USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.235 K(o=-0.23,f=-0.83) USER MOD Set 2.1: A 33 ASN : amide:sc= 0.563 K(o=1.3,f=-2.1) USER MOD Set 2.2: A 35 LYS NZ :NH3+ 179:sc= 0.723 (180deg=-0.00187) USER MOD Set 3.1: A 28 MET CE :methyl 158:sc= 0 (180deg=-0.0383) USER MOD Set 3.2: A 75 HIS : no HD1:sc=-0.000414 X(o=-0.00041,f=-0.0022) USER MOD Single : A 7 THR OG1 : rot -19:sc= 0.47 USER MOD Single : A 8 ASN : amide:sc= 0.307 K(o=0.31,f=-4.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00538 USER MOD Single : A 13 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 14 MET CE :methyl -174:sc=-0.00128 (180deg=-0.078) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.456 USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.15) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.06) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.0893 USER MOD Single : A 62 LYS NZ :NH3+ 154:sc= 2.43 (180deg=0.348) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.967 10.305 -2.180 1.00 0.00 N ATOM 102 CA THR A 7 6.818 10.523 -3.615 1.00 0.00 C ATOM 103 C THR A 7 6.076 9.322 -4.232 1.00 0.00 C ATOM 104 O THR A 7 6.078 8.222 -3.673 1.00 0.00 O ATOM 105 CB THR A 7 8.219 10.720 -4.258 1.00 0.00 C ATOM 106 OG1 THR A 7 9.178 9.859 -3.650 1.00 0.00 O ATOM 107 CG2 THR A 7 8.752 12.163 -4.157 1.00 0.00 C ATOM 0 HA THR A 7 6.233 11.423 -3.805 1.00 0.00 H new ATOM 0 HB THR A 7 8.083 10.481 -5.313 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.843 9.560 -2.779 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.734 12.222 -4.627 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.065 12.841 -4.664 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.835 12.448 -3.108 1.00 0.00 H new ATOM 115 N ASN A 8 5.450 9.526 -5.393 1.00 0.00 N ATOM 116 CA ASN A 8 4.873 8.479 -6.248 1.00 0.00 C ATOM 117 C ASN A 8 5.504 8.696 -7.609 1.00 0.00 C ATOM 118 O ASN A 8 5.530 9.840 -8.071 1.00 0.00 O ATOM 119 CB ASN A 8 3.344 8.600 -6.368 1.00 0.00 C ATOM 120 CG ASN A 8 2.593 8.421 -5.059 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.020 9.371 -4.537 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.575 7.231 -4.488 1.00 0.00 N ATOM 0 H ASN A 8 5.325 10.461 -5.781 1.00 0.00 H new ATOM 0 HA ASN A 8 5.069 7.491 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.101 9.579 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.988 7.856 -7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.082 7.096 -3.605 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.054 6.446 -4.929 1.00 0.00 H new ATOM 129 N THR A 9 6.000 7.637 -8.240 1.00 0.00 N ATOM 130 CA THR A 9 6.539 7.709 -9.588 1.00 0.00 C ATOM 131 C THR A 9 5.616 6.922 -10.510 1.00 0.00 C ATOM 132 O THR A 9 5.121 5.857 -10.141 1.00 0.00 O ATOM 133 CB THR A 9 8.000 7.225 -9.626 1.00 0.00 C ATOM 134 OG1 THR A 9 8.794 7.983 -8.729 1.00 0.00 O ATOM 135 CG2 THR A 9 8.610 7.282 -11.036 1.00 0.00 C ATOM 0 H THR A 9 6.038 6.705 -7.828 1.00 0.00 H new ATOM 0 HA THR A 9 6.571 8.741 -9.937 1.00 0.00 H new ATOM 0 HB THR A 9 7.991 6.179 -9.319 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.720 7.664 -8.762 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.641 6.929 -11.001 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.032 6.648 -11.708 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.590 8.309 -11.400 1.00 0.00 H new ATOM 143 N TRP A 10 5.436 7.424 -11.726 1.00 0.00 N ATOM 144 CA TRP A 10 4.755 6.760 -12.820 1.00 0.00 C ATOM 145 C TRP A 10 5.618 6.899 -14.057 1.00 0.00 C ATOM 146 O TRP A 10 6.499 7.758 -14.127 1.00 0.00 O ATOM 147 CB TRP A 10 3.377 7.394 -13.034 1.00 0.00 C ATOM 148 CG TRP A 10 2.449 7.304 -11.871 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.627 6.271 -11.624 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.184 8.271 -10.816 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.882 6.514 -10.489 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.164 7.756 -9.962 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.675 9.556 -10.530 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.641 8.496 -8.892 1.00 0.00 C ATOM 155 CZ3 TRP A 10 2.126 10.326 -9.490 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.108 9.804 -8.671 1.00 0.00 C ATOM 0 H TRP A 10 5.779 8.349 -11.983 1.00 0.00 H new ATOM 0 HA TRP A 10 4.602 5.704 -12.599 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.514 8.445 -13.288 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.905 6.917 -13.893 1.00 0.00 H new ATOM 0 HD1 TRP A 10 1.559 5.378 -12.228 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.209 5.859 -10.091 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.487 9.958 -11.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.111 8.067 -8.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.489 11.328 -9.318 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.688 10.404 -7.877 1.00 0.00 H new ATOM 167 N VAL A 11 5.347 6.064 -15.046 1.00 0.00 N ATOM 168 CA VAL A 11 5.957 6.132 -16.354 1.00 0.00 C ATOM 169 C VAL A 11 4.826 6.115 -17.377 1.00 0.00 C ATOM 170 O VAL A 11 3.884 5.330 -17.243 1.00 0.00 O ATOM 171 CB VAL A 11 6.980 5.016 -16.538 1.00 0.00 C ATOM 172 CG1 VAL A 11 7.793 5.235 -17.827 1.00 0.00 C ATOM 173 CG2 VAL A 11 7.920 4.868 -15.329 1.00 0.00 C ATOM 0 H VAL A 11 4.677 5.300 -14.954 1.00 0.00 H new ATOM 0 HA VAL A 11 6.530 7.050 -16.486 1.00 0.00 H new ATOM 0 HB VAL A 11 6.419 4.085 -16.621 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.518 4.429 -17.941 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.120 5.243 -18.685 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.317 6.189 -17.769 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.627 4.059 -15.515 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.466 5.799 -15.176 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.334 4.640 -14.438 1.00 0.00 H new ATOM 183 N LEU A 12 4.908 6.987 -18.381 1.00 0.00 N ATOM 184 CA LEU A 12 3.929 7.096 -19.449 1.00 0.00 C ATOM 185 C LEU A 12 4.635 6.805 -20.754 1.00 0.00 C ATOM 186 O LEU A 12 5.530 7.552 -21.139 1.00 0.00 O ATOM 187 CB LEU A 12 3.313 8.503 -19.487 1.00 0.00 C ATOM 188 CG LEU A 12 2.589 8.928 -18.209 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.122 10.380 -18.377 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.409 7.987 -17.946 1.00 0.00 C ATOM 0 H LEU A 12 5.677 7.651 -18.472 1.00 0.00 H new ATOM 0 HA LEU A 12 3.119 6.386 -19.282 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.104 9.224 -19.695 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.610 8.553 -20.318 1.00 0.00 H new ATOM 0 HG LEU A 12 3.257 8.868 -17.350 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.603 10.702 -17.474 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.986 11.023 -18.547 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.445 10.448 -19.229 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.896 8.293 -17.034 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.715 8.030 -18.785 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.776 6.967 -17.831 1.00 0.00 H new ATOM 202 N HIS A 13 4.219 5.749 -21.441 1.00 0.00 N ATOM 203 CA HIS A 13 4.662 5.489 -22.796 1.00 0.00 C ATOM 204 C HIS A 13 3.695 6.222 -23.728 1.00 0.00 C ATOM 205 O HIS A 13 2.504 5.891 -23.745 1.00 0.00 O ATOM 206 CB HIS A 13 4.730 3.978 -23.054 1.00 0.00 C ATOM 207 CG HIS A 13 5.293 3.598 -24.404 1.00 0.00 C ATOM 208 ND1 HIS A 13 6.217 4.303 -25.151 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.025 2.443 -25.091 1.00 0.00 C ATOM 210 CE1 HIS A 13 6.502 3.583 -26.249 1.00 0.00 C ATOM 211 NE2 HIS A 13 5.794 2.438 -26.264 1.00 0.00 N ATOM 0 H HIS A 13 3.569 5.055 -21.073 1.00 0.00 H new ATOM 0 HA HIS A 13 5.672 5.858 -22.974 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.340 3.517 -22.277 1.00 0.00 H new ATOM 0 HB3 HIS A 13 3.727 3.561 -22.962 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.614 5.212 -24.911 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.339 1.669 -24.782 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.203 3.882 -27.014 1.00 0.00 H new ATOM 219 N MET A 14 4.174 7.238 -24.455 1.00 0.00 N ATOM 220 CA MET A 14 3.366 8.085 -25.317 1.00 0.00 C ATOM 221 C MET A 14 4.211 8.494 -26.521 1.00 0.00 C ATOM 222 O MET A 14 5.382 8.831 -26.355 1.00 0.00 O ATOM 223 CB MET A 14 2.873 9.341 -24.571 1.00 0.00 C ATOM 224 CG MET A 14 2.047 9.029 -23.315 1.00 0.00 C ATOM 225 SD MET A 14 1.281 10.446 -22.474 1.00 0.00 S ATOM 226 CE MET A 14 2.732 11.464 -22.093 1.00 0.00 C ATOM 0 H MET A 14 5.161 7.494 -24.455 1.00 0.00 H new ATOM 0 HA MET A 14 2.486 7.528 -25.638 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.734 9.946 -24.288 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.270 9.943 -25.251 1.00 0.00 H new ATOM 0 HG2 MET A 14 1.258 8.329 -23.591 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.692 8.517 -22.601 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.429 12.315 -21.483 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.462 10.867 -21.546 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.178 11.823 -23.020 1.00 0.00 H new ATOM 236 N ASP A 15 3.629 8.467 -27.723 1.00 0.00 N ATOM 237 CA ASP A 15 4.256 8.901 -28.982 1.00 0.00 C ATOM 238 C ASP A 15 5.660 8.302 -29.200 1.00 0.00 C ATOM 239 O ASP A 15 6.583 8.960 -29.689 1.00 0.00 O ATOM 240 CB ASP A 15 4.198 10.432 -29.112 1.00 0.00 C ATOM 241 CG ASP A 15 4.597 10.918 -30.521 1.00 0.00 C ATOM 242 OD1 ASP A 15 4.147 10.315 -31.526 1.00 0.00 O ATOM 243 OD2 ASP A 15 5.306 11.948 -30.636 1.00 0.00 O ATOM 0 H ASP A 15 2.675 8.131 -27.855 1.00 0.00 H new ATOM 0 HA ASP A 15 3.671 8.492 -29.806 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.189 10.775 -28.884 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.862 10.882 -28.374 1.00 0.00 H new ATOM 248 N GLY A 16 5.833 7.030 -28.813 1.00 0.00 N ATOM 249 CA GLY A 16 7.080 6.285 -28.970 1.00 0.00 C ATOM 250 C GLY A 16 8.156 6.631 -27.927 1.00 0.00 C ATOM 251 O GLY A 16 9.227 6.023 -27.946 1.00 0.00 O ATOM 0 H GLY A 16 5.092 6.484 -28.374 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.863 5.218 -28.912 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.481 6.475 -29.966 1.00 0.00 H new ATOM 255 N GLU A 17 7.886 7.563 -27.011 1.00 0.00 N ATOM 256 CA GLU A 17 8.757 7.971 -25.924 1.00 0.00 C ATOM 257 C GLU A 17 8.242 7.409 -24.598 1.00 0.00 C ATOM 258 O GLU A 17 7.111 6.925 -24.510 1.00 0.00 O ATOM 259 CB GLU A 17 8.905 9.505 -25.892 1.00 0.00 C ATOM 260 CG GLU A 17 9.863 9.988 -26.989 1.00 0.00 C ATOM 261 CD GLU A 17 10.096 11.508 -26.909 1.00 0.00 C ATOM 262 OE1 GLU A 17 11.027 11.946 -26.185 1.00 0.00 O ATOM 263 OE2 GLU A 17 9.380 12.279 -27.595 1.00 0.00 O ATOM 0 H GLU A 17 7.005 8.077 -27.014 1.00 0.00 H new ATOM 0 HA GLU A 17 9.753 7.560 -26.088 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.929 9.971 -26.026 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.277 9.818 -24.916 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.816 9.468 -26.895 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.455 9.733 -27.967 1.00 0.00 H new ATOM 270 N ASN A 18 9.080 7.454 -23.562 1.00 0.00 N ATOM 271 CA ASN A 18 8.727 7.111 -22.191 1.00 0.00 C ATOM 272 C ASN A 18 9.028 8.325 -21.322 1.00 0.00 C ATOM 273 O ASN A 18 10.172 8.783 -21.270 1.00 0.00 O ATOM 274 CB ASN A 18 9.474 5.861 -21.699 1.00 0.00 C ATOM 275 CG ASN A 18 8.727 4.585 -22.070 1.00 0.00 C ATOM 276 OD1 ASN A 18 7.886 4.111 -21.311 1.00 0.00 O ATOM 277 ND2 ASN A 18 8.982 4.026 -23.244 1.00 0.00 N ATOM 0 H ASN A 18 10.054 7.740 -23.661 1.00 0.00 H new ATOM 0 HA ASN A 18 7.668 6.860 -22.133 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.474 5.838 -22.133 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.597 5.911 -20.617 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.476 3.188 -23.530 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.684 4.434 -23.861 1.00 0.00 H new ATOM 284 N PHE A 19 8.002 8.832 -20.643 1.00 0.00 N ATOM 285 CA PHE A 19 8.077 10.007 -19.780 1.00 0.00 C ATOM 286 C PHE A 19 7.942 9.548 -18.334 1.00 0.00 C ATOM 287 O PHE A 19 6.928 8.947 -17.982 1.00 0.00 O ATOM 288 CB PHE A 19 6.942 10.990 -20.137 1.00 0.00 C ATOM 289 CG PHE A 19 6.978 11.501 -21.562 1.00 0.00 C ATOM 290 CD1 PHE A 19 6.361 10.762 -22.592 1.00 0.00 C ATOM 291 CD2 PHE A 19 7.639 12.705 -21.865 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.438 11.213 -23.919 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.714 13.155 -23.197 1.00 0.00 C ATOM 294 CZ PHE A 19 7.123 12.399 -24.225 1.00 0.00 C ATOM 0 H PHE A 19 7.068 8.424 -20.680 1.00 0.00 H new ATOM 0 HA PHE A 19 9.030 10.518 -19.918 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.985 10.498 -19.965 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.989 11.841 -19.458 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.830 9.850 -22.360 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.090 13.286 -21.074 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.968 10.645 -24.708 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.224 14.078 -23.429 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.196 12.731 -25.250 1.00 0.00 H new ATOM 304 N ARG A 20 8.931 9.819 -17.481 1.00 0.00 N ATOM 305 CA ARG A 20 8.778 9.624 -16.046 1.00 0.00 C ATOM 306 C ARG A 20 7.978 10.777 -15.476 1.00 0.00 C ATOM 307 O ARG A 20 8.121 11.916 -15.919 1.00 0.00 O ATOM 308 CB ARG A 20 10.128 9.440 -15.338 1.00 0.00 C ATOM 309 CG ARG A 20 10.660 8.024 -15.616 1.00 0.00 C ATOM 310 CD ARG A 20 11.170 7.346 -14.344 1.00 0.00 C ATOM 311 NE ARG A 20 12.325 8.051 -13.749 1.00 0.00 N ATOM 312 CZ ARG A 20 13.617 7.914 -14.087 1.00 0.00 C ATOM 313 NH1 ARG A 20 13.983 7.085 -15.063 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.544 8.615 -13.442 1.00 0.00 N ATOM 0 H ARG A 20 9.845 10.174 -17.763 1.00 0.00 H new ATOM 0 HA ARG A 20 8.233 8.697 -15.869 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.841 10.185 -15.691 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.013 9.593 -14.265 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.868 7.419 -16.057 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.466 8.076 -16.348 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.363 7.298 -13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.454 6.319 -14.573 1.00 0.00 H new ATOM 0 HE ARG A 20 12.118 8.713 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.278 6.544 -15.564 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.968 6.991 -15.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.272 9.253 -12.694 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.527 8.515 -13.695 1.00 0.00 H new ATOM 328 N ILE A 21 7.172 10.465 -14.480 1.00 0.00 N ATOM 329 CA ILE A 21 6.385 11.395 -13.692 1.00 0.00 C ATOM 330 C ILE A 21 6.776 11.104 -12.259 1.00 0.00 C ATOM 331 O ILE A 21 6.757 9.936 -11.883 1.00 0.00 O ATOM 332 CB ILE A 21 4.871 11.172 -13.874 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.458 11.180 -15.355 1.00 0.00 C ATOM 334 CG2 ILE A 21 4.010 12.124 -13.011 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.609 12.503 -16.104 1.00 0.00 C ATOM 0 H ILE A 21 7.041 9.499 -14.181 1.00 0.00 H new ATOM 0 HA ILE A 21 6.576 12.425 -13.993 1.00 0.00 H new ATOM 0 HB ILE A 21 4.665 10.170 -13.498 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.047 10.425 -15.876 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.415 10.870 -15.419 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.954 11.917 -13.184 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.242 11.970 -11.957 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.226 13.157 -13.283 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.285 12.375 -17.137 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.996 13.265 -15.623 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.654 12.813 -16.087 1.00 0.00 H new ATOM 347 N VAL A 22 7.070 12.107 -11.447 1.00 0.00 N ATOM 348 CA VAL A 22 7.236 11.944 -10.019 1.00 0.00 C ATOM 349 C VAL A 22 6.421 13.048 -9.366 1.00 0.00 C ATOM 350 O VAL A 22 6.652 14.228 -9.616 1.00 0.00 O ATOM 351 CB VAL A 22 8.722 11.954 -9.608 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.867 11.586 -8.122 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.578 10.975 -10.421 1.00 0.00 C ATOM 0 H VAL A 22 7.201 13.066 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 22 6.876 10.971 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 22 9.078 12.966 -9.802 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.921 11.597 -7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.325 12.310 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.458 10.590 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.613 11.030 -10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.204 9.961 -10.280 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.526 11.237 -11.478 1.00 0.00 H new ATOM 363 N LEU A 23 5.453 12.667 -8.543 1.00 0.00 N ATOM 364 CA LEU A 23 4.740 13.594 -7.677 1.00 0.00 C ATOM 365 C LEU A 23 5.564 13.723 -6.409 1.00 0.00 C ATOM 366 O LEU A 23 5.808 12.721 -5.736 1.00 0.00 O ATOM 367 CB LEU A 23 3.335 13.048 -7.379 1.00 0.00 C ATOM 368 CG LEU A 23 2.664 13.627 -6.108 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.319 15.115 -6.229 1.00 0.00 C ATOM 370 CD2 LEU A 23 1.395 12.839 -5.782 1.00 0.00 C ATOM 0 H LEU A 23 5.139 11.700 -8.458 1.00 0.00 H new ATOM 0 HA LEU A 23 4.612 14.570 -8.144 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.693 13.252 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.396 11.964 -7.278 1.00 0.00 H new ATOM 0 HG LEU A 23 3.393 13.531 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.852 15.457 -5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.230 15.686 -6.408 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.629 15.262 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.930 13.253 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.699 12.908 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.650 11.794 -5.608 1.00 0.00 H new ATOM 382 N GLU A 24 5.965 14.942 -6.074 1.00 0.00 N ATOM 383 CA GLU A 24 6.559 15.307 -4.811 1.00 0.00 C ATOM 384 C GLU A 24 5.417 15.677 -3.873 1.00 0.00 C ATOM 385 O GLU A 24 4.725 16.673 -4.103 1.00 0.00 O ATOM 386 CB GLU A 24 7.543 16.464 -5.065 1.00 0.00 C ATOM 387 CG GLU A 24 8.932 16.103 -4.559 1.00 0.00 C ATOM 388 CD GLU A 24 9.072 16.096 -3.024 1.00 0.00 C ATOM 389 OE1 GLU A 24 8.077 15.849 -2.303 1.00 0.00 O ATOM 390 OE2 GLU A 24 10.205 16.346 -2.552 1.00 0.00 O ATOM 0 H GLU A 24 5.877 15.734 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 24 7.128 14.500 -4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.584 16.687 -6.131 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.190 17.366 -4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.199 15.117 -4.940 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.651 16.810 -4.973 1.00 0.00 H new ATOM 397 N LYS A 25 5.178 14.874 -2.832 1.00 0.00 N ATOM 398 CA LYS A 25 4.035 15.094 -1.945 1.00 0.00 C ATOM 399 C LYS A 25 4.248 16.313 -1.047 1.00 0.00 C ATOM 400 O LYS A 25 3.263 16.864 -0.557 1.00 0.00 O ATOM 401 CB LYS A 25 3.759 13.855 -1.085 1.00 0.00 C ATOM 402 CG LYS A 25 3.255 12.657 -1.903 1.00 0.00 C ATOM 403 CD LYS A 25 3.068 11.453 -0.970 1.00 0.00 C ATOM 404 CE LYS A 25 2.201 10.365 -1.625 1.00 0.00 C ATOM 405 NZ LYS A 25 1.820 9.282 -0.669 1.00 0.00 N ATOM 0 H LYS A 25 5.757 14.071 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 25 3.169 15.283 -2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.672 13.572 -0.562 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.020 14.105 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.312 12.905 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.967 12.414 -2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.042 11.037 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.603 11.780 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.298 10.821 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.743 9.930 -2.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.237 8.575 -1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.679 8.827 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.278 9.690 0.120 1.00 0.00 H new ATOM 419 N ASP A 26 5.495 16.750 -0.836 1.00 0.00 N ATOM 420 CA ASP A 26 5.797 17.849 0.082 1.00 0.00 C ATOM 421 C ASP A 26 5.148 19.159 -0.374 1.00 0.00 C ATOM 422 O ASP A 26 4.672 19.934 0.459 1.00 0.00 O ATOM 423 CB ASP A 26 7.309 18.043 0.195 1.00 0.00 C ATOM 424 CG ASP A 26 7.645 19.200 1.152 1.00 0.00 C ATOM 425 OD1 ASP A 26 7.481 19.035 2.385 1.00 0.00 O ATOM 426 OD2 ASP A 26 8.118 20.261 0.678 1.00 0.00 O ATOM 0 H ASP A 26 6.316 16.354 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 26 5.386 17.584 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.772 17.123 0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.728 18.248 -0.790 1.00 0.00 H new ATOM 431 N ALA A 27 5.087 19.381 -1.696 1.00 0.00 N ATOM 432 CA ALA A 27 4.492 20.551 -2.321 1.00 0.00 C ATOM 433 C ALA A 27 3.347 20.207 -3.290 1.00 0.00 C ATOM 434 O ALA A 27 2.756 21.118 -3.872 1.00 0.00 O ATOM 435 CB ALA A 27 5.598 21.354 -3.017 1.00 0.00 C ATOM 0 H ALA A 27 5.467 18.721 -2.375 1.00 0.00 H new ATOM 0 HA ALA A 27 4.030 21.155 -1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.165 22.235 -3.490 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.340 21.665 -2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.076 20.733 -3.775 1.00 0.00 H new ATOM 441 N MET A 28 3.034 18.914 -3.474 1.00 0.00 N ATOM 442 CA MET A 28 2.139 18.414 -4.516 1.00 0.00 C ATOM 443 C MET A 28 2.576 18.929 -5.897 1.00 0.00 C ATOM 444 O MET A 28 1.751 19.308 -6.733 1.00 0.00 O ATOM 445 CB MET A 28 0.650 18.613 -4.181 1.00 0.00 C ATOM 446 CG MET A 28 0.263 17.884 -2.888 1.00 0.00 C ATOM 447 SD MET A 28 -1.523 17.761 -2.572 1.00 0.00 S ATOM 448 CE MET A 28 -1.991 16.502 -3.794 1.00 0.00 C ATOM 0 H MET A 28 3.410 18.172 -2.883 1.00 0.00 H new ATOM 0 HA MET A 28 2.234 17.329 -4.559 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.438 19.677 -4.077 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.038 18.245 -5.005 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.680 16.877 -2.919 1.00 0.00 H new ATOM 0 HG3 MET A 28 0.730 18.397 -2.047 1.00 0.00 H new ATOM 0 HE1 MET A 28 -2.926 16.031 -3.491 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.121 16.972 -4.769 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.208 15.747 -3.856 1.00 0.00 H new ATOM 458 N ASP A 29 3.895 18.964 -6.114 1.00 0.00 N ATOM 459 CA ASP A 29 4.515 19.432 -7.347 1.00 0.00 C ATOM 460 C ASP A 29 4.824 18.220 -8.215 1.00 0.00 C ATOM 461 O ASP A 29 5.159 17.157 -7.680 1.00 0.00 O ATOM 462 CB ASP A 29 5.786 20.243 -7.052 1.00 0.00 C ATOM 463 CG ASP A 29 6.308 21.025 -8.268 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.547 21.249 -9.240 1.00 0.00 O ATOM 465 OD2 ASP A 29 7.476 21.476 -8.210 1.00 0.00 O ATOM 0 H ASP A 29 4.573 18.659 -5.416 1.00 0.00 H new ATOM 0 HA ASP A 29 3.832 20.097 -7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.582 20.942 -6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.566 19.567 -6.702 1.00 0.00 H new ATOM 470 N VAL A 30 4.705 18.345 -9.535 1.00 0.00 N ATOM 471 CA VAL A 30 4.869 17.225 -10.445 1.00 0.00 C ATOM 472 C VAL A 30 6.106 17.440 -11.315 1.00 0.00 C ATOM 473 O VAL A 30 6.171 18.363 -12.129 1.00 0.00 O ATOM 474 CB VAL A 30 3.546 16.946 -11.193 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.219 17.898 -12.349 1.00 0.00 C ATOM 476 CG2 VAL A 30 3.550 15.497 -11.698 1.00 0.00 C ATOM 0 H VAL A 30 4.492 19.228 -9.999 1.00 0.00 H new ATOM 0 HA VAL A 30 5.070 16.300 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 30 2.757 17.120 -10.461 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.270 17.609 -12.801 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.145 18.918 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.009 17.845 -13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.619 15.293 -12.227 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.392 15.350 -12.375 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.642 14.817 -10.851 1.00 0.00 H new ATOM 486 N TRP A 31 7.089 16.560 -11.147 1.00 0.00 N ATOM 487 CA TRP A 31 8.244 16.453 -12.007 1.00 0.00 C ATOM 488 C TRP A 31 7.791 15.596 -13.184 1.00 0.00 C ATOM 489 O TRP A 31 7.465 14.428 -12.983 1.00 0.00 O ATOM 490 CB TRP A 31 9.384 15.772 -11.232 1.00 0.00 C ATOM 491 CG TRP A 31 9.690 16.305 -9.860 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.383 15.725 -8.676 1.00 0.00 C ATOM 493 CD2 TRP A 31 10.413 17.515 -9.508 1.00 0.00 C ATOM 494 NE1 TRP A 31 9.898 16.474 -7.641 1.00 0.00 N ATOM 495 CE2 TRP A 31 10.568 17.585 -8.095 1.00 0.00 C ATOM 496 CE3 TRP A 31 10.964 18.553 -10.265 1.00 0.00 C ATOM 497 CZ2 TRP A 31 11.273 18.624 -7.468 1.00 0.00 C ATOM 498 CZ3 TRP A 31 11.702 19.587 -9.661 1.00 0.00 C ATOM 499 CH2 TRP A 31 11.858 19.625 -8.262 1.00 0.00 C ATOM 0 H TRP A 31 7.096 15.885 -10.382 1.00 0.00 H new ATOM 0 HA TRP A 31 8.613 17.420 -12.348 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.144 14.713 -11.138 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.291 15.842 -11.833 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.819 14.812 -8.560 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.795 16.233 -6.655 1.00 0.00 H new ATOM 0 HE3 TRP A 31 10.820 18.561 -11.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.364 18.654 -6.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 12.151 20.355 -10.273 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.425 20.420 -7.801 1.00 0.00 H new ATOM 510 N CYS A 32 7.749 16.135 -14.397 1.00 0.00 N ATOM 511 CA CYS A 32 7.487 15.368 -15.607 1.00 0.00 C ATOM 512 C CYS A 32 8.742 15.465 -16.468 1.00 0.00 C ATOM 513 O CYS A 32 9.255 16.563 -16.668 1.00 0.00 O ATOM 514 CB CYS A 32 6.242 15.935 -16.294 1.00 0.00 C ATOM 515 SG CYS A 32 4.814 15.882 -15.173 1.00 0.00 S ATOM 0 H CYS A 32 7.898 17.129 -14.569 1.00 0.00 H new ATOM 0 HA CYS A 32 7.280 14.317 -15.407 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.428 16.963 -16.606 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.025 15.362 -17.196 1.00 0.00 H new ATOM 0 HG CYS A 32 3.771 16.370 -15.776 1.00 0.00 H new ATOM 521 N ASN A 33 9.282 14.332 -16.931 1.00 0.00 N ATOM 522 CA ASN A 33 10.591 14.270 -17.606 1.00 0.00 C ATOM 523 C ASN A 33 11.700 14.938 -16.764 1.00 0.00 C ATOM 524 O ASN A 33 12.600 15.594 -17.288 1.00 0.00 O ATOM 525 CB ASN A 33 10.462 14.798 -19.052 1.00 0.00 C ATOM 526 CG ASN A 33 11.693 14.519 -19.912 1.00 0.00 C ATOM 527 OD1 ASN A 33 12.464 15.424 -20.234 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.901 13.271 -20.315 1.00 0.00 N ATOM 0 H ASN A 33 8.823 13.425 -16.849 1.00 0.00 H new ATOM 0 HA ASN A 33 10.913 13.232 -17.691 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.590 14.342 -19.521 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.284 15.873 -19.024 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.708 13.051 -20.899 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.254 12.532 -20.040 1.00 0.00 H new ATOM 535 N GLY A 34 11.608 14.814 -15.432 1.00 0.00 N ATOM 536 CA GLY A 34 12.580 15.357 -14.481 1.00 0.00 C ATOM 537 C GLY A 34 12.531 16.884 -14.316 1.00 0.00 C ATOM 538 O GLY A 34 13.433 17.448 -13.694 1.00 0.00 O ATOM 0 H GLY A 34 10.838 14.322 -14.979 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.414 14.894 -13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.582 15.072 -14.803 1.00 0.00 H new ATOM 542 N LYS A 35 11.513 17.564 -14.859 1.00 0.00 N ATOM 543 CA LYS A 35 11.366 19.029 -14.845 1.00 0.00 C ATOM 544 C LYS A 35 10.001 19.333 -14.240 1.00 0.00 C ATOM 545 O LYS A 35 9.050 18.619 -14.560 1.00 0.00 O ATOM 546 CB LYS A 35 11.461 19.558 -16.290 1.00 0.00 C ATOM 547 CG LYS A 35 12.803 19.233 -16.975 1.00 0.00 C ATOM 548 CD LYS A 35 12.723 19.425 -18.499 1.00 0.00 C ATOM 549 CE LYS A 35 14.003 18.964 -19.222 1.00 0.00 C ATOM 550 NZ LYS A 35 14.193 17.486 -19.202 1.00 0.00 N ATOM 0 H LYS A 35 10.743 17.096 -15.336 1.00 0.00 H new ATOM 0 HA LYS A 35 12.149 19.511 -14.259 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.649 19.132 -16.879 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.317 20.638 -16.283 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.585 19.874 -16.568 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.086 18.204 -16.752 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.870 18.868 -18.887 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.544 20.477 -18.720 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.970 19.305 -20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.866 19.440 -18.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 15.062 17.241 -19.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.272 17.159 -18.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.378 17.025 -19.656 1.00 0.00 H new ATOM 564 N LYS A 36 9.849 20.332 -13.362 1.00 0.00 N ATOM 565 CA LYS A 36 8.505 20.651 -12.882 1.00 0.00 C ATOM 566 C LYS A 36 7.730 21.402 -13.958 1.00 0.00 C ATOM 567 O LYS A 36 8.325 22.180 -14.710 1.00 0.00 O ATOM 568 CB LYS A 36 8.429 21.247 -11.465 1.00 0.00 C ATOM 569 CG LYS A 36 8.511 22.776 -11.304 1.00 0.00 C ATOM 570 CD LYS A 36 9.910 23.333 -10.995 1.00 0.00 C ATOM 571 CE LYS A 36 10.496 22.894 -9.637 1.00 0.00 C ATOM 572 NZ LYS A 36 9.624 23.219 -8.478 1.00 0.00 N ATOM 0 H LYS A 36 10.602 20.908 -12.986 1.00 0.00 H new ATOM 0 HA LYS A 36 7.989 19.705 -12.720 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.492 20.917 -11.017 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.236 20.808 -10.878 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.148 23.241 -12.221 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.834 23.077 -10.504 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.592 23.023 -11.786 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.866 24.422 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.672 21.819 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.465 23.373 -9.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.140 23.037 -7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.350 24.222 -8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.770 22.626 -8.509 1.00 0.00 H new ATOM 586 N LEU A 37 6.419 21.183 -14.025 1.00 0.00 N ATOM 587 CA LEU A 37 5.499 21.888 -14.904 1.00 0.00 C ATOM 588 C LEU A 37 4.244 22.299 -14.133 1.00 0.00 C ATOM 589 O LEU A 37 4.046 21.883 -12.988 1.00 0.00 O ATOM 590 CB LEU A 37 5.234 21.095 -16.191 1.00 0.00 C ATOM 591 CG LEU A 37 4.705 19.663 -16.027 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.261 19.561 -15.540 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.815 18.946 -17.378 1.00 0.00 C ATOM 0 H LEU A 37 5.955 20.483 -13.446 1.00 0.00 H new ATOM 0 HA LEU A 37 5.956 22.816 -15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.518 21.654 -16.793 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.163 21.051 -16.760 1.00 0.00 H new ATOM 0 HG LEU A 37 5.318 19.202 -15.252 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.979 18.512 -15.455 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.171 20.041 -14.565 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.601 20.058 -16.251 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.443 17.926 -17.280 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.222 19.478 -18.122 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.858 18.923 -17.694 1.00 0.00 H new ATOM 605 N GLU A 38 3.430 23.162 -14.739 1.00 0.00 N ATOM 606 CA GLU A 38 2.296 23.790 -14.075 1.00 0.00 C ATOM 607 C GLU A 38 1.183 22.776 -13.782 1.00 0.00 C ATOM 608 O GLU A 38 0.959 21.825 -14.537 1.00 0.00 O ATOM 609 CB GLU A 38 1.796 25.011 -14.871 1.00 0.00 C ATOM 610 CG GLU A 38 1.195 24.675 -16.246 1.00 0.00 C ATOM 611 CD GLU A 38 0.802 25.952 -17.008 1.00 0.00 C ATOM 612 OE1 GLU A 38 -0.340 26.443 -16.834 1.00 0.00 O ATOM 613 OE2 GLU A 38 1.631 26.477 -17.792 1.00 0.00 O ATOM 0 H GLU A 38 3.543 23.445 -15.712 1.00 0.00 H new ATOM 0 HA GLU A 38 2.632 24.161 -13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.044 25.532 -14.278 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.627 25.702 -15.011 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.917 24.106 -16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.318 24.041 -16.117 1.00 0.00 H new ATOM 620 N THR A 39 0.466 23.017 -12.687 1.00 0.00 N ATOM 621 CA THR A 39 -0.614 22.185 -12.167 1.00 0.00 C ATOM 622 C THR A 39 -1.778 23.088 -11.739 1.00 0.00 C ATOM 623 O THR A 39 -1.566 24.231 -11.318 1.00 0.00 O ATOM 624 CB THR A 39 -0.102 21.302 -11.009 1.00 0.00 C ATOM 625 OG1 THR A 39 0.882 21.941 -10.202 1.00 0.00 O ATOM 626 CG2 THR A 39 0.504 19.999 -11.546 1.00 0.00 C ATOM 0 H THR A 39 0.632 23.841 -12.109 1.00 0.00 H new ATOM 0 HA THR A 39 -0.975 21.509 -12.942 1.00 0.00 H new ATOM 0 HB THR A 39 -0.977 21.103 -10.390 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.164 21.333 -9.487 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.858 19.392 -10.713 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.254 19.446 -12.101 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.339 20.231 -12.207 1.00 0.00 H new ATOM 634 N ALA A 40 -3.001 22.564 -11.821 1.00 0.00 N ATOM 635 CA ALA A 40 -4.211 23.168 -11.271 1.00 0.00 C ATOM 636 C ALA A 40 -4.882 22.090 -10.429 1.00 0.00 C ATOM 637 O ALA A 40 -4.874 20.930 -10.840 1.00 0.00 O ATOM 638 CB ALA A 40 -5.129 23.654 -12.397 1.00 0.00 C ATOM 0 H ALA A 40 -3.181 21.676 -12.289 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.982 24.043 -10.663 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.026 24.101 -11.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.605 24.397 -12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.410 22.810 -13.027 1.00 0.00 H new ATOM 644 N GLY A 41 -5.430 22.434 -9.265 1.00 0.00 N ATOM 645 CA GLY A 41 -5.990 21.476 -8.325 1.00 0.00 C ATOM 646 C GLY A 41 -7.471 21.769 -8.208 1.00 0.00 C ATOM 647 O GLY A 41 -7.848 22.783 -7.617 1.00 0.00 O ATOM 0 H GLY A 41 -5.496 23.401 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.827 20.456 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.504 21.562 -7.353 1.00 0.00 H new ATOM 651 N GLU A 42 -8.301 20.904 -8.784 1.00 0.00 N ATOM 652 CA GLU A 42 -9.743 20.960 -8.622 1.00 0.00 C ATOM 653 C GLU A 42 -10.160 19.989 -7.525 1.00 0.00 C ATOM 654 O GLU A 42 -9.503 18.971 -7.308 1.00 0.00 O ATOM 655 CB GLU A 42 -10.466 20.680 -9.949 1.00 0.00 C ATOM 656 CG GLU A 42 -10.619 21.985 -10.733 1.00 0.00 C ATOM 657 CD GLU A 42 -11.407 21.802 -12.043 1.00 0.00 C ATOM 658 OE1 GLU A 42 -12.633 21.538 -11.987 1.00 0.00 O ATOM 659 OE2 GLU A 42 -10.822 21.975 -13.139 1.00 0.00 O ATOM 0 H GLU A 42 -7.985 20.139 -9.381 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.035 21.967 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.903 19.955 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.445 20.242 -9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.125 22.722 -10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.631 22.385 -10.961 1.00 0.00 H new ATOM 666 N PHE A 43 -11.260 20.296 -6.840 1.00 0.00 N ATOM 667 CA PHE A 43 -11.783 19.478 -5.755 1.00 0.00 C ATOM 668 C PHE A 43 -13.169 18.964 -6.133 1.00 0.00 C ATOM 669 O PHE A 43 -13.976 19.706 -6.700 1.00 0.00 O ATOM 670 CB PHE A 43 -11.811 20.276 -4.450 1.00 0.00 C ATOM 671 CG PHE A 43 -12.162 19.436 -3.235 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.186 18.602 -2.655 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.461 19.472 -2.692 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.508 17.808 -1.540 1.00 0.00 C ATOM 675 CE2 PHE A 43 -13.783 18.676 -1.577 1.00 0.00 C ATOM 676 CZ PHE A 43 -12.807 17.843 -1.002 1.00 0.00 C ATOM 0 H PHE A 43 -11.817 21.130 -7.027 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.131 18.620 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.836 20.737 -4.294 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.535 21.086 -4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.188 18.572 -3.068 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.212 20.112 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -10.757 17.171 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -14.780 18.705 -1.163 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.055 17.230 -0.148 1.00 0.00 H new ATOM 686 N VAL A 44 -13.443 17.705 -5.803 1.00 0.00 N ATOM 687 CA VAL A 44 -14.702 17.025 -6.036 1.00 0.00 C ATOM 688 C VAL A 44 -15.142 16.290 -4.770 1.00 0.00 C ATOM 689 O VAL A 44 -14.351 16.072 -3.850 1.00 0.00 O ATOM 690 CB VAL A 44 -14.567 16.055 -7.229 1.00 0.00 C ATOM 691 CG1 VAL A 44 -14.885 16.782 -8.537 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.220 15.322 -7.315 1.00 0.00 C ATOM 0 H VAL A 44 -12.756 17.107 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.468 17.759 -6.284 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.299 15.266 -7.055 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.787 16.088 -9.372 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -15.905 17.165 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.190 17.611 -8.671 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.219 14.664 -8.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.415 16.050 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.069 14.731 -6.412 1.00 0.00 H new ATOM 702 N ASP A 45 -16.398 15.834 -4.759 1.00 0.00 N ATOM 703 CA ASP A 45 -16.989 15.012 -3.698 1.00 0.00 C ATOM 704 C ASP A 45 -16.508 13.555 -3.814 1.00 0.00 C ATOM 705 O ASP A 45 -17.287 12.602 -3.896 1.00 0.00 O ATOM 706 CB ASP A 45 -18.516 15.159 -3.692 1.00 0.00 C ATOM 707 CG ASP A 45 -19.167 14.396 -2.521 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.638 14.442 -1.382 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.249 13.792 -2.722 1.00 0.00 O ATOM 0 H ASP A 45 -17.054 16.034 -5.514 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.647 15.367 -2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -18.778 16.215 -3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -18.919 14.789 -4.634 1.00 0.00 H new ATOM 714 N ASP A 46 -15.190 13.411 -3.933 1.00 0.00 N ATOM 715 CA ASP A 46 -14.447 12.199 -4.257 1.00 0.00 C ATOM 716 C ASP A 46 -12.987 12.343 -3.808 1.00 0.00 C ATOM 717 O ASP A 46 -12.386 11.371 -3.343 1.00 0.00 O ATOM 718 CB ASP A 46 -14.508 11.983 -5.775 1.00 0.00 C ATOM 719 CG ASP A 46 -13.425 11.019 -6.278 1.00 0.00 C ATOM 720 OD1 ASP A 46 -13.673 9.792 -6.310 1.00 0.00 O ATOM 721 OD2 ASP A 46 -12.366 11.510 -6.739 1.00 0.00 O ATOM 0 H ASP A 46 -14.565 14.205 -3.794 1.00 0.00 H new ATOM 0 HA ASP A 46 -14.885 11.345 -3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.490 11.593 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.398 12.943 -6.280 1.00 0.00 H new ATOM 726 N GLY A 47 -12.418 13.549 -3.896 1.00 0.00 N ATOM 727 CA GLY A 47 -11.029 13.817 -3.589 1.00 0.00 C ATOM 728 C GLY A 47 -10.588 15.076 -4.326 1.00 0.00 C ATOM 729 O GLY A 47 -11.409 15.943 -4.635 1.00 0.00 O ATOM 0 H GLY A 47 -12.932 14.379 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.900 13.946 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.409 12.971 -3.885 1.00 0.00 H new ATOM 733 N THR A 48 -9.301 15.158 -4.646 1.00 0.00 N ATOM 734 CA THR A 48 -8.722 16.258 -5.395 1.00 0.00 C ATOM 735 C THR A 48 -8.211 15.690 -6.713 1.00 0.00 C ATOM 736 O THR A 48 -7.769 14.540 -6.770 1.00 0.00 O ATOM 737 CB THR A 48 -7.615 16.965 -4.588 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.901 16.995 -3.194 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.385 18.412 -5.031 1.00 0.00 C ATOM 0 H THR A 48 -8.620 14.445 -4.385 1.00 0.00 H new ATOM 0 HA THR A 48 -9.470 17.026 -5.594 1.00 0.00 H new ATOM 0 HB THR A 48 -6.720 16.374 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.174 17.450 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.594 18.856 -4.426 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.092 18.429 -6.081 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.305 18.983 -4.902 1.00 0.00 H new ATOM 747 N GLU A 49 -8.248 16.491 -7.766 1.00 0.00 N ATOM 748 CA GLU A 49 -7.746 16.153 -9.081 1.00 0.00 C ATOM 749 C GLU A 49 -6.763 17.252 -9.487 1.00 0.00 C ATOM 750 O GLU A 49 -7.157 18.393 -9.741 1.00 0.00 O ATOM 751 CB GLU A 49 -8.904 15.923 -10.073 1.00 0.00 C ATOM 752 CG GLU A 49 -9.704 14.667 -9.676 1.00 0.00 C ATOM 753 CD GLU A 49 -10.826 14.262 -10.656 1.00 0.00 C ATOM 754 OE1 GLU A 49 -11.436 15.131 -11.326 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.150 13.050 -10.693 1.00 0.00 O ATOM 0 H GLU A 49 -8.645 17.430 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.209 15.205 -9.081 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.561 16.793 -10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.510 15.808 -11.083 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.011 13.831 -9.577 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.145 14.833 -8.693 1.00 0.00 H new ATOM 762 N THR A 50 -5.466 16.929 -9.477 1.00 0.00 N ATOM 763 CA THR A 50 -4.408 17.844 -9.895 1.00 0.00 C ATOM 764 C THR A 50 -4.170 17.621 -11.382 1.00 0.00 C ATOM 765 O THR A 50 -3.561 16.618 -11.743 1.00 0.00 O ATOM 766 CB THR A 50 -3.153 17.627 -9.035 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.406 18.049 -7.705 1.00 0.00 O ATOM 768 CG2 THR A 50 -1.924 18.379 -9.569 1.00 0.00 C ATOM 0 H THR A 50 -5.122 16.017 -9.176 1.00 0.00 H new ATOM 0 HA THR A 50 -4.691 18.886 -9.746 1.00 0.00 H new ATOM 0 HB THR A 50 -2.929 16.561 -9.070 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.605 17.908 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.070 18.187 -8.920 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.698 18.036 -10.578 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.132 19.449 -9.588 1.00 0.00 H new ATOM 776 N HIS A 51 -4.666 18.518 -12.229 1.00 0.00 N ATOM 777 CA HIS A 51 -4.606 18.416 -13.681 1.00 0.00 C ATOM 778 C HIS A 51 -3.303 19.012 -14.212 1.00 0.00 C ATOM 779 O HIS A 51 -2.803 19.994 -13.658 1.00 0.00 O ATOM 780 CB HIS A 51 -5.806 19.141 -14.308 1.00 0.00 C ATOM 781 CG HIS A 51 -7.148 18.550 -13.952 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.846 17.616 -14.688 1.00 0.00 N ATOM 783 CD2 HIS A 51 -7.926 18.876 -12.872 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.004 17.370 -14.055 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.105 18.120 -12.941 1.00 0.00 N ATOM 0 H HIS A 51 -5.137 19.365 -11.911 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.640 17.361 -13.954 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.788 20.185 -13.995 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.695 19.131 -15.392 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.675 19.591 -12.102 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.752 16.667 -14.393 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.882 18.135 -12.281 1.00 0.00 H new ATOM 793 N PHE A 52 -2.788 18.442 -15.302 1.00 0.00 N ATOM 794 CA PHE A 52 -1.685 18.952 -16.113 1.00 0.00 C ATOM 795 C PHE A 52 -1.796 18.330 -17.513 1.00 0.00 C ATOM 796 O PHE A 52 -2.714 17.555 -17.778 1.00 0.00 O ATOM 797 CB PHE A 52 -0.326 18.667 -15.442 1.00 0.00 C ATOM 798 CG PHE A 52 -0.031 17.227 -15.064 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.541 16.711 -13.855 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.813 16.428 -15.863 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.209 15.414 -13.440 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.156 15.130 -15.431 1.00 0.00 C ATOM 803 CZ PHE A 52 0.652 14.629 -14.220 1.00 0.00 C ATOM 0 H PHE A 52 -3.152 17.560 -15.662 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.747 20.036 -16.204 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.461 19.009 -16.114 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.260 19.274 -14.539 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.192 17.319 -13.245 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.194 16.808 -16.799 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.616 15.020 -12.521 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.810 14.518 -16.035 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.928 13.639 -13.889 1.00 0.00 H new ATOM 813 N SER A 53 -0.868 18.647 -18.416 1.00 0.00 N ATOM 814 CA SER A 53 -0.817 18.088 -19.763 1.00 0.00 C ATOM 815 C SER A 53 0.640 17.960 -20.198 1.00 0.00 C ATOM 816 O SER A 53 1.492 18.737 -19.758 1.00 0.00 O ATOM 817 CB SER A 53 -1.582 18.956 -20.778 1.00 0.00 C ATOM 818 OG SER A 53 -2.928 19.191 -20.386 1.00 0.00 O ATOM 0 H SER A 53 -0.118 19.312 -18.226 1.00 0.00 H new ATOM 0 HA SER A 53 -1.296 17.109 -19.739 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.069 19.911 -20.895 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.570 18.466 -21.752 1.00 0.00 H new ATOM 0 HG SER A 53 -3.373 19.747 -21.060 1.00 0.00 H new ATOM 824 N ILE A 54 0.918 16.980 -21.057 1.00 0.00 N ATOM 825 CA ILE A 54 2.225 16.684 -21.618 1.00 0.00 C ATOM 826 C ILE A 54 1.954 16.535 -23.113 1.00 0.00 C ATOM 827 O ILE A 54 1.295 15.582 -23.537 1.00 0.00 O ATOM 828 CB ILE A 54 2.795 15.416 -20.937 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.104 15.697 -19.446 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.078 14.922 -21.632 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.152 14.436 -18.589 1.00 0.00 C ATOM 0 H ILE A 54 0.197 16.342 -21.394 1.00 0.00 H new ATOM 0 HA ILE A 54 2.985 17.448 -21.454 1.00 0.00 H new ATOM 0 HB ILE A 54 2.035 14.639 -21.019 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.061 16.214 -19.372 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.346 16.370 -19.046 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.447 14.031 -21.124 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.859 14.682 -22.673 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.837 15.703 -21.592 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.373 14.706 -17.556 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.188 13.929 -18.633 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.929 13.770 -18.964 1.00 0.00 H new ATOM 843 N GLY A 55 2.395 17.513 -23.906 1.00 0.00 N ATOM 844 CA GLY A 55 2.012 17.600 -25.307 1.00 0.00 C ATOM 845 C GLY A 55 0.487 17.712 -25.401 1.00 0.00 C ATOM 846 O GLY A 55 -0.133 18.489 -24.669 1.00 0.00 O ATOM 0 H GLY A 55 3.020 18.257 -23.595 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.483 18.466 -25.773 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.359 16.719 -25.848 1.00 0.00 H new ATOM 850 N ASN A 56 -0.125 16.906 -26.274 1.00 0.00 N ATOM 851 CA ASN A 56 -1.577 16.858 -26.455 1.00 0.00 C ATOM 852 C ASN A 56 -2.283 16.071 -25.335 1.00 0.00 C ATOM 853 O ASN A 56 -3.505 16.170 -25.195 1.00 0.00 O ATOM 854 CB ASN A 56 -1.881 16.233 -27.828 1.00 0.00 C ATOM 855 CG ASN A 56 -3.376 16.212 -28.148 1.00 0.00 C ATOM 856 OD1 ASN A 56 -4.012 15.160 -28.144 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.970 17.359 -28.450 1.00 0.00 N ATOM 0 H ASN A 56 0.381 16.261 -26.881 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.964 17.876 -26.407 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.356 16.793 -28.602 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.494 15.214 -27.853 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.963 17.373 -28.682 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.434 18.227 -28.450 1.00 0.00 H new ATOM 864 N HIS A 57 -1.548 15.276 -24.550 1.00 0.00 N ATOM 865 CA HIS A 57 -2.130 14.330 -23.608 1.00 0.00 C ATOM 866 C HIS A 57 -2.413 15.065 -22.298 1.00 0.00 C ATOM 867 O HIS A 57 -1.484 15.594 -21.682 1.00 0.00 O ATOM 868 CB HIS A 57 -1.178 13.139 -23.389 1.00 0.00 C ATOM 869 CG HIS A 57 -0.691 12.506 -24.672 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.408 11.679 -25.509 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.546 12.678 -25.239 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.619 11.356 -26.549 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.584 11.949 -26.435 1.00 0.00 N ATOM 0 H HIS A 57 -0.528 15.275 -24.555 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.064 13.929 -24.003 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.317 13.475 -22.811 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.688 12.383 -22.792 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.351 13.273 -24.834 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.910 10.710 -27.364 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.365 11.881 -27.087 1.00 0.00 H new ATOM 881 N ASP A 58 -3.671 15.096 -21.852 1.00 0.00 N ATOM 882 CA ASP A 58 -4.012 15.614 -20.530 1.00 0.00 C ATOM 883 C ASP A 58 -3.911 14.499 -19.494 1.00 0.00 C ATOM 884 O ASP A 58 -4.172 13.321 -19.779 1.00 0.00 O ATOM 885 CB ASP A 58 -5.367 16.321 -20.477 1.00 0.00 C ATOM 886 CG ASP A 58 -6.521 15.364 -20.128 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.074 14.725 -21.056 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.903 15.284 -18.936 1.00 0.00 O ATOM 0 H ASP A 58 -4.472 14.766 -22.391 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.283 16.389 -20.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.327 17.121 -19.737 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.567 16.789 -21.441 1.00 0.00 H new ATOM 893 N CYS A 59 -3.507 14.890 -18.290 1.00 0.00 N ATOM 894 CA CYS A 59 -3.203 14.024 -17.171 1.00 0.00 C ATOM 895 C CYS A 59 -3.806 14.633 -15.913 1.00 0.00 C ATOM 896 O CYS A 59 -3.907 15.858 -15.812 1.00 0.00 O ATOM 897 CB CYS A 59 -1.688 13.943 -16.946 1.00 0.00 C ATOM 898 SG CYS A 59 -0.748 13.794 -18.492 1.00 0.00 S ATOM 0 H CYS A 59 -3.378 15.876 -18.063 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.603 13.032 -17.381 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.358 14.833 -16.411 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.466 13.087 -16.308 1.00 0.00 H new ATOM 0 HG CYS A 59 0.230 12.954 -18.326 1.00 0.00 H new ATOM 904 N TYR A 60 -4.160 13.816 -14.925 1.00 0.00 N ATOM 905 CA TYR A 60 -4.499 14.333 -13.621 1.00 0.00 C ATOM 906 C TYR A 60 -4.116 13.326 -12.553 1.00 0.00 C ATOM 907 O TYR A 60 -4.274 12.123 -12.741 1.00 0.00 O ATOM 908 CB TYR A 60 -5.958 14.801 -13.537 1.00 0.00 C ATOM 909 CG TYR A 60 -7.043 13.751 -13.690 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.317 12.858 -12.638 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.831 13.717 -14.857 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.369 11.935 -12.752 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.924 12.835 -14.951 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.208 11.945 -13.887 1.00 0.00 C ATOM 915 OH TYR A 60 -10.248 11.060 -13.960 1.00 0.00 O ATOM 0 H TYR A 60 -4.217 12.801 -15.010 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.916 15.236 -13.439 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.099 15.291 -12.574 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.113 15.558 -14.306 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.717 12.882 -11.741 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.595 14.371 -15.684 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.537 11.213 -11.967 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.546 12.837 -15.834 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.732 11.193 -14.802 1.00 0.00 H new ATOM 925 N ILE A 61 -3.624 13.800 -11.414 1.00 0.00 N ATOM 926 CA ILE A 61 -3.423 12.954 -10.249 1.00 0.00 C ATOM 927 C ILE A 61 -4.743 12.991 -9.494 1.00 0.00 C ATOM 928 O ILE A 61 -5.180 14.063 -9.085 1.00 0.00 O ATOM 929 CB ILE A 61 -2.206 13.432 -9.432 1.00 0.00 C ATOM 930 CG1 ILE A 61 -0.913 13.122 -10.214 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.143 12.778 -8.038 1.00 0.00 C ATOM 932 CD1 ILE A 61 0.232 14.069 -9.842 1.00 0.00 C ATOM 0 H ILE A 61 -3.356 14.774 -11.275 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.179 11.922 -10.502 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.309 14.506 -9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.610 12.094 -10.017 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.111 13.197 -11.283 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.269 13.147 -7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.044 13.028 -7.478 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.072 11.696 -8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.120 13.810 -10.419 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.059 15.096 -10.064 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.450 13.976 -8.778 1.00 0.00 H new ATOM 944 N LYS A 62 -5.381 11.833 -9.329 1.00 0.00 N ATOM 945 CA LYS A 62 -6.580 11.657 -8.525 1.00 0.00 C ATOM 946 C LYS A 62 -6.070 11.351 -7.128 1.00 0.00 C ATOM 947 O LYS A 62 -5.585 10.248 -6.877 1.00 0.00 O ATOM 948 CB LYS A 62 -7.440 10.543 -9.157 1.00 0.00 C ATOM 949 CG LYS A 62 -8.943 10.625 -8.835 1.00 0.00 C ATOM 950 CD LYS A 62 -9.715 9.579 -9.668 1.00 0.00 C ATOM 951 CE LYS A 62 -11.217 9.475 -9.347 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.928 10.779 -9.347 1.00 0.00 N ATOM 0 H LYS A 62 -5.064 10.968 -9.766 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.234 12.528 -8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.313 10.575 -10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.063 9.577 -8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.106 10.449 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.317 11.625 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.600 9.821 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.257 8.602 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.689 8.816 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.337 9.008 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.934 10.626 -9.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.840 11.223 -8.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.509 11.403 -10.066 1.00 0.00 H new ATOM 966 N ALA A 63 -6.108 12.339 -6.244 1.00 0.00 N ATOM 967 CA ALA A 63 -5.843 12.177 -4.831 1.00 0.00 C ATOM 968 C ALA A 63 -7.202 11.897 -4.197 1.00 0.00 C ATOM 969 O ALA A 63 -7.935 12.816 -3.840 1.00 0.00 O ATOM 970 CB ALA A 63 -5.155 13.428 -4.295 1.00 0.00 C ATOM 0 H ALA A 63 -6.331 13.300 -6.503 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.162 11.358 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.955 13.306 -3.230 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.215 13.582 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.802 14.292 -4.446 1.00 0.00 H new ATOM 976 N VAL A 64 -7.574 10.627 -4.154 1.00 0.00 N ATOM 977 CA VAL A 64 -8.886 10.133 -3.812 1.00 0.00 C ATOM 978 C VAL A 64 -9.013 9.966 -2.299 1.00 0.00 C ATOM 979 O VAL A 64 -8.141 9.349 -1.685 1.00 0.00 O ATOM 980 CB VAL A 64 -9.124 8.780 -4.529 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.537 8.752 -5.118 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.127 8.374 -5.634 1.00 0.00 C ATOM 0 H VAL A 64 -6.923 9.873 -4.371 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.639 10.850 -4.138 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.971 8.046 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.702 7.800 -5.622 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.267 8.871 -4.318 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.649 9.566 -5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.416 7.408 -6.047 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.135 9.124 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.125 8.303 -5.212 1.00 0.00 H new ATOM 992 N SER A 65 -10.116 10.406 -1.696 1.00 0.00 N ATOM 993 CA SER A 65 -10.359 10.288 -0.256 1.00 0.00 C ATOM 994 C SER A 65 -11.044 8.962 0.123 1.00 0.00 C ATOM 995 O SER A 65 -11.778 8.894 1.110 1.00 0.00 O ATOM 996 CB SER A 65 -11.087 11.543 0.248 1.00 0.00 C ATOM 997 OG SER A 65 -10.431 12.717 -0.218 1.00 0.00 O ATOM 0 H SER A 65 -10.878 10.861 -2.199 1.00 0.00 H new ATOM 0 HA SER A 65 -9.402 10.242 0.263 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.121 11.535 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.115 11.542 1.338 1.00 0.00 H new ATOM 0 HG SER A 65 -10.906 13.509 0.109 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.771 9.389 2.054 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.927 9.682 0.643 1.00 0.00 C ATOM 1113 C ILE A 73 -5.025 8.750 -0.174 1.00 0.00 C ATOM 1114 O ILE A 73 -3.838 8.586 0.124 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.682 11.185 0.414 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.989 11.879 0.861 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.376 11.541 -1.050 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.981 13.395 0.832 1.00 0.00 C ATOM 0 HA ILE A 73 -6.942 9.485 0.297 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.804 11.507 0.974 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -7.800 11.528 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.219 11.556 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.214 12.615 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.480 11.012 -1.373 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.217 11.248 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.949 13.770 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.200 13.767 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.789 13.738 -0.185 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.597 8.176 -1.231 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.899 7.370 -2.220 1.00 0.00 C ATOM 1132 C ILE A 74 -4.459 8.336 -3.318 1.00 0.00 C ATOM 1133 O ILE A 74 -5.254 9.189 -3.703 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.838 6.256 -2.747 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -6.363 5.354 -1.605 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -5.187 5.406 -3.852 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -5.301 4.581 -0.809 1.00 0.00 C ATOM 0 H ILE A 74 -6.594 8.265 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.029 6.860 -1.807 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.690 6.770 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.928 5.975 -0.910 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.063 4.635 -2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.889 4.641 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.922 6.045 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.288 4.928 -3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.787 3.985 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.749 3.924 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.612 5.285 -0.343 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.245 8.211 -3.854 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.818 8.989 -5.016 1.00 0.00 C ATOM 1151 C HIS A 75 -2.703 8.044 -6.210 1.00 0.00 C ATOM 1152 O HIS A 75 -2.034 7.012 -6.116 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.492 9.707 -4.723 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.635 10.858 -3.759 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -1.756 10.779 -2.387 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -1.681 12.184 -4.090 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -1.860 12.034 -1.911 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -1.818 12.927 -2.916 1.00 0.00 N ATOM 0 H HIS A 75 -2.534 7.572 -3.498 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.550 9.763 -5.247 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.780 8.988 -4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.073 10.076 -5.659 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.621 12.588 -5.090 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -1.963 12.289 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -1.875 13.942 -2.836 1.00 0.00 H new ATOM 1166 N THR A 76 -3.321 8.413 -7.336 1.00 0.00 N ATOM 1167 CA THR A 76 -3.236 7.688 -8.599 1.00 0.00 C ATOM 1168 C THR A 76 -2.980 8.698 -9.703 1.00 0.00 C ATOM 1169 O THR A 76 -3.485 9.813 -9.618 1.00 0.00 O ATOM 1170 CB THR A 76 -4.544 6.919 -8.879 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.072 6.324 -7.702 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.322 5.820 -9.917 1.00 0.00 C ATOM 0 H THR A 76 -3.908 9.245 -7.392 1.00 0.00 H new ATOM 0 HA THR A 76 -2.427 6.959 -8.552 1.00 0.00 H new ATOM 0 HB THR A 76 -5.256 7.652 -9.258 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.900 5.848 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.260 5.294 -10.096 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.972 6.265 -10.849 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.576 5.117 -9.548 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.250 8.324 -10.753 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.144 9.142 -11.951 1.00 0.00 C ATOM 1182 C LEU A 77 -3.155 8.607 -12.951 1.00 0.00 C ATOM 1183 O LEU A 77 -3.197 7.404 -13.191 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.710 9.110 -12.491 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.542 9.818 -13.843 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.776 11.328 -13.733 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.867 9.572 -14.371 1.00 0.00 C ATOM 0 H LEU A 77 -1.721 7.453 -10.794 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.365 10.189 -11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.047 9.576 -11.762 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.393 8.072 -12.593 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.287 9.409 -14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.647 11.788 -14.712 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.789 11.514 -13.375 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.059 11.757 -13.033 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.989 10.074 -15.331 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.595 9.965 -13.661 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.026 8.501 -14.499 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.964 9.481 -13.528 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.836 9.203 -14.645 1.00 0.00 C ATOM 1201 C ILE A 78 -4.261 9.988 -15.831 1.00 0.00 C ATOM 1202 O ILE A 78 -3.790 11.114 -15.659 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.296 9.580 -14.298 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -7.061 8.479 -13.533 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -7.109 9.920 -15.551 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.490 8.186 -12.148 1.00 0.00 C ATOM 0 H ILE A 78 -4.029 10.448 -13.211 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.875 8.143 -14.896 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.198 10.451 -13.650 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.104 8.778 -13.431 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.048 7.563 -14.123 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.128 10.179 -15.264 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.650 10.765 -16.064 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.128 9.058 -16.218 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.078 7.402 -11.670 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.455 7.856 -12.243 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.528 9.090 -11.540 1.00 0.00 H new ATOM 1218 N VAL A 79 -4.321 9.429 -17.038 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.936 10.082 -18.281 1.00 0.00 C ATOM 1220 C VAL A 79 -4.940 9.675 -19.345 1.00 0.00 C ATOM 1221 O VAL A 79 -5.258 8.492 -19.449 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.502 9.700 -18.673 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -2.028 10.424 -19.943 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.534 10.010 -17.529 1.00 0.00 C ATOM 0 H VAL A 79 -4.651 8.474 -17.179 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.946 11.166 -18.166 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.510 8.629 -18.878 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.008 10.119 -20.177 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.684 10.166 -20.775 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.056 11.501 -19.779 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.522 9.733 -17.824 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.567 11.076 -17.303 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.822 9.442 -16.644 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.461 10.637 -20.110 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.511 10.410 -21.113 1.00 0.00 C ATOM 1236 C ASP A 80 -7.684 9.587 -20.544 1.00 0.00 C ATOM 1237 O ASP A 80 -8.235 8.697 -21.193 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.913 9.834 -22.406 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.944 9.751 -23.550 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.737 10.703 -23.743 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.913 8.754 -24.312 1.00 0.00 O ATOM 0 H ASP A 80 -5.163 11.611 -20.051 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.948 11.372 -21.381 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.074 10.454 -22.722 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.516 8.839 -22.207 1.00 0.00 H new ATOM 1246 N ASN A 81 -8.032 9.856 -19.278 1.00 0.00 N ATOM 1247 CA ASN A 81 -9.048 9.163 -18.470 1.00 0.00 C ATOM 1248 C ASN A 81 -8.757 7.675 -18.172 1.00 0.00 C ATOM 1249 O ASN A 81 -9.616 6.978 -17.627 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.462 9.404 -19.039 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.568 9.123 -18.015 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.450 9.456 -16.837 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.685 8.550 -18.443 1.00 0.00 N ATOM 0 H ASN A 81 -7.584 10.610 -18.757 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.997 9.621 -17.482 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.541 10.437 -19.379 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.611 8.769 -19.912 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.454 8.383 -17.794 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.775 8.277 -19.422 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.562 7.160 -18.492 1.00 0.00 N ATOM 1261 CA ARG A 82 -7.094 5.828 -18.119 1.00 0.00 C ATOM 1262 C ARG A 82 -6.268 5.911 -16.851 1.00 0.00 C ATOM 1263 O ARG A 82 -5.599 6.911 -16.608 1.00 0.00 O ATOM 1264 CB ARG A 82 -6.258 5.208 -19.253 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.144 4.650 -20.361 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.797 5.698 -21.267 1.00 0.00 C ATOM 1267 NE ARG A 82 -8.517 5.077 -22.394 1.00 0.00 N ATOM 1268 CZ ARG A 82 -9.322 5.730 -23.245 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -9.505 7.044 -23.127 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -9.947 5.063 -24.213 1.00 0.00 N ATOM 0 H ARG A 82 -6.875 7.681 -19.036 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.961 5.191 -17.943 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.588 5.962 -19.667 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.632 4.412 -18.851 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.546 3.981 -20.980 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.930 4.047 -19.906 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.490 6.303 -20.682 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -7.032 6.373 -21.652 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.393 4.075 -22.537 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.031 7.560 -22.386 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.119 7.534 -23.778 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.813 4.056 -24.307 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.559 5.559 -24.861 1.00 0.00 H new ATOM 1284 N GLU A 83 -6.294 4.854 -16.054 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.602 4.778 -14.780 1.00 0.00 C ATOM 1286 C GLU A 83 -4.186 4.224 -14.981 1.00 0.00 C ATOM 1287 O GLU A 83 -4.003 3.250 -15.715 1.00 0.00 O ATOM 1288 CB GLU A 83 -6.459 3.961 -13.804 1.00 0.00 C ATOM 1289 CG GLU A 83 -5.745 3.664 -12.486 1.00 0.00 C ATOM 1290 CD GLU A 83 -6.683 2.958 -11.488 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -7.542 3.636 -10.872 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -6.568 1.720 -11.315 1.00 0.00 O ATOM 0 H GLU A 83 -6.810 4.005 -16.283 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.470 5.767 -14.342 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.381 4.504 -13.597 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.742 3.021 -14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.874 3.037 -12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.380 4.594 -12.050 1.00 0.00 H new ATOM 1299 N ILE A 84 -3.196 4.839 -14.321 1.00 0.00 N ATOM 1300 CA ILE A 84 -1.771 4.547 -14.449 1.00 0.00 C ATOM 1301 C ILE A 84 -1.271 4.125 -13.048 1.00 0.00 C ATOM 1302 O ILE A 84 -1.328 4.940 -12.122 1.00 0.00 O ATOM 1303 CB ILE A 84 -1.032 5.796 -15.006 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.677 6.422 -16.263 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.451 5.498 -15.286 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.819 5.495 -17.476 1.00 0.00 C ATOM 0 H ILE A 84 -3.380 5.588 -13.653 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.575 3.738 -15.153 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.121 6.536 -14.210 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.667 6.791 -15.994 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.084 7.287 -16.559 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.935 6.394 -15.674 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.941 5.192 -14.362 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.529 4.696 -16.021 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.283 6.040 -18.298 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.834 5.145 -17.784 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.441 4.640 -17.210 1.00 0.00 H new ATOM 1318 N PRO A 85 -0.796 2.879 -12.852 1.00 0.00 N ATOM 1319 CA PRO A 85 -0.299 2.404 -11.562 1.00 0.00 C ATOM 1320 C PRO A 85 1.122 2.919 -11.285 1.00 0.00 C ATOM 1321 O PRO A 85 1.935 3.036 -12.207 1.00 0.00 O ATOM 1322 CB PRO A 85 -0.356 0.876 -11.647 1.00 0.00 C ATOM 1323 CG PRO A 85 -0.119 0.605 -13.135 1.00 0.00 C ATOM 1324 CD PRO A 85 -0.794 1.794 -13.823 1.00 0.00 C ATOM 0 HA PRO A 85 -0.899 2.774 -10.731 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.407 0.408 -11.025 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -1.319 0.489 -11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.944 0.555 -13.370 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.559 -0.342 -13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -0.253 2.080 -14.725 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -1.810 1.542 -14.127 1.00 0.00 H new ATOM 1332 N GLU A 86 1.431 3.233 -10.019 1.00 0.00 N ATOM 1333 CA GLU A 86 2.748 3.726 -9.615 1.00 0.00 C ATOM 1334 C GLU A 86 3.802 2.617 -9.736 1.00 0.00 C ATOM 1335 O GLU A 86 3.476 1.424 -9.764 1.00 0.00 O ATOM 1336 CB GLU A 86 2.706 4.366 -8.214 1.00 0.00 C ATOM 1337 CG GLU A 86 2.961 3.393 -7.058 1.00 0.00 C ATOM 1338 CD GLU A 86 2.951 4.122 -5.705 1.00 0.00 C ATOM 1339 OE1 GLU A 86 3.841 4.978 -5.472 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.058 3.846 -4.869 1.00 0.00 O ATOM 0 H GLU A 86 0.770 3.151 -9.247 1.00 0.00 H new ATOM 0 HA GLU A 86 3.045 4.521 -10.299 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.449 5.163 -8.171 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.731 4.831 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.198 2.614 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.922 2.899 -7.201 1.00 0.00 H new