USER MOD reduce.3.24.130724 H: found=0, std=0, add=905, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 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 88 SER OG : rot 130:sc= 0 USER MOD Set 1.2: A 92 ASN : amide:sc=-0.00694 K(o=-0.0069,f=-1.1) USER MOD Set 2.1: A 76 SER OG : rot 180:sc= 0.387 USER MOD Set 2.2: A 78 ASN : amide:sc= -2.88! K(o=-2.5!,f=0.79) USER MOD Set 3.1: A 55 GLN : amide:sc= -6.67! C(o=-6.2!,f=-3.7!) USER MOD Set 3.2: A 90 SER OG : rot 103:sc= 0.494 USER MOD Set 4.1: A 25 LYS NZ :NH3+ 146:sc= -1.78 (180deg=-0.00364) USER MOD Set 4.2: A 26 GLN : amide:sc= -2.87! C(o=-4.7!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -144:sc= 0.661 (180deg=-2.2!) USER MOD Single : A 7 HIS : no HD1:sc= -0.808 K(o=-0.81,f=-2.3!) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00698) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 163:sc= 0 (180deg=-0.407) USER MOD Single : A 24 SER OG : rot -69:sc= 0.73 USER MOD Single : A 28 HIS : no HD1:sc= -0.831 K(o=-0.83,f=-2.8!) USER MOD Single : A 37 SER OG : rot -151:sc= -1.14 USER MOD Single : A 39 SER OG : rot -56:sc= 0.726 USER MOD Single : A 45 SER OG : rot 78:sc= 0.0859 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 172:sc=-0.000183 (180deg=-0.0916) USER MOD Single : A 52 ASN : amide:sc= -2.6! C(o=-2.6!,f=-4.6!) USER MOD Single : A 56 HIS : no HD1:sc= -0.743 K(o=-0.74,f=-0.22) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.171) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 137:sc= 1.26 (180deg=0.967) USER MOD Single : A 75 ASN : amide:sc= -5.67! C(o=-5.7!,f=-16!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.85 X(o=-0.85,f=-0.38) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -135:sc= 0.591 USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 94 GLN : amide:sc= -1.94 X(o=-1.9,f=-2.3) USER MOD Single : A 102 GLN : amide:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.375 K(o=-0.37,f=-2) USER MOD Single : A 106 GLN : amide:sc= -1.24! C(o=-1.2!,f=-1.4!) USER MOD Single : A 108 THR OG1 : rot 108:sc= 0.431 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -0.881 K(o=-0.88,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.491 9.159 13.145 1.00 0.00 N ATOM 2 CA GLY A 1 23.582 7.747 13.497 1.00 0.00 C ATOM 3 C GLY A 1 22.357 6.959 13.028 1.00 0.00 C ATOM 4 O GLY A 1 22.207 6.628 11.859 1.00 0.00 O ATOM 0 H1 GLY A 1 24.341 9.656 13.481 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.419 9.255 12.112 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.648 9.574 13.591 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.480 7.320 13.052 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.684 7.649 14.578 1.00 0.00 H new ATOM 10 N ILE A 2 21.498 6.682 14.027 1.00 0.00 N ATOM 11 CA ILE A 2 20.295 5.937 13.709 1.00 0.00 C ATOM 12 C ILE A 2 19.642 6.525 12.457 1.00 0.00 C ATOM 13 O ILE A 2 19.301 7.700 12.396 1.00 0.00 O ATOM 14 CB ILE A 2 19.327 5.995 14.890 1.00 0.00 C ATOM 15 CG1 ILE A 2 18.075 5.165 14.608 1.00 0.00 C ATOM 16 CG2 ILE A 2 18.954 7.444 15.212 1.00 0.00 C ATOM 17 CD1 ILE A 2 18.406 3.684 14.413 1.00 0.00 C ATOM 0 H ILE A 2 21.614 6.951 15.004 1.00 0.00 H new ATOM 0 HA ILE A 2 20.552 4.895 13.516 1.00 0.00 H new ATOM 0 HB ILE A 2 19.827 5.569 15.760 1.00 0.00 H new ATOM 0 HG12 ILE A 2 17.373 5.275 15.434 1.00 0.00 H new ATOM 0 HG13 ILE A 2 17.579 5.547 13.716 1.00 0.00 H new ATOM 0 HG21 ILE A 2 18.264 7.463 16.056 1.00 0.00 H new ATOM 0 HG22 ILE A 2 19.854 8.003 15.466 1.00 0.00 H new ATOM 0 HG23 ILE A 2 18.478 7.899 14.343 1.00 0.00 H new ATOM 0 HD11 ILE A 2 17.489 3.129 14.215 1.00 0.00 H new ATOM 0 HD12 ILE A 2 19.088 3.571 13.570 1.00 0.00 H new ATOM 0 HD13 ILE A 2 18.878 3.295 15.315 1.00 0.00 H new ATOM 29 N GLU A 3 19.494 5.626 11.467 1.00 0.00 N ATOM 30 CA GLU A 3 18.890 6.071 10.226 1.00 0.00 C ATOM 31 C GLU A 3 17.445 5.583 10.149 1.00 0.00 C ATOM 32 O GLU A 3 17.004 5.003 9.163 1.00 0.00 O ATOM 33 CB GLU A 3 19.695 5.544 9.037 1.00 0.00 C ATOM 34 CG GLU A 3 21.142 6.035 9.064 1.00 0.00 C ATOM 35 CD GLU A 3 21.175 7.563 8.991 1.00 0.00 C ATOM 36 OE1 GLU A 3 21.054 8.100 7.890 1.00 0.00 O ATOM 37 OE2 GLU A 3 21.324 8.197 10.034 1.00 0.00 O ATOM 0 H GLU A 3 19.770 4.645 11.506 1.00 0.00 H new ATOM 0 HA GLU A 3 18.894 7.161 10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 3 19.682 4.454 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.221 5.862 8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.634 5.695 9.976 1.00 0.00 H new ATOM 0 HG3 GLU A 3 21.695 5.610 8.226 1.00 0.00 H new ATOM 44 N MET A 4 16.745 5.863 11.261 1.00 0.00 N ATOM 45 CA MET A 4 15.353 5.471 11.321 1.00 0.00 C ATOM 46 C MET A 4 14.485 6.705 11.574 1.00 0.00 C ATOM 47 O MET A 4 14.559 7.341 12.617 1.00 0.00 O ATOM 48 CB MET A 4 15.164 4.455 12.446 1.00 0.00 C ATOM 49 CG MET A 4 13.718 3.967 12.539 1.00 0.00 C ATOM 50 SD MET A 4 13.511 2.775 13.872 1.00 0.00 S ATOM 51 CE MET A 4 13.183 3.942 15.202 1.00 0.00 C ATOM 0 H MET A 4 17.110 6.337 12.087 1.00 0.00 H new ATOM 0 HA MET A 4 15.056 5.018 10.375 1.00 0.00 H new ATOM 0 HB2 MET A 4 15.824 3.604 12.280 1.00 0.00 H new ATOM 0 HB3 MET A 4 15.456 4.905 13.394 1.00 0.00 H new ATOM 0 HG2 MET A 4 13.055 4.817 12.703 1.00 0.00 H new ATOM 0 HG3 MET A 4 13.425 3.512 11.593 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.024 3.398 16.133 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.034 4.613 15.315 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.292 4.523 14.965 1.00 0.00 H new ATOM 61 N LYS A 5 13.663 6.997 10.549 1.00 0.00 N ATOM 62 CA LYS A 5 12.814 8.163 10.690 1.00 0.00 C ATOM 63 C LYS A 5 11.911 8.315 9.461 1.00 0.00 C ATOM 64 O LYS A 5 12.239 7.891 8.360 1.00 0.00 O ATOM 65 CB LYS A 5 13.679 9.413 10.855 1.00 0.00 C ATOM 66 CG LYS A 5 14.426 9.794 9.581 1.00 0.00 C ATOM 67 CD LYS A 5 15.548 8.815 9.228 1.00 0.00 C ATOM 68 CE LYS A 5 15.181 7.899 8.058 1.00 0.00 C ATOM 69 NZ LYS A 5 16.268 6.995 7.704 1.00 0.00 N ATOM 0 H LYS A 5 13.578 6.475 9.677 1.00 0.00 H new ATOM 0 HA LYS A 5 12.187 8.038 11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 5 13.048 10.247 11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 5 14.399 9.246 11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 5 13.719 9.841 8.753 1.00 0.00 H new ATOM 0 HG3 LYS A 5 14.847 10.793 9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 5 16.449 9.375 8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 5 15.783 8.207 10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 5 14.297 7.317 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 5 14.919 8.506 7.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 16.285 6.859 6.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 17.173 7.402 8.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 16.123 6.078 8.172 1.00 0.00 H new ATOM 83 N PRO A 6 10.754 8.963 9.717 1.00 0.00 N ATOM 84 CA PRO A 6 9.809 9.330 8.675 1.00 0.00 C ATOM 85 C PRO A 6 10.499 9.896 7.426 1.00 0.00 C ATOM 86 O PRO A 6 11.442 10.670 7.531 1.00 0.00 O ATOM 87 CB PRO A 6 8.925 10.384 9.343 1.00 0.00 C ATOM 88 CG PRO A 6 8.986 10.052 10.837 1.00 0.00 C ATOM 89 CD PRO A 6 10.364 9.419 11.046 1.00 0.00 C ATOM 0 HA PRO A 6 9.251 8.468 8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.292 11.391 9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.902 10.338 8.969 1.00 0.00 H new ATOM 0 HG2 PRO A 6 8.867 10.948 11.446 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.189 9.365 11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.077 10.140 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 6 10.319 8.591 11.754 1.00 0.00 H new ATOM 97 N HIS A 7 10.023 9.449 6.243 1.00 0.00 N ATOM 98 CA HIS A 7 8.783 8.695 6.155 1.00 0.00 C ATOM 99 C HIS A 7 9.063 7.200 6.355 1.00 0.00 C ATOM 100 O HIS A 7 10.061 6.667 5.884 1.00 0.00 O ATOM 101 CB HIS A 7 8.154 8.907 4.776 1.00 0.00 C ATOM 102 CG HIS A 7 7.768 10.358 4.599 1.00 0.00 C ATOM 103 ND1 HIS A 7 8.407 11.394 5.185 1.00 0.00 N ATOM 104 CD2 HIS A 7 6.714 10.871 3.825 1.00 0.00 C ATOM 105 CE1 HIS A 7 7.761 12.501 4.778 1.00 0.00 C ATOM 106 NE2 HIS A 7 6.735 12.216 3.956 1.00 0.00 N ATOM 0 H HIS A 7 10.487 9.604 5.348 1.00 0.00 H new ATOM 0 HA HIS A 7 8.101 9.042 6.931 1.00 0.00 H new ATOM 0 HB2 HIS A 7 8.858 8.612 3.997 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.274 8.273 4.667 1.00 0.00 H new ATOM 0 HD2 HIS A 7 6.016 10.297 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 7 8.034 13.502 5.076 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.099 12.883 3.518 1.00 0.00 H new ATOM 114 N PRO A 8 8.121 6.547 7.073 1.00 0.00 N ATOM 115 CA PRO A 8 8.169 5.112 7.304 1.00 0.00 C ATOM 116 C PRO A 8 7.721 4.386 6.022 1.00 0.00 C ATOM 117 O PRO A 8 8.328 4.533 4.968 1.00 0.00 O ATOM 118 CB PRO A 8 7.195 4.919 8.473 1.00 0.00 C ATOM 119 CG PRO A 8 6.186 6.062 8.339 1.00 0.00 C ATOM 120 CD PRO A 8 6.969 7.199 7.682 1.00 0.00 C ATOM 0 HA PRO A 8 9.155 4.712 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.702 3.948 8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.714 4.961 9.431 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.332 5.766 7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.795 6.361 9.312 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.366 7.716 6.936 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.277 7.944 8.416 1.00 0.00 H new ATOM 128 N TRP A 9 6.623 3.618 6.162 1.00 0.00 N ATOM 129 CA TRP A 9 6.054 2.997 4.970 1.00 0.00 C ATOM 130 C TRP A 9 5.111 3.945 4.193 1.00 0.00 C ATOM 131 O TRP A 9 4.339 3.508 3.346 1.00 0.00 O ATOM 132 CB TRP A 9 5.346 1.668 5.296 1.00 0.00 C ATOM 133 CG TRP A 9 4.456 1.754 6.521 1.00 0.00 C ATOM 134 CD1 TRP A 9 4.694 1.087 7.729 1.00 0.00 C ATOM 135 CD2 TRP A 9 3.233 2.501 6.695 1.00 0.00 C ATOM 136 NE1 TRP A 9 3.714 1.369 8.623 1.00 0.00 N ATOM 137 CE2 TRP A 9 2.784 2.230 8.058 1.00 0.00 C ATOM 138 CE3 TRP A 9 2.479 3.357 5.857 1.00 0.00 C ATOM 139 CZ2 TRP A 9 1.596 2.819 8.550 1.00 0.00 C ATOM 140 CZ3 TRP A 9 1.266 3.961 6.352 1.00 0.00 C ATOM 141 CH2 TRP A 9 0.824 3.692 7.699 1.00 0.00 C ATOM 0 H TRP A 9 6.141 3.425 7.040 1.00 0.00 H new ATOM 0 HA TRP A 9 6.898 2.778 4.316 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.746 1.363 4.439 1.00 0.00 H new ATOM 0 HB3 TRP A 9 6.096 0.892 5.452 1.00 0.00 H new ATOM 0 HD1 TRP A 9 5.537 0.440 7.921 1.00 0.00 H new ATOM 0 HE1 TRP A 9 3.667 1.001 9.573 1.00 0.00 H new ATOM 0 HE3 TRP A 9 2.811 3.558 4.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.268 2.616 9.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.689 4.614 5.715 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -0.084 4.144 8.070 1.00 0.00 H new ATOM 152 N PHE A 10 5.223 5.251 4.510 1.00 0.00 N ATOM 153 CA PHE A 10 4.399 6.222 3.815 1.00 0.00 C ATOM 154 C PHE A 10 5.170 6.779 2.618 1.00 0.00 C ATOM 155 O PHE A 10 6.280 7.283 2.749 1.00 0.00 O ATOM 156 CB PHE A 10 4.055 7.358 4.780 1.00 0.00 C ATOM 157 CG PHE A 10 3.050 8.310 4.204 1.00 0.00 C ATOM 158 CD1 PHE A 10 1.948 7.821 3.417 1.00 0.00 C ATOM 159 CD2 PHE A 10 3.178 9.724 4.446 1.00 0.00 C ATOM 160 CE1 PHE A 10 0.977 8.737 2.879 1.00 0.00 C ATOM 161 CE2 PHE A 10 2.208 10.643 3.910 1.00 0.00 C ATOM 162 CZ PHE A 10 1.108 10.148 3.128 1.00 0.00 C ATOM 0 H PHE A 10 5.853 5.633 5.215 1.00 0.00 H new ATOM 0 HA PHE A 10 3.483 5.749 3.462 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.665 6.938 5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.964 7.903 5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.850 6.762 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 10 4.005 10.097 5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.152 8.366 2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.307 11.702 4.095 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.379 10.836 2.727 1.00 0.00 H new ATOM 172 N PHE A 11 4.518 6.654 1.448 1.00 0.00 N ATOM 173 CA PHE A 11 5.183 7.151 0.260 1.00 0.00 C ATOM 174 C PHE A 11 4.239 8.056 -0.530 1.00 0.00 C ATOM 175 O PHE A 11 3.200 7.640 -1.027 1.00 0.00 O ATOM 176 CB PHE A 11 5.630 5.983 -0.621 1.00 0.00 C ATOM 177 CG PHE A 11 6.608 5.100 0.096 1.00 0.00 C ATOM 178 CD1 PHE A 11 6.144 4.085 1.005 1.00 0.00 C ATOM 179 CD2 PHE A 11 8.023 5.264 -0.123 1.00 0.00 C ATOM 180 CE1 PHE A 11 7.084 3.235 1.688 1.00 0.00 C ATOM 181 CE2 PHE A 11 8.967 4.418 0.559 1.00 0.00 C ATOM 182 CZ PHE A 11 8.495 3.403 1.464 1.00 0.00 C ATOM 0 H PHE A 11 3.595 6.241 1.314 1.00 0.00 H new ATOM 0 HA PHE A 11 6.058 7.725 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.761 5.398 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.085 6.367 -1.534 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.085 3.960 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.377 6.025 -0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.731 2.473 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.027 4.544 0.392 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.202 2.766 1.976 1.00 0.00 H new ATOM 192 N GLY A 12 4.689 9.315 -0.643 1.00 0.00 N ATOM 193 CA GLY A 12 4.005 10.145 -1.614 1.00 0.00 C ATOM 194 C GLY A 12 3.749 11.547 -1.100 1.00 0.00 C ATOM 195 O GLY A 12 4.365 12.014 -0.149 1.00 0.00 O ATOM 0 H GLY A 12 5.454 9.742 -0.121 1.00 0.00 H new ATOM 0 HA2 GLY A 12 4.601 10.199 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.056 9.680 -1.880 1.00 0.00 H new ATOM 199 N LYS A 13 2.792 12.188 -1.797 1.00 0.00 N ATOM 200 CA LYS A 13 2.070 11.593 -2.910 1.00 0.00 C ATOM 201 C LYS A 13 3.032 11.133 -4.007 1.00 0.00 C ATOM 202 O LYS A 13 3.730 11.919 -4.636 1.00 0.00 O ATOM 203 CB LYS A 13 1.056 12.597 -3.470 1.00 0.00 C ATOM 204 CG LYS A 13 1.688 13.771 -4.226 1.00 0.00 C ATOM 205 CD LYS A 13 2.600 14.633 -3.350 1.00 0.00 C ATOM 206 CE LYS A 13 3.043 15.903 -4.077 1.00 0.00 C ATOM 207 NZ LYS A 13 3.868 15.616 -5.244 1.00 0.00 N ATOM 0 H LYS A 13 2.504 13.145 -1.591 1.00 0.00 H new ATOM 0 HA LYS A 13 1.537 10.715 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 13 0.374 12.073 -4.140 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.457 12.989 -2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.263 13.385 -5.068 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.897 14.396 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.076 14.902 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.477 14.055 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.163 16.467 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.601 16.537 -3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.185 16.509 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.696 15.057 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.312 15.077 -5.938 1.00 0.00 H new ATOM 221 N ILE A 14 3.013 9.801 -4.183 1.00 0.00 N ATOM 222 CA ILE A 14 3.886 9.220 -5.180 1.00 0.00 C ATOM 223 C ILE A 14 3.053 8.794 -6.395 1.00 0.00 C ATOM 224 O ILE A 14 2.005 8.174 -6.260 1.00 0.00 O ATOM 225 CB ILE A 14 4.596 8.010 -4.572 1.00 0.00 C ATOM 226 CG1 ILE A 14 5.798 7.605 -5.418 1.00 0.00 C ATOM 227 CG2 ILE A 14 3.632 6.839 -4.392 1.00 0.00 C ATOM 228 CD1 ILE A 14 6.897 8.658 -5.311 1.00 0.00 C ATOM 0 H ILE A 14 2.427 9.144 -3.668 1.00 0.00 H new ATOM 0 HA ILE A 14 4.630 9.949 -5.501 1.00 0.00 H new ATOM 0 HB ILE A 14 4.959 8.295 -3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.177 6.639 -5.085 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.496 7.488 -6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.165 5.993 -3.958 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.819 7.135 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.223 6.552 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 14 7.750 8.357 -5.920 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.518 9.617 -5.666 1.00 0.00 H new ATOM 0 HD13 ILE A 14 7.209 8.754 -4.271 1.00 0.00 H new ATOM 240 N PRO A 15 3.564 9.156 -7.596 1.00 0.00 N ATOM 241 CA PRO A 15 2.910 8.801 -8.845 1.00 0.00 C ATOM 242 C PRO A 15 2.472 7.337 -8.893 1.00 0.00 C ATOM 243 O PRO A 15 3.270 6.419 -8.753 1.00 0.00 O ATOM 244 CB PRO A 15 3.965 9.084 -9.913 1.00 0.00 C ATOM 245 CG PRO A 15 4.896 10.127 -9.284 1.00 0.00 C ATOM 246 CD PRO A 15 4.808 9.892 -7.774 1.00 0.00 C ATOM 0 HA PRO A 15 1.990 9.370 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.510 8.178 -10.179 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.509 9.463 -10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.919 10.007 -9.641 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.584 11.139 -9.543 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.663 9.322 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 15 4.795 10.834 -7.225 1.00 0.00 H new ATOM 254 N ARG A 16 1.152 7.191 -9.096 1.00 0.00 N ATOM 255 CA ARG A 16 0.607 5.850 -9.150 1.00 0.00 C ATOM 256 C ARG A 16 1.517 4.934 -9.977 1.00 0.00 C ATOM 257 O ARG A 16 1.762 3.786 -9.628 1.00 0.00 O ATOM 258 CB ARG A 16 -0.790 5.907 -9.765 1.00 0.00 C ATOM 259 CG ARG A 16 -1.738 6.782 -8.945 1.00 0.00 C ATOM 260 CD ARG A 16 -3.134 6.848 -9.567 1.00 0.00 C ATOM 261 NE ARG A 16 -4.000 7.687 -8.760 1.00 0.00 N ATOM 262 CZ ARG A 16 -5.097 8.221 -9.329 1.00 0.00 C ATOM 263 NH1 ARG A 16 -5.375 7.981 -10.608 1.00 0.00 N ATOM 264 NH2 ARG A 16 -5.908 8.992 -8.610 1.00 0.00 N ATOM 0 H ARG A 16 0.482 7.950 -9.218 1.00 0.00 H new ATOM 0 HA ARG A 16 0.546 5.442 -8.141 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.724 6.296 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.197 4.898 -9.836 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.810 6.388 -7.931 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.327 7.789 -8.867 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.071 7.245 -10.580 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.554 5.845 -9.643 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.782 7.869 -7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.756 7.390 -11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.208 8.388 -11.034 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.698 9.178 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.740 9.397 -9.039 1.00 0.00 H new ATOM 278 N ALA A 17 2.001 5.518 -11.088 1.00 0.00 N ATOM 279 CA ALA A 17 2.882 4.747 -11.944 1.00 0.00 C ATOM 280 C ALA A 17 4.155 4.379 -11.180 1.00 0.00 C ATOM 281 O ALA A 17 4.472 3.214 -10.973 1.00 0.00 O ATOM 282 CB ALA A 17 3.234 5.563 -13.188 1.00 0.00 C ATOM 0 H ALA A 17 1.804 6.471 -11.393 1.00 0.00 H new ATOM 0 HA ALA A 17 2.377 3.831 -12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.896 4.981 -13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.322 5.807 -13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.735 6.484 -12.889 1.00 0.00 H new ATOM 288 N LYS A 18 4.861 5.453 -10.785 1.00 0.00 N ATOM 289 CA LYS A 18 6.118 5.238 -10.092 1.00 0.00 C ATOM 290 C LYS A 18 5.970 4.118 -9.061 1.00 0.00 C ATOM 291 O LYS A 18 6.814 3.238 -8.941 1.00 0.00 O ATOM 292 CB LYS A 18 6.563 6.528 -9.409 1.00 0.00 C ATOM 293 CG LYS A 18 7.942 6.367 -8.771 1.00 0.00 C ATOM 294 CD LYS A 18 9.030 6.138 -9.820 1.00 0.00 C ATOM 295 CE LYS A 18 10.410 5.973 -9.183 1.00 0.00 C ATOM 296 NZ LYS A 18 11.454 5.750 -10.176 1.00 0.00 N ATOM 0 H LYS A 18 4.592 6.426 -10.929 1.00 0.00 H new ATOM 0 HA LYS A 18 6.875 4.943 -10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.589 7.338 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.837 6.808 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.180 7.258 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.925 5.528 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.791 5.249 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.048 6.979 -10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.648 6.864 -8.602 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.389 5.135 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.371 5.644 -9.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.242 4.886 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.494 6.561 -10.826 1.00 0.00 H new ATOM 310 N ALA A 19 4.841 4.205 -8.335 1.00 0.00 N ATOM 311 CA ALA A 19 4.596 3.183 -7.338 1.00 0.00 C ATOM 312 C ALA A 19 4.816 1.809 -7.965 1.00 0.00 C ATOM 313 O ALA A 19 5.691 1.045 -7.574 1.00 0.00 O ATOM 314 CB ALA A 19 3.161 3.294 -6.820 1.00 0.00 C ATOM 0 H ALA A 19 4.130 4.932 -8.420 1.00 0.00 H new ATOM 0 HA ALA A 19 5.283 3.317 -6.502 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.984 2.522 -6.071 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.011 4.276 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.464 3.163 -7.648 1.00 0.00 H new ATOM 320 N GLU A 20 3.959 1.563 -8.970 1.00 0.00 N ATOM 321 CA GLU A 20 4.061 0.300 -9.673 1.00 0.00 C ATOM 322 C GLU A 20 5.526 -0.005 -9.985 1.00 0.00 C ATOM 323 O GLU A 20 6.111 -0.967 -9.504 1.00 0.00 O ATOM 324 CB GLU A 20 3.272 0.380 -10.981 1.00 0.00 C ATOM 325 CG GLU A 20 1.775 0.572 -10.737 1.00 0.00 C ATOM 326 CD GLU A 20 1.037 0.652 -12.074 1.00 0.00 C ATOM 327 OE1 GLU A 20 0.901 1.753 -12.605 1.00 0.00 O ATOM 328 OE2 GLU A 20 0.603 -0.388 -12.568 1.00 0.00 O ATOM 0 H GLU A 20 3.226 2.195 -9.293 1.00 0.00 H new ATOM 0 HA GLU A 20 3.654 -0.492 -9.045 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.650 1.207 -11.582 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.431 -0.532 -11.557 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.385 -0.256 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.605 1.483 -10.162 1.00 0.00 H new ATOM 335 N GLU A 21 6.057 0.884 -10.841 1.00 0.00 N ATOM 336 CA GLU A 21 7.407 0.689 -11.332 1.00 0.00 C ATOM 337 C GLU A 21 8.315 0.125 -10.235 1.00 0.00 C ATOM 338 O GLU A 21 8.526 -1.075 -10.129 1.00 0.00 O ATOM 339 CB GLU A 21 7.944 2.016 -11.863 1.00 0.00 C ATOM 340 CG GLU A 21 6.987 2.621 -12.890 1.00 0.00 C ATOM 341 CD GLU A 21 7.611 3.870 -13.515 1.00 0.00 C ATOM 342 OE1 GLU A 21 8.457 4.488 -12.872 1.00 0.00 O ATOM 343 OE2 GLU A 21 7.246 4.208 -14.640 1.00 0.00 O ATOM 0 H GLU A 21 5.581 1.715 -11.191 1.00 0.00 H new ATOM 0 HA GLU A 21 7.392 -0.039 -12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.084 2.713 -11.037 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.922 1.861 -12.319 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.763 1.889 -13.666 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.042 2.877 -12.412 1.00 0.00 H new ATOM 350 N MET A 22 8.854 1.069 -9.444 1.00 0.00 N ATOM 351 CA MET A 22 9.797 0.635 -8.430 1.00 0.00 C ATOM 352 C MET A 22 9.222 -0.549 -7.643 1.00 0.00 C ATOM 353 O MET A 22 9.856 -1.587 -7.509 1.00 0.00 O ATOM 354 CB MET A 22 10.159 1.816 -7.522 1.00 0.00 C ATOM 355 CG MET A 22 8.972 2.349 -6.718 1.00 0.00 C ATOM 356 SD MET A 22 9.405 3.864 -5.847 1.00 0.00 S ATOM 357 CE MET A 22 7.813 4.166 -5.063 1.00 0.00 C ATOM 0 H MET A 22 8.663 2.070 -9.487 1.00 0.00 H new ATOM 0 HA MET A 22 10.716 0.289 -8.904 1.00 0.00 H new ATOM 0 HB2 MET A 22 10.946 1.508 -6.834 1.00 0.00 H new ATOM 0 HB3 MET A 22 10.567 2.622 -8.132 1.00 0.00 H new ATOM 0 HG2 MET A 22 8.132 2.538 -7.386 1.00 0.00 H new ATOM 0 HG3 MET A 22 8.646 1.595 -6.002 1.00 0.00 H new ATOM 0 HE1 MET A 22 7.939 4.877 -4.247 1.00 0.00 H new ATOM 0 HE2 MET A 22 7.118 4.574 -5.797 1.00 0.00 H new ATOM 0 HE3 MET A 22 7.417 3.229 -4.670 1.00 0.00 H new ATOM 367 N LEU A 23 7.995 -0.344 -7.136 1.00 0.00 N ATOM 368 CA LEU A 23 7.428 -1.407 -6.318 1.00 0.00 C ATOM 369 C LEU A 23 7.496 -2.785 -7.003 1.00 0.00 C ATOM 370 O LEU A 23 7.458 -3.819 -6.347 1.00 0.00 O ATOM 371 CB LEU A 23 5.971 -1.096 -5.996 1.00 0.00 C ATOM 372 CG LEU A 23 5.345 -2.202 -5.146 1.00 0.00 C ATOM 373 CD1 LEU A 23 6.162 -2.446 -3.877 1.00 0.00 C ATOM 374 CD2 LEU A 23 3.899 -1.855 -4.796 1.00 0.00 C ATOM 0 H LEU A 23 7.418 0.487 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 23 8.026 -1.452 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.908 -0.146 -5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.407 -0.982 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 23 5.348 -3.122 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.695 -3.237 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.175 -2.744 -4.148 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.199 -1.530 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.469 -2.653 -4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.875 -0.921 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.320 -1.743 -5.712 1.00 0.00 H new ATOM 386 N SER A 24 7.590 -2.743 -8.344 1.00 0.00 N ATOM 387 CA SER A 24 7.666 -4.009 -9.064 1.00 0.00 C ATOM 388 C SER A 24 9.111 -4.539 -9.103 1.00 0.00 C ATOM 389 O SER A 24 9.357 -5.738 -9.066 1.00 0.00 O ATOM 390 CB SER A 24 7.121 -3.850 -10.485 1.00 0.00 C ATOM 391 OG SER A 24 7.950 -3.019 -11.256 1.00 0.00 O ATOM 0 H SER A 24 7.614 -1.898 -8.915 1.00 0.00 H new ATOM 0 HA SER A 24 7.052 -4.735 -8.531 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.041 -4.829 -10.958 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.115 -3.431 -10.447 1.00 0.00 H new ATOM 0 HG SER A 24 7.888 -2.098 -10.926 1.00 0.00 H new ATOM 397 N LYS A 25 10.040 -3.565 -9.156 1.00 0.00 N ATOM 398 CA LYS A 25 11.453 -3.849 -9.029 1.00 0.00 C ATOM 399 C LYS A 25 11.739 -4.884 -7.914 1.00 0.00 C ATOM 400 O LYS A 25 12.739 -5.590 -7.942 1.00 0.00 O ATOM 401 CB LYS A 25 12.102 -2.499 -8.712 1.00 0.00 C ATOM 402 CG LYS A 25 12.334 -2.291 -7.221 1.00 0.00 C ATOM 403 CD LYS A 25 12.495 -0.806 -6.941 1.00 0.00 C ATOM 404 CE LYS A 25 12.843 -0.513 -5.481 1.00 0.00 C ATOM 405 NZ LYS A 25 11.774 -0.895 -4.567 1.00 0.00 N ATOM 0 H LYS A 25 9.820 -2.578 -9.287 1.00 0.00 H new ATOM 0 HA LYS A 25 11.853 -4.294 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.055 -2.427 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.468 -1.698 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.495 -2.692 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.224 -2.832 -6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.277 -0.402 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.571 -0.290 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.754 -1.048 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.052 0.551 -5.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.185 -1.230 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.165 -0.073 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.208 -1.656 -4.994 1.00 0.00 H new ATOM 419 N GLN A 26 10.804 -4.920 -6.940 1.00 0.00 N ATOM 420 CA GLN A 26 10.931 -5.796 -5.796 1.00 0.00 C ATOM 421 C GLN A 26 11.103 -7.244 -6.254 1.00 0.00 C ATOM 422 O GLN A 26 10.806 -7.609 -7.385 1.00 0.00 O ATOM 423 CB GLN A 26 9.674 -5.641 -4.937 1.00 0.00 C ATOM 424 CG GLN A 26 9.546 -4.217 -4.396 1.00 0.00 C ATOM 425 CD GLN A 26 10.704 -3.910 -3.445 1.00 0.00 C ATOM 426 OE1 GLN A 26 11.613 -4.708 -3.251 1.00 0.00 O ATOM 427 NE2 GLN A 26 10.600 -2.701 -2.865 1.00 0.00 N ATOM 0 H GLN A 26 9.961 -4.346 -6.939 1.00 0.00 H new ATOM 0 HA GLN A 26 11.812 -5.530 -5.211 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.793 -5.888 -5.529 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.708 -6.346 -4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.544 -3.505 -5.221 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.596 -4.102 -3.874 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.808 -2.097 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.314 -2.388 -2.207 1.00 0.00 H new ATOM 436 N ARG A 27 11.616 -8.032 -5.292 1.00 0.00 N ATOM 437 CA ARG A 27 11.836 -9.434 -5.587 1.00 0.00 C ATOM 438 C ARG A 27 10.997 -10.308 -4.645 1.00 0.00 C ATOM 439 O ARG A 27 10.401 -11.299 -5.050 1.00 0.00 O ATOM 440 CB ARG A 27 13.317 -9.779 -5.428 1.00 0.00 C ATOM 441 CG ARG A 27 14.208 -9.092 -6.466 1.00 0.00 C ATOM 442 CD ARG A 27 14.410 -7.601 -6.192 1.00 0.00 C ATOM 443 NE ARG A 27 15.373 -7.053 -7.129 1.00 0.00 N ATOM 444 CZ ARG A 27 15.999 -5.903 -6.813 1.00 0.00 C ATOM 445 NH1 ARG A 27 15.736 -5.288 -5.663 1.00 0.00 N ATOM 446 NH2 ARG A 27 16.886 -5.379 -7.656 1.00 0.00 N ATOM 0 H ARG A 27 11.871 -7.730 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 27 11.534 -9.626 -6.617 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.646 -9.492 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.443 -10.859 -5.507 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.179 -9.586 -6.486 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.766 -9.217 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 27 13.460 -7.074 -6.283 1.00 0.00 H new ATOM 0 HD3 ARG A 27 14.760 -7.454 -5.170 1.00 0.00 H new ATOM 0 HE ARG A 27 15.572 -7.529 -8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.057 -5.687 -5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.213 -4.417 -5.429 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.090 -5.848 -8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.362 -4.508 -7.420 1.00 0.00 H new ATOM 460 N HIS A 28 10.994 -9.877 -3.370 1.00 0.00 N ATOM 461 CA HIS A 28 10.250 -10.642 -2.388 1.00 0.00 C ATOM 462 C HIS A 28 8.809 -10.135 -2.324 1.00 0.00 C ATOM 463 O HIS A 28 8.517 -9.062 -1.812 1.00 0.00 O ATOM 464 CB HIS A 28 10.912 -10.516 -1.014 1.00 0.00 C ATOM 465 CG HIS A 28 12.294 -11.125 -1.048 1.00 0.00 C ATOM 466 ND1 HIS A 28 13.091 -11.146 -2.140 1.00 0.00 N ATOM 467 CD2 HIS A 28 12.977 -11.754 0.007 1.00 0.00 C ATOM 468 CE1 HIS A 28 14.220 -11.768 -1.759 1.00 0.00 C ATOM 469 NE2 HIS A 28 14.180 -12.146 -0.469 1.00 0.00 N ATOM 0 H HIS A 28 11.474 -9.048 -3.021 1.00 0.00 H new ATOM 0 HA HIS A 28 10.247 -11.692 -2.681 1.00 0.00 H new ATOM 0 HB2 HIS A 28 10.975 -9.466 -0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.304 -11.017 -0.261 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.609 -11.898 1.012 1.00 0.00 H new ATOM 0 HE1 HIS A 28 15.061 -11.944 -2.413 1.00 0.00 H new ATOM 0 HE2 HIS A 28 14.913 -12.632 0.048 1.00 0.00 H new ATOM 477 N ASP A 29 7.935 -10.997 -2.874 1.00 0.00 N ATOM 478 CA ASP A 29 6.522 -10.669 -2.853 1.00 0.00 C ATOM 479 C ASP A 29 6.117 -10.220 -1.448 1.00 0.00 C ATOM 480 O ASP A 29 6.327 -10.917 -0.463 1.00 0.00 O ATOM 481 CB ASP A 29 5.715 -11.903 -3.266 1.00 0.00 C ATOM 482 CG ASP A 29 4.217 -11.588 -3.289 1.00 0.00 C ATOM 483 OD1 ASP A 29 3.742 -10.910 -2.380 1.00 0.00 O ATOM 484 OD2 ASP A 29 3.542 -12.026 -4.219 1.00 0.00 O ATOM 0 H ASP A 29 8.178 -11.883 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 29 6.321 -9.856 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.036 -12.240 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.909 -12.720 -2.571 1.00 0.00 H new ATOM 489 N GLY A 30 5.519 -9.015 -1.427 1.00 0.00 N ATOM 490 CA GLY A 30 5.042 -8.529 -0.144 1.00 0.00 C ATOM 491 C GLY A 30 5.330 -7.033 0.062 1.00 0.00 C ATOM 492 O GLY A 30 4.599 -6.336 0.756 1.00 0.00 O ATOM 0 H GLY A 30 5.366 -8.404 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.969 -8.703 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.514 -9.100 0.656 1.00 0.00 H new ATOM 496 N ALA A 31 6.429 -6.582 -0.575 1.00 0.00 N ATOM 497 CA ALA A 31 6.777 -5.182 -0.417 1.00 0.00 C ATOM 498 C ALA A 31 5.530 -4.326 -0.641 1.00 0.00 C ATOM 499 O ALA A 31 4.724 -4.588 -1.526 1.00 0.00 O ATOM 500 CB ALA A 31 7.866 -4.807 -1.420 1.00 0.00 C ATOM 0 H ALA A 31 7.049 -7.137 -1.166 1.00 0.00 H new ATOM 0 HA ALA A 31 7.155 -5.006 0.590 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.125 -3.755 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.749 -5.421 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.502 -4.977 -2.433 1.00 0.00 H new ATOM 506 N PHE A 32 5.408 -3.303 0.228 1.00 0.00 N ATOM 507 CA PHE A 32 4.181 -2.534 0.140 1.00 0.00 C ATOM 508 C PHE A 32 4.433 -1.044 0.388 1.00 0.00 C ATOM 509 O PHE A 32 5.383 -0.644 1.050 1.00 0.00 O ATOM 510 CB PHE A 32 3.166 -3.069 1.157 1.00 0.00 C ATOM 511 CG PHE A 32 3.602 -2.799 2.570 1.00 0.00 C ATOM 512 CD1 PHE A 32 4.565 -3.656 3.211 1.00 0.00 C ATOM 513 CD2 PHE A 32 3.062 -1.673 3.290 1.00 0.00 C ATOM 514 CE1 PHE A 32 4.991 -3.388 4.559 1.00 0.00 C ATOM 515 CE2 PHE A 32 3.485 -1.405 4.639 1.00 0.00 C ATOM 516 CZ PHE A 32 4.450 -2.262 5.272 1.00 0.00 C ATOM 0 H PHE A 32 6.085 -3.017 0.935 1.00 0.00 H new ATOM 0 HA PHE A 32 3.784 -2.641 -0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.195 -2.606 0.981 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.038 -4.142 1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.969 -4.504 2.678 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.337 -1.028 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.716 -4.032 5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.078 -0.561 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.769 -2.060 6.284 1.00 0.00 H new ATOM 526 N LEU A 33 3.489 -0.264 -0.168 1.00 0.00 N ATOM 527 CA LEU A 33 3.480 1.144 0.177 1.00 0.00 C ATOM 528 C LEU A 33 2.043 1.653 0.183 1.00 0.00 C ATOM 529 O LEU A 33 1.179 1.162 -0.533 1.00 0.00 O ATOM 530 CB LEU A 33 4.358 1.972 -0.769 1.00 0.00 C ATOM 531 CG LEU A 33 3.938 1.943 -2.243 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.759 2.881 -2.526 1.00 0.00 C ATOM 533 CD2 LEU A 33 5.122 2.356 -3.120 1.00 0.00 C ATOM 0 H LEU A 33 2.767 -0.572 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 33 3.906 1.258 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.356 3.007 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.384 1.613 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 33 3.623 0.925 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.497 2.827 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.902 2.580 -1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.039 3.904 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.823 2.335 -4.168 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.439 3.364 -2.853 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.949 1.663 -2.965 1.00 0.00 H new ATOM 545 N ILE A 34 1.850 2.671 1.037 1.00 0.00 N ATOM 546 CA ILE A 34 0.556 3.323 1.022 1.00 0.00 C ATOM 547 C ILE A 34 0.728 4.733 0.460 1.00 0.00 C ATOM 548 O ILE A 34 1.300 5.617 1.086 1.00 0.00 O ATOM 549 CB ILE A 34 -0.032 3.354 2.431 1.00 0.00 C ATOM 550 CG1 ILE A 34 -0.346 1.937 2.910 1.00 0.00 C ATOM 551 CG2 ILE A 34 -1.291 4.221 2.469 1.00 0.00 C ATOM 552 CD1 ILE A 34 -0.899 1.931 4.336 1.00 0.00 C ATOM 0 H ILE A 34 2.532 3.034 1.702 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.139 2.771 0.389 1.00 0.00 H new ATOM 0 HB ILE A 34 0.707 3.791 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.070 1.478 2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.558 1.330 2.868 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.696 4.231 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.041 5.238 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.035 3.813 1.785 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.110 0.906 4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.164 2.367 5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.818 2.516 4.372 1.00 0.00 H new ATOM 564 N ARG A 35 0.213 4.865 -0.776 1.00 0.00 N ATOM 565 CA ARG A 35 0.470 6.107 -1.478 1.00 0.00 C ATOM 566 C ARG A 35 -0.657 7.108 -1.239 1.00 0.00 C ATOM 567 O ARG A 35 -1.837 6.785 -1.289 1.00 0.00 O ATOM 568 CB ARG A 35 0.636 5.839 -2.973 1.00 0.00 C ATOM 569 CG ARG A 35 -0.631 5.258 -3.594 1.00 0.00 C ATOM 570 CD ARG A 35 -0.410 4.842 -5.049 1.00 0.00 C ATOM 571 NE ARG A 35 -1.640 4.316 -5.610 1.00 0.00 N ATOM 572 CZ ARG A 35 -1.583 3.640 -6.772 1.00 0.00 C ATOM 573 NH1 ARG A 35 -0.418 3.459 -7.388 1.00 0.00 N ATOM 574 NH2 ARG A 35 -2.697 3.149 -7.307 1.00 0.00 N ATOM 0 H ARG A 35 -0.346 4.171 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 35 1.394 6.538 -1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.896 6.768 -3.481 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.465 5.148 -3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.957 4.394 -3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.432 5.996 -3.544 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.072 5.698 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.376 4.088 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.531 4.456 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.438 3.833 -6.980 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.381 2.946 -8.269 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.592 3.285 -6.837 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.657 2.636 -8.188 1.00 0.00 H new ATOM 588 N GLU A 36 -0.199 8.345 -0.979 1.00 0.00 N ATOM 589 CA GLU A 36 -1.185 9.392 -0.783 1.00 0.00 C ATOM 590 C GLU A 36 -1.479 10.080 -2.118 1.00 0.00 C ATOM 591 O GLU A 36 -0.585 10.512 -2.835 1.00 0.00 O ATOM 592 CB GLU A 36 -0.679 10.411 0.238 1.00 0.00 C ATOM 593 CG GLU A 36 0.588 11.120 -0.240 1.00 0.00 C ATOM 594 CD GLU A 36 1.062 12.116 0.820 1.00 0.00 C ATOM 595 OE1 GLU A 36 0.306 13.031 1.146 1.00 0.00 O ATOM 596 OE2 GLU A 36 2.182 11.967 1.307 1.00 0.00 O ATOM 0 H GLU A 36 0.780 8.622 -0.905 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.105 8.948 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.457 11.150 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.478 9.908 1.184 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.371 10.388 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.392 11.640 -1.178 1.00 0.00 H new ATOM 603 N SER A 37 -2.793 10.146 -2.402 1.00 0.00 N ATOM 604 CA SER A 37 -3.193 10.766 -3.646 1.00 0.00 C ATOM 605 C SER A 37 -2.599 12.173 -3.739 1.00 0.00 C ATOM 606 O SER A 37 -1.699 12.546 -2.995 1.00 0.00 O ATOM 607 CB SER A 37 -4.718 10.827 -3.703 1.00 0.00 C ATOM 608 OG SER A 37 -5.269 9.538 -3.612 1.00 0.00 O ATOM 0 H SER A 37 -3.548 9.794 -1.813 1.00 0.00 H new ATOM 0 HA SER A 37 -2.824 10.180 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.093 11.447 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.034 11.298 -4.634 1.00 0.00 H new ATOM 0 HG SER A 37 -6.128 9.515 -4.083 1.00 0.00 H new ATOM 614 N GLU A 38 -3.169 12.924 -4.698 1.00 0.00 N ATOM 615 CA GLU A 38 -2.698 14.278 -4.892 1.00 0.00 C ATOM 616 C GLU A 38 -3.360 15.202 -3.859 1.00 0.00 C ATOM 617 O GLU A 38 -2.931 15.290 -2.715 1.00 0.00 O ATOM 618 CB GLU A 38 -3.001 14.718 -6.326 1.00 0.00 C ATOM 619 CG GLU A 38 -2.212 13.925 -7.372 1.00 0.00 C ATOM 620 CD GLU A 38 -2.641 12.457 -7.376 1.00 0.00 C ATOM 621 OE1 GLU A 38 -3.841 12.195 -7.309 1.00 0.00 O ATOM 622 OE2 GLU A 38 -1.770 11.591 -7.440 1.00 0.00 O ATOM 0 H GLU A 38 -3.921 12.622 -5.317 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.619 14.331 -4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.068 14.602 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.771 15.778 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.371 14.358 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.145 13.996 -7.161 1.00 0.00 H new ATOM 629 N SER A 39 -4.422 15.879 -4.332 1.00 0.00 N ATOM 630 CA SER A 39 -5.124 16.769 -3.427 1.00 0.00 C ATOM 631 C SER A 39 -6.309 16.037 -2.785 1.00 0.00 C ATOM 632 O SER A 39 -7.408 16.564 -2.673 1.00 0.00 O ATOM 633 CB SER A 39 -5.617 17.999 -4.189 1.00 0.00 C ATOM 634 OG SER A 39 -6.275 18.888 -3.324 1.00 0.00 O ATOM 0 H SER A 39 -4.788 15.826 -5.283 1.00 0.00 H new ATOM 0 HA SER A 39 -4.441 17.089 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.774 18.502 -4.663 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.294 17.692 -4.986 1.00 0.00 H new ATOM 0 HG SER A 39 -7.005 18.420 -2.868 1.00 0.00 H new ATOM 640 N ALA A 40 -6.006 14.789 -2.380 1.00 0.00 N ATOM 641 CA ALA A 40 -7.052 13.991 -1.774 1.00 0.00 C ATOM 642 C ALA A 40 -6.466 13.177 -0.614 1.00 0.00 C ATOM 643 O ALA A 40 -5.927 12.094 -0.805 1.00 0.00 O ATOM 644 CB ALA A 40 -7.648 13.049 -2.820 1.00 0.00 C ATOM 0 H ALA A 40 -5.092 14.343 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.836 14.646 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.435 12.449 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.067 13.633 -3.639 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.868 12.392 -3.205 1.00 0.00 H new ATOM 650 N PRO A 41 -6.594 13.753 0.603 1.00 0.00 N ATOM 651 CA PRO A 41 -6.043 13.141 1.810 1.00 0.00 C ATOM 652 C PRO A 41 -6.850 11.950 2.361 1.00 0.00 C ATOM 653 O PRO A 41 -6.440 11.290 3.308 1.00 0.00 O ATOM 654 CB PRO A 41 -6.090 14.275 2.831 1.00 0.00 C ATOM 655 CG PRO A 41 -7.213 15.200 2.359 1.00 0.00 C ATOM 656 CD PRO A 41 -7.257 15.030 0.839 1.00 0.00 C ATOM 0 HA PRO A 41 -5.056 12.729 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.290 13.894 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.138 14.804 2.875 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -8.165 14.928 2.814 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.013 16.235 2.634 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.282 15.021 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.742 15.846 0.332 1.00 0.00 H new ATOM 664 N GLY A 42 -8.001 11.709 1.709 1.00 0.00 N ATOM 665 CA GLY A 42 -8.813 10.577 2.116 1.00 0.00 C ATOM 666 C GLY A 42 -8.768 9.464 1.063 1.00 0.00 C ATOM 667 O GLY A 42 -9.767 8.817 0.770 1.00 0.00 O ATOM 0 H GLY A 42 -8.368 12.262 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.456 10.193 3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.843 10.899 2.267 1.00 0.00 H new ATOM 671 N ASP A 43 -7.551 9.287 0.516 1.00 0.00 N ATOM 672 CA ASP A 43 -7.396 8.261 -0.496 1.00 0.00 C ATOM 673 C ASP A 43 -6.030 7.591 -0.344 1.00 0.00 C ATOM 674 O ASP A 43 -4.992 8.157 -0.667 1.00 0.00 O ATOM 675 CB ASP A 43 -7.524 8.884 -1.886 1.00 0.00 C ATOM 676 CG ASP A 43 -7.389 7.801 -2.957 1.00 0.00 C ATOM 677 OD1 ASP A 43 -7.368 6.624 -2.602 1.00 0.00 O ATOM 678 OD2 ASP A 43 -7.304 8.146 -4.135 1.00 0.00 O ATOM 0 H ASP A 43 -6.711 9.816 0.750 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.176 7.510 -0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.487 9.385 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.755 9.644 -2.026 1.00 0.00 H new ATOM 683 N PHE A 44 -6.107 6.350 0.166 1.00 0.00 N ATOM 684 CA PHE A 44 -4.877 5.612 0.373 1.00 0.00 C ATOM 685 C PHE A 44 -5.039 4.188 -0.161 1.00 0.00 C ATOM 686 O PHE A 44 -5.896 3.429 0.275 1.00 0.00 O ATOM 687 CB PHE A 44 -4.548 5.581 1.866 1.00 0.00 C ATOM 688 CG PHE A 44 -4.360 6.965 2.411 1.00 0.00 C ATOM 689 CD1 PHE A 44 -3.639 7.954 1.651 1.00 0.00 C ATOM 690 CD2 PHE A 44 -4.899 7.317 3.700 1.00 0.00 C ATOM 691 CE1 PHE A 44 -3.458 9.282 2.173 1.00 0.00 C ATOM 692 CE2 PHE A 44 -4.720 8.645 4.225 1.00 0.00 C ATOM 693 CZ PHE A 44 -3.999 9.627 3.460 1.00 0.00 C ATOM 0 H PHE A 44 -6.967 5.867 0.427 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.062 6.100 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.351 5.081 2.407 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.642 4.997 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.232 7.697 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.440 6.580 4.275 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.916 10.019 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.126 8.904 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.864 10.624 3.852 1.00 0.00 H new ATOM 703 N SER A 45 -4.159 3.882 -1.132 1.00 0.00 N ATOM 704 CA SER A 45 -4.212 2.552 -1.706 1.00 0.00 C ATOM 705 C SER A 45 -2.935 1.786 -1.349 1.00 0.00 C ATOM 706 O SER A 45 -1.821 2.240 -1.582 1.00 0.00 O ATOM 707 CB SER A 45 -4.374 2.648 -3.224 1.00 0.00 C ATOM 708 OG SER A 45 -3.293 3.340 -3.795 1.00 0.00 O ATOM 0 H SER A 45 -3.446 4.506 -1.510 1.00 0.00 H new ATOM 0 HA SER A 45 -5.068 2.014 -1.299 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.439 1.648 -3.652 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.307 3.158 -3.464 1.00 0.00 H new ATOM 0 HG SER A 45 -2.516 2.745 -3.849 1.00 0.00 H new ATOM 714 N LEU A 46 -3.184 0.603 -0.759 1.00 0.00 N ATOM 715 CA LEU A 46 -2.058 -0.202 -0.324 1.00 0.00 C ATOM 716 C LEU A 46 -1.555 -1.053 -1.492 1.00 0.00 C ATOM 717 O LEU A 46 -2.258 -1.905 -2.022 1.00 0.00 O ATOM 718 CB LEU A 46 -2.493 -1.087 0.846 1.00 0.00 C ATOM 719 CG LEU A 46 -1.312 -1.611 1.666 1.00 0.00 C ATOM 720 CD1 LEU A 46 -1.802 -2.191 2.993 1.00 0.00 C ATOM 721 CD2 LEU A 46 -0.509 -2.659 0.897 1.00 0.00 C ATOM 0 H LEU A 46 -4.108 0.209 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.244 0.443 0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.158 -0.519 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.066 -1.931 0.463 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.651 -0.768 1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.951 -2.560 3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.313 -1.415 3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.492 -3.012 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.320 -3.006 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.154 -3.502 0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.120 -2.218 -0.021 1.00 0.00 H new ATOM 733 N SER A 47 -0.294 -0.760 -1.851 1.00 0.00 N ATOM 734 CA SER A 47 0.294 -1.495 -2.954 1.00 0.00 C ATOM 735 C SER A 47 1.096 -2.679 -2.410 1.00 0.00 C ATOM 736 O SER A 47 1.715 -2.609 -1.356 1.00 0.00 O ATOM 737 CB SER A 47 1.201 -0.570 -3.767 1.00 0.00 C ATOM 738 OG SER A 47 0.473 0.524 -4.266 1.00 0.00 O ATOM 0 H SER A 47 0.301 -0.057 -1.414 1.00 0.00 H new ATOM 0 HA SER A 47 -0.497 -1.870 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.020 -0.214 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.648 -1.124 -4.593 1.00 0.00 H new ATOM 0 HG SER A 47 1.069 1.106 -4.782 1.00 0.00 H new ATOM 744 N VAL A 48 1.034 -3.767 -3.198 1.00 0.00 N ATOM 745 CA VAL A 48 1.770 -4.950 -2.796 1.00 0.00 C ATOM 746 C VAL A 48 2.166 -5.756 -4.032 1.00 0.00 C ATOM 747 O VAL A 48 1.356 -6.038 -4.905 1.00 0.00 O ATOM 748 CB VAL A 48 0.906 -5.821 -1.882 1.00 0.00 C ATOM 749 CG1 VAL A 48 1.612 -7.140 -1.559 1.00 0.00 C ATOM 750 CG2 VAL A 48 0.547 -5.068 -0.603 1.00 0.00 C ATOM 0 H VAL A 48 0.508 -3.842 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 48 2.666 -4.640 -2.258 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.019 -6.056 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.978 -7.742 -0.908 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.805 -7.685 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.557 -6.933 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.068 -5.704 0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.460 -4.797 -0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.008 -4.164 -0.856 1.00 0.00 H new ATOM 760 N LYS A 49 3.463 -6.115 -4.039 1.00 0.00 N ATOM 761 CA LYS A 49 3.894 -6.982 -5.117 1.00 0.00 C ATOM 762 C LYS A 49 3.410 -8.403 -4.818 1.00 0.00 C ATOM 763 O LYS A 49 3.921 -9.086 -3.939 1.00 0.00 O ATOM 764 CB LYS A 49 5.415 -6.941 -5.253 1.00 0.00 C ATOM 765 CG LYS A 49 5.894 -7.817 -6.411 1.00 0.00 C ATOM 766 CD LYS A 49 7.397 -7.701 -6.653 1.00 0.00 C ATOM 767 CE LYS A 49 7.868 -8.653 -7.752 1.00 0.00 C ATOM 768 NZ LYS A 49 7.268 -8.347 -9.045 1.00 0.00 N ATOM 0 H LYS A 49 4.173 -5.838 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 49 3.469 -6.645 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.740 -5.913 -5.413 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.874 -7.279 -4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.643 -8.857 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.361 -7.536 -7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.643 -6.676 -6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.932 -7.919 -5.729 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.953 -8.599 -7.836 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.621 -9.677 -7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.717 -8.928 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.249 -8.554 -9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.409 -7.340 -9.264 1.00 0.00 H new ATOM 782 N PHE A 50 2.375 -8.784 -5.589 1.00 0.00 N ATOM 783 CA PHE A 50 1.722 -10.044 -5.278 1.00 0.00 C ATOM 784 C PHE A 50 2.117 -11.142 -6.271 1.00 0.00 C ATOM 785 O PHE A 50 1.309 -11.977 -6.656 1.00 0.00 O ATOM 786 CB PHE A 50 0.201 -9.857 -5.239 1.00 0.00 C ATOM 787 CG PHE A 50 -0.436 -9.736 -6.597 1.00 0.00 C ATOM 788 CD1 PHE A 50 0.329 -9.372 -7.764 1.00 0.00 C ATOM 789 CD2 PHE A 50 -1.847 -9.993 -6.733 1.00 0.00 C ATOM 790 CE1 PHE A 50 -0.310 -9.264 -9.049 1.00 0.00 C ATOM 791 CE2 PHE A 50 -2.490 -9.885 -8.015 1.00 0.00 C ATOM 792 CZ PHE A 50 -1.720 -9.520 -9.173 1.00 0.00 C ATOM 0 H PHE A 50 1.999 -8.266 -6.383 1.00 0.00 H new ATOM 0 HA PHE A 50 2.058 -10.365 -4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.245 -10.701 -4.714 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.030 -8.963 -4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.388 -9.179 -7.673 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.427 -10.269 -5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.268 -8.991 -9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.549 -10.078 -8.108 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.201 -9.438 -10.137 1.00 0.00 H new ATOM 802 N GLY A 51 3.405 -11.088 -6.658 1.00 0.00 N ATOM 803 CA GLY A 51 3.867 -12.114 -7.571 1.00 0.00 C ATOM 804 C GLY A 51 4.698 -11.503 -8.699 1.00 0.00 C ATOM 805 O GLY A 51 5.899 -11.290 -8.580 1.00 0.00 O ATOM 0 H GLY A 51 4.092 -10.392 -6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.465 -12.847 -7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.013 -12.646 -7.990 1.00 0.00 H new ATOM 809 N ASN A 52 3.972 -11.259 -9.804 1.00 0.00 N ATOM 810 CA ASN A 52 4.651 -10.736 -10.976 1.00 0.00 C ATOM 811 C ASN A 52 4.314 -9.254 -11.205 1.00 0.00 C ATOM 812 O ASN A 52 5.126 -8.492 -11.714 1.00 0.00 O ATOM 813 CB ASN A 52 4.247 -11.556 -12.201 1.00 0.00 C ATOM 814 CG ASN A 52 5.012 -11.068 -13.434 1.00 0.00 C ATOM 815 OD1 ASN A 52 5.459 -9.930 -13.510 1.00 0.00 O ATOM 816 ND2 ASN A 52 5.136 -12.013 -14.383 1.00 0.00 N ATOM 0 H ASN A 52 2.968 -11.409 -9.900 1.00 0.00 H new ATOM 0 HA ASN A 52 5.726 -10.812 -10.814 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.456 -12.612 -12.027 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.174 -11.467 -12.370 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.634 -11.805 -15.248 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.732 -12.938 -14.237 1.00 0.00 H new ATOM 823 N ASP A 53 3.078 -8.889 -10.807 1.00 0.00 N ATOM 824 CA ASP A 53 2.670 -7.515 -11.028 1.00 0.00 C ATOM 825 C ASP A 53 2.319 -6.864 -9.687 1.00 0.00 C ATOM 826 O ASP A 53 2.462 -7.454 -8.623 1.00 0.00 O ATOM 827 CB ASP A 53 1.488 -7.479 -12.000 1.00 0.00 C ATOM 828 CG ASP A 53 1.216 -6.047 -12.472 1.00 0.00 C ATOM 829 OD1 ASP A 53 2.122 -5.433 -13.033 1.00 0.00 O ATOM 830 OD2 ASP A 53 0.103 -5.565 -12.271 1.00 0.00 O ATOM 0 H ASP A 53 2.391 -9.495 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 53 3.487 -6.949 -11.474 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.698 -8.116 -12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.599 -7.882 -11.514 1.00 0.00 H new ATOM 835 N VAL A 54 1.865 -5.606 -9.818 1.00 0.00 N ATOM 836 CA VAL A 54 1.592 -4.841 -8.617 1.00 0.00 C ATOM 837 C VAL A 54 0.091 -4.843 -8.319 1.00 0.00 C ATOM 838 O VAL A 54 -0.732 -4.434 -9.128 1.00 0.00 O ATOM 839 CB VAL A 54 2.098 -3.411 -8.807 1.00 0.00 C ATOM 840 CG1 VAL A 54 1.799 -2.562 -7.573 1.00 0.00 C ATOM 841 CG2 VAL A 54 3.593 -3.412 -9.123 1.00 0.00 C ATOM 0 H VAL A 54 1.690 -5.127 -10.701 1.00 0.00 H new ATOM 0 HA VAL A 54 2.107 -5.295 -7.771 1.00 0.00 H new ATOM 0 HB VAL A 54 1.572 -2.968 -9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.168 -1.548 -7.731 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.723 -2.534 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.293 -2.997 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.938 -2.386 -9.255 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.138 -3.875 -8.301 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.771 -3.976 -10.039 1.00 0.00 H new ATOM 851 N GLN A 55 -0.197 -5.328 -7.097 1.00 0.00 N ATOM 852 CA GLN A 55 -1.583 -5.344 -6.674 1.00 0.00 C ATOM 853 C GLN A 55 -1.866 -4.117 -5.809 1.00 0.00 C ATOM 854 O GLN A 55 -0.969 -3.485 -5.264 1.00 0.00 O ATOM 855 CB GLN A 55 -1.881 -6.629 -5.901 1.00 0.00 C ATOM 856 CG GLN A 55 -3.345 -6.718 -5.470 1.00 0.00 C ATOM 857 CD GLN A 55 -3.608 -8.078 -4.821 1.00 0.00 C ATOM 858 OE1 GLN A 55 -4.651 -8.694 -5.009 1.00 0.00 O ATOM 859 NE2 GLN A 55 -2.587 -8.502 -4.056 1.00 0.00 N ATOM 0 H GLN A 55 0.480 -5.693 -6.427 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.230 -5.314 -7.550 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.634 -7.490 -6.522 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.241 -6.678 -5.020 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.577 -5.918 -4.767 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.997 -6.583 -6.333 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.752 -7.925 -3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.647 -9.401 -3.578 1.00 0.00 H new ATOM 868 N HIS A 56 -3.175 -3.819 -5.742 1.00 0.00 N ATOM 869 CA HIS A 56 -3.561 -2.620 -5.026 1.00 0.00 C ATOM 870 C HIS A 56 -4.825 -2.871 -4.202 1.00 0.00 C ATOM 871 O HIS A 56 -5.795 -3.461 -4.663 1.00 0.00 O ATOM 872 CB HIS A 56 -3.802 -1.485 -6.023 1.00 0.00 C ATOM 873 CG HIS A 56 -4.934 -1.855 -6.951 1.00 0.00 C ATOM 874 ND1 HIS A 56 -4.766 -2.505 -8.123 1.00 0.00 N ATOM 875 CD2 HIS A 56 -6.305 -1.605 -6.774 1.00 0.00 C ATOM 876 CE1 HIS A 56 -5.999 -2.644 -8.643 1.00 0.00 C ATOM 877 NE2 HIS A 56 -6.948 -2.111 -7.851 1.00 0.00 N ATOM 0 H HIS A 56 -3.934 -4.363 -6.152 1.00 0.00 H new ATOM 0 HA HIS A 56 -2.757 -2.340 -4.345 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.042 -0.565 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.896 -1.294 -6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.761 -1.102 -5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -6.204 -3.127 -9.587 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.952 -2.092 -8.028 1.00 0.00 H new ATOM 885 N PHE A 57 -4.737 -2.375 -2.955 1.00 0.00 N ATOM 886 CA PHE A 57 -5.888 -2.480 -2.081 1.00 0.00 C ATOM 887 C PHE A 57 -6.277 -1.088 -1.584 1.00 0.00 C ATOM 888 O PHE A 57 -5.667 -0.538 -0.676 1.00 0.00 O ATOM 889 CB PHE A 57 -5.554 -3.365 -0.881 1.00 0.00 C ATOM 890 CG PHE A 57 -5.209 -4.761 -1.306 1.00 0.00 C ATOM 891 CD1 PHE A 57 -6.250 -5.738 -1.493 1.00 0.00 C ATOM 892 CD2 PHE A 57 -3.836 -5.135 -1.530 1.00 0.00 C ATOM 893 CE1 PHE A 57 -5.923 -7.079 -1.897 1.00 0.00 C ATOM 894 CE2 PHE A 57 -3.505 -6.476 -1.934 1.00 0.00 C ATOM 895 CZ PHE A 57 -4.551 -7.448 -2.118 1.00 0.00 C ATOM 0 H PHE A 57 -3.916 -1.920 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 57 -6.716 -2.921 -2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -4.717 -2.934 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.404 -3.391 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -7.281 -5.462 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -3.051 -4.406 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -6.708 -7.808 -2.034 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -2.474 -6.753 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 57 -4.305 -8.455 -2.422 1.00 0.00 H new ATOM 905 N LYS A 58 -7.333 -0.562 -2.229 1.00 0.00 N ATOM 906 CA LYS A 58 -7.755 0.759 -1.812 1.00 0.00 C ATOM 907 C LYS A 58 -8.117 0.737 -0.328 1.00 0.00 C ATOM 908 O LYS A 58 -9.202 0.329 0.068 1.00 0.00 O ATOM 909 CB LYS A 58 -8.961 1.221 -2.630 1.00 0.00 C ATOM 910 CG LYS A 58 -8.626 1.361 -4.114 1.00 0.00 C ATOM 911 CD LYS A 58 -9.810 1.895 -4.920 1.00 0.00 C ATOM 912 CE LYS A 58 -11.008 0.946 -4.874 1.00 0.00 C ATOM 913 NZ LYS A 58 -12.140 1.446 -5.646 1.00 0.00 N ATOM 0 H LYS A 58 -7.865 -0.999 -2.981 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.934 1.457 -1.978 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.776 0.508 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.314 2.178 -2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.775 2.032 -4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.325 0.391 -4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.104 2.869 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.506 2.045 -5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.711 -0.030 -5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.314 0.800 -3.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.928 0.770 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.442 2.365 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.858 1.561 -6.641 1.00 0.00 H new ATOM 927 N VAL A 59 -7.141 1.221 0.457 1.00 0.00 N ATOM 928 CA VAL A 59 -7.432 1.363 1.868 1.00 0.00 C ATOM 929 C VAL A 59 -8.430 2.505 2.046 1.00 0.00 C ATOM 930 O VAL A 59 -8.067 3.653 2.275 1.00 0.00 O ATOM 931 CB VAL A 59 -6.146 1.662 2.639 1.00 0.00 C ATOM 932 CG1 VAL A 59 -6.446 1.846 4.127 1.00 0.00 C ATOM 933 CG2 VAL A 59 -5.114 0.557 2.422 1.00 0.00 C ATOM 0 H VAL A 59 -6.208 1.501 0.155 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.858 0.437 2.255 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.725 2.592 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.520 2.058 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.139 2.677 4.258 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.893 0.934 4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.207 0.791 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.519 -0.393 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.878 0.483 1.360 1.00 0.00 H new ATOM 943 N LEU A 60 -9.707 2.109 1.914 1.00 0.00 N ATOM 944 CA LEU A 60 -10.738 3.119 1.984 1.00 0.00 C ATOM 945 C LEU A 60 -10.997 3.491 3.440 1.00 0.00 C ATOM 946 O LEU A 60 -10.641 2.771 4.363 1.00 0.00 O ATOM 947 CB LEU A 60 -12.027 2.572 1.381 1.00 0.00 C ATOM 948 CG LEU A 60 -11.848 2.100 -0.065 1.00 0.00 C ATOM 949 CD1 LEU A 60 -13.173 1.586 -0.630 1.00 0.00 C ATOM 950 CD2 LEU A 60 -11.275 3.207 -0.951 1.00 0.00 C ATOM 0 H LEU A 60 -10.024 1.151 1.767 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.411 4.000 1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.384 1.741 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.796 3.344 1.415 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.131 1.279 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.026 1.255 -1.658 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.526 0.750 -0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.913 2.386 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.162 2.836 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.952 4.061 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.302 3.514 -0.566 1.00 0.00 H new ATOM 962 N ARG A 61 -11.659 4.651 3.577 1.00 0.00 N ATOM 963 CA ARG A 61 -12.088 5.019 4.910 1.00 0.00 C ATOM 964 C ARG A 61 -13.553 5.458 4.864 1.00 0.00 C ATOM 965 O ARG A 61 -14.316 5.072 3.986 1.00 0.00 O ATOM 966 CB ARG A 61 -11.201 6.141 5.443 1.00 0.00 C ATOM 967 CG ARG A 61 -11.381 7.410 4.619 1.00 0.00 C ATOM 968 CD ARG A 61 -10.513 8.554 5.131 1.00 0.00 C ATOM 969 NE ARG A 61 -10.826 8.839 6.518 1.00 0.00 N ATOM 970 CZ ARG A 61 -11.868 9.645 6.794 1.00 0.00 C ATOM 971 NH1 ARG A 61 -12.590 10.172 5.808 1.00 0.00 N ATOM 972 NH2 ARG A 61 -12.177 9.918 8.059 1.00 0.00 N ATOM 0 H ARG A 61 -11.891 5.304 2.828 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.999 4.164 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.447 6.341 6.486 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.157 5.829 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.132 7.204 3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.428 7.711 4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.459 8.292 5.035 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.677 9.444 4.524 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.267 8.436 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.355 9.966 4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.379 10.782 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.625 9.517 8.817 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.966 10.529 8.271 1.00 0.00 H new ATOM 986 N ASP A 62 -13.886 6.295 5.860 1.00 0.00 N ATOM 987 CA ASP A 62 -15.253 6.780 5.908 1.00 0.00 C ATOM 988 C ASP A 62 -15.420 7.852 6.993 1.00 0.00 C ATOM 989 O ASP A 62 -16.143 8.826 6.823 1.00 0.00 O ATOM 990 CB ASP A 62 -16.201 5.611 6.178 1.00 0.00 C ATOM 991 CG ASP A 62 -17.649 6.105 6.188 1.00 0.00 C ATOM 992 OD1 ASP A 62 -17.891 7.221 5.731 1.00 0.00 O ATOM 993 OD2 ASP A 62 -18.517 5.370 6.656 1.00 0.00 O ATOM 0 H ASP A 62 -13.263 6.628 6.596 1.00 0.00 H new ATOM 0 HA ASP A 62 -15.494 7.232 4.946 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.074 4.845 5.413 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -15.959 5.149 7.135 1.00 0.00 H new ATOM 998 N GLY A 63 -14.713 7.611 8.113 1.00 0.00 N ATOM 999 CA GLY A 63 -14.867 8.535 9.223 1.00 0.00 C ATOM 1000 C GLY A 63 -15.869 7.987 10.246 1.00 0.00 C ATOM 1001 O GLY A 63 -15.667 8.061 11.452 1.00 0.00 O ATOM 0 H GLY A 63 -14.071 6.832 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -13.902 8.699 9.703 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.208 9.502 8.854 1.00 0.00 H new ATOM 1005 N ALA A 64 -16.950 7.421 9.677 1.00 0.00 N ATOM 1006 CA ALA A 64 -17.924 6.763 10.525 1.00 0.00 C ATOM 1007 C ALA A 64 -17.632 5.265 10.508 1.00 0.00 C ATOM 1008 O ALA A 64 -18.476 4.433 10.199 1.00 0.00 O ATOM 1009 CB ALA A 64 -19.327 7.028 9.988 1.00 0.00 C ATOM 0 H ALA A 64 -17.154 7.411 8.678 1.00 0.00 H new ATOM 0 HA ALA A 64 -17.863 7.143 11.545 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -20.060 6.533 10.625 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -19.517 8.101 9.981 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -19.408 6.639 8.973 1.00 0.00 H new ATOM 1015 N GLY A 65 -16.354 5.002 10.825 1.00 0.00 N ATOM 1016 CA GLY A 65 -15.836 3.665 10.605 1.00 0.00 C ATOM 1017 C GLY A 65 -14.323 3.690 10.318 1.00 0.00 C ATOM 1018 O GLY A 65 -13.598 2.765 10.663 1.00 0.00 O ATOM 0 H GLY A 65 -15.694 5.673 11.217 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.032 3.048 11.482 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.359 3.203 9.768 1.00 0.00 H new ATOM 1022 N LYS A 66 -13.900 4.801 9.680 1.00 0.00 N ATOM 1023 CA LYS A 66 -12.487 4.991 9.411 1.00 0.00 C ATOM 1024 C LYS A 66 -12.019 4.019 8.326 1.00 0.00 C ATOM 1025 O LYS A 66 -12.781 3.620 7.455 1.00 0.00 O ATOM 1026 CB LYS A 66 -11.684 4.820 10.702 1.00 0.00 C ATOM 1027 CG LYS A 66 -12.162 5.773 11.797 1.00 0.00 C ATOM 1028 CD LYS A 66 -11.333 5.629 13.071 1.00 0.00 C ATOM 1029 CE LYS A 66 -9.841 5.748 12.773 1.00 0.00 C ATOM 1030 NZ LYS A 66 -9.515 6.966 12.044 1.00 0.00 N ATOM 0 H LYS A 66 -14.508 5.553 9.355 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.322 6.003 9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -11.772 3.791 11.051 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.628 4.999 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.102 6.800 11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.210 5.575 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.626 6.396 13.788 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.538 4.664 13.535 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.284 5.728 13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.519 4.883 12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.586 7.318 12.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.486 6.763 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -10.239 7.688 12.233 1.00 0.00 H new ATOM 1044 N TYR A 67 -10.717 3.683 8.430 1.00 0.00 N ATOM 1045 CA TYR A 67 -10.116 2.881 7.377 1.00 0.00 C ATOM 1046 C TYR A 67 -10.645 1.446 7.429 1.00 0.00 C ATOM 1047 O TYR A 67 -10.960 0.913 8.487 1.00 0.00 O ATOM 1048 CB TYR A 67 -8.593 2.887 7.525 1.00 0.00 C ATOM 1049 CG TYR A 67 -8.046 4.283 7.475 1.00 0.00 C ATOM 1050 CD1 TYR A 67 -7.854 4.943 6.208 1.00 0.00 C ATOM 1051 CD2 TYR A 67 -7.710 4.976 8.692 1.00 0.00 C ATOM 1052 CE1 TYR A 67 -7.332 6.284 6.158 1.00 0.00 C ATOM 1053 CE2 TYR A 67 -7.189 6.316 8.646 1.00 0.00 C ATOM 1054 CZ TYR A 67 -7.000 6.970 7.378 1.00 0.00 C ATOM 1055 OH TYR A 67 -6.500 8.254 7.332 1.00 0.00 O ATOM 0 H TYR A 67 -10.098 3.945 9.197 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.383 3.312 6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.315 2.419 8.469 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.146 2.290 6.730 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.103 4.429 5.291 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.850 4.487 9.645 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.190 6.774 5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.940 6.831 9.562 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.329 8.571 8.243 1.00 0.00 H new ATOM 1065 N PHE A 68 -10.726 0.863 6.218 1.00 0.00 N ATOM 1066 CA PHE A 68 -11.220 -0.500 6.159 1.00 0.00 C ATOM 1067 C PHE A 68 -10.924 -1.117 4.788 1.00 0.00 C ATOM 1068 O PHE A 68 -10.573 -0.436 3.832 1.00 0.00 O ATOM 1069 CB PHE A 68 -12.731 -0.498 6.403 1.00 0.00 C ATOM 1070 CG PHE A 68 -13.471 0.235 5.323 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -13.651 -0.365 4.027 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -14.013 1.545 5.578 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -14.367 0.334 2.993 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -14.730 2.248 4.548 1.00 0.00 C ATOM 1075 CZ PHE A 68 -14.906 1.642 3.254 1.00 0.00 C ATOM 0 H PHE A 68 -10.471 1.291 5.328 1.00 0.00 H new ATOM 0 HA PHE A 68 -10.720 -1.093 6.925 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -13.091 -1.525 6.457 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -12.943 -0.035 7.367 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -13.246 -1.346 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -13.880 2.002 6.548 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -14.499 -0.122 2.023 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.136 3.229 4.745 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.443 2.169 2.479 1.00 0.00 H new ATOM 1085 N LEU A 69 -11.116 -2.449 4.767 1.00 0.00 N ATOM 1086 CA LEU A 69 -11.022 -3.140 3.494 1.00 0.00 C ATOM 1087 C LEU A 69 -12.312 -3.926 3.256 1.00 0.00 C ATOM 1088 O LEU A 69 -12.490 -5.033 3.748 1.00 0.00 O ATOM 1089 CB LEU A 69 -9.838 -4.111 3.477 1.00 0.00 C ATOM 1090 CG LEU A 69 -8.491 -3.434 3.724 1.00 0.00 C ATOM 1091 CD1 LEU A 69 -8.288 -3.183 5.212 1.00 0.00 C ATOM 1092 CD2 LEU A 69 -7.349 -4.296 3.189 1.00 0.00 C ATOM 0 H LEU A 69 -11.326 -3.032 5.577 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.873 -2.398 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.995 -4.877 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.809 -4.619 2.513 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.490 -2.480 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.324 -2.700 5.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.083 -2.537 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.311 -4.132 5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.398 -3.796 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.356 -5.262 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.477 -4.445 2.117 1.00 0.00 H new ATOM 1104 N TRP A 70 -13.181 -3.273 2.463 1.00 0.00 N ATOM 1105 CA TRP A 70 -14.455 -3.884 2.116 1.00 0.00 C ATOM 1106 C TRP A 70 -15.413 -3.862 3.313 1.00 0.00 C ATOM 1107 O TRP A 70 -16.611 -3.644 3.168 1.00 0.00 O ATOM 1108 CB TRP A 70 -14.270 -5.327 1.628 1.00 0.00 C ATOM 1109 CG TRP A 70 -13.299 -5.371 0.471 1.00 0.00 C ATOM 1110 CD1 TRP A 70 -13.024 -4.325 -0.417 1.00 0.00 C ATOM 1111 CD2 TRP A 70 -12.480 -6.485 0.069 1.00 0.00 C ATOM 1112 NE1 TRP A 70 -12.097 -4.720 -1.329 1.00 0.00 N ATOM 1113 CE2 TRP A 70 -11.719 -6.035 -1.093 1.00 0.00 C ATOM 1114 CE3 TRP A 70 -12.315 -7.801 0.564 1.00 0.00 C ATOM 1115 CZ2 TRP A 70 -10.808 -6.913 -1.730 1.00 0.00 C ATOM 1116 CZ3 TRP A 70 -11.389 -8.699 -0.082 1.00 0.00 C ATOM 1117 CH2 TRP A 70 -10.636 -8.255 -1.230 1.00 0.00 C ATOM 0 H TRP A 70 -13.022 -2.348 2.065 1.00 0.00 H new ATOM 0 HA TRP A 70 -14.885 -3.298 1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -13.902 -5.949 2.444 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -15.231 -5.740 1.321 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -13.481 -3.347 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -11.731 -4.134 -2.080 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -12.881 -8.132 1.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -10.244 -6.578 -2.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -11.259 -9.703 0.294 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -9.944 -8.927 -1.715 1.00 0.00 H new ATOM 1128 N VAL A 71 -14.819 -4.113 4.495 1.00 0.00 N ATOM 1129 CA VAL A 71 -15.671 -4.222 5.665 1.00 0.00 C ATOM 1130 C VAL A 71 -14.919 -3.771 6.922 1.00 0.00 C ATOM 1131 O VAL A 71 -15.022 -2.633 7.365 1.00 0.00 O ATOM 1132 CB VAL A 71 -16.141 -5.671 5.819 1.00 0.00 C ATOM 1133 CG1 VAL A 71 -16.939 -5.857 7.111 1.00 0.00 C ATOM 1134 CG2 VAL A 71 -16.964 -6.109 4.607 1.00 0.00 C ATOM 0 H VAL A 71 -13.818 -4.235 4.650 1.00 0.00 H new ATOM 0 HA VAL A 71 -16.537 -3.573 5.536 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.256 -6.304 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.260 -6.895 7.194 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -16.313 -5.601 7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -17.814 -5.207 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -17.286 -7.142 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.838 -5.466 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.355 -6.032 3.706 1.00 0.00 H new ATOM 1144 N VAL A 72 -14.186 -4.754 7.473 1.00 0.00 N ATOM 1145 CA VAL A 72 -13.539 -4.525 8.751 1.00 0.00 C ATOM 1146 C VAL A 72 -12.766 -3.204 8.734 1.00 0.00 C ATOM 1147 O VAL A 72 -12.070 -2.872 7.783 1.00 0.00 O ATOM 1148 CB VAL A 72 -12.608 -5.698 9.056 1.00 0.00 C ATOM 1149 CG1 VAL A 72 -13.401 -7.004 9.098 1.00 0.00 C ATOM 1150 CG2 VAL A 72 -11.482 -5.778 8.025 1.00 0.00 C ATOM 0 H VAL A 72 -14.037 -5.676 7.063 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.294 -4.455 9.534 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.155 -5.537 10.034 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.727 -7.832 9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.163 -6.942 9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.880 -7.170 8.133 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.831 -6.620 8.261 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -11.908 -5.916 7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.903 -4.855 8.046 1.00 0.00 H new ATOM 1160 N LYS A 73 -12.952 -2.476 9.852 1.00 0.00 N ATOM 1161 CA LYS A 73 -12.327 -1.170 9.930 1.00 0.00 C ATOM 1162 C LYS A 73 -11.034 -1.229 10.737 1.00 0.00 C ATOM 1163 O LYS A 73 -10.612 -2.268 11.230 1.00 0.00 O ATOM 1164 CB LYS A 73 -13.263 -0.162 10.596 1.00 0.00 C ATOM 1165 CG LYS A 73 -14.564 0.055 9.826 1.00 0.00 C ATOM 1166 CD LYS A 73 -15.621 -1.006 10.137 1.00 0.00 C ATOM 1167 CE LYS A 73 -16.946 -0.711 9.433 1.00 0.00 C ATOM 1168 NZ LYS A 73 -16.831 -0.786 7.981 1.00 0.00 N ATOM 0 H LYS A 73 -13.500 -2.760 10.664 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.108 -0.856 8.909 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.498 -0.506 11.603 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.745 0.792 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.963 1.040 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.353 0.049 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.255 -1.985 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.784 -1.052 11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.701 -1.420 9.772 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.292 0.283 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.654 -1.289 7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.794 0.175 7.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.962 -1.298 7.728 1.00 0.00 H new ATOM 1182 N PHE A 74 -10.450 -0.020 10.832 1.00 0.00 N ATOM 1183 CA PHE A 74 -9.225 0.107 11.596 1.00 0.00 C ATOM 1184 C PHE A 74 -9.049 1.570 12.008 1.00 0.00 C ATOM 1185 O PHE A 74 -9.281 2.490 11.233 1.00 0.00 O ATOM 1186 CB PHE A 74 -8.000 -0.355 10.795 1.00 0.00 C ATOM 1187 CG PHE A 74 -8.203 -1.685 10.126 1.00 0.00 C ATOM 1188 CD1 PHE A 74 -8.861 -1.767 8.846 1.00 0.00 C ATOM 1189 CD2 PHE A 74 -7.749 -2.891 10.767 1.00 0.00 C ATOM 1190 CE1 PHE A 74 -9.069 -3.045 8.218 1.00 0.00 C ATOM 1191 CE2 PHE A 74 -7.951 -4.169 10.139 1.00 0.00 C ATOM 1192 CZ PHE A 74 -8.611 -4.246 8.864 1.00 0.00 C ATOM 0 H PHE A 74 -10.797 0.839 10.406 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.302 -0.533 12.475 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -7.764 0.394 10.039 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.140 -0.417 11.461 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -9.199 -0.866 8.356 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.254 -2.836 11.725 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.569 -3.102 7.262 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.607 -5.070 10.625 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.763 -5.205 8.391 1.00 0.00 H new ATOM 1202 N ASN A 75 -8.641 1.717 13.280 1.00 0.00 N ATOM 1203 CA ASN A 75 -8.480 3.073 13.786 1.00 0.00 C ATOM 1204 C ASN A 75 -7.404 3.878 13.022 1.00 0.00 C ATOM 1205 O ASN A 75 -7.273 5.080 13.218 1.00 0.00 O ATOM 1206 CB ASN A 75 -8.134 3.028 15.273 1.00 0.00 C ATOM 1207 CG ASN A 75 -6.776 2.356 15.474 1.00 0.00 C ATOM 1208 OD1 ASN A 75 -6.017 2.137 14.538 1.00 0.00 O ATOM 1209 ND2 ASN A 75 -6.530 2.041 16.759 1.00 0.00 N ATOM 0 H ASN A 75 -8.431 0.963 13.933 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.429 3.587 13.632 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.113 4.039 15.680 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.904 2.481 15.817 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.655 1.583 17.013 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.219 2.260 17.479 1.00 0.00 H new ATOM 1216 N SER A 76 -6.648 3.175 12.154 1.00 0.00 N ATOM 1217 CA SER A 76 -5.619 3.884 11.419 1.00 0.00 C ATOM 1218 C SER A 76 -4.898 2.917 10.479 1.00 0.00 C ATOM 1219 O SER A 76 -4.822 1.718 10.721 1.00 0.00 O ATOM 1220 CB SER A 76 -4.622 4.510 12.395 1.00 0.00 C ATOM 1221 OG SER A 76 -3.630 5.222 11.702 1.00 0.00 O ATOM 0 H SER A 76 -6.731 2.177 11.961 1.00 0.00 H new ATOM 0 HA SER A 76 -6.079 4.676 10.829 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.146 5.178 13.079 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.161 3.731 13.001 1.00 0.00 H new ATOM 0 HG SER A 76 -3.002 5.617 12.343 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.382 3.520 9.393 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.636 2.709 8.446 1.00 0.00 C ATOM 1229 C LEU A 77 -2.703 1.749 9.191 1.00 0.00 C ATOM 1230 O LEU A 77 -2.586 0.574 8.864 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.805 3.613 7.537 1.00 0.00 C ATOM 1232 CG LEU A 77 -3.664 4.614 6.765 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -2.782 5.600 6.001 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -4.611 3.889 5.809 1.00 0.00 C ATOM 0 H LEU A 77 -4.466 4.511 9.166 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.341 2.132 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.074 4.154 8.138 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.246 2.998 6.831 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.265 5.173 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.411 6.305 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.151 6.144 6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.154 5.056 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.213 4.620 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.030 3.301 5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.266 3.228 6.377 1.00 0.00 H new ATOM 1246 N ASN A 78 -2.049 2.338 10.208 1.00 0.00 N ATOM 1247 CA ASN A 78 -1.094 1.564 10.976 1.00 0.00 C ATOM 1248 C ASN A 78 -1.747 0.298 11.538 1.00 0.00 C ATOM 1249 O ASN A 78 -1.146 -0.769 11.571 1.00 0.00 O ATOM 1250 CB ASN A 78 -0.575 2.414 12.132 1.00 0.00 C ATOM 1251 CG ASN A 78 0.076 3.688 11.591 1.00 0.00 C ATOM 1252 OD1 ASN A 78 1.293 3.831 11.562 1.00 0.00 O ATOM 1253 ND2 ASN A 78 -0.820 4.599 11.173 1.00 0.00 N ATOM 0 H ASN A 78 -2.165 3.309 10.499 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.273 1.273 10.321 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.395 2.671 12.803 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.148 1.846 12.716 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.502 5.492 10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.818 4.398 11.233 1.00 0.00 H new ATOM 1260 N GLU A 79 -3.005 0.481 11.980 1.00 0.00 N ATOM 1261 CA GLU A 79 -3.687 -0.682 12.520 1.00 0.00 C ATOM 1262 C GLU A 79 -4.006 -1.694 11.407 1.00 0.00 C ATOM 1263 O GLU A 79 -3.959 -2.903 11.608 1.00 0.00 O ATOM 1264 CB GLU A 79 -4.971 -0.247 13.224 1.00 0.00 C ATOM 1265 CG GLU A 79 -5.692 -1.437 13.856 1.00 0.00 C ATOM 1266 CD GLU A 79 -6.954 -0.966 14.583 1.00 0.00 C ATOM 1267 OE1 GLU A 79 -6.825 -0.288 15.601 1.00 0.00 O ATOM 1268 OE2 GLU A 79 -8.049 -1.287 14.127 1.00 0.00 O ATOM 0 H GLU A 79 -3.528 1.357 11.973 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.030 -1.168 13.241 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.735 0.488 13.994 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.632 0.242 12.509 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.956 -2.162 13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.028 -1.944 14.556 1.00 0.00 H new ATOM 1275 N LEU A 80 -4.317 -1.125 10.227 1.00 0.00 N ATOM 1276 CA LEU A 80 -4.559 -1.979 9.082 1.00 0.00 C ATOM 1277 C LEU A 80 -3.322 -2.845 8.838 1.00 0.00 C ATOM 1278 O LEU A 80 -3.397 -4.058 8.678 1.00 0.00 O ATOM 1279 CB LEU A 80 -4.847 -1.093 7.869 1.00 0.00 C ATOM 1280 CG LEU A 80 -5.370 -1.868 6.659 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -5.939 -0.895 5.625 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.291 -2.741 6.014 1.00 0.00 C ATOM 0 H LEU A 80 -4.401 -0.123 10.058 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.413 -2.633 9.258 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.578 -0.334 8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.934 -0.568 7.588 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.156 -2.534 7.015 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.310 -1.453 4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.757 -0.328 6.070 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.156 -0.209 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.714 -3.270 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.466 -2.112 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.924 -3.464 6.743 1.00 0.00 H new ATOM 1294 N VAL A 81 -2.186 -2.127 8.824 1.00 0.00 N ATOM 1295 CA VAL A 81 -0.927 -2.800 8.570 1.00 0.00 C ATOM 1296 C VAL A 81 -0.621 -3.812 9.681 1.00 0.00 C ATOM 1297 O VAL A 81 -0.139 -4.911 9.432 1.00 0.00 O ATOM 1298 CB VAL A 81 0.184 -1.752 8.492 1.00 0.00 C ATOM 1299 CG1 VAL A 81 1.552 -2.409 8.311 1.00 0.00 C ATOM 1300 CG2 VAL A 81 -0.092 -0.757 7.364 1.00 0.00 C ATOM 0 H VAL A 81 -2.124 -1.121 8.980 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.991 -3.344 7.627 1.00 0.00 H new ATOM 0 HB VAL A 81 0.198 -1.207 9.436 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.322 -1.639 8.259 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.754 -3.067 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.557 -2.990 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.710 -0.020 7.325 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.142 -1.289 6.414 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.040 -0.252 7.548 1.00 0.00 H new ATOM 1310 N ASP A 82 -0.926 -3.371 10.915 1.00 0.00 N ATOM 1311 CA ASP A 82 -0.618 -4.228 12.044 1.00 0.00 C ATOM 1312 C ASP A 82 -1.392 -5.545 11.935 1.00 0.00 C ATOM 1313 O ASP A 82 -0.855 -6.625 12.146 1.00 0.00 O ATOM 1314 CB ASP A 82 -0.974 -3.512 13.348 1.00 0.00 C ATOM 1315 CG ASP A 82 -0.616 -4.399 14.542 1.00 0.00 C ATOM 1316 OD1 ASP A 82 0.512 -4.306 15.024 1.00 0.00 O ATOM 1317 OD2 ASP A 82 -1.470 -5.167 14.980 1.00 0.00 O ATOM 0 H ASP A 82 -1.361 -2.476 11.137 1.00 0.00 H new ATOM 0 HA ASP A 82 0.449 -4.451 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.437 -2.566 13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.038 -3.276 13.365 1.00 0.00 H new ATOM 1322 N TYR A 83 -2.680 -5.379 11.589 1.00 0.00 N ATOM 1323 CA TYR A 83 -3.503 -6.566 11.454 1.00 0.00 C ATOM 1324 C TYR A 83 -2.975 -7.438 10.310 1.00 0.00 C ATOM 1325 O TYR A 83 -2.884 -8.655 10.422 1.00 0.00 O ATOM 1326 CB TYR A 83 -4.956 -6.171 11.184 1.00 0.00 C ATOM 1327 CG TYR A 83 -5.680 -5.771 12.439 1.00 0.00 C ATOM 1328 CD1 TYR A 83 -5.097 -4.837 13.371 1.00 0.00 C ATOM 1329 CD2 TYR A 83 -6.976 -6.333 12.720 1.00 0.00 C ATOM 1330 CE1 TYR A 83 -5.802 -4.473 14.571 1.00 0.00 C ATOM 1331 CE2 TYR A 83 -7.685 -5.969 13.919 1.00 0.00 C ATOM 1332 CZ TYR A 83 -7.096 -5.038 14.844 1.00 0.00 C ATOM 1333 OH TYR A 83 -7.773 -4.689 15.995 1.00 0.00 O ATOM 0 H TYR A 83 -3.142 -4.487 11.410 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.461 -7.134 12.383 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.980 -5.344 10.474 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.477 -7.007 10.717 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.127 -4.409 13.167 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.419 -7.032 12.026 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.360 -3.776 15.267 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.657 -6.394 14.123 1.00 0.00 H new ATOM 0 HH TYR A 83 -8.632 -5.160 16.025 1.00 0.00 H new ATOM 1343 N HIS A 84 -2.628 -6.741 9.213 1.00 0.00 N ATOM 1344 CA HIS A 84 -2.097 -7.482 8.083 1.00 0.00 C ATOM 1345 C HIS A 84 -0.565 -7.521 8.145 1.00 0.00 C ATOM 1346 O HIS A 84 0.122 -7.365 7.142 1.00 0.00 O ATOM 1347 CB HIS A 84 -2.555 -6.836 6.774 1.00 0.00 C ATOM 1348 CG HIS A 84 -4.063 -6.864 6.695 1.00 0.00 C ATOM 1349 ND1 HIS A 84 -4.834 -7.778 7.324 1.00 0.00 N ATOM 1350 CD2 HIS A 84 -4.901 -5.988 5.987 1.00 0.00 C ATOM 1351 CE1 HIS A 84 -6.103 -7.465 7.007 1.00 0.00 C ATOM 1352 NE2 HIS A 84 -6.175 -6.390 6.202 1.00 0.00 N ATOM 0 H HIS A 84 -2.702 -5.730 9.096 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.473 -8.504 8.125 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.197 -5.808 6.720 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.126 -7.368 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.587 -5.149 5.383 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -6.965 -8.013 7.358 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.022 -5.962 5.828 1.00 0.00 H new ATOM 1360 N ARG A 85 -0.083 -7.735 9.382 1.00 0.00 N ATOM 1361 CA ARG A 85 1.356 -7.796 9.557 1.00 0.00 C ATOM 1362 C ARG A 85 1.842 -9.250 9.501 1.00 0.00 C ATOM 1363 O ARG A 85 2.869 -9.561 8.912 1.00 0.00 O ATOM 1364 CB ARG A 85 1.739 -7.167 10.897 1.00 0.00 C ATOM 1365 CG ARG A 85 3.249 -7.204 11.134 1.00 0.00 C ATOM 1366 CD ARG A 85 4.011 -6.366 10.108 1.00 0.00 C ATOM 1367 NE ARG A 85 5.436 -6.428 10.372 1.00 0.00 N ATOM 1368 CZ ARG A 85 6.279 -5.793 9.537 1.00 0.00 C ATOM 1369 NH1 ARG A 85 5.807 -5.122 8.490 1.00 0.00 N ATOM 1370 NH2 ARG A 85 7.590 -5.838 9.759 1.00 0.00 N ATOM 0 H ARG A 85 -0.642 -7.861 10.226 1.00 0.00 H new ATOM 0 HA ARG A 85 1.833 -7.241 8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.392 -6.134 10.925 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.232 -7.696 11.704 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.468 -6.836 12.137 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.598 -8.236 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.804 -6.732 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.671 -5.331 10.147 1.00 0.00 H new ATOM 0 HE ARG A 85 5.793 -6.944 11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.802 -5.087 8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.450 -4.642 7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.954 -6.353 10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.231 -5.358 9.128 1.00 0.00 H new ATOM 1384 N SER A 86 1.037 -10.113 10.150 1.00 0.00 N ATOM 1385 CA SER A 86 1.422 -11.512 10.178 1.00 0.00 C ATOM 1386 C SER A 86 0.606 -12.308 9.154 1.00 0.00 C ATOM 1387 O SER A 86 1.124 -13.157 8.440 1.00 0.00 O ATOM 1388 CB SER A 86 1.200 -12.078 11.581 1.00 0.00 C ATOM 1389 OG SER A 86 1.593 -13.425 11.640 1.00 0.00 O ATOM 0 H SER A 86 0.170 -9.875 10.631 1.00 0.00 H new ATOM 0 HA SER A 86 2.478 -11.595 9.920 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.767 -11.496 12.307 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.148 -11.988 11.853 1.00 0.00 H new ATOM 0 HG SER A 86 1.445 -13.770 12.545 1.00 0.00 H new ATOM 1395 N THR A 87 -0.698 -11.976 9.132 1.00 0.00 N ATOM 1396 CA THR A 87 -1.564 -12.682 8.208 1.00 0.00 C ATOM 1397 C THR A 87 -1.229 -12.261 6.771 1.00 0.00 C ATOM 1398 O THR A 87 -0.087 -11.962 6.443 1.00 0.00 O ATOM 1399 CB THR A 87 -3.024 -12.387 8.557 1.00 0.00 C ATOM 1400 OG1 THR A 87 -3.872 -13.162 7.749 1.00 0.00 O ATOM 1401 CG2 THR A 87 -3.363 -10.906 8.384 1.00 0.00 C ATOM 0 H THR A 87 -1.143 -11.265 9.712 1.00 0.00 H new ATOM 0 HA THR A 87 -1.408 -13.758 8.288 1.00 0.00 H new ATOM 0 HB THR A 87 -3.172 -12.643 9.606 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.601 -12.603 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.409 -10.740 8.642 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.728 -10.309 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.194 -10.613 7.348 1.00 0.00 H new ATOM 1409 N SER A 88 -2.291 -12.252 5.944 1.00 0.00 N ATOM 1410 CA SER A 88 -2.075 -11.867 4.563 1.00 0.00 C ATOM 1411 C SER A 88 -2.995 -10.692 4.211 1.00 0.00 C ATOM 1412 O SER A 88 -3.370 -9.893 5.060 1.00 0.00 O ATOM 1413 CB SER A 88 -2.346 -13.066 3.654 1.00 0.00 C ATOM 1414 OG SER A 88 -3.677 -13.498 3.787 1.00 0.00 O ATOM 0 H SER A 88 -3.249 -12.494 6.199 1.00 0.00 H new ATOM 0 HA SER A 88 -1.042 -11.551 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.148 -12.795 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.667 -13.881 3.906 1.00 0.00 H new ATOM 0 HG SER A 88 -4.082 -13.588 2.899 1.00 0.00 H new ATOM 1420 N VAL A 89 -3.333 -10.647 2.909 1.00 0.00 N ATOM 1421 CA VAL A 89 -4.208 -9.578 2.468 1.00 0.00 C ATOM 1422 C VAL A 89 -4.544 -9.762 0.984 1.00 0.00 C ATOM 1423 O VAL A 89 -4.503 -8.830 0.190 1.00 0.00 O ATOM 1424 CB VAL A 89 -3.532 -8.227 2.705 1.00 0.00 C ATOM 1425 CG1 VAL A 89 -2.263 -8.099 1.861 1.00 0.00 C ATOM 1426 CG2 VAL A 89 -4.492 -7.070 2.425 1.00 0.00 C ATOM 0 H VAL A 89 -3.028 -11.303 2.190 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.136 -9.607 3.040 1.00 0.00 H new ATOM 0 HB VAL A 89 -3.248 -8.176 3.756 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.799 -7.130 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.566 -8.892 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.519 -8.183 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.982 -6.123 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.823 -7.115 1.388 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.356 -7.146 3.085 1.00 0.00 H new ATOM 1436 N SER A 90 -4.870 -11.029 0.669 1.00 0.00 N ATOM 1437 CA SER A 90 -5.215 -11.328 -0.707 1.00 0.00 C ATOM 1438 C SER A 90 -5.757 -12.761 -0.790 1.00 0.00 C ATOM 1439 O SER A 90 -6.405 -13.253 0.127 1.00 0.00 O ATOM 1440 CB SER A 90 -3.981 -11.138 -1.593 1.00 0.00 C ATOM 1441 OG SER A 90 -4.305 -11.323 -2.947 1.00 0.00 O ATOM 0 H SER A 90 -4.898 -11.815 1.318 1.00 0.00 H new ATOM 0 HA SER A 90 -5.991 -10.650 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.573 -10.138 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.205 -11.846 -1.300 1.00 0.00 H new ATOM 0 HG SER A 90 -4.366 -10.451 -3.391 1.00 0.00 H new ATOM 1447 N ARG A 91 -5.440 -13.401 -1.932 1.00 0.00 N ATOM 1448 CA ARG A 91 -5.860 -14.787 -2.077 1.00 0.00 C ATOM 1449 C ARG A 91 -5.209 -15.731 -1.039 1.00 0.00 C ATOM 1450 O ARG A 91 -5.347 -16.944 -1.128 1.00 0.00 O ATOM 1451 CB ARG A 91 -5.494 -15.269 -3.478 1.00 0.00 C ATOM 1452 CG ARG A 91 -6.144 -14.415 -4.566 1.00 0.00 C ATOM 1453 CD ARG A 91 -5.788 -14.908 -5.968 1.00 0.00 C ATOM 1454 NE ARG A 91 -6.436 -14.082 -6.967 1.00 0.00 N ATOM 1455 CZ ARG A 91 -6.616 -14.582 -8.204 1.00 0.00 C ATOM 1456 NH1 ARG A 91 -6.205 -15.813 -8.497 1.00 0.00 N ATOM 1457 NH2 ARG A 91 -7.208 -13.843 -9.138 1.00 0.00 N ATOM 0 H ARG A 91 -4.926 -13.002 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.937 -14.817 -1.910 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.411 -15.246 -3.598 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.806 -16.307 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.227 -14.430 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.824 -13.379 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.707 -14.881 -6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.099 -15.946 -6.086 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.750 -13.139 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.751 -16.383 -7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.344 -16.187 -9.436 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.525 -12.899 -8.917 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.345 -14.220 -10.076 1.00 0.00 H new ATOM 1471 N ASN A 92 -4.496 -15.125 -0.070 1.00 0.00 N ATOM 1472 CA ASN A 92 -3.813 -15.942 0.922 1.00 0.00 C ATOM 1473 C ASN A 92 -2.711 -16.810 0.288 1.00 0.00 C ATOM 1474 O ASN A 92 -2.383 -17.881 0.786 1.00 0.00 O ATOM 1475 CB ASN A 92 -4.824 -16.831 1.645 1.00 0.00 C ATOM 1476 CG ASN A 92 -5.899 -15.968 2.306 1.00 0.00 C ATOM 1477 OD1 ASN A 92 -6.847 -15.516 1.674 1.00 0.00 O ATOM 1478 ND2 ASN A 92 -5.686 -15.781 3.620 1.00 0.00 N ATOM 0 H ASN A 92 -4.386 -14.117 0.037 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.336 -15.270 1.635 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.284 -17.522 0.939 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.317 -17.435 2.398 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.342 -15.225 4.169 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.868 -16.195 4.068 1.00 0.00 H new ATOM 1485 N GLN A 93 -2.159 -16.292 -0.827 1.00 0.00 N ATOM 1486 CA GLN A 93 -1.080 -17.013 -1.469 1.00 0.00 C ATOM 1487 C GLN A 93 0.217 -16.214 -1.331 1.00 0.00 C ATOM 1488 O GLN A 93 0.501 -15.302 -2.098 1.00 0.00 O ATOM 1489 CB GLN A 93 -1.419 -17.218 -2.945 1.00 0.00 C ATOM 1490 CG GLN A 93 -2.703 -18.026 -3.129 1.00 0.00 C ATOM 1491 CD GLN A 93 -2.996 -18.203 -4.621 1.00 0.00 C ATOM 1492 OE1 GLN A 93 -2.626 -17.386 -5.455 1.00 0.00 O ATOM 1493 NE2 GLN A 93 -3.674 -19.332 -4.892 1.00 0.00 N ATOM 0 H GLN A 93 -2.436 -15.418 -1.273 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.949 -17.986 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.528 -16.248 -3.430 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.594 -17.731 -3.439 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.602 -19.000 -2.651 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.536 -17.518 -2.643 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -3.944 -19.959 -4.134 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.918 -19.561 -5.855 1.00 0.00 H new ATOM 1502 N GLN A 94 0.980 -16.627 -0.303 1.00 0.00 N ATOM 1503 CA GLN A 94 2.239 -15.948 -0.060 1.00 0.00 C ATOM 1504 C GLN A 94 2.049 -14.433 -0.177 1.00 0.00 C ATOM 1505 O GLN A 94 2.211 -13.842 -1.237 1.00 0.00 O ATOM 1506 CB GLN A 94 3.283 -16.425 -1.070 1.00 0.00 C ATOM 1507 CG GLN A 94 4.641 -15.760 -0.846 1.00 0.00 C ATOM 1508 CD GLN A 94 5.161 -16.097 0.552 1.00 0.00 C ATOM 1509 OE1 GLN A 94 4.867 -17.144 1.117 1.00 0.00 O ATOM 1510 NE2 GLN A 94 5.946 -15.135 1.068 1.00 0.00 N ATOM 0 H GLN A 94 0.753 -17.389 0.336 1.00 0.00 H new ATOM 0 HA GLN A 94 2.583 -16.181 0.948 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.392 -17.507 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.936 -16.209 -2.080 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.351 -16.100 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.550 -14.680 -0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.141 -14.292 0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.347 -15.249 1.999 1.00 0.00 H new ATOM 1519 N ILE A 95 1.711 -13.852 0.989 1.00 0.00 N ATOM 1520 CA ILE A 95 1.553 -12.411 1.019 1.00 0.00 C ATOM 1521 C ILE A 95 2.001 -11.878 2.382 1.00 0.00 C ATOM 1522 O ILE A 95 1.572 -12.343 3.431 1.00 0.00 O ATOM 1523 CB ILE A 95 0.091 -12.029 0.782 1.00 0.00 C ATOM 1524 CG1 ILE A 95 -0.453 -12.656 -0.502 1.00 0.00 C ATOM 1525 CG2 ILE A 95 -0.074 -10.508 0.756 1.00 0.00 C ATOM 1526 CD1 ILE A 95 0.090 -11.965 -1.753 1.00 0.00 C ATOM 0 H ILE A 95 1.552 -14.338 1.872 1.00 0.00 H new ATOM 0 HA ILE A 95 2.165 -11.974 0.230 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.492 -12.425 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.189 -13.713 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -1.542 -12.599 -0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.121 -10.258 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.248 -10.091 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.533 -10.090 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.323 -12.443 -2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.196 -10.913 -1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.177 -12.045 -1.770 1.00 0.00 H new ATOM 1538 N PHE A 96 2.892 -10.876 2.289 1.00 0.00 N ATOM 1539 CA PHE A 96 3.380 -10.283 3.519 1.00 0.00 C ATOM 1540 C PHE A 96 3.726 -8.814 3.276 1.00 0.00 C ATOM 1541 O PHE A 96 4.280 -8.445 2.247 1.00 0.00 O ATOM 1542 CB PHE A 96 4.611 -11.045 4.008 1.00 0.00 C ATOM 1543 CG PHE A 96 4.290 -12.487 4.274 1.00 0.00 C ATOM 1544 CD1 PHE A 96 4.408 -13.463 3.220 1.00 0.00 C ATOM 1545 CD2 PHE A 96 3.860 -12.904 5.583 1.00 0.00 C ATOM 1546 CE1 PHE A 96 4.098 -14.845 3.474 1.00 0.00 C ATOM 1547 CE2 PHE A 96 3.549 -14.285 5.840 1.00 0.00 C ATOM 1548 CZ PHE A 96 3.669 -15.255 4.785 1.00 0.00 C ATOM 0 H PHE A 96 3.264 -10.486 1.423 1.00 0.00 H new ATOM 0 HA PHE A 96 2.606 -10.342 4.284 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.403 -10.978 3.262 1.00 0.00 H new ATOM 0 HB3 PHE A 96 4.991 -10.581 4.918 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.730 -13.156 2.236 1.00 0.00 H new ATOM 0 HD2 PHE A 96 3.770 -12.176 6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.187 -15.574 2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.226 -14.593 6.824 1.00 0.00 H new ATOM 0 HZ PHE A 96 3.437 -16.292 4.977 1.00 0.00 H new ATOM 1558 N LEU A 97 3.360 -8.005 4.285 1.00 0.00 N ATOM 1559 CA LEU A 97 3.661 -6.594 4.143 1.00 0.00 C ATOM 1560 C LEU A 97 5.048 -6.313 4.725 1.00 0.00 C ATOM 1561 O LEU A 97 5.221 -6.094 5.917 1.00 0.00 O ATOM 1562 CB LEU A 97 2.600 -5.758 4.859 1.00 0.00 C ATOM 1563 CG LEU A 97 1.200 -6.006 4.296 1.00 0.00 C ATOM 1564 CD1 LEU A 97 0.156 -5.202 5.071 1.00 0.00 C ATOM 1565 CD2 LEU A 97 1.144 -5.664 2.807 1.00 0.00 C ATOM 0 H LEU A 97 2.889 -8.287 5.145 1.00 0.00 H new ATOM 0 HA LEU A 97 3.656 -6.323 3.087 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.610 -5.994 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.847 -4.701 4.764 1.00 0.00 H new ATOM 0 HG LEU A 97 0.972 -7.066 4.411 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.833 -5.393 4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.172 -5.500 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.384 -4.139 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.138 -5.848 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.398 -4.614 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.856 -6.286 2.264 1.00 0.00 H new ATOM 1577 N ARG A 98 6.016 -6.336 3.790 1.00 0.00 N ATOM 1578 CA ARG A 98 7.389 -6.133 4.192 1.00 0.00 C ATOM 1579 C ARG A 98 7.851 -4.732 3.787 1.00 0.00 C ATOM 1580 O ARG A 98 7.410 -4.163 2.794 1.00 0.00 O ATOM 1581 CB ARG A 98 8.257 -7.185 3.508 1.00 0.00 C ATOM 1582 CG ARG A 98 8.161 -7.101 1.984 1.00 0.00 C ATOM 1583 CD ARG A 98 9.028 -8.157 1.297 1.00 0.00 C ATOM 1584 NE ARG A 98 10.419 -7.984 1.669 1.00 0.00 N ATOM 1585 CZ ARG A 98 10.865 -8.561 2.800 1.00 0.00 C ATOM 1586 NH1 ARG A 98 10.041 -9.279 3.558 1.00 0.00 N ATOM 1587 NH2 ARG A 98 12.137 -8.414 3.162 1.00 0.00 N ATOM 0 H ARG A 98 5.867 -6.488 2.792 1.00 0.00 H new ATOM 0 HA ARG A 98 7.476 -6.227 5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.295 -7.054 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 98 7.951 -8.178 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.123 -7.229 1.678 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.470 -6.109 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.690 -9.154 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 98 8.921 -8.078 0.215 1.00 0.00 H new ATOM 0 HE ARG A 98 11.048 -7.435 1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.066 -9.395 3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.385 -9.714 4.414 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.772 -7.865 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.477 -8.850 4.019 1.00 0.00 H new ATOM 1601 N ASP A 99 8.769 -4.224 4.629 1.00 0.00 N ATOM 1602 CA ASP A 99 9.329 -2.921 4.330 1.00 0.00 C ATOM 1603 C ASP A 99 9.740 -2.873 2.858 1.00 0.00 C ATOM 1604 O ASP A 99 10.570 -3.643 2.390 1.00 0.00 O ATOM 1605 CB ASP A 99 10.538 -2.658 5.227 1.00 0.00 C ATOM 1606 CG ASP A 99 10.117 -2.715 6.697 1.00 0.00 C ATOM 1607 OD1 ASP A 99 8.916 -2.717 6.964 1.00 0.00 O ATOM 1608 OD2 ASP A 99 10.995 -2.760 7.558 1.00 0.00 O ATOM 0 H ASP A 99 9.116 -4.677 5.475 1.00 0.00 H new ATOM 0 HA ASP A 99 8.582 -2.150 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.314 -3.398 5.033 1.00 0.00 H new ATOM 0 HB3 ASP A 99 10.965 -1.681 4.999 1.00 0.00 H new ATOM 1613 N ILE A 100 9.092 -1.920 2.166 1.00 0.00 N ATOM 1614 CA ILE A 100 9.344 -1.799 0.744 1.00 0.00 C ATOM 1615 C ILE A 100 10.751 -1.264 0.470 1.00 0.00 C ATOM 1616 O ILE A 100 11.458 -1.715 -0.423 1.00 0.00 O ATOM 1617 CB ILE A 100 8.280 -0.893 0.131 1.00 0.00 C ATOM 1618 CG1 ILE A 100 8.425 -0.829 -1.385 1.00 0.00 C ATOM 1619 CG2 ILE A 100 8.336 0.506 0.741 1.00 0.00 C ATOM 1620 CD1 ILE A 100 7.355 0.061 -2.012 1.00 0.00 C ATOM 0 H ILE A 100 8.423 -1.257 2.556 1.00 0.00 H new ATOM 0 HA ILE A 100 9.288 -2.786 0.284 1.00 0.00 H new ATOM 0 HB ILE A 100 7.304 -1.322 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.413 -0.447 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.354 -1.834 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.568 1.132 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.164 0.442 1.815 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.317 0.944 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.489 0.084 -3.094 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.368 -0.336 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.444 1.072 -1.614 1.00 0.00 H new ATOM 1632 N GLU A 101 11.090 -0.270 1.301 1.00 0.00 N ATOM 1633 CA GLU A 101 12.339 0.425 1.108 1.00 0.00 C ATOM 1634 C GLU A 101 13.215 0.296 2.355 1.00 0.00 C ATOM 1635 O GLU A 101 12.811 0.621 3.465 1.00 0.00 O ATOM 1636 CB GLU A 101 12.009 1.885 0.825 1.00 0.00 C ATOM 1637 CG GLU A 101 13.221 2.610 0.266 1.00 0.00 C ATOM 1638 CD GLU A 101 14.343 2.640 1.306 1.00 0.00 C ATOM 1639 OE1 GLU A 101 14.168 3.284 2.339 1.00 0.00 O ATOM 1640 OE2 GLU A 101 15.377 2.019 1.070 1.00 0.00 O ATOM 0 H GLU A 101 10.526 0.054 2.087 1.00 0.00 H new ATOM 0 HA GLU A 101 12.896 -0.003 0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.183 1.946 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.678 2.373 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.567 2.111 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.948 3.627 -0.015 1.00 0.00 H new ATOM 1647 N GLN A 102 14.437 -0.203 2.096 1.00 0.00 N ATOM 1648 CA GLN A 102 15.348 -0.377 3.211 1.00 0.00 C ATOM 1649 C GLN A 102 16.734 0.158 2.845 1.00 0.00 C ATOM 1650 O GLN A 102 17.393 -0.323 1.931 1.00 0.00 O ATOM 1651 CB GLN A 102 15.438 -1.859 3.576 1.00 0.00 C ATOM 1652 CG GLN A 102 16.369 -2.095 4.766 1.00 0.00 C ATOM 1653 CD GLN A 102 16.431 -3.589 5.090 1.00 0.00 C ATOM 1654 OE1 GLN A 102 16.871 -4.408 4.292 1.00 0.00 O ATOM 1655 NE2 GLN A 102 15.962 -3.880 6.317 1.00 0.00 N ATOM 0 H GLN A 102 14.790 -0.475 1.179 1.00 0.00 H new ATOM 0 HA GLN A 102 14.973 0.180 4.069 1.00 0.00 H new ATOM 0 HB2 GLN A 102 14.443 -2.236 3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 102 15.797 -2.424 2.716 1.00 0.00 H new ATOM 0 HG2 GLN A 102 17.367 -1.722 4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 102 16.012 -1.540 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 102 15.613 -3.135 6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 102 15.956 -4.846 6.645 1.00 0.00 H new ATOM 1664 N VAL A 103 17.125 1.180 3.629 1.00 0.00 N ATOM 1665 CA VAL A 103 18.446 1.755 3.426 1.00 0.00 C ATOM 1666 C VAL A 103 19.371 1.389 4.597 1.00 0.00 C ATOM 1667 O VAL A 103 20.367 0.697 4.422 1.00 0.00 O ATOM 1668 CB VAL A 103 18.410 3.266 3.158 1.00 0.00 C ATOM 1669 CG1 VAL A 103 19.006 3.562 1.785 1.00 0.00 C ATOM 1670 CG2 VAL A 103 16.997 3.852 3.244 1.00 0.00 C ATOM 0 H VAL A 103 16.568 1.601 4.372 1.00 0.00 H new ATOM 0 HA VAL A 103 18.858 1.316 2.517 1.00 0.00 H new ATOM 0 HB VAL A 103 19.003 3.742 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 103 18.978 4.636 1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.039 3.215 1.754 1.00 0.00 H new ATOM 0 HG13 VAL A 103 18.427 3.047 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 103 17.035 4.923 3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.357 3.368 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 103 16.593 3.682 4.242 1.00 0.00 H new ATOM 1680 N PRO A 104 18.991 1.865 5.807 1.00 0.00 N ATOM 1681 CA PRO A 104 19.691 1.504 7.029 1.00 0.00 C ATOM 1682 C PRO A 104 19.924 0.003 7.163 1.00 0.00 C ATOM 1683 O PRO A 104 19.022 -0.809 7.001 1.00 0.00 O ATOM 1684 CB PRO A 104 18.776 1.959 8.160 1.00 0.00 C ATOM 1685 CG PRO A 104 17.842 3.005 7.537 1.00 0.00 C ATOM 1686 CD PRO A 104 17.839 2.729 6.033 1.00 0.00 C ATOM 0 HA PRO A 104 20.677 1.968 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 104 18.210 1.121 8.568 1.00 0.00 H new ATOM 0 HB3 PRO A 104 19.351 2.386 8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 104 16.836 2.925 7.950 1.00 0.00 H new ATOM 0 HG3 PRO A 104 18.193 4.015 7.747 1.00 0.00 H new ATOM 0 HD2 PRO A 104 16.914 2.243 5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 104 17.921 3.654 5.462 1.00 0.00 H new ATOM 1694 N GLN A 105 21.198 -0.292 7.468 1.00 0.00 N ATOM 1695 CA GLN A 105 21.577 -1.664 7.738 1.00 0.00 C ATOM 1696 C GLN A 105 21.756 -2.431 6.427 1.00 0.00 C ATOM 1697 O GLN A 105 21.146 -3.468 6.193 1.00 0.00 O ATOM 1698 CB GLN A 105 20.548 -2.344 8.641 1.00 0.00 C ATOM 1699 CG GLN A 105 20.226 -1.483 9.862 1.00 0.00 C ATOM 1700 CD GLN A 105 21.493 -1.267 10.693 1.00 0.00 C ATOM 1701 OE1 GLN A 105 22.380 -0.503 10.335 1.00 0.00 O ATOM 1702 NE2 GLN A 105 21.506 -1.991 11.828 1.00 0.00 N ATOM 0 H GLN A 105 21.955 0.389 7.530 1.00 0.00 H new ATOM 0 HA GLN A 105 22.531 -1.665 8.266 1.00 0.00 H new ATOM 0 HB2 GLN A 105 19.635 -2.534 8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 105 20.929 -3.312 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 105 19.820 -0.522 9.544 1.00 0.00 H new ATOM 0 HG3 GLN A 105 19.461 -1.967 10.468 1.00 0.00 H new ATOM 0 HE21 GLN A 105 20.723 -2.605 12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 105 22.299 -1.925 12.466 1.00 0.00 H new ATOM 1711 N GLN A 106 22.638 -1.847 5.597 1.00 0.00 N ATOM 1712 CA GLN A 106 22.914 -2.485 4.325 1.00 0.00 C ATOM 1713 C GLN A 106 23.700 -3.777 4.568 1.00 0.00 C ATOM 1714 O GLN A 106 24.413 -3.919 5.554 1.00 0.00 O ATOM 1715 CB GLN A 106 23.716 -1.528 3.442 1.00 0.00 C ATOM 1716 CG GLN A 106 25.113 -1.262 4.004 1.00 0.00 C ATOM 1717 CD GLN A 106 25.928 -0.475 2.978 1.00 0.00 C ATOM 1718 OE1 GLN A 106 26.556 0.533 3.279 1.00 0.00 O ATOM 1719 NE2 GLN A 106 25.863 -1.011 1.746 1.00 0.00 N ATOM 0 H GLN A 106 23.142 -0.980 5.780 1.00 0.00 H new ATOM 0 HA GLN A 106 21.980 -2.730 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 106 23.803 -1.947 2.439 1.00 0.00 H new ATOM 0 HB3 GLN A 106 23.178 -0.585 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 106 25.042 -0.702 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 106 25.610 -2.204 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 106 25.314 -1.855 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 106 26.363 -0.573 0.972 1.00 0.00 H new ATOM 1728 N PRO A 107 23.520 -4.719 3.616 1.00 0.00 N ATOM 1729 CA PRO A 107 24.138 -6.034 3.697 1.00 0.00 C ATOM 1730 C PRO A 107 25.637 -5.958 3.404 1.00 0.00 C ATOM 1731 O PRO A 107 26.064 -5.543 2.334 1.00 0.00 O ATOM 1732 CB PRO A 107 23.428 -6.845 2.612 1.00 0.00 C ATOM 1733 CG PRO A 107 22.894 -5.807 1.619 1.00 0.00 C ATOM 1734 CD PRO A 107 22.681 -4.533 2.440 1.00 0.00 C ATOM 0 HA PRO A 107 24.043 -6.473 4.690 1.00 0.00 H new ATOM 0 HB2 PRO A 107 24.115 -7.538 2.126 1.00 0.00 H new ATOM 0 HB3 PRO A 107 22.618 -7.441 3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 107 23.602 -5.638 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 107 21.962 -6.142 1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 107 22.973 -3.645 1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 107 21.634 -4.407 2.714 1.00 0.00 H new ATOM 1742 N THR A 108 26.383 -6.387 4.442 1.00 0.00 N ATOM 1743 CA THR A 108 27.837 -6.378 4.404 1.00 0.00 C ATOM 1744 C THR A 108 28.362 -5.211 5.244 1.00 0.00 C ATOM 1745 O THR A 108 28.149 -4.045 4.935 1.00 0.00 O ATOM 1746 CB THR A 108 28.375 -6.283 2.975 1.00 0.00 C ATOM 1747 OG1 THR A 108 27.719 -7.221 2.161 1.00 0.00 O ATOM 1748 CG2 THR A 108 29.881 -6.542 2.928 1.00 0.00 C ATOM 0 H THR A 108 25.990 -6.743 5.313 1.00 0.00 H new ATOM 0 HA THR A 108 28.189 -7.323 4.819 1.00 0.00 H new ATOM 0 HB THR A 108 28.188 -5.273 2.611 1.00 0.00 H new ATOM 0 HG1 THR A 108 27.104 -6.756 1.556 1.00 0.00 H new ATOM 0 HG21 THR A 108 30.231 -6.467 1.898 1.00 0.00 H new ATOM 0 HG22 THR A 108 30.397 -5.803 3.541 1.00 0.00 H new ATOM 0 HG23 THR A 108 30.091 -7.541 3.311 1.00 0.00 H new ATOM 1756 N TYR A 109 29.059 -5.609 6.322 1.00 0.00 N ATOM 1757 CA TYR A 109 29.590 -4.588 7.204 1.00 0.00 C ATOM 1758 C TYR A 109 30.323 -3.526 6.381 1.00 0.00 C ATOM 1759 O TYR A 109 31.316 -3.794 5.717 1.00 0.00 O ATOM 1760 CB TYR A 109 30.541 -5.223 8.218 1.00 0.00 C ATOM 1761 CG TYR A 109 31.068 -4.202 9.183 1.00 0.00 C ATOM 1762 CD1 TYR A 109 30.362 -3.932 10.410 1.00 0.00 C ATOM 1763 CD2 TYR A 109 32.283 -3.486 8.891 1.00 0.00 C ATOM 1764 CE1 TYR A 109 30.865 -2.953 11.336 1.00 0.00 C ATOM 1765 CE2 TYR A 109 32.790 -2.507 9.816 1.00 0.00 C ATOM 1766 CZ TYR A 109 32.079 -2.240 11.039 1.00 0.00 C ATOM 1767 OH TYR A 109 32.564 -1.301 11.927 1.00 0.00 O ATOM 0 H TYR A 109 29.254 -6.575 6.584 1.00 0.00 H new ATOM 0 HA TYR A 109 28.770 -4.113 7.742 1.00 0.00 H new ATOM 0 HB2 TYR A 109 30.021 -6.009 8.765 1.00 0.00 H new ATOM 0 HB3 TYR A 109 31.372 -5.695 7.694 1.00 0.00 H new ATOM 0 HD1 TYR A 109 29.451 -4.467 10.635 1.00 0.00 H new ATOM 0 HD2 TYR A 109 32.816 -3.685 7.973 1.00 0.00 H new ATOM 0 HE1 TYR A 109 30.332 -2.753 12.254 1.00 0.00 H new ATOM 0 HE2 TYR A 109 33.702 -1.974 9.593 1.00 0.00 H new ATOM 0 HH TYR A 109 33.392 -0.914 11.574 1.00 0.00 H new ATOM 1777 N VAL A 110 29.759 -2.308 6.475 1.00 0.00 N ATOM 1778 CA VAL A 110 30.366 -1.217 5.739 1.00 0.00 C ATOM 1779 C VAL A 110 31.215 -0.365 6.684 1.00 0.00 C ATOM 1780 O VAL A 110 30.739 0.168 7.678 1.00 0.00 O ATOM 1781 CB VAL A 110 29.276 -0.364 5.090 1.00 0.00 C ATOM 1782 CG1 VAL A 110 28.333 0.197 6.151 1.00 0.00 C ATOM 1783 CG2 VAL A 110 29.890 0.762 4.257 1.00 0.00 C ATOM 0 H VAL A 110 28.931 -2.074 7.024 1.00 0.00 H new ATOM 0 HA VAL A 110 31.009 -1.621 4.957 1.00 0.00 H new ATOM 0 HB VAL A 110 28.697 -1.000 4.420 1.00 0.00 H new ATOM 0 HG11 VAL A 110 27.564 0.802 5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 110 27.864 -0.625 6.692 1.00 0.00 H new ATOM 0 HG13 VAL A 110 28.897 0.815 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 110 29.095 1.355 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 110 30.498 1.399 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 110 30.515 0.335 3.472 1.00 0.00 H new ATOM 1793 N GLN A 111 32.502 -0.279 6.302 1.00 0.00 N ATOM 1794 CA GLN A 111 33.399 0.513 7.120 1.00 0.00 C ATOM 1795 C GLN A 111 33.496 1.931 6.551 1.00 0.00 C ATOM 1796 O GLN A 111 34.269 2.213 5.644 1.00 0.00 O ATOM 1797 CB GLN A 111 34.781 -0.140 7.151 1.00 0.00 C ATOM 1798 CG GLN A 111 35.760 0.638 8.030 1.00 0.00 C ATOM 1799 CD GLN A 111 35.230 0.704 9.464 1.00 0.00 C ATOM 1800 OE1 GLN A 111 34.297 1.434 9.777 1.00 0.00 O ATOM 1801 NE2 GLN A 111 35.894 -0.107 10.308 1.00 0.00 N ATOM 0 H GLN A 111 32.914 -0.723 5.481 1.00 0.00 H new ATOM 0 HA GLN A 111 33.012 0.566 8.138 1.00 0.00 H new ATOM 0 HB2 GLN A 111 34.692 -1.161 7.523 1.00 0.00 H new ATOM 0 HB3 GLN A 111 35.175 -0.203 6.137 1.00 0.00 H new ATOM 0 HG2 GLN A 111 36.738 0.156 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 111 35.895 1.645 7.636 1.00 0.00 H new ATOM 0 HE21 GLN A 111 36.661 -0.684 9.963 1.00 0.00 H new ATOM 0 HE22 GLN A 111 35.630 -0.145 11.292 1.00 0.00 H new ATOM 1810 N ALA A 112 32.659 2.795 7.153 1.00 0.00 N ATOM 1811 CA ALA A 112 32.651 4.179 6.716 1.00 0.00 C ATOM 1812 C ALA A 112 32.721 4.251 5.189 1.00 0.00 C ATOM 1813 O ALA A 112 32.301 3.297 4.536 1.00 0.00 O ATOM 1814 CB ALA A 112 33.834 4.924 7.336 1.00 0.00 C ATOM 1815 OXT ALA A 112 33.199 5.258 4.669 1.00 0.00 O ATOM 0 H ALA A 112 32.012 2.564 7.907 1.00 0.00 H new ATOM 0 HA ALA A 112 31.724 4.650 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 112 33.824 5.962 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 112 33.757 4.889 8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 112 34.765 4.453 7.023 1.00 0.00 H new TER 1821 ALA A 112