.00 C ATOM 894 CG LYS A 55 5.171 -1.492 -8.859 1.00 0.00 C ATOM 895 CD LYS A 55 4.653 -2.754 -9.528 1.00 0.00 C ATOM 896 CE LYS A 55 5.192 -2.893 -10.940 1.00 0.00 C ATOM 897 NZ LYS A 55 6.553 -3.494 -10.957 1.00 0.00 N ATOM 0 H LYS A 55 4.164 1.024 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 55 2.690 -1.171 -8.191 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.349 -0.712 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.742 -2.354 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.846 -0.620 -9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.261 -1.493 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.942 -3.625 -8.939 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.563 -2.733 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.514 -3.512 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.222 -1.913 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.088 -3.120 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.049 -3.255 -10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.475 -4.528 -11.041 1.00 0.00 H new ATOM 911 N LEU A 56 2.789 -0.779 -4.935 1.00 0.00 N ATOM 912 CA LEU A 56 2.203 -1.232 -3.683 1.00 0.00 C ATOM 913 C LEU A 56 0.697 -1.027 -3.651 1.00 0.00 C ATOM 914 O LEU A 56 -0.040 -1.954 -3.330 1.00 0.00 O ATOM 915 CB LEU A 56 2.838 -0.518 -2.506 1.00 0.00 C ATOM 916 CG LEU A 56 2.772 -1.287 -1.187 1.00 0.00 C ATOM 917 CD1 LEU A 56 4.059 -2.062 -0.965 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.506 -0.341 -0.026 1.00 0.00 C ATOM 0 H LEU A 56 3.366 0.058 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 56 2.400 -2.302 -3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.883 -0.315 -2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.347 0.446 -2.375 1.00 0.00 H new ATOM 0 HG LEU A 56 1.946 -1.996 -1.241 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.999 -2.605 -0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.204 -2.769 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.900 -1.369 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.463 -0.909 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.308 0.395 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.556 0.170 -0.183 1.00 0.00 H new ATOM 930 N ILE A 57 0.239 0.184 -3.973 1.00 0.00 N ATOM 931 CA ILE A 57 -1.194 0.471 -3.972 1.00 0.00 C ATOM 932 C ILE A 57 -1.917 -0.389 -4.988 1.00 0.00 C ATOM 933 O ILE A 57 -3.081 -0.739 -4.805 1.00 0.00 O ATOM 934 CB ILE A 57 -1.510 1.948 -4.277 1.00 0.00 C ATOM 935 CG1 ILE A 57 -0.455 2.566 -5.189 1.00 0.00 C ATOM 936 CG2 ILE A 57 -1.631 2.729 -2.987 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.009 3.620 -6.121 1.00 0.00 C ATOM 0 H ILE A 57 0.832 0.972 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.540 0.245 -2.963 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.463 1.991 -4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.329 3.010 -4.576 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.010 1.777 -5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.854 3.772 -3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.434 2.309 -2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.692 2.670 -2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.205 4.017 -6.740 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.773 3.176 -6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.449 4.428 -5.536 1.00 0.00 H new ATOM 949 N ASP A 58 -1.210 -0.739 -6.053 1.00 0.00 N ATOM 950 CA ASP A 58 -1.780 -1.559 -7.100 1.00 0.00 C ATOM 951 C ASP A 58 -1.827 -3.024 -6.680 1.00 0.00 C ATOM 952 O ASP A 58 -2.583 -3.808 -7.243 1.00 0.00 O ATOM 953 CB ASP A 58 -0.981 -1.412 -8.397 1.00 0.00 C ATOM 954 CG ASP A 58 -1.700 -0.566 -9.429 1.00 0.00 C ATOM 955 OD1 ASP A 58 -1.537 0.672 -9.399 1.00 0.00 O ATOM 956 OD2 ASP A 58 -2.427 -1.142 -10.268 1.00 0.00 O ATOM 0 H ASP A 58 -0.240 -0.465 -6.210 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.800 -1.216 -7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.013 -0.963 -8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.786 -2.400 -8.814 1.00 0.00 H new ATOM 961 N PHE A 59 -1.018 -3.396 -5.690 1.00 0.00 N ATOM 962 CA PHE A 59 -0.996 -4.779 -5.225 1.00 0.00 C ATOM 963 C PHE A 59 -1.916 -5.003 -4.022 1.00 0.00 C ATOM 964 O PHE A 59 -2.295 -6.137 -3.736 1.00 0.00 O ATOM 965 CB PHE A 59 0.432 -5.206 -4.883 1.00 0.00 C ATOM 966 CG PHE A 59 1.137 -5.867 -6.030 1.00 0.00 C ATOM 967 CD1 PHE A 59 0.621 -7.017 -6.605 1.00 0.00 C ATOM 968 CD2 PHE A 59 2.308 -5.333 -6.544 1.00 0.00 C ATOM 969 CE1 PHE A 59 1.259 -7.621 -7.671 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.949 -5.931 -7.611 1.00 0.00 C ATOM 971 CZ PHE A 59 2.424 -7.077 -8.174 1.00 0.00 C ATOM 0 H PHE A 59 -0.379 -2.769 -5.201 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.372 -5.396 -6.041 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.002 -4.331 -4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.407 -5.891 -4.036 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.290 -7.446 -6.215 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.724 -4.438 -6.105 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.847 -8.517 -8.110 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.859 -5.503 -8.004 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.924 -7.548 -9.007 1.00 0.00 H new ATOM 981 N ILE A 60 -2.285 -3.930 -3.324 1.00 0.00 N ATOM 982 CA ILE A 60 -3.152 -4.047 -2.150 1.00 0.00 C ATOM 983 C ILE A 60 -4.615 -3.725 -2.464 1.00 0.00 C ATOM 984 O ILE A 60 -5.523 -4.346 -1.911 1.00 0.00 O ATOM 985 CB ILE A 60 -2.671 -3.137 -0.998 1.00 0.00 C ATOM 986 CG1 ILE A 60 -2.511 -1.692 -1.475 1.00 0.00 C ATOM 987 CG2 ILE A 60 -1.358 -3.651 -0.436 1.00 0.00 C ATOM 988 CD1 ILE A 60 -2.983 -0.667 -0.471 1.00 0.00 C ATOM 0 H ILE A 60 -2.000 -2.976 -3.548 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.090 -5.090 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.425 -3.156 -0.211 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.461 -1.508 -1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.067 -1.561 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.030 -3.001 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.496 -4.663 -0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.604 -3.658 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.839 0.334 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.041 -0.824 -0.260 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.410 -0.770 0.451 1.00 0.00 H new ATOM 1000 N LEU A 61 -4.839 -2.763 -3.359 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.193 -2.355 -3.725 1.00 0.00 C ATOM 1002 C LEU A 61 -6.859 -3.365 -4.660 1.00 0.00 C ATOM 1003 O LEU A 61 -8.057 -3.271 -4.933 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.175 -0.974 -4.382 1.00 0.00 C ATOM 1005 CG LEU A 61 -7.388 -0.097 -4.071 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -7.202 0.618 -2.741 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -7.621 0.907 -5.190 1.00 0.00 C ATOM 0 H LEU A 61 -4.100 -2.253 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.778 -2.312 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.274 -0.449 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.105 -1.103 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.267 -0.738 -3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.075 1.238 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.084 -0.118 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.313 1.247 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.488 1.523 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.742 1.543 -5.297 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.799 0.375 -6.125 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.082 -4.330 -5.144 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.604 -5.340 -6.057 1.00 0.00 C ATOM 1021 C LYS A 62 -6.987 -6.624 -5.332 1.00 0.00 C ATOM 1022 O LYS A 62 -7.662 -7.484 -5.899 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.573 -5.649 -7.136 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.548 -4.620 -8.249 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.618 -5.040 -9.369 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.456 -3.936 -10.397 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.494 -4.313 -11.468 1.00 0.00 N ATOM 0 H LYS A 62 -5.092 -4.433 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.507 -4.933 -6.512 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.585 -5.706 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.784 -6.630 -7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.555 -4.483 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.228 -3.658 -7.850 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.643 -5.301 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.009 -5.935 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.425 -3.709 -10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.112 -3.027 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.411 -3.533 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.563 -4.505 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.835 -5.165 -11.957 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.557 -6.760 -4.082 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.868 -7.953 -3.306 1.00 0.00 C ATOM 1043 C LEU A 63 -8.129 -7.752 -2.473 1.00 0.00 C ATOM 1044 O LEU A 63 -8.712 -6.667 -2.456 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.694 -8.324 -2.401 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.465 -8.878 -3.126 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -3.232 -8.762 -2.245 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.691 -10.326 -3.537 1.00 0.00 C ATOM 0 H LEU A 63 -5.997 -6.065 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.046 -8.770 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.396 -7.440 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.034 -9.064 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.304 -8.287 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.367 -9.160 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.057 -7.714 -2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.387 -9.328 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.806 -10.701 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.879 -10.931 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.550 -10.385 -4.205 1.00 0.00 H new ATOM 1060 N SER A 64 -8.544 -8.809 -1.782 1.00 0.00 N ATOM 1061 CA SER A 64 -9.739 -8.766 -0.950 1.00 0.00 C ATOM 1062 C SER A 64 -9.456 -8.062 0.382 1.00 0.00 C ATOM 1063 O SER A 64 -8.299 -7.881 0.758 1.00 0.00 O ATOM 1064 CB SER A 64 -10.254 -10.191 -0.716 1.00 0.00 C ATOM 1065 OG SER A 64 -9.240 -11.026 -0.180 1.00 0.00 O ATOM 0 H SER A 64 -8.066 -9.710 -1.783 1.00 0.00 H new ATOM 0 HA SER A 64 -10.508 -8.192 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.104 -10.165 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.612 -10.609 -1.657 1.00 0.00 H new ATOM 0 HG SER A 64 -9.598 -11.927 -0.040 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.519 -7.643 1.105 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.389 -6.953 2.402 1.00 0.00 C ATOM 1073 C PRO A 65 -9.562 -7.724 3.441 1.00 0.00 C ATOM 1074 O PRO A 65 -8.963 -7.118 4.326 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.837 -6.813 2.875 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.655 -6.860 1.632 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.933 -7.786 0.702 1.00 0.00 C ATOM 0 HA PRO A 65 -9.856 -6.009 2.288 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.109 -7.619 3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.988 -5.876 3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.662 -7.222 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.757 -5.867 1.194 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -12.279 -8.814 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.084 -7.506 -0.341 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.537 -9.053 3.336 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.784 -9.888 4.275 1.00 0.00 C ATOM 1087 C ALA A 66 -7.272 -9.741 4.075 1.00 0.00 C ATOM 1088 O ALA A 66 -6.491 -9.944 5.006 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.197 -11.343 4.119 1.00 0.00 C ATOM 0 H ALA A 66 -10.029 -9.575 2.611 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.017 -9.552 5.285 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.633 -11.958 4.820 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.263 -11.443 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.991 -11.672 3.101 1.00 0.00 H new ATOM 1095 N ASP A 67 -6.873 -9.382 2.856 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.461 -9.211 2.515 1.00 0.00 C ATOM 1097 C ASP A 67 -4.886 -7.908 3.079 1.00 0.00 C ATOM 1098 O ASP A 67 -3.766 -7.888 3.593 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.290 -9.235 0.994 1.00 0.00 C ATOM 1100 CG ASP A 67 -5.293 -10.644 0.435 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -4.230 -11.299 0.464 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -6.360 -11.091 -0.035 1.00 0.00 O ATOM 0 H ASP A 67 -7.513 -9.203 2.082 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.911 -10.037 2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.094 -8.662 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.354 -8.744 0.728 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.663 -6.826 2.989 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.216 -5.516 3.469 1.00 0.00 C ATOM 1109 C VAL A 68 -5.229 -5.428 4.995 1.00 0.00 C ATOM 1110 O VAL A 68 -4.414 -4.715 5.579 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.068 -4.358 2.896 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.598 -3.977 1.501 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.547 -4.713 2.884 1.00 0.00 C ATOM 0 H VAL A 68 -6.602 -6.831 2.590 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.191 -5.411 3.113 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.935 -3.496 3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.212 -3.161 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.557 -3.658 1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.688 -4.838 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.118 -3.879 2.476 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.704 -5.597 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.880 -4.918 3.901 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.160 -6.146 5.630 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.297 -6.138 7.090 1.00 0.00 C ATOM 1125 C GLN A 69 -4.997 -6.529 7.799 1.00 0.00 C ATOM 1126 O GLN A 69 -4.689 -6.004 8.867 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.429 -7.074 7.519 1.00 0.00 C ATOM 1128 CG GLN A 69 -8.813 -6.466 7.347 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.902 -7.283 8.010 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.344 -8.301 7.478 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -10.344 -6.838 9.179 1.00 0.00 N ATOM 0 H GLN A 69 -6.834 -6.744 5.152 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.534 -5.116 7.386 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.370 -7.994 6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.288 -7.348 8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.816 -5.459 7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.033 -6.371 6.284 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.949 -5.989 9.584 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -11.079 -7.345 9.673 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.240 -7.446 7.195 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.972 -7.900 7.763 1.00 0.00 C ATOM 1142 C ALA A 70 -1.940 -6.775 7.760 1.00 0.00 C ATOM 1143 O ALA A 70 -1.164 -6.623 8.706 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.450 -9.100 6.982 1.00 0.00 C ATOM 0 H ALA A 70 -4.485 -7.890 6.310 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.145 -8.198 8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.505 -9.431 7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.176 -9.911 7.033 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.295 -8.817 5.941 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.949 -5.988 6.686 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.031 -4.862 6.530 1.00 0.00 C ATOM 1152 C ARG A 71 -1.425 -3.696 7.431 1.00 0.00 C ATOM 1153 O ARG A 71 -0.577 -2.910 7.846 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.019 -4.395 5.080 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.343 -5.363 4.125 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.114 -4.719 2.770 1.00 0.00 C ATOM 1157 NE ARG A 71 0.462 -5.643 1.799 1.00 0.00 N ATOM 1158 CZ ARG A 71 1.393 -5.299 0.909 1.00 0.00 C ATOM 1159 NH1 ARG A 71 1.844 -4.052 0.858 1.00 0.00 N ATOM 1160 NH2 ARG A 71 1.856 -6.196 0.052 1.00 0.00 N ATOM 0 H ARG A 71 -2.590 -6.112 5.902 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.036 -5.202 6.818 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.046 -4.235 4.752 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.512 -3.432 5.023 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.610 -5.687 4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.959 -6.255 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.062 -4.340 2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.548 -3.861 2.887 1.00 0.00 H new ATOM 0 HE ARG A 71 0.133 -6.609 1.801 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.478 -3.351 1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.556 -3.795 0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.500 -7.152 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 71 2.568 -5.931 -0.628 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.721 -3.579 7.714 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.226 -2.510 8.571 1.00 0.00 C ATOM 1176 C ILE A 72 -2.756 -2.723 10.012 1.00 0.00 C ATOM 1177 O ILE A 72 -2.491 -1.765 10.742 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.775 -2.437 8.529 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.253 -2.054 7.127 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.306 -1.437 9.551 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.647 -2.546 6.800 1.00 0.00 C ATOM 0 H ILE A 72 -3.440 -4.211 7.362 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.830 -1.566 8.196 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.163 -3.424 8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.229 -0.969 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.555 -2.456 6.393 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.394 -1.407 9.499 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.999 -1.741 10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.905 -0.447 9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.915 -2.235 5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.673 -3.634 6.864 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.358 -2.123 7.510 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.635 -3.995 10.394 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.199 -4.372 11.738 1.00 0.00 C ATOM 1195 C ASN A 73 -0.736 -4.001 11.985 1.00 0.00 C ATOM 1196 O ASN A 73 -0.400 -3.463 13.040 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.392 -5.875 11.950 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.757 -6.217 12.512 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -3.991 -6.103 13.715 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.669 -6.637 11.644 1.00 0.00 N ATOM 0 H ASN A 73 -2.835 -4.788 9.784 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.811 -3.818 12.450 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.255 -6.392 11.000 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.622 -6.244 12.628 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.606 -6.880 11.966 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.433 -6.717 10.655 1.00 0.00 H new ATOM 1207 N VAL A 74 0.132 -4.291 11.014 1.00 0.00 N ATOM 1208 CA VAL A 74 1.553 -3.981 11.150 1.00 0.00 C ATOM 1209 C VAL A 74 1.805 -2.484 10.998 1.00 0.00 C ATOM 1210 O VAL A 74 2.672 -1.929 11.665 1.00 0.00 O ATOM 1211 CB VAL A 74 2.436 -4.762 10.147 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.681 -6.181 10.640 1.00 0.00 C ATOM 1213 CG2 VAL A 74 1.815 -4.776 8.760 1.00 0.00 C ATOM 0 H VAL A 74 -0.123 -4.736 10.132 1.00 0.00 H new ATOM 0 HA VAL A 74 1.836 -4.297 12.154 1.00 0.00 H new ATOM 0 HB VAL A 74 3.396 -4.250 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.304 -6.714 9.921 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.187 -6.149 11.605 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.728 -6.698 10.748 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.459 -5.332 8.079 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.836 -5.253 8.805 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.704 -3.753 8.401 1.00 0.00 H new ATOM 1223 N LEU A 75 1.042 -1.837 10.116 1.00 0.00 N ATOM 1224 CA LEU A 75 1.175 -0.398 9.875 1.00 0.00 C ATOM 1225 C LEU A 75 0.956 0.402 11.155 1.00 0.00 C ATOM 1226 O LEU A 75 1.620 1.411 11.388 1.00 0.00 O ATOM 1227 CB LEU A 75 0.171 0.052 8.809 1.00 0.00 C ATOM 1228 CG LEU A 75 0.659 1.167 7.887 1.00 0.00 C ATOM 1229 CD1 LEU A 75 1.802 0.673 7.017 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.480 1.687 7.025 1.00 0.00 C ATOM 0 H LEU A 75 0.321 -2.289 9.553 1.00 0.00 H new ATOM 0 HA LEU A 75 2.190 -0.211 9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.098 -0.810 8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.739 0.386 9.308 1.00 0.00 H new ATOM 0 HG LEU A 75 1.023 1.988 8.504 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.138 1.480 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.628 0.350 7.650 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.461 -0.165 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.111 2.481 6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.876 0.874 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.271 2.079 7.665 1.00 0.00 H new ATOM 1242 N ARG A 76 0.036 -0.070 11.985 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.293 0.586 13.239 1.00 0.00 C ATOM 1244 C ARG A 76 0.851 0.501 14.255 1.00 0.00 C ATOM 1245 O ARG A 76 1.142 1.473 14.952 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.556 -0.052 13.816 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.486 0.937 14.490 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.470 1.542 13.501 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.390 2.474 14.146 1.00 0.00 N ATOM 1250 CZ ARG A 76 -5.415 3.054 13.524 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -5.646 2.800 12.243 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -6.206 3.891 14.183 1.00 0.00 N ATOM 0 H ARG A 76 -0.502 -0.918 11.806 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.461 1.644 13.036 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.096 -0.557 13.015 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.269 -0.817 14.538 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.033 0.437 15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.900 1.731 14.953 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.921 2.060 12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.038 0.745 13.021 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.239 2.694 15.131 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.038 2.159 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.431 3.245 11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.030 4.091 15.167 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.991 4.334 13.705 1.00 0.00 H new ATOM 1266 N ALA A 77 1.503 -0.656 14.330 1.00 0.00 N ATOM 1267 CA ALA A 77 2.590 -0.862 15.286 1.00 0.00 C ATOM 1268 C ALA A 77 3.958 -0.419 14.758 1.00 0.00 C ATOM 1269 O ALA A 77 4.867 -0.150 15.545 1.00 0.00 O ATOM 1270 CB ALA A 77 2.638 -2.323 15.705 1.00 0.00 C ATOM 0 H ALA A 77 1.299 -1.464 13.742 1.00 0.00 H new ATOM 0 HA ALA A 77 2.374 -0.230 16.147 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.450 -2.471 16.417 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.692 -2.599 16.171 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.807 -2.948 14.828 1.00 0.00 H new ATOM 1276 N HIS A 78 4.107 -0.334 13.437 1.00 0.00 N ATOM 1277 CA HIS A 78 5.387 0.055 12.834 1.00 0.00 C ATOM 1278 C HIS A 78 5.613 1.569 12.864 1.00 0.00 C ATOM 1279 O HIS A 78 6.703 2.041 12.536 1.00 0.00 O ATOM 1280 CB HIS A 78 5.484 -0.464 11.395 1.00 0.00 C ATOM 1281 CG HIS A 78 6.060 -1.847 11.301 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.345 -2.102 10.867 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.524 -3.055 11.600 1.00 0.00 C ATOM 1284 CE1 HIS A 78 7.572 -3.404 10.904 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.483 -4.003 11.345 1.00 0.00 N ATOM 0 H HIS A 78 3.364 -0.527 12.765 1.00 0.00 H new ATOM 0 HA HIS A 78 6.172 -0.402 13.437 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.490 -0.460 10.947 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.100 0.219 10.810 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.526 -3.238 11.971 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.492 -3.893 10.621 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.372 -5.008 11.475 1.00 0.00 H new ATOM 1294 N GLY A 79 4.591 2.328 13.253 1.00 0.00 N ATOM 1295 CA GLY A 79 4.729 3.775 13.326 1.00 0.00 C ATOM 1296 C GLY A 79 4.034 4.506 12.193 1.00 0.00 C ATOM 1297 O GLY A 79 4.026 5.736 12.157 1.00 0.00 O ATOM 0 H GLY A 79 3.673 1.970 13.518 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.323 4.123 14.276 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.788 4.032 13.318 1.00 0.00 H new ATOM 1301 N TYR A 80 3.444 3.752 11.270 1.00 0.00 N ATOM 1302 CA TYR A 80 2.743 4.340 10.130 1.00 0.00 C ATOM 1303 C TYR A 80 1.235 4.376 10.399 1.00 0.00 C ATOM 1304 O TYR A 80 0.422 3.954 9.578 1.00 0.00 O ATOM 1305 CB TYR A 80 3.063 3.549 8.858 1.00 0.00 C ATOM 1306 CG TYR A 80 4.532 3.580 8.483 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.042 4.589 7.677 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.406 2.600 8.940 1.00 0.00 C ATOM 1309 CE1 TYR A 80 6.380 4.621 7.336 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.744 2.628 8.602 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.226 3.639 7.800 1.00 0.00 C ATOM 1312 OH TYR A 80 8.557 3.667 7.464 1.00 0.00 O ATOM 0 H TYR A 80 3.437 2.732 11.288 1.00 0.00 H new ATOM 0 HA TYR A 80 3.082 5.366 9.987 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.753 2.513 8.995 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.476 3.951 8.032 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.382 5.361 7.311 1.00 0.00 H new ATOM 0 HD2 TYR A 80 5.033 1.805 9.569 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.761 5.413 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.411 1.860 8.965 1.00 0.00 H new ATOM 0 HH TYR A 80 8.690 4.274 6.706 1.00 0.00 H new ATOM 1322 N GLN A 81 0.893 4.904 11.572 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.494 5.011 12.037 1.00 0.00 C ATOM 1324 C GLN A 81 -1.315 6.011 11.223 1.00 0.00 C ATOM 1325 O GLN A 81 -2.473 5.745 10.905 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.515 5.423 13.509 1.00 0.00 C ATOM 1327 CG GLN A 81 0.013 4.355 14.450 1.00 0.00 C ATOM 1328 CD GLN A 81 0.078 4.828 15.888 1.00 0.00 C ATOM 1329 OE1 GLN A 81 1.091 5.368 16.331 1.00 0.00 O ATOM 1330 NE2 GLN A 81 -1.008 4.629 16.626 1.00 0.00 N ATOM 0 H GLN A 81 1.575 5.274 12.235 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.949 4.029 11.906 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.079 6.329 13.632 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.538 5.671 13.793 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.626 3.474 14.389 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.008 4.050 14.126 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.826 4.177 16.218 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.024 4.928 17.601 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.717 7.163 10.907 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.397 8.205 10.131 1.00 0.00 C ATOM 1341 C ALA A 82 -1.869 7.664 8.786 1.00 0.00 C ATOM 1342 O ALA A 82 -2.930 8.039 8.285 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.471 9.396 9.929 1.00 0.00 C ATOM 0 H ALA A 82 0.238 7.398 11.177 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.274 8.531 10.690 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.986 10.164 9.352 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.184 9.803 10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.422 9.076 9.392 1.00 0.00 H new ATOM 1349 N LEU A 83 -1.063 6.776 8.217 1.00 0.00 N ATOM 1350 CA LEU A 83 -1.365 6.149 6.940 1.00 0.00 C ATOM 1351 C LEU A 83 -2.469 5.101 7.085 1.00 0.00 C ATOM 1352 O LEU A 83 -3.345 4.984 6.225 1.00 0.00 O ATOM 1353 CB LEU A 83 -0.096 5.503 6.389 1.00 0.00 C ATOM 1354 CG LEU A 83 0.829 6.458 5.634 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.280 6.192 5.990 1.00 0.00 C ATOM 1356 CD2 LEU A 83 0.617 6.333 4.134 1.00 0.00 C ATOM 0 H LEU A 83 -0.181 6.471 8.630 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.722 6.913 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.458 5.059 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.379 4.689 5.722 1.00 0.00 H new ATOM 0 HG LEU A 83 0.584 7.477 5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.921 6.882 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.424 6.335 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.538 5.167 5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.284 7.020 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.832 5.312 3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.417 6.577 3.891 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.431 4.363 8.197 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.402 3.303 8.469 1.00 0.00 C ATOM 1370 C ALA A 84 -4.797 3.854 8.757 1.00 0.00 C ATOM 1371 O ALA A 84 -5.784 3.131 8.653 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.926 2.442 9.634 1.00 0.00 C ATOM 0 H ALA A 84 -1.731 4.483 8.929 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.475 2.692 7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.656 1.656 9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.965 1.991 9.385 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.816 3.062 10.524 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.871 5.132 9.117 1.00 0.00 N ATOM 1379 CA ASP A 85 -6.147 5.770 9.421 1.00 0.00 C ATOM 1380 C ASP A 85 -6.883 6.201 8.151 1.00 0.00 C ATOM 1381 O ASP A 85 -8.114 6.220 8.115 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.920 6.983 10.325 1.00 0.00 C ATOM 1383 CG ASP A 85 -7.094 7.245 11.246 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.177 6.581 12.302 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.930 8.111 10.913 1.00 0.00 O ATOM 0 H ASP A 85 -4.061 5.746 9.205 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.770 5.038 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.022 6.825 10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.742 7.864 9.708 1.00 0.00 H new ATOM 1390 N LYS A 86 -6.124 6.533 7.110 1.00 0.00 N ATOM 1391 CA LYS A 86 -6.706 6.981 5.847 1.00 0.00 C ATOM 1392 C LYS A 86 -7.249 5.817 5.016 1.00 0.00 C ATOM 1393 O LYS A 86 -8.359 5.896 4.488 1.00 0.00 O ATOM 1394 CB LYS A 86 -5.675 7.771 5.039 1.00 0.00 C ATOM 1395 CG LYS A 86 -5.397 9.154 5.606 1.00 0.00 C ATOM 1396 CD LYS A 86 -4.365 9.900 4.776 1.00 0.00 C ATOM 1397 CE LYS A 86 -4.046 11.261 5.376 1.00 0.00 C ATOM 1398 NZ LYS A 86 -5.120 12.256 5.104 1.00 0.00 N ATOM 0 H LYS A 86 -5.105 6.500 7.116 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.549 7.628 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.743 7.207 5.002 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.028 7.871 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.323 9.728 5.638 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.043 9.063 6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.453 9.307 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -4.737 10.027 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.910 11.160 6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.103 11.625 4.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.863 13.169 5.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.233 12.373 4.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.015 11.922 5.515 1.00 0.00 H new ATOM 1412 N LEU A 87 -6.470 4.742 4.900 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.892 3.581 4.114 1.00 0.00 C ATOM 1414 C LEU A 87 -7.982 2.771 4.822 1.00 0.00 C ATOM 1415 O LEU A 87 -8.766 2.084 4.167 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.694 2.681 3.771 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.737 2.370 4.927 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -5.099 1.048 5.581 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -3.300 2.334 4.430 1.00 0.00 C ATOM 0 H LEU A 87 -5.552 4.650 5.335 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.317 3.965 3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.074 1.739 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.125 3.156 2.972 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.831 3.161 5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.408 0.845 6.399 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.116 1.101 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.033 0.248 4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.632 2.112 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.198 1.562 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.038 3.302 4.003 1.00 0.00 H new ATOM 1431 N ASN A 88 -8.029 2.848 6.155 1.00 0.00 N ATOM 1432 CA ASN A 88 -9.029 2.118 6.934 1.00 0.00 C ATOM 1433 C ASN A 88 -10.429 2.684 6.717 1.00 0.00 C ATOM 1434 O ASN A 88 -11.410 1.941 6.702 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.686 2.159 8.423 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.212 0.951 9.172 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -10.319 0.971 9.709 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -8.418 -0.110 9.213 1.00 0.00 N ATOM 0 H ASN A 88 -7.386 3.408 6.715 1.00 0.00 H new ATOM 0 HA ASN A 88 -9.018 1.084 6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.604 2.214 8.542 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.101 3.065 8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.718 -0.953 9.704 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.508 -0.084 8.754 1.00 0.00 H new ATOM 1445 N LYS A 89 -10.515 4.001 6.548 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.799 4.656 6.335 1.00 0.00 C ATOM 1447 C LYS A 89 -12.349 4.327 4.953 1.00 0.00 C ATOM 1448 O LYS A 89 -13.555 4.144 4.783 1.00 0.00 O ATOM 1449 CB LYS A 89 -11.660 6.169 6.504 1.00 0.00 C ATOM 1450 CG LYS A 89 -12.925 6.836 7.010 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.730 8.326 7.219 1.00 0.00 C ATOM 1452 CE LYS A 89 -14.028 8.998 7.628 1.00 0.00 C ATOM 1453 NZ LYS A 89 -13.849 10.456 7.871 1.00 0.00 N ATOM 0 H LYS A 89 -9.713 4.632 6.555 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.500 4.284 7.082 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.846 6.377 7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.383 6.610 5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.733 6.671 6.297 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.229 6.374 7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.974 8.492 7.986 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.357 8.779 6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.775 8.850 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.412 8.524 8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -14.759 10.876 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.156 10.598 8.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -13.507 10.913 7.002 1.00 0.00 H new ATOM 1467 N TYR A 90 -11.454 4.251 3.971 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.831 3.921 2.602 1.00 0.00 C ATOM 1469 C TYR A 90 -12.254 2.457 2.515 1.00 0.00 C ATOM 1470 O TYR A 90 -13.049 2.071 1.659 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.652 4.180 1.664 1.00 0.00 C ATOM 1472 CG TYR A 90 -11.053 4.470 0.237 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -11.197 3.442 -0.683 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -11.287 5.771 -0.189 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -11.558 3.700 -1.990 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -11.649 6.038 -1.495 1.00 0.00 C ATOM 1477 CZ TYR A 90 -11.786 4.998 -2.390 1.00 0.00 C ATOM 1478 OH TYR A 90 -12.144 5.259 -3.689 1.00 0.00 O ATOM 0 H TYR A 90 -10.456 4.415 4.101 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.670 4.549 2.303 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.075 5.022 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.994 3.311 1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.024 2.423 -0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.184 6.586 0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.661 2.888 -2.695 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -11.824 7.055 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 90 -12.269 6.224 -3.806 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.710 1.658 3.426 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.988 0.231 3.494 1.00 0.00 C ATOM 1490 C LEU A 91 -13.438 -0.047 3.897 1.00 0.00 C ATOM 1491 O LEU A 91 -14.067 -0.971 3.383 1.00 0.00 O ATOM 1492 CB LEU A 91 -11.031 -0.412 4.496 1.00 0.00 C ATOM 1493 CG LEU A 91 -11.299 -1.878 4.819 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -10.527 -2.779 3.868 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -10.923 -2.165 6.264 1.00 0.00 C ATOM 0 H LEU A 91 -11.061 1.985 4.141 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.840 -0.198 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -10.016 -0.324 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -11.069 0.158 5.424 1.00 0.00 H new ATOM 0 HG LEU A 91 -12.362 -2.084 4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.728 -3.822 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -10.839 -2.578 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.459 -2.583 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.117 -3.214 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.865 -1.951 6.414 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.518 -1.536 6.926 1.00 0.00 H new ATOM 1507 N THR A 92 -13.961 0.757 4.819 1.00 0.00 N ATOM 1508 CA THR A 92 -15.333 0.591 5.291 1.00 0.00 C ATOM 1509 C THR A 92 -16.276 1.618 4.662 1.00 0.00 C ATOM 1510 O THR A 92 -17.401 1.809 5.128 1.00 0.00 O ATOM 1511 CB THR A 92 -15.422 0.692 6.828 1.00 0.00 C ATOM 1512 OG1 THR A 92 -14.204 0.223 7.423 1.00 0.00 O ATOM 1513 CG2 THR A 92 -16.597 -0.125 7.353 1.00 0.00 C ATOM 0 H THR A 92 -13.456 1.529 5.254 1.00 0.00 H new ATOM 0 HA THR A 92 -15.644 -0.407 4.984 1.00 0.00 H new ATOM 0 HB THR A 92 -15.575 1.738 7.095 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.269 0.292 8.398 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.642 -0.041 8.439 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.524 0.252 6.921 1.00 0.00 H new ATOM 0 HG23 THR A 92 -16.466 -1.171 7.075 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.805 2.283 3.604 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.599 3.293 2.904 1.00 0.00 C ATOM 1523 C LEU A 93 -17.952 2.732 2.462 1.00 0.00 C ATOM 1524 O LEU A 93 -18.968 3.424 2.525 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.838 3.821 1.688 1.00 0.00 C ATOM 1526 CG LEU A 93 -16.220 5.237 1.253 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.448 6.268 2.059 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -15.968 5.425 -0.232 1.00 0.00 C ATOM 0 H LEU A 93 -14.874 2.138 3.213 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.779 4.112 3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.771 3.800 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -16.004 3.142 0.851 1.00 0.00 H new ATOM 0 HG LEU A 93 -17.284 5.379 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.732 7.270 1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.678 6.149 3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.379 6.126 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.246 6.438 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -14.911 5.263 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.566 4.709 -0.796 1.00 0.00 H new