USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 749 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 83 ASN :FLIP amide:sc= -3.34! C(o=-4.3!,f=-1.9!) USER MOD Set 1.2: A 96 THR OG1 : rot 113:sc= 1.22 USER MOD Set 1.3: A 98 SER OG : rot 168:sc= 0.206 USER MOD Set 2.1: A 73 SER OG : rot 107:sc= -0.75! USER MOD Set 2.2: A 82 HIS : no HE2:sc= -3.79! C(o=-4.5!,f=-12!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.117 USER MOD Single : A 17 ASN :FLIP amide:sc= -0.374 F(o=-1.3,f=-0.37) USER MOD Single : A 19 GLN : amide:sc= -0.0873 X(o=-0.087,f=0) USER MOD Single : A 29 SER OG : rot 54:sc= 0.82 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 33 TYR OH : rot 130:sc= -1.11 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -8.4! C(o=-8.4!,f=-8.7!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -20:sc= -3.73! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -5.99! C(o=-6!,f=-6.4!) USER MOD Single : A 68 SER OG : rot -26:sc= 0.945 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0652 X(o=-0.065,f=0) USER MOD Single : A 76 SER OG : rot 49:sc= 0.961 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc=-0.00704 X(o=-0.007,f=-0.0053) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 73:sc= 0.729 USER MOD Single : A 97 TYR OH : rot -111:sc= -2.2 USER MOD Single : A 100 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.5!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -4.83! C(o=-4.8!,f=-4.6!) USER MOD Single : A 109 SER OG : rot 180:sc= -1.9! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 47:sc= 0.00343 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 25 N ARG A 8 30.439 -2.951 4.203 1.00 0.00 N ATOM 26 CA ARG A 8 29.051 -2.881 3.764 1.00 0.00 C ATOM 27 C ARG A 8 28.739 -1.524 3.146 1.00 0.00 C ATOM 28 O ARG A 8 29.635 -0.711 2.916 1.00 0.00 O ATOM 29 CB ARG A 8 28.107 -3.149 4.937 1.00 0.00 C ATOM 30 CG ARG A 8 28.526 -4.332 5.796 1.00 0.00 C ATOM 31 CD ARG A 8 27.932 -4.246 7.193 1.00 0.00 C ATOM 32 NE ARG A 8 27.468 -5.545 7.673 1.00 0.00 N ATOM 33 CZ ARG A 8 26.771 -5.711 8.792 1.00 0.00 C ATOM 34 NH1 ARG A 8 26.386 -6.925 9.162 1.00 0.00 N ATOM 35 NH2 ARG A 8 26.457 -4.664 9.542 1.00 0.00 N ATOM 0 HA ARG A 8 28.901 -3.647 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.055 -2.257 5.562 1.00 0.00 H new ATOM 0 HB3 ARG A 8 27.103 -3.328 4.552 1.00 0.00 H new ATOM 0 HG2 ARG A 8 28.207 -5.259 5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 8 29.613 -4.367 5.864 1.00 0.00 H new ATOM 0 HD2 ARG A 8 28.680 -3.852 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 8 27.099 -3.542 7.190 1.00 0.00 H new ATOM 0 HE ARG A 8 27.692 -6.371 7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 8 26.625 -7.733 8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 8 25.851 -7.051 10.021 1.00 0.00 H new ATOM 0 HH21 ARG A 8 26.751 -3.729 9.260 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.922 -4.794 10.401 1.00 0.00 H new ATOM 49 N CYS A 9 27.461 -1.291 2.874 1.00 0.00 N ATOM 50 CA CYS A 9 27.019 -0.041 2.274 1.00 0.00 C ATOM 51 C CYS A 9 26.671 0.987 3.347 1.00 0.00 C ATOM 52 O CYS A 9 26.436 0.635 4.503 1.00 0.00 O ATOM 53 CB CYS A 9 25.806 -0.294 1.380 1.00 0.00 C ATOM 54 SG CYS A 9 26.208 -1.059 -0.223 1.00 0.00 S ATOM 0 H CYS A 9 26.710 -1.956 3.061 1.00 0.00 H new ATOM 0 HA CYS A 9 27.835 0.358 1.671 1.00 0.00 H new ATOM 0 HB2 CYS A 9 25.105 -0.937 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.297 0.653 1.201 1.00 0.00 H new ATOM 59 N PRO A 10 26.636 2.278 2.977 1.00 0.00 N ATOM 60 CA PRO A 10 26.315 3.357 3.914 1.00 0.00 C ATOM 61 C PRO A 10 24.850 3.337 4.332 1.00 0.00 C ATOM 62 O PRO A 10 24.072 2.508 3.861 1.00 0.00 O ATOM 63 CB PRO A 10 26.633 4.626 3.124 1.00 0.00 C ATOM 64 CG PRO A 10 26.481 4.228 1.700 1.00 0.00 C ATOM 65 CD PRO A 10 26.902 2.787 1.620 1.00 0.00 C ATOM 0 HA PRO A 10 26.878 3.272 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 10 25.952 5.436 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 10 27.643 4.980 3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 10 25.450 4.351 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 10 27.099 4.851 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 10 26.331 2.243 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 10 27.954 2.690 1.354 1.00 0.00 H new ATOM 73 N SER A 11 24.481 4.251 5.221 1.00 0.00 N ATOM 74 CA SER A 11 23.112 4.334 5.703 1.00 0.00 C ATOM 75 C SER A 11 22.126 4.428 4.538 1.00 0.00 C ATOM 76 O SER A 11 22.107 5.425 3.816 1.00 0.00 O ATOM 77 CB SER A 11 22.958 5.552 6.614 1.00 0.00 C ATOM 78 OG SER A 11 24.005 6.483 6.403 1.00 0.00 O ATOM 0 H SER A 11 25.113 4.945 5.622 1.00 0.00 H new ATOM 0 HA SER A 11 22.890 3.427 6.266 1.00 0.00 H new ATOM 0 HB2 SER A 11 21.997 6.032 6.426 1.00 0.00 H new ATOM 0 HB3 SER A 11 22.956 5.233 7.656 1.00 0.00 H new ATOM 0 HG SER A 11 23.882 7.253 6.996 1.00 0.00 H new ATOM 84 N PRO A 12 21.294 3.391 4.331 1.00 0.00 N ATOM 85 CA PRO A 12 20.307 3.381 3.246 1.00 0.00 C ATOM 86 C PRO A 12 19.309 4.527 3.371 1.00 0.00 C ATOM 87 O PRO A 12 19.011 4.984 4.474 1.00 0.00 O ATOM 88 CB PRO A 12 19.598 2.031 3.401 1.00 0.00 C ATOM 89 CG PRO A 12 19.885 1.597 4.798 1.00 0.00 C ATOM 90 CD PRO A 12 21.235 2.158 5.136 1.00 0.00 C ATOM 0 HA PRO A 12 20.776 3.510 2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.526 2.128 3.231 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.971 1.305 2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.125 1.968 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 12 19.883 0.510 4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.330 2.367 6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 12 22.036 1.467 4.874 1.00 0.00 H new ATOM 98 N ARG A 13 18.811 5.002 2.234 1.00 0.00 N ATOM 99 CA ARG A 13 17.835 6.082 2.226 1.00 0.00 C ATOM 100 C ARG A 13 16.615 5.681 3.036 1.00 0.00 C ATOM 101 O ARG A 13 16.514 4.545 3.489 1.00 0.00 O ATOM 102 CB ARG A 13 17.428 6.428 0.793 1.00 0.00 C ATOM 103 CG ARG A 13 18.162 7.634 0.228 1.00 0.00 C ATOM 104 CD ARG A 13 17.282 8.422 -0.727 1.00 0.00 C ATOM 105 NE ARG A 13 17.793 9.771 -0.958 1.00 0.00 N ATOM 106 CZ ARG A 13 17.201 10.655 -1.754 1.00 0.00 C ATOM 107 NH1 ARG A 13 17.726 11.862 -1.914 1.00 0.00 N ATOM 108 NH2 ARG A 13 16.083 10.334 -2.391 1.00 0.00 N ATOM 0 H ARG A 13 19.067 4.656 1.309 1.00 0.00 H new ATOM 0 HA ARG A 13 18.287 6.965 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.615 5.566 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.355 6.619 0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.485 8.280 1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 13 19.061 7.304 -0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.214 7.893 -1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.272 8.482 -0.323 1.00 0.00 H new ATOM 0 HE ARG A 13 18.651 10.049 -0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 13 18.586 12.113 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.270 12.539 -2.525 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.676 9.407 -2.270 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.631 11.014 -3.001 1.00 0.00 H new ATOM 122 N ASP A 14 15.698 6.616 3.230 1.00 0.00 N ATOM 123 CA ASP A 14 14.506 6.339 4.015 1.00 0.00 C ATOM 124 C ASP A 14 13.240 6.761 3.281 1.00 0.00 C ATOM 125 O ASP A 14 13.285 7.177 2.123 1.00 0.00 O ATOM 126 CB ASP A 14 14.589 7.054 5.362 1.00 0.00 C ATOM 127 CG ASP A 14 14.589 6.089 6.531 1.00 0.00 C ATOM 128 OD1 ASP A 14 13.652 6.154 7.355 1.00 0.00 O ATOM 129 OD2 ASP A 14 15.525 5.267 6.622 1.00 0.00 O ATOM 0 H ASP A 14 15.755 7.564 2.859 1.00 0.00 H new ATOM 0 HA ASP A 14 14.457 5.262 4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 14 15.495 7.659 5.394 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.746 7.738 5.459 1.00 0.00 H new ATOM 134 N ILE A 15 12.111 6.643 3.969 1.00 0.00 N ATOM 135 CA ILE A 15 10.820 7.003 3.397 1.00 0.00 C ATOM 136 C ILE A 15 9.933 7.677 4.439 1.00 0.00 C ATOM 137 O ILE A 15 10.027 7.384 5.631 1.00 0.00 O ATOM 138 CB ILE A 15 10.095 5.767 2.832 1.00 0.00 C ATOM 139 CG1 ILE A 15 8.808 6.182 2.116 1.00 0.00 C ATOM 140 CG2 ILE A 15 9.793 4.774 3.943 1.00 0.00 C ATOM 141 CD1 ILE A 15 8.472 5.308 0.929 1.00 0.00 C ATOM 0 H ILE A 15 12.064 6.299 4.928 1.00 0.00 H new ATOM 0 HA ILE A 15 11.011 7.701 2.582 1.00 0.00 H new ATOM 0 HB ILE A 15 10.750 5.283 2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.981 6.152 2.825 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.904 7.215 1.781 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.281 3.907 3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.725 4.455 4.410 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.156 5.247 4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.548 5.659 0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.281 5.357 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.344 4.278 1.261 1.00 0.00 H new ATOM 153 N ASP A 16 9.079 8.588 3.984 1.00 0.00 N ATOM 154 CA ASP A 16 8.189 9.315 4.882 1.00 0.00 C ATOM 155 C ASP A 16 6.920 8.519 5.166 1.00 0.00 C ATOM 156 O ASP A 16 6.609 8.219 6.319 1.00 0.00 O ATOM 157 CB ASP A 16 7.826 10.674 4.280 1.00 0.00 C ATOM 158 CG ASP A 16 9.012 11.347 3.617 1.00 0.00 C ATOM 159 OD1 ASP A 16 10.157 10.922 3.878 1.00 0.00 O ATOM 160 OD2 ASP A 16 8.796 12.299 2.838 1.00 0.00 O ATOM 0 H ASP A 16 8.984 8.840 3.000 1.00 0.00 H new ATOM 0 HA ASP A 16 8.715 9.467 5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 16 7.030 10.543 3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.435 11.323 5.064 1.00 0.00 H new ATOM 165 N ASN A 17 6.188 8.183 4.109 1.00 0.00 N ATOM 166 CA ASN A 17 4.945 7.430 4.248 1.00 0.00 C ATOM 167 C ASN A 17 5.196 5.936 4.095 1.00 0.00 C ATOM 168 O ASN A 17 4.409 5.222 3.473 1.00 0.00 O ATOM 169 CB ASN A 17 3.915 7.897 3.214 1.00 0.00 C ATOM 170 CG ASN A 17 4.035 9.375 2.886 1.00 0.00 C ATOM 171 OD1 ASN A 17 4.455 10.170 3.866 1.00 0.00 O flip ATOM 172 ND2 ASN A 17 3.763 9.796 1.762 1.00 0.00 N flip ATOM 0 H ASN A 17 6.433 8.419 3.147 1.00 0.00 H new ATOM 0 HA ASN A 17 4.550 7.614 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.036 7.316 2.300 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.912 7.694 3.590 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.444 9.151 1.039 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.857 10.790 1.553 1.00 0.00 H new ATOM 179 N GLY A 18 6.292 5.468 4.677 1.00 0.00 N ATOM 180 CA GLY A 18 6.630 4.061 4.601 1.00 0.00 C ATOM 181 C GLY A 18 7.679 3.655 5.619 1.00 0.00 C ATOM 182 O GLY A 18 8.156 4.485 6.393 1.00 0.00 O ATOM 0 H GLY A 18 6.954 6.039 5.202 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.730 3.466 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.994 3.833 3.599 1.00 0.00 H new ATOM 186 N GLN A 19 8.044 2.377 5.611 1.00 0.00 N ATOM 187 CA GLN A 19 9.050 1.860 6.533 1.00 0.00 C ATOM 188 C GLN A 19 9.975 0.879 5.820 1.00 0.00 C ATOM 189 O GLN A 19 9.518 0.007 5.080 1.00 0.00 O ATOM 190 CB GLN A 19 8.385 1.168 7.730 1.00 0.00 C ATOM 191 CG GLN A 19 6.998 1.699 8.062 1.00 0.00 C ATOM 192 CD GLN A 19 6.685 1.630 9.544 1.00 0.00 C ATOM 193 OE1 GLN A 19 6.158 2.580 10.123 1.00 0.00 O ATOM 194 NE2 GLN A 19 7.006 0.501 10.165 1.00 0.00 N ATOM 0 H GLN A 19 7.658 1.679 4.975 1.00 0.00 H new ATOM 0 HA GLN A 19 9.638 2.703 6.896 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.314 0.100 7.525 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.025 1.283 8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.919 2.733 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.252 1.127 7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.442 -0.261 9.645 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.817 0.396 11.162 1.00 0.00 H new ATOM 203 N LEU A 20 11.276 1.024 6.046 1.00 0.00 N ATOM 204 CA LEU A 20 12.263 0.163 5.416 1.00 0.00 C ATOM 205 C LEU A 20 12.340 -1.197 6.097 1.00 0.00 C ATOM 206 O LEU A 20 12.020 -1.336 7.278 1.00 0.00 O ATOM 207 CB LEU A 20 13.634 0.824 5.466 1.00 0.00 C ATOM 208 CG LEU A 20 13.951 1.745 4.293 1.00 0.00 C ATOM 209 CD1 LEU A 20 15.272 2.444 4.533 1.00 0.00 C ATOM 210 CD2 LEU A 20 12.840 2.762 4.091 1.00 0.00 C ATOM 0 H LEU A 20 11.670 1.733 6.664 1.00 0.00 H new ATOM 0 HA LEU A 20 11.955 0.012 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.710 1.398 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.395 0.045 5.512 1.00 0.00 H new ATOM 0 HG LEU A 20 14.027 1.144 3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.494 3.101 3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.211 3.034 5.448 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.064 1.701 4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.087 3.409 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.904 2.242 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.731 3.366 4.992 1.00 0.00 H new ATOM 222 N ASP A 21 12.803 -2.187 5.346 1.00 0.00 N ATOM 223 CA ASP A 21 13.001 -3.530 5.871 1.00 0.00 C ATOM 224 C ASP A 21 14.407 -3.998 5.525 1.00 0.00 C ATOM 225 O ASP A 21 14.603 -4.782 4.596 1.00 0.00 O ATOM 226 CB ASP A 21 11.963 -4.494 5.297 1.00 0.00 C ATOM 227 CG ASP A 21 11.930 -5.816 6.038 1.00 0.00 C ATOM 228 OD1 ASP A 21 11.616 -5.811 7.247 1.00 0.00 O ATOM 229 OD2 ASP A 21 12.217 -6.857 5.410 1.00 0.00 O ATOM 0 H ASP A 21 13.050 -2.083 4.362 1.00 0.00 H new ATOM 0 HA ASP A 21 12.879 -3.513 6.954 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.977 -4.031 5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.183 -4.676 4.245 1.00 0.00 H new ATOM 234 N ILE A 22 15.389 -3.445 6.231 1.00 0.00 N ATOM 235 CA ILE A 22 16.792 -3.738 5.960 1.00 0.00 C ATOM 236 C ILE A 22 17.205 -5.096 6.506 1.00 0.00 C ATOM 237 O ILE A 22 17.470 -5.246 7.698 1.00 0.00 O ATOM 238 CB ILE A 22 17.732 -2.661 6.548 1.00 0.00 C ATOM 239 CG1 ILE A 22 17.037 -1.287 6.572 1.00 0.00 C ATOM 240 CG2 ILE A 22 19.031 -2.611 5.752 1.00 0.00 C ATOM 241 CD1 ILE A 22 17.977 -0.104 6.702 1.00 0.00 C ATOM 0 H ILE A 22 15.238 -2.789 6.998 1.00 0.00 H new ATOM 0 HA ILE A 22 16.888 -3.743 4.874 1.00 0.00 H new ATOM 0 HB ILE A 22 17.973 -2.926 7.578 1.00 0.00 H new ATOM 0 HG12 ILE A 22 16.456 -1.173 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 22 16.332 -1.266 7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 22 19.687 -1.849 6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 22 19.525 -3.582 5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 22 18.812 -2.366 4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 22 17.399 0.820 6.710 1.00 0.00 H new ATOM 0 HD12 ILE A 22 18.541 -0.188 7.631 1.00 0.00 H new ATOM 0 HD13 ILE A 22 18.667 -0.093 5.858 1.00 0.00 H new ATOM 253 N GLY A 23 17.289 -6.076 5.615 1.00 0.00 N ATOM 254 CA GLY A 23 17.737 -7.395 6.006 1.00 0.00 C ATOM 255 C GLY A 23 19.197 -7.619 5.657 1.00 0.00 C ATOM 256 O GLY A 23 19.666 -8.757 5.619 1.00 0.00 O ATOM 0 H GLY A 23 17.054 -5.979 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.596 -7.524 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.125 -8.149 5.511 1.00 0.00 H new ATOM 260 N GLY A 24 19.915 -6.527 5.393 1.00 0.00 N ATOM 261 CA GLY A 24 21.318 -6.625 5.041 1.00 0.00 C ATOM 262 C GLY A 24 21.834 -5.361 4.380 1.00 0.00 C ATOM 263 O GLY A 24 21.203 -4.829 3.467 1.00 0.00 O ATOM 0 H GLY A 24 19.546 -5.576 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 24 21.902 -6.828 5.938 1.00 0.00 H new ATOM 0 HA3 GLY A 24 21.464 -7.470 4.368 1.00 0.00 H new ATOM 267 N VAL A 25 22.982 -4.878 4.843 1.00 0.00 N ATOM 268 CA VAL A 25 23.575 -3.662 4.297 1.00 0.00 C ATOM 269 C VAL A 25 24.892 -3.942 3.573 1.00 0.00 C ATOM 270 O VAL A 25 25.450 -3.052 2.931 1.00 0.00 O ATOM 271 CB VAL A 25 23.827 -2.616 5.400 1.00 0.00 C ATOM 272 CG1 VAL A 25 22.520 -2.221 6.071 1.00 0.00 C ATOM 273 CG2 VAL A 25 24.823 -3.144 6.421 1.00 0.00 C ATOM 0 H VAL A 25 23.520 -5.309 5.594 1.00 0.00 H new ATOM 0 HA VAL A 25 22.855 -3.269 3.579 1.00 0.00 H new ATOM 0 HB VAL A 25 24.254 -1.725 4.939 1.00 0.00 H new ATOM 0 HG11 VAL A 25 22.718 -1.482 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 25 21.844 -1.796 5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 25 22.060 -3.102 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 25 24.988 -2.391 7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 25 24.429 -4.051 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 25 25.767 -3.369 5.925 1.00 0.00 H new ATOM 283 N ASP A 26 25.392 -5.172 3.677 1.00 0.00 N ATOM 284 CA ASP A 26 26.648 -5.533 3.029 1.00 0.00 C ATOM 285 C ASP A 26 26.488 -5.586 1.517 1.00 0.00 C ATOM 286 O ASP A 26 25.373 -5.645 1.000 1.00 0.00 O ATOM 287 CB ASP A 26 27.154 -6.879 3.542 1.00 0.00 C ATOM 288 CG ASP A 26 28.587 -7.152 3.130 1.00 0.00 C ATOM 289 OD1 ASP A 26 29.361 -6.180 2.999 1.00 0.00 O ATOM 290 OD2 ASP A 26 28.935 -8.336 2.937 1.00 0.00 O ATOM 0 H ASP A 26 24.950 -5.928 4.199 1.00 0.00 H new ATOM 0 HA ASP A 26 27.379 -4.763 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 26 27.081 -6.901 4.629 1.00 0.00 H new ATOM 0 HB3 ASP A 26 26.512 -7.674 3.163 1.00 0.00 H new ATOM 295 N PHE A 27 27.615 -5.566 0.813 1.00 0.00 N ATOM 296 CA PHE A 27 27.606 -5.613 -0.643 1.00 0.00 C ATOM 297 C PHE A 27 26.819 -6.818 -1.137 1.00 0.00 C ATOM 298 O PHE A 27 27.213 -7.964 -0.920 1.00 0.00 O ATOM 299 CB PHE A 27 29.034 -5.663 -1.188 1.00 0.00 C ATOM 300 CG PHE A 27 29.105 -5.709 -2.690 1.00 0.00 C ATOM 301 CD1 PHE A 27 30.059 -6.488 -3.325 1.00 0.00 C ATOM 302 CD2 PHE A 27 28.221 -4.973 -3.466 1.00 0.00 C ATOM 303 CE1 PHE A 27 30.130 -6.534 -4.704 1.00 0.00 C ATOM 304 CE2 PHE A 27 28.288 -5.015 -4.847 1.00 0.00 C ATOM 305 CZ PHE A 27 29.245 -5.798 -5.465 1.00 0.00 C ATOM 0 H PHE A 27 28.546 -5.518 1.228 1.00 0.00 H new ATOM 0 HA PHE A 27 27.122 -4.707 -1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 27 29.580 -4.789 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 27 29.538 -6.540 -0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 27 30.755 -7.066 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 27 27.472 -4.360 -2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 27 30.878 -7.146 -5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 27 27.595 -4.438 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 27 29.300 -5.834 -6.543 1.00 0.00 H new ATOM 315 N GLY A 28 25.700 -6.551 -1.794 1.00 0.00 N ATOM 316 CA GLY A 28 24.863 -7.620 -2.296 1.00 0.00 C ATOM 317 C GLY A 28 23.563 -7.756 -1.525 1.00 0.00 C ATOM 318 O GLY A 28 22.691 -8.536 -1.908 1.00 0.00 O ATOM 0 H GLY A 28 25.356 -5.611 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 28 24.640 -7.438 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 28 25.412 -8.560 -2.244 1.00 0.00 H new ATOM 322 N SER A 29 23.427 -7.004 -0.431 1.00 0.00 N ATOM 323 CA SER A 29 22.216 -7.057 0.376 1.00 0.00 C ATOM 324 C SER A 29 21.104 -6.241 -0.270 1.00 0.00 C ATOM 325 O SER A 29 21.363 -5.360 -1.090 1.00 0.00 O ATOM 326 CB SER A 29 22.491 -6.537 1.788 1.00 0.00 C ATOM 327 OG SER A 29 23.690 -7.082 2.310 1.00 0.00 O ATOM 0 H SER A 29 24.137 -6.357 -0.089 1.00 0.00 H new ATOM 0 HA SER A 29 21.895 -8.097 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.560 -5.449 1.771 1.00 0.00 H new ATOM 0 HB3 SER A 29 21.657 -6.793 2.442 1.00 0.00 H new ATOM 0 HG SER A 29 24.426 -6.910 1.686 1.00 0.00 H new ATOM 333 N SER A 30 19.865 -6.541 0.099 1.00 0.00 N ATOM 334 CA SER A 30 18.718 -5.829 -0.448 1.00 0.00 C ATOM 335 C SER A 30 17.738 -5.445 0.652 1.00 0.00 C ATOM 336 O SER A 30 17.450 -6.236 1.550 1.00 0.00 O ATOM 337 CB SER A 30 18.011 -6.684 -1.505 1.00 0.00 C ATOM 338 OG SER A 30 18.121 -8.064 -1.203 1.00 0.00 O ATOM 0 H SER A 30 19.630 -7.270 0.772 1.00 0.00 H new ATOM 0 HA SER A 30 19.083 -4.916 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.959 -6.403 -1.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.445 -6.488 -2.485 1.00 0.00 H new ATOM 0 HG SER A 30 17.660 -8.587 -1.892 1.00 0.00 H new ATOM 344 N ILE A 31 17.246 -4.215 0.583 1.00 0.00 N ATOM 345 CA ILE A 31 16.279 -3.719 1.556 1.00 0.00 C ATOM 346 C ILE A 31 14.871 -3.864 0.998 1.00 0.00 C ATOM 347 O ILE A 31 14.700 -4.165 -0.181 1.00 0.00 O ATOM 348 CB ILE A 31 16.519 -2.235 1.932 1.00 0.00 C ATOM 349 CG1 ILE A 31 17.964 -1.815 1.667 1.00 0.00 C ATOM 350 CG2 ILE A 31 16.189 -2.003 3.392 1.00 0.00 C ATOM 351 CD1 ILE A 31 18.201 -0.330 1.832 1.00 0.00 C ATOM 0 H ILE A 31 17.501 -3.540 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 31 16.402 -4.316 2.460 1.00 0.00 H new ATOM 0 HB ILE A 31 15.864 -1.629 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 31 18.622 -2.357 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 31 18.239 -2.108 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 31 16.362 -0.956 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 31 15.143 -2.251 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 31 16.824 -2.635 4.013 1.00 0.00 H new ATOM 0 HD11 ILE A 31 19.248 -0.104 1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 31 17.569 0.219 1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 31 17.957 -0.034 2.852 1.00 0.00 H new ATOM 363 N THR A 32 13.867 -3.655 1.838 1.00 0.00 N ATOM 364 CA THR A 32 12.484 -3.761 1.391 1.00 0.00 C ATOM 365 C THR A 32 11.662 -2.569 1.861 1.00 0.00 C ATOM 366 O THR A 32 11.377 -2.426 3.050 1.00 0.00 O ATOM 367 CB THR A 32 11.858 -5.064 1.889 1.00 0.00 C ATOM 368 OG1 THR A 32 12.832 -5.878 2.518 1.00 0.00 O ATOM 369 CG2 THR A 32 11.217 -5.879 0.787 1.00 0.00 C ATOM 0 H THR A 32 13.981 -3.414 2.822 1.00 0.00 H new ATOM 0 HA THR A 32 12.484 -3.765 0.301 1.00 0.00 H new ATOM 0 HB THR A 32 11.082 -4.763 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.413 -6.706 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.792 -6.790 1.208 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.427 -5.295 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.969 -6.140 0.043 1.00 0.00 H new ATOM 377 N TYR A 33 11.283 -1.716 0.916 1.00 0.00 N ATOM 378 CA TYR A 33 10.495 -0.532 1.228 1.00 0.00 C ATOM 379 C TYR A 33 9.012 -0.868 1.307 1.00 0.00 C ATOM 380 O TYR A 33 8.496 -1.642 0.502 1.00 0.00 O ATOM 381 CB TYR A 33 10.732 0.551 0.178 1.00 0.00 C ATOM 382 CG TYR A 33 11.950 1.395 0.460 1.00 0.00 C ATOM 383 CD1 TYR A 33 13.227 0.904 0.222 1.00 0.00 C ATOM 384 CD2 TYR A 33 11.822 2.672 0.986 1.00 0.00 C ATOM 385 CE1 TYR A 33 14.345 1.674 0.484 1.00 0.00 C ATOM 386 CE2 TYR A 33 12.933 3.447 1.253 1.00 0.00 C ATOM 387 CZ TYR A 33 14.193 2.944 1.001 1.00 0.00 C ATOM 388 OH TYR A 33 15.303 3.713 1.265 1.00 0.00 O ATOM 0 H TYR A 33 11.509 -1.823 -0.073 1.00 0.00 H new ATOM 0 HA TYR A 33 10.813 -0.160 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 33 10.841 0.082 -0.800 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.855 1.196 0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 33 13.349 -0.094 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 33 10.838 3.066 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 33 15.332 1.283 0.285 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.816 4.442 1.657 1.00 0.00 H new ATOM 0 HH TYR A 33 15.190 4.599 0.862 1.00 0.00 H new ATOM 398 N SER A 34 8.335 -0.286 2.289 1.00 0.00 N ATOM 399 CA SER A 34 6.911 -0.523 2.478 1.00 0.00 C ATOM 400 C SER A 34 6.217 0.737 2.977 1.00 0.00 C ATOM 401 O SER A 34 6.863 1.642 3.502 1.00 0.00 O ATOM 402 CB SER A 34 6.689 -1.668 3.468 1.00 0.00 C ATOM 403 OG SER A 34 7.335 -2.852 3.033 1.00 0.00 O ATOM 0 H SER A 34 8.750 0.354 2.967 1.00 0.00 H new ATOM 0 HA SER A 34 6.481 -0.799 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.068 -1.383 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.621 -1.853 3.581 1.00 0.00 H new ATOM 0 HG SER A 34 7.179 -3.568 3.684 1.00 0.00 H new ATOM 409 N CYS A 35 4.902 0.791 2.808 1.00 0.00 N ATOM 410 CA CYS A 35 4.124 1.943 3.244 1.00 0.00 C ATOM 411 C CYS A 35 3.770 1.831 4.724 1.00 0.00 C ATOM 412 O CYS A 35 3.929 0.772 5.331 1.00 0.00 O ATOM 413 CB CYS A 35 2.849 2.063 2.409 1.00 0.00 C ATOM 414 SG CYS A 35 3.108 2.765 0.748 1.00 0.00 S ATOM 0 H CYS A 35 4.352 0.051 2.372 1.00 0.00 H new ATOM 0 HA CYS A 35 4.730 2.838 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.400 1.075 2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.133 2.685 2.947 1.00 0.00 H new ATOM 419 N ASN A 36 3.293 2.930 5.299 1.00 0.00 N ATOM 420 CA ASN A 36 2.925 2.956 6.710 1.00 0.00 C ATOM 421 C ASN A 36 1.741 2.033 6.987 1.00 0.00 C ATOM 422 O ASN A 36 1.919 0.886 7.397 1.00 0.00 O ATOM 423 CB ASN A 36 2.588 4.385 7.143 1.00 0.00 C ATOM 424 CG ASN A 36 3.699 5.021 7.954 1.00 0.00 C ATOM 425 OD1 ASN A 36 4.493 5.868 7.309 1.00 0.00 O flip ATOM 426 ND2 ASN A 36 3.844 4.754 9.147 1.00 0.00 N flip ATOM 0 H ASN A 36 3.152 3.814 4.810 1.00 0.00 H new ATOM 0 HA ASN A 36 3.778 2.599 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.393 4.993 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.671 4.376 7.732 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.211 4.097 9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.597 5.190 9.679 1.00 0.00 H new ATOM 433 N SER A 37 0.532 2.542 6.769 1.00 0.00 N ATOM 434 CA SER A 37 -0.680 1.764 6.994 1.00 0.00 C ATOM 435 C SER A 37 -1.810 2.256 6.098 1.00 0.00 C ATOM 436 O SER A 37 -2.001 3.460 5.929 1.00 0.00 O ATOM 437 CB SER A 37 -1.103 1.849 8.462 1.00 0.00 C ATOM 438 OG SER A 37 -2.467 1.497 8.621 1.00 0.00 O ATOM 0 H SER A 37 0.366 3.492 6.436 1.00 0.00 H new ATOM 0 HA SER A 37 -0.467 0.724 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.481 1.185 9.062 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.940 2.861 8.833 1.00 0.00 H new ATOM 0 HG SER A 37 -2.712 1.558 9.568 1.00 0.00 H new ATOM 444 N GLY A 38 -2.553 1.318 5.524 1.00 0.00 N ATOM 445 CA GLY A 38 -3.641 1.679 4.634 1.00 0.00 C ATOM 446 C GLY A 38 -3.156 2.491 3.452 1.00 0.00 C ATOM 447 O GLY A 38 -3.906 3.276 2.874 1.00 0.00 O ATOM 0 H GLY A 38 -2.422 0.315 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.133 0.775 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.387 2.251 5.186 1.00 0.00 H new ATOM 451 N TYR A 39 -1.888 2.304 3.104 1.00 0.00 N ATOM 452 CA TYR A 39 -1.278 3.029 1.998 1.00 0.00 C ATOM 453 C TYR A 39 -0.872 2.075 0.880 1.00 0.00 C ATOM 454 O TYR A 39 -0.934 0.856 1.040 1.00 0.00 O ATOM 455 CB TYR A 39 -0.047 3.788 2.497 1.00 0.00 C ATOM 456 CG TYR A 39 -0.329 5.211 2.920 1.00 0.00 C ATOM 457 CD1 TYR A 39 -1.487 5.533 3.614 1.00 0.00 C ATOM 458 CD2 TYR A 39 0.575 6.229 2.642 1.00 0.00 C ATOM 459 CE1 TYR A 39 -1.743 6.832 4.011 1.00 0.00 C ATOM 460 CE2 TYR A 39 0.325 7.531 3.033 1.00 0.00 C ATOM 461 CZ TYR A 39 -0.835 7.827 3.716 1.00 0.00 C ATOM 462 OH TYR A 39 -1.086 9.122 4.108 1.00 0.00 O ATOM 0 H TYR A 39 -1.260 1.653 3.575 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.010 3.733 1.602 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.382 3.248 3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.705 3.797 1.708 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -2.200 4.756 3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.488 5.999 2.112 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -2.649 7.066 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.035 8.312 2.805 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.347 9.699 3.823 1.00 0.00 H new ATOM 472 N HIS A 40 -0.442 2.634 -0.247 1.00 0.00 N ATOM 473 CA HIS A 40 0.008 1.826 -1.372 1.00 0.00 C ATOM 474 C HIS A 40 1.336 2.343 -1.908 1.00 0.00 C ATOM 475 O HIS A 40 1.461 3.511 -2.274 1.00 0.00 O ATOM 476 CB HIS A 40 -1.043 1.805 -2.486 1.00 0.00 C ATOM 477 CG HIS A 40 -1.147 3.086 -3.255 1.00 0.00 C ATOM 478 ND1 HIS A 40 -1.156 3.136 -4.634 1.00 0.00 N ATOM 479 CD2 HIS A 40 -1.260 4.368 -2.834 1.00 0.00 C ATOM 480 CE1 HIS A 40 -1.265 4.393 -5.026 1.00 0.00 C ATOM 481 NE2 HIS A 40 -1.328 5.159 -3.954 1.00 0.00 N ATOM 0 H HIS A 40 -0.396 3.641 -0.404 1.00 0.00 H new ATOM 0 HA HIS A 40 0.150 0.806 -1.016 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -0.807 0.997 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.015 1.576 -2.049 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -1.089 2.329 -5.254 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -1.291 4.705 -1.808 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.297 4.735 -6.050 1.00 0.00 H new ATOM 490 N LEU A 41 2.331 1.466 -1.926 1.00 0.00 N ATOM 491 CA LEU A 41 3.659 1.823 -2.399 1.00 0.00 C ATOM 492 C LEU A 41 3.747 1.690 -3.913 1.00 0.00 C ATOM 493 O LEU A 41 3.411 0.647 -4.474 1.00 0.00 O ATOM 494 CB LEU A 41 4.706 0.929 -1.736 1.00 0.00 C ATOM 495 CG LEU A 41 6.155 1.249 -2.101 1.00 0.00 C ATOM 496 CD1 LEU A 41 7.093 0.802 -0.991 1.00 0.00 C ATOM 497 CD2 LEU A 41 6.530 0.588 -3.417 1.00 0.00 C ATOM 0 H LEU A 41 2.241 0.498 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 41 3.852 2.862 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.594 1.006 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.500 -0.107 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 41 6.252 2.328 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.121 1.037 -1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.837 1.321 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.994 -0.273 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.565 0.826 -3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.418 -0.492 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.876 0.955 -4.208 1.00 0.00 H new ATOM 509 N ILE A 42 4.198 2.750 -4.572 1.00 0.00 N ATOM 510 CA ILE A 42 4.320 2.741 -6.024 1.00 0.00 C ATOM 511 C ILE A 42 5.781 2.692 -6.449 1.00 0.00 C ATOM 512 O ILE A 42 6.668 3.150 -5.729 1.00 0.00 O ATOM 513 CB ILE A 42 3.645 3.965 -6.679 1.00 0.00 C ATOM 514 CG1 ILE A 42 2.474 4.469 -5.828 1.00 0.00 C ATOM 515 CG2 ILE A 42 3.164 3.607 -8.075 1.00 0.00 C ATOM 516 CD1 ILE A 42 1.491 3.382 -5.453 1.00 0.00 C ATOM 0 H ILE A 42 4.484 3.622 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 42 3.806 1.843 -6.367 1.00 0.00 H new ATOM 0 HB ILE A 42 4.381 4.766 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.865 4.924 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.948 5.251 -6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.689 4.476 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.013 3.297 -8.684 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.444 2.791 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.688 3.809 -4.851 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.072 2.943 -6.358 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.004 2.610 -4.879 1.00 0.00 H new ATOM 528 N GLY A 43 6.020 2.124 -7.623 1.00 0.00 N ATOM 529 CA GLY A 43 7.376 2.009 -8.133 1.00 0.00 C ATOM 530 C GLY A 43 8.109 0.814 -7.555 1.00 0.00 C ATOM 531 O GLY A 43 7.540 -0.272 -7.442 1.00 0.00 O ATOM 0 H GLY A 43 5.299 1.740 -8.234 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.347 1.924 -9.219 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.928 2.919 -7.899 1.00 0.00 H new ATOM 535 N GLU A 44 9.372 1.009 -7.187 1.00 0.00 N ATOM 536 CA GLU A 44 10.167 -0.066 -6.609 1.00 0.00 C ATOM 537 C GLU A 44 9.777 -0.301 -5.157 1.00 0.00 C ATOM 538 O GLU A 44 8.941 0.410 -4.606 1.00 0.00 O ATOM 539 CB GLU A 44 11.658 0.265 -6.693 1.00 0.00 C ATOM 540 CG GLU A 44 11.982 1.697 -6.305 1.00 0.00 C ATOM 541 CD GLU A 44 12.397 2.543 -7.492 1.00 0.00 C ATOM 542 OE1 GLU A 44 13.251 3.437 -7.313 1.00 0.00 O ATOM 543 OE2 GLU A 44 11.873 2.308 -8.601 1.00 0.00 O ATOM 0 H GLU A 44 9.864 1.898 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 44 9.971 -0.974 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.210 -0.413 -6.043 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.006 0.085 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.110 2.147 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.783 1.697 -5.566 1.00 0.00 H new ATOM 550 N SER A 45 10.409 -1.287 -4.537 1.00 0.00 N ATOM 551 CA SER A 45 10.121 -1.629 -3.160 1.00 0.00 C ATOM 552 C SER A 45 11.297 -2.343 -2.504 1.00 0.00 C ATOM 553 O SER A 45 11.129 -3.025 -1.494 1.00 0.00 O ATOM 554 CB SER A 45 8.902 -2.533 -3.115 1.00 0.00 C ATOM 555 OG SER A 45 8.957 -3.514 -4.136 1.00 0.00 O ATOM 0 H SER A 45 11.128 -1.865 -4.973 1.00 0.00 H new ATOM 0 HA SER A 45 9.934 -0.706 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.842 -3.020 -2.142 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.998 -1.935 -3.229 1.00 0.00 H new ATOM 0 HG SER A 45 8.162 -4.084 -4.085 1.00 0.00 H new ATOM 561 N LYS A 46 12.482 -2.203 -3.088 1.00 0.00 N ATOM 562 CA LYS A 46 13.662 -2.877 -2.570 1.00 0.00 C ATOM 563 C LYS A 46 14.951 -2.211 -3.044 1.00 0.00 C ATOM 564 O LYS A 46 15.215 -2.136 -4.244 1.00 0.00 O ATOM 565 CB LYS A 46 13.654 -4.337 -3.020 1.00 0.00 C ATOM 566 CG LYS A 46 13.081 -5.301 -1.997 1.00 0.00 C ATOM 567 CD LYS A 46 12.285 -6.411 -2.662 1.00 0.00 C ATOM 568 CE LYS A 46 13.175 -7.301 -3.515 1.00 0.00 C ATOM 569 NZ LYS A 46 12.388 -8.309 -4.278 1.00 0.00 N ATOM 0 H LYS A 46 12.649 -1.631 -3.916 1.00 0.00 H new ATOM 0 HA LYS A 46 13.630 -2.814 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.078 -4.418 -3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.675 -4.639 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.891 -5.734 -1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.440 -4.758 -1.303 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.791 -7.013 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.501 -5.977 -3.283 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.745 -6.684 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.896 -7.811 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.033 -8.895 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.864 -8.915 -3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.717 -7.822 -4.907 1.00 0.00 H new ATOM 583 N SER A 47 15.767 -1.769 -2.090 1.00 0.00 N ATOM 584 CA SER A 47 17.062 -1.168 -2.396 1.00 0.00 C ATOM 585 C SER A 47 18.117 -2.252 -2.467 1.00 0.00 C ATOM 586 O SER A 47 18.186 -3.099 -1.581 1.00 0.00 O ATOM 587 CB SER A 47 17.448 -0.156 -1.318 1.00 0.00 C ATOM 588 OG SER A 47 18.184 0.924 -1.858 1.00 0.00 O ATOM 0 H SER A 47 15.552 -1.816 -1.094 1.00 0.00 H new ATOM 0 HA SER A 47 16.993 -0.654 -3.355 1.00 0.00 H new ATOM 0 HB2 SER A 47 16.548 0.222 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 47 18.039 -0.651 -0.548 1.00 0.00 H new ATOM 0 HG SER A 47 18.568 0.660 -2.720 1.00 0.00 H new ATOM 594 N TYR A 48 18.927 -2.257 -3.520 1.00 0.00 N ATOM 595 CA TYR A 48 19.960 -3.294 -3.625 1.00 0.00 C ATOM 596 C TYR A 48 21.345 -2.730 -3.364 1.00 0.00 C ATOM 597 O TYR A 48 21.845 -1.891 -4.113 1.00 0.00 O ATOM 598 CB TYR A 48 19.925 -4.017 -4.975 1.00 0.00 C ATOM 599 CG TYR A 48 18.542 -4.128 -5.559 1.00 0.00 C ATOM 600 CD1 TYR A 48 17.531 -4.756 -4.850 1.00 0.00 C ATOM 601 CD2 TYR A 48 18.246 -3.612 -6.813 1.00 0.00 C ATOM 602 CE1 TYR A 48 16.258 -4.867 -5.372 1.00 0.00 C ATOM 603 CE2 TYR A 48 16.978 -3.716 -7.344 1.00 0.00 C ATOM 604 CZ TYR A 48 15.985 -4.344 -6.620 1.00 0.00 C ATOM 605 OH TYR A 48 14.718 -4.452 -7.145 1.00 0.00 O ATOM 0 H TYR A 48 18.898 -1.586 -4.288 1.00 0.00 H new ATOM 0 HA TYR A 48 19.735 -4.029 -2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 48 20.567 -3.487 -5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.341 -5.017 -4.854 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.742 -5.165 -3.873 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.022 -3.121 -7.382 1.00 0.00 H new ATOM 0 HE1 TYR A 48 15.480 -5.360 -4.808 1.00 0.00 H new ATOM 0 HE2 TYR A 48 16.763 -3.308 -8.321 1.00 0.00 H new ATOM 0 HH TYR A 48 14.694 -4.032 -8.030 1.00 0.00 H new ATOM 615 N CYS A 49 21.958 -3.208 -2.288 1.00 0.00 N ATOM 616 CA CYS A 49 23.300 -2.783 -1.923 1.00 0.00 C ATOM 617 C CYS A 49 24.304 -3.304 -2.932 1.00 0.00 C ATOM 618 O CYS A 49 24.949 -4.329 -2.717 1.00 0.00 O ATOM 619 CB CYS A 49 23.658 -3.275 -0.524 1.00 0.00 C ATOM 620 SG CYS A 49 25.398 -3.000 -0.057 1.00 0.00 S ATOM 0 H CYS A 49 21.545 -3.891 -1.653 1.00 0.00 H new ATOM 0 HA CYS A 49 23.329 -1.693 -1.923 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.016 -2.774 0.200 1.00 0.00 H new ATOM 0 HB3 CYS A 49 23.440 -4.341 -0.459 1.00 0.00 H new ATOM 625 N GLU A 50 24.407 -2.607 -4.048 1.00 0.00 N ATOM 626 CA GLU A 50 25.321 -3.008 -5.109 1.00 0.00 C ATOM 627 C GLU A 50 26.633 -2.230 -5.012 1.00 0.00 C ATOM 628 O GLU A 50 26.926 -1.616 -3.987 1.00 0.00 O ATOM 629 CB GLU A 50 24.640 -2.853 -6.489 1.00 0.00 C ATOM 630 CG GLU A 50 25.023 -1.613 -7.295 1.00 0.00 C ATOM 631 CD GLU A 50 23.823 -0.935 -7.926 1.00 0.00 C ATOM 632 OE1 GLU A 50 23.371 -1.400 -8.994 1.00 0.00 O ATOM 633 OE2 GLU A 50 23.336 0.063 -7.355 1.00 0.00 O ATOM 0 H GLU A 50 23.872 -1.762 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 50 25.571 -4.062 -4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 50 24.872 -3.735 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 50 23.560 -2.844 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 50 25.535 -0.905 -6.644 1.00 0.00 H new ATOM 0 HG3 GLU A 50 25.729 -1.896 -8.076 1.00 0.00 H new ATOM 640 N LEU A 51 27.416 -2.263 -6.081 1.00 0.00 N ATOM 641 CA LEU A 51 28.692 -1.568 -6.107 1.00 0.00 C ATOM 642 C LEU A 51 28.611 -0.313 -6.969 1.00 0.00 C ATOM 643 O LEU A 51 27.868 -0.267 -7.949 1.00 0.00 O ATOM 644 CB LEU A 51 29.783 -2.497 -6.633 1.00 0.00 C ATOM 645 CG LEU A 51 29.680 -2.822 -8.122 1.00 0.00 C ATOM 646 CD1 LEU A 51 29.103 -4.212 -8.330 1.00 0.00 C ATOM 647 CD2 LEU A 51 31.042 -2.699 -8.787 1.00 0.00 C ATOM 0 H LEU A 51 27.189 -2.764 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 51 28.939 -1.267 -5.089 1.00 0.00 H new ATOM 0 HB2 LEU A 51 30.754 -2.041 -6.441 1.00 0.00 H new ATOM 0 HB3 LEU A 51 29.751 -3.429 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 51 29.005 -2.103 -8.586 1.00 0.00 H new ATOM 0 HD11 LEU A 51 29.038 -4.423 -9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 51 29.749 -4.949 -7.853 1.00 0.00 H new ATOM 0 HD13 LEU A 51 28.107 -4.262 -7.889 1.00 0.00 H new ATOM 0 HD21 LEU A 51 30.952 -2.934 -9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 51 31.413 -1.681 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 51 31.739 -3.394 -8.320 1.00 0.00 H new ATOM 709 N MET A 57 30.577 0.728 -2.823 1.00 0.00 N ATOM 710 CA MET A 57 29.259 0.196 -2.516 1.00 0.00 C ATOM 711 C MET A 57 28.203 1.286 -2.646 1.00 0.00 C ATOM 712 O MET A 57 28.473 2.461 -2.399 1.00 0.00 O ATOM 713 CB MET A 57 29.227 -0.388 -1.097 1.00 0.00 C ATOM 714 CG MET A 57 30.601 -0.700 -0.521 1.00 0.00 C ATOM 715 SD MET A 57 31.393 0.742 0.216 1.00 0.00 S ATOM 716 CE MET A 57 33.038 0.103 0.524 1.00 0.00 C ATOM 0 HA MET A 57 29.041 -0.599 -3.229 1.00 0.00 H new ATOM 0 HB2 MET A 57 28.720 0.316 -0.437 1.00 0.00 H new ATOM 0 HB3 MET A 57 28.633 -1.302 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 57 30.505 -1.481 0.233 1.00 0.00 H new ATOM 0 HG3 MET A 57 31.240 -1.096 -1.311 1.00 0.00 H new ATOM 0 HE1 MET A 57 33.651 0.880 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 57 32.976 -0.752 1.197 1.00 0.00 H new ATOM 0 HE3 MET A 57 33.490 -0.209 -0.418 1.00 0.00 H new ATOM 726 N VAL A 58 27.003 0.887 -3.038 1.00 0.00 N ATOM 727 CA VAL A 58 25.899 1.823 -3.202 1.00 0.00 C ATOM 728 C VAL A 58 24.565 1.113 -3.016 1.00 0.00 C ATOM 729 O VAL A 58 24.528 -0.083 -2.725 1.00 0.00 O ATOM 730 CB VAL A 58 25.928 2.497 -4.584 1.00 0.00 C ATOM 731 CG1 VAL A 58 26.888 3.678 -4.584 1.00 0.00 C ATOM 732 CG2 VAL A 58 26.312 1.488 -5.650 1.00 0.00 C ATOM 0 H VAL A 58 26.767 -0.083 -3.250 1.00 0.00 H new ATOM 0 HA VAL A 58 26.013 2.593 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 58 24.931 2.874 -4.810 1.00 0.00 H new ATOM 0 HG11 VAL A 58 26.895 4.142 -5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 58 26.566 4.409 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 58 27.892 3.331 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 58 26.329 1.977 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 58 27.300 1.084 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 58 25.583 0.678 -5.663 1.00 0.00 H new ATOM 742 N TRP A 59 23.472 1.845 -3.186 1.00 0.00 N ATOM 743 CA TRP A 59 22.147 1.273 -2.994 1.00 0.00 C ATOM 744 C TRP A 59 21.260 1.461 -4.219 1.00 0.00 C ATOM 745 O TRP A 59 20.979 2.585 -4.634 1.00 0.00 O ATOM 746 CB TRP A 59 21.477 1.907 -1.775 1.00 0.00 C ATOM 747 CG TRP A 59 22.008 1.394 -0.472 1.00 0.00 C ATOM 748 CD1 TRP A 59 22.918 2.007 0.341 1.00 0.00 C ATOM 749 CD2 TRP A 59 21.657 0.165 0.173 1.00 0.00 C ATOM 750 NE1 TRP A 59 23.151 1.236 1.454 1.00 0.00 N ATOM 751 CE2 TRP A 59 22.392 0.098 1.371 1.00 0.00 C ATOM 752 CE3 TRP A 59 20.792 -0.886 -0.147 1.00 0.00 C ATOM 753 CZ2 TRP A 59 22.287 -0.979 2.248 1.00 0.00 C ATOM 754 CZ3 TRP A 59 20.698 -1.956 0.722 1.00 0.00 C ATOM 755 CH2 TRP A 59 21.433 -1.991 1.906 1.00 0.00 C ATOM 0 H TRP A 59 23.476 2.829 -3.455 1.00 0.00 H new ATOM 0 HA TRP A 59 22.274 0.202 -2.835 1.00 0.00 H new ATOM 0 HB2 TRP A 59 21.614 2.988 -1.815 1.00 0.00 H new ATOM 0 HB3 TRP A 59 20.404 1.720 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 59 23.386 2.959 0.139 1.00 0.00 H new ATOM 0 HE1 TRP A 59 23.785 1.472 2.217 1.00 0.00 H new ATOM 0 HE3 TRP A 59 20.209 -0.862 -1.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 22.859 -1.014 3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 20.043 -2.780 0.480 1.00 0.00 H new ATOM 0 HH2 TRP A 59 21.326 -2.837 2.569 1.00 0.00 H new ATOM 766 N ASN A 60 20.793 0.346 -4.771 1.00 0.00 N ATOM 767 CA ASN A 60 19.882 0.373 -5.908 1.00 0.00 C ATOM 768 C ASN A 60 18.505 0.835 -5.444 1.00 0.00 C ATOM 769 O ASN A 60 18.269 0.899 -4.243 1.00 0.00 O ATOM 770 CB ASN A 60 19.799 -1.015 -6.529 1.00 0.00 C ATOM 771 CG ASN A 60 20.816 -1.231 -7.635 1.00 0.00 C ATOM 772 OD1 ASN A 60 21.503 -2.252 -7.666 1.00 0.00 O ATOM 773 ND2 ASN A 60 20.921 -0.274 -8.552 1.00 0.00 N ATOM 0 H ASN A 60 21.032 -0.591 -4.447 1.00 0.00 H new ATOM 0 HA ASN A 60 20.251 1.070 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.950 -1.764 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.797 -1.169 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 60 21.589 -0.371 -9.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.333 0.557 -8.491 1.00 0.00 H new ATOM 780 N PRO A 61 17.596 1.181 -6.388 1.00 0.00 N ATOM 781 CA PRO A 61 16.244 1.672 -6.116 1.00 0.00 C ATOM 782 C PRO A 61 15.739 1.380 -4.707 1.00 0.00 C ATOM 783 O PRO A 61 15.356 0.258 -4.392 1.00 0.00 O ATOM 784 CB PRO A 61 15.437 0.917 -7.167 1.00 0.00 C ATOM 785 CG PRO A 61 16.392 0.693 -8.311 1.00 0.00 C ATOM 786 CD PRO A 61 17.780 1.071 -7.832 1.00 0.00 C ATOM 0 HA PRO A 61 16.177 2.759 -6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 61 15.065 -0.029 -6.773 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.568 1.493 -7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 61 16.368 -0.349 -8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 61 16.106 1.298 -9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.519 0.313 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 61 18.119 2.009 -8.271 1.00 0.00 H new ATOM 794 N GLU A 62 15.732 2.413 -3.868 1.00 0.00 N ATOM 795 CA GLU A 62 15.331 2.269 -2.471 1.00 0.00 C ATOM 796 C GLU A 62 13.959 2.881 -2.199 1.00 0.00 C ATOM 797 O GLU A 62 12.964 2.165 -2.116 1.00 0.00 O ATOM 798 CB GLU A 62 16.371 2.905 -1.525 1.00 0.00 C ATOM 799 CG GLU A 62 17.593 3.497 -2.219 1.00 0.00 C ATOM 800 CD GLU A 62 17.325 4.866 -2.810 1.00 0.00 C ATOM 801 OE1 GLU A 62 17.799 5.130 -3.935 1.00 0.00 O ATOM 802 OE2 GLU A 62 16.642 5.676 -2.148 1.00 0.00 O ATOM 0 H GLU A 62 16.000 3.361 -4.132 1.00 0.00 H new ATOM 0 HA GLU A 62 15.272 1.198 -2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.883 3.690 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.705 2.149 -0.815 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.412 3.569 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.919 2.822 -3.010 1.00 0.00 H new ATOM 809 N ALA A 63 13.924 4.200 -2.009 1.00 0.00 N ATOM 810 CA ALA A 63 12.693 4.904 -1.650 1.00 0.00 C ATOM 811 C ALA A 63 11.745 5.080 -2.834 1.00 0.00 C ATOM 812 O ALA A 63 11.964 5.940 -3.687 1.00 0.00 O ATOM 813 CB ALA A 63 13.031 6.263 -1.055 1.00 0.00 C ATOM 0 H ALA A 63 14.740 4.806 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 63 12.176 4.288 -0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.111 6.783 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.642 6.128 -0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.583 6.853 -1.786 1.00 0.00 H new ATOM 819 N PRO A 64 10.628 4.328 -2.858 1.00 0.00 N ATOM 820 CA PRO A 64 9.616 4.425 -3.903 1.00 0.00 C ATOM 821 C PRO A 64 8.527 5.428 -3.527 1.00 0.00 C ATOM 822 O PRO A 64 8.756 6.320 -2.710 1.00 0.00 O ATOM 823 CB PRO A 64 9.042 2.996 -3.959 1.00 0.00 C ATOM 824 CG PRO A 64 9.670 2.252 -2.815 1.00 0.00 C ATOM 825 CD PRO A 64 10.251 3.290 -1.901 1.00 0.00 C ATOM 0 HA PRO A 64 10.018 4.772 -4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.956 3.008 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.276 2.518 -4.910 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.930 1.646 -2.293 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.444 1.572 -3.172 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.526 3.647 -1.170 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.108 2.914 -1.342 1.00 0.00 H new ATOM 833 N ILE A 65 7.335 5.266 -4.095 1.00 0.00 N ATOM 834 CA ILE A 65 6.219 6.152 -3.782 1.00 0.00 C ATOM 835 C ILE A 65 5.326 5.532 -2.714 1.00 0.00 C ATOM 836 O ILE A 65 5.457 4.352 -2.388 1.00 0.00 O ATOM 837 CB ILE A 65 5.362 6.468 -5.021 1.00 0.00 C ATOM 838 CG1 ILE A 65 6.226 6.511 -6.284 1.00 0.00 C ATOM 839 CG2 ILE A 65 4.628 7.785 -4.832 1.00 0.00 C ATOM 840 CD1 ILE A 65 7.107 7.738 -6.376 1.00 0.00 C ATOM 0 H ILE A 65 7.118 4.533 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 65 6.653 7.082 -3.416 1.00 0.00 H new ATOM 0 HB ILE A 65 4.626 5.673 -5.141 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.854 5.621 -6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.577 6.474 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.026 7.996 -5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.979 7.718 -3.959 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.352 8.587 -4.686 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.690 7.699 -7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.485 8.633 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 65 7.782 7.767 -5.520 1.00 0.00 H new ATOM 852 N CYS A 66 4.411 6.331 -2.178 1.00 0.00 N ATOM 853 CA CYS A 66 3.499 5.860 -1.146 1.00 0.00 C ATOM 854 C CYS A 66 2.361 6.851 -0.921 1.00 0.00 C ATOM 855 O CYS A 66 2.582 8.060 -0.854 1.00 0.00 O ATOM 856 CB CYS A 66 4.257 5.639 0.161 1.00 0.00 C ATOM 857 SG CYS A 66 4.705 3.902 0.481 1.00 0.00 S ATOM 0 H CYS A 66 4.282 7.308 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 66 3.069 4.916 -1.481 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.166 6.240 0.147 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.647 6.003 0.988 1.00 0.00 H new ATOM 862 N GLU A 67 1.144 6.330 -0.795 1.00 0.00 N ATOM 863 CA GLU A 67 -0.028 7.168 -0.570 1.00 0.00 C ATOM 864 C GLU A 67 -1.145 6.375 0.101 1.00 0.00 C ATOM 865 O GLU A 67 -1.025 5.168 0.303 1.00 0.00 O ATOM 866 CB GLU A 67 -0.525 7.750 -1.894 1.00 0.00 C ATOM 867 CG GLU A 67 -0.731 9.255 -1.857 1.00 0.00 C ATOM 868 CD GLU A 67 0.548 10.025 -2.123 1.00 0.00 C ATOM 869 OE1 GLU A 67 0.877 10.926 -1.323 1.00 0.00 O ATOM 870 OE2 GLU A 67 1.221 9.727 -3.133 1.00 0.00 O ATOM 0 H GLU A 67 0.944 5.331 -0.845 1.00 0.00 H new ATOM 0 HA GLU A 67 0.262 7.984 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.192 7.509 -2.679 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.466 7.269 -2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.480 9.534 -2.599 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.126 9.540 -0.882 1.00 0.00 H new ATOM 877 N SER A 68 -2.232 7.061 0.444 1.00 0.00 N ATOM 878 CA SER A 68 -3.370 6.418 1.092 1.00 0.00 C ATOM 879 C SER A 68 -4.415 5.991 0.069 1.00 0.00 C ATOM 880 O SER A 68 -5.117 6.824 -0.504 1.00 0.00 O ATOM 881 CB SER A 68 -4.003 7.360 2.119 1.00 0.00 C ATOM 882 OG SER A 68 -5.026 8.145 1.531 1.00 0.00 O ATOM 0 H SER A 68 -2.348 8.062 0.284 1.00 0.00 H new ATOM 0 HA SER A 68 -3.003 5.527 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.415 6.779 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.237 8.012 2.540 1.00 0.00 H new ATOM 0 HG SER A 68 -4.856 8.237 0.570 1.00 0.00 H new ATOM 888 N VAL A 69 -4.522 4.684 -0.139 1.00 0.00 N ATOM 889 CA VAL A 69 -5.484 4.133 -1.083 1.00 0.00 C ATOM 890 C VAL A 69 -6.872 4.728 -0.869 1.00 0.00 C ATOM 891 O VAL A 69 -7.627 4.275 -0.009 1.00 0.00 O ATOM 892 CB VAL A 69 -5.577 2.605 -0.956 1.00 0.00 C ATOM 893 CG1 VAL A 69 -5.769 2.207 0.496 1.00 0.00 C ATOM 894 CG2 VAL A 69 -4.343 1.940 -1.541 1.00 0.00 C ATOM 0 H VAL A 69 -3.952 3.984 0.336 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.129 4.392 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.443 2.263 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.833 1.121 0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.923 2.562 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.688 2.652 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.430 0.858 -1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.255 2.200 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.457 2.284 -1.007 1.00 0.00 H new ATOM 904 N LYS A 70 -7.204 5.741 -1.660 1.00 0.00 N ATOM 905 CA LYS A 70 -8.501 6.403 -1.554 1.00 0.00 C ATOM 906 C LYS A 70 -9.592 5.602 -2.262 1.00 0.00 C ATOM 907 O LYS A 70 -9.512 5.356 -3.465 1.00 0.00 O ATOM 908 CB LYS A 70 -8.425 7.810 -2.151 1.00 0.00 C ATOM 909 CG LYS A 70 -8.273 8.907 -1.111 1.00 0.00 C ATOM 910 CD LYS A 70 -9.595 9.609 -0.847 1.00 0.00 C ATOM 911 CE LYS A 70 -9.611 10.272 0.521 1.00 0.00 C ATOM 912 NZ LYS A 70 -9.510 11.754 0.421 1.00 0.00 N ATOM 0 H LYS A 70 -6.594 6.123 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.756 6.470 -0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.583 7.857 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.327 7.997 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.894 8.480 -0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.535 9.634 -1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.770 10.359 -1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.410 8.888 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.530 10.005 1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.783 9.891 1.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.524 12.168 1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.621 12.010 -0.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.314 12.121 -0.128 1.00 0.00 H new ATOM 926 N CYS A 71 -10.618 5.211 -1.510 1.00 0.00 N ATOM 927 CA CYS A 71 -11.739 4.461 -2.072 1.00 0.00 C ATOM 928 C CYS A 71 -12.941 5.371 -2.258 1.00 0.00 C ATOM 929 O CYS A 71 -13.495 5.887 -1.289 1.00 0.00 O ATOM 930 CB CYS A 71 -12.142 3.272 -1.181 1.00 0.00 C ATOM 931 SG CYS A 71 -11.124 3.020 0.315 1.00 0.00 S ATOM 0 H CYS A 71 -10.697 5.401 -0.511 1.00 0.00 H new ATOM 0 HA CYS A 71 -11.411 4.071 -3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -13.179 3.408 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -12.104 2.363 -1.781 1.00 0.00 H new ATOM 936 N GLN A 72 -13.355 5.549 -3.501 1.00 0.00 N ATOM 937 CA GLN A 72 -14.501 6.390 -3.799 1.00 0.00 C ATOM 938 C GLN A 72 -15.793 5.723 -3.333 1.00 0.00 C ATOM 939 O GLN A 72 -15.773 4.862 -2.453 1.00 0.00 O ATOM 940 CB GLN A 72 -14.552 6.696 -5.298 1.00 0.00 C ATOM 941 CG GLN A 72 -15.075 5.547 -6.143 1.00 0.00 C ATOM 942 CD GLN A 72 -14.113 5.145 -7.243 1.00 0.00 C ATOM 943 OE1 GLN A 72 -14.284 5.523 -8.402 1.00 0.00 O ATOM 944 NE2 GLN A 72 -13.092 4.375 -6.884 1.00 0.00 N ATOM 0 H GLN A 72 -12.916 5.124 -4.318 1.00 0.00 H new ATOM 0 HA GLN A 72 -14.397 7.331 -3.258 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -15.184 7.570 -5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -13.551 6.959 -5.640 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -15.266 4.687 -5.501 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -16.029 5.832 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.989 4.085 -5.911 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.411 4.074 -7.581 1.00 0.00 H new ATOM 953 N SER A 73 -16.915 6.124 -3.921 1.00 0.00 N ATOM 954 CA SER A 73 -18.213 5.570 -3.557 1.00 0.00 C ATOM 955 C SER A 73 -18.165 4.042 -3.497 1.00 0.00 C ATOM 956 O SER A 73 -17.547 3.401 -4.346 1.00 0.00 O ATOM 957 CB SER A 73 -19.269 6.021 -4.569 1.00 0.00 C ATOM 958 OG SER A 73 -20.328 5.086 -4.660 1.00 0.00 O ATOM 0 H SER A 73 -16.951 6.833 -4.654 1.00 0.00 H new ATOM 0 HA SER A 73 -18.477 5.938 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.664 6.994 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 73 -18.807 6.146 -5.548 1.00 0.00 H new ATOM 0 HG SER A 73 -21.125 5.450 -4.221 1.00 0.00 H new ATOM 964 N PRO A 74 -18.820 3.436 -2.488 1.00 0.00 N ATOM 965 CA PRO A 74 -18.846 1.978 -2.334 1.00 0.00 C ATOM 966 C PRO A 74 -19.434 1.288 -3.563 1.00 0.00 C ATOM 967 O PRO A 74 -20.107 1.921 -4.376 1.00 0.00 O ATOM 968 CB PRO A 74 -19.730 1.748 -1.099 1.00 0.00 C ATOM 969 CG PRO A 74 -19.747 3.055 -0.382 1.00 0.00 C ATOM 970 CD PRO A 74 -19.586 4.118 -1.433 1.00 0.00 C ATOM 0 HA PRO A 74 -17.845 1.561 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -20.736 1.443 -1.386 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -19.326 0.957 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -20.681 3.187 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -18.941 3.107 0.350 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -20.550 4.471 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -19.054 4.988 -1.048 1.00 0.00 H new ATOM 978 N PRO A 75 -19.165 -0.018 -3.729 1.00 0.00 N ATOM 979 CA PRO A 75 -19.652 -0.783 -4.877 1.00 0.00 C ATOM 980 C PRO A 75 -21.111 -0.494 -5.202 1.00 0.00 C ATOM 981 O PRO A 75 -21.874 -0.043 -4.347 1.00 0.00 O ATOM 982 CB PRO A 75 -19.482 -2.230 -4.423 1.00 0.00 C ATOM 983 CG PRO A 75 -18.316 -2.194 -3.496 1.00 0.00 C ATOM 984 CD PRO A 75 -18.360 -0.850 -2.813 1.00 0.00 C ATOM 0 HA PRO A 75 -19.111 -0.535 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -20.377 -2.597 -3.921 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.297 -2.892 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -18.373 -3.003 -2.767 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.381 -2.322 -4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -18.818 -0.917 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.360 -0.439 -2.673 1.00 0.00 H new ATOM 992 N SER A 76 -21.490 -0.757 -6.447 1.00 0.00 N ATOM 993 CA SER A 76 -22.859 -0.540 -6.894 1.00 0.00 C ATOM 994 C SER A 76 -23.580 -1.869 -7.080 1.00 0.00 C ATOM 995 O SER A 76 -23.561 -2.451 -8.165 1.00 0.00 O ATOM 996 CB SER A 76 -22.870 0.248 -8.204 1.00 0.00 C ATOM 997 OG SER A 76 -22.207 -0.463 -9.235 1.00 0.00 O ATOM 0 H SER A 76 -20.866 -1.122 -7.166 1.00 0.00 H new ATOM 0 HA SER A 76 -23.382 0.035 -6.130 1.00 0.00 H new ATOM 0 HB2 SER A 76 -23.899 0.450 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 76 -22.386 1.213 -8.055 1.00 0.00 H new ATOM 0 HG SER A 76 -22.536 -1.386 -9.260 1.00 0.00 H new ATOM 1003 N ILE A 77 -24.209 -2.348 -6.014 1.00 0.00 N ATOM 1004 CA ILE A 77 -24.924 -3.618 -6.057 1.00 0.00 C ATOM 1005 C ILE A 77 -26.175 -3.516 -6.920 1.00 0.00 C ATOM 1006 O ILE A 77 -26.511 -2.444 -7.423 1.00 0.00 O ATOM 1007 CB ILE A 77 -25.324 -4.088 -4.646 1.00 0.00 C ATOM 1008 CG1 ILE A 77 -26.309 -3.103 -4.011 1.00 0.00 C ATOM 1009 CG2 ILE A 77 -24.090 -4.248 -3.772 1.00 0.00 C ATOM 1010 CD1 ILE A 77 -27.153 -3.715 -2.913 1.00 0.00 C ATOM 0 H ILE A 77 -24.239 -1.877 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 77 -24.243 -4.348 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 77 -25.816 -5.057 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -25.754 -2.258 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -26.966 -2.708 -4.786 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -24.389 -4.581 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -23.423 -4.986 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -23.573 -3.292 -3.694 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -27.827 -2.960 -2.509 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -27.736 -4.542 -3.320 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -26.504 -4.085 -2.119 1.00 0.00 H new ATOM 1022 N SER A 78 -26.864 -4.639 -7.085 1.00 0.00 N ATOM 1023 CA SER A 78 -28.082 -4.676 -7.881 1.00 0.00 C ATOM 1024 C SER A 78 -29.308 -4.462 -7.005 1.00 0.00 C ATOM 1025 O SER A 78 -29.367 -4.939 -5.871 1.00 0.00 O ATOM 1026 CB SER A 78 -28.197 -6.012 -8.618 1.00 0.00 C ATOM 1027 OG SER A 78 -27.027 -6.285 -9.368 1.00 0.00 O ATOM 0 H SER A 78 -26.599 -5.536 -6.677 1.00 0.00 H new ATOM 0 HA SER A 78 -28.032 -3.869 -8.612 1.00 0.00 H new ATOM 0 HB2 SER A 78 -28.367 -6.814 -7.899 1.00 0.00 H new ATOM 0 HB3 SER A 78 -29.061 -5.991 -9.282 1.00 0.00 H new ATOM 0 HG SER A 78 -27.126 -7.145 -9.827 1.00 0.00 H new ATOM 1033 N ASN A 79 -30.284 -3.739 -7.537 1.00 0.00 N ATOM 1034 CA ASN A 79 -31.512 -3.462 -6.808 1.00 0.00 C ATOM 1035 C ASN A 79 -31.210 -2.817 -5.461 1.00 0.00 C ATOM 1036 O ASN A 79 -31.960 -2.989 -4.500 1.00 0.00 O ATOM 1037 CB ASN A 79 -32.304 -4.754 -6.600 1.00 0.00 C ATOM 1038 CG ASN A 79 -32.266 -5.659 -7.814 1.00 0.00 C ATOM 1039 OD1 ASN A 79 -32.732 -5.291 -8.893 1.00 0.00 O ATOM 1040 ND2 ASN A 79 -31.713 -6.853 -7.644 1.00 0.00 N ATOM 0 H ASN A 79 -30.248 -3.334 -8.472 1.00 0.00 H new ATOM 0 HA ASN A 79 -32.109 -2.766 -7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -31.902 -5.289 -5.740 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -33.340 -4.508 -6.366 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -31.662 -7.507 -8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -31.339 -7.117 -6.732 1.00 0.00 H new ATOM 1047 N GLY A 80 -30.111 -2.074 -5.397 1.00 0.00 N ATOM 1048 CA GLY A 80 -29.738 -1.423 -4.156 1.00 0.00 C ATOM 1049 C GLY A 80 -28.716 -0.318 -4.342 1.00 0.00 C ATOM 1050 O GLY A 80 -28.326 0.002 -5.465 1.00 0.00 O ATOM 0 H GLY A 80 -29.475 -1.912 -6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -30.631 -1.008 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.336 -2.168 -3.469 1.00 0.00 H new ATOM 1054 N ARG A 81 -28.290 0.264 -3.227 1.00 0.00 N ATOM 1055 CA ARG A 81 -27.306 1.337 -3.233 1.00 0.00 C ATOM 1056 C ARG A 81 -26.598 1.403 -1.888 1.00 0.00 C ATOM 1057 O ARG A 81 -26.821 0.563 -1.016 1.00 0.00 O ATOM 1058 CB ARG A 81 -27.970 2.681 -3.543 1.00 0.00 C ATOM 1059 CG ARG A 81 -29.399 2.795 -3.041 1.00 0.00 C ATOM 1060 CD ARG A 81 -30.120 3.956 -3.703 1.00 0.00 C ATOM 1061 NE ARG A 81 -30.990 4.667 -2.771 1.00 0.00 N ATOM 1062 CZ ARG A 81 -30.540 5.469 -1.811 1.00 0.00 C ATOM 1063 NH1 ARG A 81 -29.236 5.656 -1.657 1.00 0.00 N ATOM 1064 NH2 ARG A 81 -31.394 6.084 -1.004 1.00 0.00 N ATOM 0 H ARG A 81 -28.617 0.005 -2.296 1.00 0.00 H new ATOM 0 HA ARG A 81 -26.574 1.127 -4.013 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -27.375 3.479 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -27.961 2.839 -4.621 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -29.934 1.867 -3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -29.398 2.932 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -29.387 4.650 -4.115 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -30.712 3.585 -4.539 1.00 0.00 H new ATOM 0 HE ARG A 81 -31.998 4.542 -2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -28.577 5.184 -2.276 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -28.893 6.272 -0.920 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -32.397 5.942 -1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -31.047 6.699 -0.268 1.00 0.00 H new ATOM 1078 N HIS A 82 -25.753 2.408 -1.719 1.00 0.00 N ATOM 1079 CA HIS A 82 -25.002 2.568 -0.481 1.00 0.00 C ATOM 1080 C HIS A 82 -25.274 3.921 0.167 1.00 0.00 C ATOM 1081 O HIS A 82 -25.759 4.848 -0.482 1.00 0.00 O ATOM 1082 CB HIS A 82 -23.510 2.414 -0.756 1.00 0.00 C ATOM 1083 CG HIS A 82 -23.059 3.145 -1.981 1.00 0.00 C ATOM 1084 ND1 HIS A 82 -22.624 2.506 -3.123 1.00 0.00 N ATOM 1085 CD2 HIS A 82 -23.000 4.472 -2.249 1.00 0.00 C ATOM 1086 CE1 HIS A 82 -22.308 3.406 -4.036 1.00 0.00 C ATOM 1087 NE2 HIS A 82 -22.528 4.606 -3.530 1.00 0.00 N ATOM 0 H HIS A 82 -25.569 3.125 -2.421 1.00 0.00 H new ATOM 0 HA HIS A 82 -25.328 1.793 0.212 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -22.949 2.779 0.104 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -23.274 1.355 -0.865 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -22.557 1.495 -3.244 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -23.273 5.274 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.934 3.197 -5.027 1.00 0.00 H new ATOM 1096 N ASN A 83 -24.952 4.026 1.454 1.00 0.00 N ATOM 1097 CA ASN A 83 -25.150 5.266 2.196 1.00 0.00 C ATOM 1098 C ASN A 83 -23.917 6.162 2.081 1.00 0.00 C ATOM 1099 O ASN A 83 -23.063 5.942 1.223 1.00 0.00 O ATOM 1100 CB ASN A 83 -25.456 4.961 3.665 1.00 0.00 C ATOM 1101 CG ASN A 83 -26.651 4.043 3.825 1.00 0.00 C ATOM 1102 OD1 ASN A 83 -26.927 3.639 5.059 1.00 0.00 O flip ATOM 1103 ND2 ASN A 83 -27.322 3.705 2.850 1.00 0.00 N flip ATOM 0 H ASN A 83 -24.552 3.266 2.004 1.00 0.00 H new ATOM 0 HA ASN A 83 -26.000 5.796 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -24.583 4.501 4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -25.644 5.894 4.196 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -27.073 4.040 1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -28.127 3.090 2.973 1.00 0.00 H new ATOM 1165 N PHE A 88 -15.261 10.446 -1.469 1.00 0.00 N ATOM 1166 CA PHE A 88 -14.099 9.601 -1.309 1.00 0.00 C ATOM 1167 C PHE A 88 -14.048 8.988 0.082 1.00 0.00 C ATOM 1168 O PHE A 88 -14.674 9.483 1.019 1.00 0.00 O ATOM 1169 CB PHE A 88 -12.837 10.408 -1.569 1.00 0.00 C ATOM 1170 CG PHE A 88 -12.420 10.405 -3.004 1.00 0.00 C ATOM 1171 CD1 PHE A 88 -11.666 9.364 -3.510 1.00 0.00 C ATOM 1172 CD2 PHE A 88 -12.800 11.431 -3.851 1.00 0.00 C ATOM 1173 CE1 PHE A 88 -11.284 9.349 -4.834 1.00 0.00 C ATOM 1174 CE2 PHE A 88 -12.423 11.424 -5.179 1.00 0.00 C ATOM 1175 CZ PHE A 88 -11.663 10.380 -5.673 1.00 0.00 C ATOM 0 HA PHE A 88 -14.167 8.788 -2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -12.999 11.437 -1.247 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.026 10.007 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.373 8.553 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.398 12.246 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.689 8.532 -5.216 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.721 12.232 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.366 10.370 -6.711 1.00 0.00 H new ATOM 1185 N TYR A 89 -13.296 7.904 0.202 1.00 0.00 N ATOM 1186 CA TYR A 89 -13.140 7.211 1.471 1.00 0.00 C ATOM 1187 C TYR A 89 -11.702 6.734 1.632 1.00 0.00 C ATOM 1188 O TYR A 89 -10.923 6.758 0.678 1.00 0.00 O ATOM 1189 CB TYR A 89 -14.103 6.025 1.553 1.00 0.00 C ATOM 1190 CG TYR A 89 -15.553 6.403 1.360 1.00 0.00 C ATOM 1191 CD1 TYR A 89 -16.028 6.831 0.124 1.00 0.00 C ATOM 1192 CD2 TYR A 89 -16.451 6.315 2.413 1.00 0.00 C ATOM 1193 CE1 TYR A 89 -17.358 7.170 -0.051 1.00 0.00 C ATOM 1194 CE2 TYR A 89 -17.782 6.651 2.246 1.00 0.00 C ATOM 1195 CZ TYR A 89 -18.230 7.077 1.013 1.00 0.00 C ATOM 1196 OH TYR A 89 -19.555 7.409 0.844 1.00 0.00 O ATOM 0 H TYR A 89 -12.781 7.483 -0.571 1.00 0.00 H new ATOM 0 HA TYR A 89 -13.375 7.904 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.825 5.290 0.797 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -13.989 5.543 2.524 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -15.348 6.900 -0.712 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -16.105 5.979 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -17.711 7.505 -1.015 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -18.468 6.580 3.077 1.00 0.00 H new ATOM 0 HH TYR A 89 -20.033 7.287 1.691 1.00 0.00 H new ATOM 1206 N THR A 90 -11.346 6.312 2.837 1.00 0.00 N ATOM 1207 CA THR A 90 -9.986 5.859 3.104 1.00 0.00 C ATOM 1208 C THR A 90 -9.965 4.568 3.910 1.00 0.00 C ATOM 1209 O THR A 90 -11.008 3.993 4.218 1.00 0.00 O ATOM 1210 CB THR A 90 -9.206 6.944 3.846 1.00 0.00 C ATOM 1211 OG1 THR A 90 -10.006 7.538 4.853 1.00 0.00 O ATOM 1212 CG2 THR A 90 -8.714 8.044 2.937 1.00 0.00 C ATOM 0 H THR A 90 -11.973 6.273 3.640 1.00 0.00 H new ATOM 0 HA THR A 90 -9.514 5.660 2.142 1.00 0.00 H new ATOM 0 HB THR A 90 -8.343 6.439 4.280 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.488 8.228 5.317 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.168 8.783 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.054 7.622 2.179 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.565 8.522 2.451 1.00 0.00 H new ATOM 1220 N ASP A 91 -8.761 4.116 4.241 1.00 0.00 N ATOM 1221 CA ASP A 91 -8.586 2.895 5.007 1.00 0.00 C ATOM 1222 C ASP A 91 -9.203 3.027 6.384 1.00 0.00 C ATOM 1223 O ASP A 91 -8.579 3.532 7.318 1.00 0.00 O ATOM 1224 CB ASP A 91 -7.105 2.550 5.137 1.00 0.00 C ATOM 1225 CG ASP A 91 -6.302 3.669 5.770 1.00 0.00 C ATOM 1226 OD1 ASP A 91 -6.180 4.742 5.142 1.00 0.00 O ATOM 1227 OD2 ASP A 91 -5.793 3.472 6.893 1.00 0.00 O ATOM 0 H ASP A 91 -7.890 4.582 3.988 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.093 2.091 4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.997 1.646 5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.699 2.329 4.150 1.00 0.00 H new ATOM 1232 N GLY A 92 -10.433 2.566 6.498 1.00 0.00 N ATOM 1233 CA GLY A 92 -11.117 2.600 7.770 1.00 0.00 C ATOM 1234 C GLY A 92 -12.492 3.238 7.697 1.00 0.00 C ATOM 1235 O GLY A 92 -13.087 3.551 8.728 1.00 0.00 O ATOM 0 H GLY A 92 -10.973 2.167 5.730 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -11.216 1.583 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.507 3.149 8.488 1.00 0.00 H new ATOM 1239 N SER A 93 -13.003 3.441 6.484 1.00 0.00 N ATOM 1240 CA SER A 93 -14.325 4.034 6.318 1.00 0.00 C ATOM 1241 C SER A 93 -15.392 2.949 6.277 1.00 0.00 C ATOM 1242 O SER A 93 -15.111 1.802 5.931 1.00 0.00 O ATOM 1243 CB SER A 93 -14.390 4.883 5.046 1.00 0.00 C ATOM 1244 OG SER A 93 -13.094 5.175 4.557 1.00 0.00 O ATOM 0 H SER A 93 -12.527 3.206 5.613 1.00 0.00 H new ATOM 0 HA SER A 93 -14.512 4.683 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.959 4.354 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.921 5.812 5.253 1.00 0.00 H new ATOM 0 HG SER A 93 -12.707 4.370 4.154 1.00 0.00 H new ATOM 1250 N VAL A 94 -16.611 3.312 6.650 1.00 0.00 N ATOM 1251 CA VAL A 94 -17.713 2.364 6.662 1.00 0.00 C ATOM 1252 C VAL A 94 -18.956 2.967 6.017 1.00 0.00 C ATOM 1253 O VAL A 94 -19.189 4.173 6.092 1.00 0.00 O ATOM 1254 CB VAL A 94 -18.042 1.902 8.099 1.00 0.00 C ATOM 1255 CG1 VAL A 94 -16.863 1.150 8.691 1.00 0.00 C ATOM 1256 CG2 VAL A 94 -19.295 1.036 8.126 1.00 0.00 C ATOM 0 H VAL A 94 -16.860 4.255 6.948 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.400 1.495 6.083 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.235 2.788 8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -17.107 0.830 9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.643 0.276 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -15.991 1.803 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.501 0.726 9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -20.140 1.607 7.743 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.141 0.154 7.504 1.00 0.00 H new ATOM 1266 N VAL A 95 -19.749 2.111 5.387 1.00 0.00 N ATOM 1267 CA VAL A 95 -20.977 2.540 4.735 1.00 0.00 C ATOM 1268 C VAL A 95 -22.037 1.451 4.820 1.00 0.00 C ATOM 1269 O VAL A 95 -21.717 0.265 4.898 1.00 0.00 O ATOM 1270 CB VAL A 95 -20.741 2.894 3.255 1.00 0.00 C ATOM 1271 CG1 VAL A 95 -22.015 3.418 2.618 1.00 0.00 C ATOM 1272 CG2 VAL A 95 -19.621 3.910 3.117 1.00 0.00 C ATOM 0 H VAL A 95 -19.562 1.111 5.314 1.00 0.00 H new ATOM 0 HA VAL A 95 -21.321 3.432 5.258 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.445 1.984 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.825 3.662 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -22.792 2.656 2.678 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -22.344 4.313 3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.471 4.146 2.063 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -19.885 4.819 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.701 3.496 3.530 1.00 0.00 H new ATOM 1282 N THR A 96 -23.296 1.861 4.811 1.00 0.00 N ATOM 1283 CA THR A 96 -24.401 0.917 4.881 1.00 0.00 C ATOM 1284 C THR A 96 -25.126 0.842 3.546 1.00 0.00 C ATOM 1285 O THR A 96 -25.398 1.864 2.917 1.00 0.00 O ATOM 1286 CB THR A 96 -25.376 1.317 5.988 1.00 0.00 C ATOM 1287 OG1 THR A 96 -25.050 2.596 6.504 1.00 0.00 O ATOM 1288 CG2 THR A 96 -25.398 0.344 7.147 1.00 0.00 C ATOM 0 H THR A 96 -23.578 2.840 4.756 1.00 0.00 H new ATOM 0 HA THR A 96 -23.995 -0.068 5.111 1.00 0.00 H new ATOM 0 HB THR A 96 -26.360 1.319 5.520 1.00 0.00 H new ATOM 0 HG1 THR A 96 -25.761 3.231 6.276 1.00 0.00 H new ATOM 0 HG21 THR A 96 -26.111 0.687 7.897 1.00 0.00 H new ATOM 0 HG22 THR A 96 -25.695 -0.642 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 96 -24.404 0.285 7.591 1.00 0.00 H new ATOM 1296 N TYR A 97 -25.422 -0.375 3.111 1.00 0.00 N ATOM 1297 CA TYR A 97 -26.097 -0.580 1.840 1.00 0.00 C ATOM 1298 C TYR A 97 -27.605 -0.678 2.027 1.00 0.00 C ATOM 1299 O TYR A 97 -28.091 -0.960 3.121 1.00 0.00 O ATOM 1300 CB TYR A 97 -25.557 -1.831 1.152 1.00 0.00 C ATOM 1301 CG TYR A 97 -24.365 -1.558 0.266 1.00 0.00 C ATOM 1302 CD1 TYR A 97 -23.241 -0.908 0.762 1.00 0.00 C ATOM 1303 CD2 TYR A 97 -24.364 -1.946 -1.065 1.00 0.00 C ATOM 1304 CE1 TYR A 97 -22.150 -0.656 -0.044 1.00 0.00 C ATOM 1305 CE2 TYR A 97 -23.275 -1.698 -1.879 1.00 0.00 C ATOM 1306 CZ TYR A 97 -22.171 -1.054 -1.364 1.00 0.00 C ATOM 1307 OH TYR A 97 -21.084 -0.806 -2.171 1.00 0.00 O ATOM 0 H TYR A 97 -25.205 -1.232 3.619 1.00 0.00 H new ATOM 0 HA TYR A 97 -25.897 0.283 1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -25.277 -2.562 1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -26.350 -2.279 0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -23.221 -0.595 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -25.228 -2.450 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -21.284 -0.150 0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -23.289 -2.007 -2.914 1.00 0.00 H new ATOM 0 HH TYR A 97 -21.320 -0.129 -2.839 1.00 0.00 H new ATOM 1317 N SER A 98 -28.340 -0.404 0.960 1.00 0.00 N ATOM 1318 CA SER A 98 -29.798 -0.448 1.010 1.00 0.00 C ATOM 1319 C SER A 98 -30.379 -0.807 -0.351 1.00 0.00 C ATOM 1320 O SER A 98 -29.800 -0.489 -1.385 1.00 0.00 O ATOM 1321 CB SER A 98 -30.353 0.899 1.475 1.00 0.00 C ATOM 1322 OG SER A 98 -29.313 1.757 1.911 1.00 0.00 O ATOM 0 H SER A 98 -27.955 -0.149 0.051 1.00 0.00 H new ATOM 0 HA SER A 98 -30.089 -1.220 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 98 -30.900 1.371 0.659 1.00 0.00 H new ATOM 0 HB3 SER A 98 -31.063 0.742 2.287 1.00 0.00 H new ATOM 0 HG SER A 98 -29.662 2.666 2.018 1.00 0.00 H new ATOM 1328 N CYS A 99 -31.529 -1.469 -0.345 1.00 0.00 N ATOM 1329 CA CYS A 99 -32.178 -1.880 -1.584 1.00 0.00 C ATOM 1330 C CYS A 99 -33.053 -0.763 -2.145 1.00 0.00 C ATOM 1331 O CYS A 99 -33.508 0.113 -1.410 1.00 0.00 O ATOM 1332 CB CYS A 99 -33.008 -3.138 -1.349 1.00 0.00 C ATOM 1333 SG CYS A 99 -32.034 -4.546 -0.726 1.00 0.00 S ATOM 0 H CYS A 99 -32.031 -1.733 0.503 1.00 0.00 H new ATOM 0 HA CYS A 99 -31.402 -2.098 -2.318 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -33.802 -2.912 -0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -33.490 -3.425 -2.283 1.00 0.00 H new ATOM 1338 N ASN A 100 -33.274 -0.796 -3.457 1.00 0.00 N ATOM 1339 CA ASN A 100 -34.071 0.224 -4.125 1.00 0.00 C ATOM 1340 C ASN A 100 -35.538 -0.187 -4.213 1.00 0.00 C ATOM 1341 O ASN A 100 -36.387 0.361 -3.510 1.00 0.00 O ATOM 1342 CB ASN A 100 -33.512 0.490 -5.524 1.00 0.00 C ATOM 1343 CG ASN A 100 -32.020 0.752 -5.506 1.00 0.00 C ATOM 1344 OD1 ASN A 100 -31.530 1.560 -4.718 1.00 0.00 O ATOM 1345 ND2 ASN A 100 -31.288 0.065 -6.374 1.00 0.00 N ATOM 0 H ASN A 100 -32.911 -1.520 -4.077 1.00 0.00 H new ATOM 0 HA ASN A 100 -34.015 1.139 -3.535 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -33.721 -0.366 -6.165 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -34.024 1.347 -5.961 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -30.277 0.197 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -31.736 -0.595 -7.009 1.00 0.00 H new ATOM 1352 N SER A 101 -35.835 -1.146 -5.086 1.00 0.00 N ATOM 1353 CA SER A 101 -37.202 -1.622 -5.256 1.00 0.00 C ATOM 1354 C SER A 101 -37.812 -2.008 -3.913 1.00 0.00 C ATOM 1355 O SER A 101 -39.032 -2.002 -3.748 1.00 0.00 O ATOM 1356 CB SER A 101 -37.233 -2.821 -6.207 1.00 0.00 C ATOM 1357 OG SER A 101 -38.535 -3.027 -6.728 1.00 0.00 O ATOM 0 H SER A 101 -35.149 -1.607 -5.684 1.00 0.00 H new ATOM 0 HA SER A 101 -37.792 -0.812 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 101 -36.532 -2.658 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 101 -36.904 -3.716 -5.679 1.00 0.00 H new ATOM 0 HG SER A 101 -38.527 -3.798 -7.333 1.00 0.00 H new ATOM 1363 N GLY A 102 -36.953 -2.340 -2.955 1.00 0.00 N ATOM 1364 CA GLY A 102 -37.424 -2.720 -1.637 1.00 0.00 C ATOM 1365 C GLY A 102 -36.984 -4.116 -1.243 1.00 0.00 C ATOM 1366 O GLY A 102 -37.675 -4.800 -0.487 1.00 0.00 O ATOM 0 H GLY A 102 -35.939 -2.353 -3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -37.054 -2.005 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -38.512 -2.666 -1.614 1.00 0.00 H new ATOM 1370 N TYR A 103 -35.833 -4.544 -1.755 1.00 0.00 N ATOM 1371 CA TYR A 103 -35.302 -5.856 -1.441 1.00 0.00 C ATOM 1372 C TYR A 103 -34.735 -5.879 -0.028 1.00 0.00 C ATOM 1373 O TYR A 103 -34.817 -4.893 0.704 1.00 0.00 O ATOM 1374 CB TYR A 103 -34.202 -6.224 -2.443 1.00 0.00 C ATOM 1375 CG TYR A 103 -34.726 -6.752 -3.760 1.00 0.00 C ATOM 1376 CD1 TYR A 103 -35.049 -5.888 -4.798 1.00 0.00 C ATOM 1377 CD2 TYR A 103 -34.883 -8.117 -3.969 1.00 0.00 C ATOM 1378 CE1 TYR A 103 -35.523 -6.367 -6.005 1.00 0.00 C ATOM 1379 CE2 TYR A 103 -35.354 -8.604 -5.175 1.00 0.00 C ATOM 1380 CZ TYR A 103 -35.675 -7.725 -6.187 1.00 0.00 C ATOM 1381 OH TYR A 103 -36.147 -8.207 -7.387 1.00 0.00 O ATOM 0 H TYR A 103 -35.253 -3.996 -2.390 1.00 0.00 H new ATOM 0 HA TYR A 103 -36.112 -6.583 -1.506 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -33.588 -5.344 -2.634 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -33.552 -6.975 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -34.928 -4.824 -4.660 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -34.633 -8.808 -3.178 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -35.773 -5.681 -6.801 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -35.470 -9.668 -5.323 1.00 0.00 H new ATOM 0 HH TYR A 103 -36.194 -9.185 -7.351 1.00 0.00 H new ATOM 1391 N SER A 104 -34.145 -7.005 0.336 1.00 0.00 N ATOM 1392 CA SER A 104 -33.497 -7.150 1.632 1.00 0.00 C ATOM 1393 C SER A 104 -32.044 -7.529 1.423 1.00 0.00 C ATOM 1394 O SER A 104 -31.729 -8.688 1.152 1.00 0.00 O ATOM 1395 CB SER A 104 -34.194 -8.212 2.476 1.00 0.00 C ATOM 1396 OG SER A 104 -35.571 -7.920 2.636 1.00 0.00 O ATOM 0 H SER A 104 -34.101 -7.838 -0.251 1.00 0.00 H new ATOM 0 HA SER A 104 -33.560 -6.201 2.164 1.00 0.00 H new ATOM 0 HB2 SER A 104 -34.079 -9.188 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 104 -33.717 -8.273 3.454 1.00 0.00 H new ATOM 0 HG SER A 104 -35.992 -8.618 3.180 1.00 0.00 H new ATOM 1402 N LEU A 105 -31.162 -6.544 1.498 1.00 0.00 N ATOM 1403 CA LEU A 105 -29.769 -6.774 1.224 1.00 0.00 C ATOM 1404 C LEU A 105 -29.209 -7.924 2.015 1.00 0.00 C ATOM 1405 O LEU A 105 -29.706 -8.295 3.078 1.00 0.00 O ATOM 1406 CB LEU A 105 -28.952 -5.520 1.419 1.00 0.00 C ATOM 1407 CG LEU A 105 -28.866 -5.024 2.848 1.00 0.00 C ATOM 1408 CD1 LEU A 105 -29.685 -3.760 2.984 1.00 0.00 C ATOM 1409 CD2 LEU A 105 -27.416 -4.792 3.233 1.00 0.00 C ATOM 0 H LEU A 105 -31.395 -5.582 1.747 1.00 0.00 H new ATOM 0 HA LEU A 105 -29.701 -7.055 0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -27.942 -5.703 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -29.377 -4.729 0.801 1.00 0.00 H new ATOM 0 HG LEU A 105 -29.271 -5.774 3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -29.627 -3.398 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -29.295 -2.999 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -30.724 -3.971 2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -27.365 -4.436 4.262 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -26.862 -5.727 3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -26.978 -4.047 2.569 1.00 0.00 H new ATOM 1421 N ILE A 106 -28.205 -8.520 1.416 1.00 0.00 N ATOM 1422 CA ILE A 106 -27.584 -9.714 1.936 1.00 0.00 C ATOM 1423 C ILE A 106 -26.104 -9.502 2.178 1.00 0.00 C ATOM 1424 O ILE A 106 -25.443 -8.797 1.431 1.00 0.00 O ATOM 1425 CB ILE A 106 -27.784 -10.856 0.936 1.00 0.00 C ATOM 1426 CG1 ILE A 106 -29.269 -11.142 0.793 1.00 0.00 C ATOM 1427 CG2 ILE A 106 -27.032 -12.108 1.361 1.00 0.00 C ATOM 1428 CD1 ILE A 106 -29.924 -11.601 2.075 1.00 0.00 C ATOM 0 H ILE A 106 -27.793 -8.186 0.545 1.00 0.00 H new ATOM 0 HA ILE A 106 -28.049 -9.962 2.890 1.00 0.00 H new ATOM 0 HB ILE A 106 -27.378 -10.551 -0.029 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -29.771 -10.241 0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -29.411 -11.906 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -27.197 -12.898 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -25.966 -11.888 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -27.393 -12.436 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -30.983 -11.786 1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -29.448 -12.520 2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -29.814 -10.829 2.837 1.00 0.00 H new ATOM 1440 N GLY A 107 -25.586 -10.145 3.208 1.00 0.00 N ATOM 1441 CA GLY A 107 -24.181 -9.992 3.534 1.00 0.00 C ATOM 1442 C GLY A 107 -23.906 -8.684 4.235 1.00 0.00 C ATOM 1443 O GLY A 107 -22.914 -8.012 3.960 1.00 0.00 O ATOM 0 H GLY A 107 -26.107 -10.769 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -23.864 -10.819 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -23.588 -10.046 2.621 1.00 0.00 H new ATOM 1447 N ASN A 108 -24.834 -8.331 5.104 1.00 0.00 N ATOM 1448 CA ASN A 108 -24.784 -7.114 5.918 1.00 0.00 C ATOM 1449 C ASN A 108 -24.577 -5.845 5.089 1.00 0.00 C ATOM 1450 O ASN A 108 -23.782 -5.808 4.152 1.00 0.00 O ATOM 1451 CB ASN A 108 -23.713 -7.231 7.003 1.00 0.00 C ATOM 1452 CG ASN A 108 -22.309 -7.352 6.449 1.00 0.00 C ATOM 1453 OD1 ASN A 108 -21.609 -6.355 6.272 1.00 0.00 O ATOM 1454 ND2 ASN A 108 -21.886 -8.582 6.183 1.00 0.00 N ATOM 0 H ASN A 108 -25.669 -8.892 5.274 1.00 0.00 H new ATOM 0 HA ASN A 108 -25.761 -7.019 6.391 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -23.766 -6.357 7.652 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -23.928 -8.101 7.623 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -20.946 -8.730 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -22.501 -9.379 6.345 1.00 0.00 H new ATOM 1461 N SER A 109 -25.306 -4.799 5.466 1.00 0.00 N ATOM 1462 CA SER A 109 -25.238 -3.513 4.783 1.00 0.00 C ATOM 1463 C SER A 109 -23.903 -2.822 5.022 1.00 0.00 C ATOM 1464 O SER A 109 -23.470 -1.991 4.224 1.00 0.00 O ATOM 1465 CB SER A 109 -26.376 -2.620 5.261 1.00 0.00 C ATOM 1466 OG SER A 109 -27.372 -3.375 5.928 1.00 0.00 O ATOM 0 H SER A 109 -25.958 -4.819 6.250 1.00 0.00 H new ATOM 0 HA SER A 109 -25.333 -3.693 3.712 1.00 0.00 H new ATOM 0 HB2 SER A 109 -25.985 -1.855 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 109 -26.818 -2.102 4.410 1.00 0.00 H new ATOM 0 HG SER A 109 -28.090 -2.778 6.226 1.00 0.00 H new ATOM 1472 N GLY A 110 -23.258 -3.166 6.126 1.00 0.00 N ATOM 1473 CA GLY A 110 -21.981 -2.563 6.455 1.00 0.00 C ATOM 1474 C GLY A 110 -20.897 -2.911 5.453 1.00 0.00 C ATOM 1475 O GLY A 110 -20.751 -4.069 5.064 1.00 0.00 O ATOM 0 H GLY A 110 -23.595 -3.852 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -22.095 -1.480 6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -21.673 -2.892 7.447 1.00 0.00 H new ATOM 1479 N VAL A 111 -20.138 -1.903 5.032 1.00 0.00 N ATOM 1480 CA VAL A 111 -19.048 -2.104 4.084 1.00 0.00 C ATOM 1481 C VAL A 111 -17.789 -1.393 4.560 1.00 0.00 C ATOM 1482 O VAL A 111 -17.794 -0.182 4.768 1.00 0.00 O ATOM 1483 CB VAL A 111 -19.403 -1.591 2.681 1.00 0.00 C ATOM 1484 CG1 VAL A 111 -18.496 -2.222 1.637 1.00 0.00 C ATOM 1485 CG2 VAL A 111 -20.864 -1.856 2.358 1.00 0.00 C ATOM 0 H VAL A 111 -20.259 -0.936 5.334 1.00 0.00 H new ATOM 0 HA VAL A 111 -18.875 -3.179 4.028 1.00 0.00 H new ATOM 0 HB VAL A 111 -19.247 -0.512 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -18.762 -1.847 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -17.459 -1.967 1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -18.616 -3.305 1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -21.089 -1.483 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -21.057 -2.928 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -21.496 -1.347 3.086 1.00 0.00 H new ATOM 1495 N LEU A 112 -16.712 -2.148 4.738 1.00 0.00 N ATOM 1496 CA LEU A 112 -15.458 -1.573 5.207 1.00 0.00 C ATOM 1497 C LEU A 112 -14.621 -1.049 4.050 1.00 0.00 C ATOM 1498 O LEU A 112 -14.213 -1.807 3.171 1.00 0.00 O ATOM 1499 CB LEU A 112 -14.647 -2.608 5.991 1.00 0.00 C ATOM 1500 CG LEU A 112 -13.210 -2.189 6.330 1.00 0.00 C ATOM 1501 CD1 LEU A 112 -12.368 -3.405 6.685 1.00 0.00 C ATOM 1502 CD2 LEU A 112 -13.204 -1.184 7.471 1.00 0.00 C ATOM 0 H LEU A 112 -16.681 -3.153 4.566 1.00 0.00 H new ATOM 0 HA LEU A 112 -15.710 -0.739 5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -15.173 -2.831 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -14.613 -3.532 5.414 1.00 0.00 H new ATOM 0 HG LEU A 112 -12.774 -1.715 5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -11.353 -3.088 6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -12.802 -3.908 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -12.345 -4.091 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -12.177 -0.898 7.698 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -13.771 -0.300 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -13.659 -1.633 8.354 1.00 0.00 H new ATOM 1514 N CYS A 113 -14.340 0.247 4.076 1.00 0.00 N ATOM 1515 CA CYS A 113 -13.490 0.856 3.071 1.00 0.00 C ATOM 1516 C CYS A 113 -12.034 0.728 3.498 1.00 0.00 C ATOM 1517 O CYS A 113 -11.576 1.450 4.387 1.00 0.00 O ATOM 1518 CB CYS A 113 -13.845 2.328 2.886 1.00 0.00 C ATOM 1519 SG CYS A 113 -12.658 3.263 1.865 1.00 0.00 S ATOM 0 H CYS A 113 -14.690 0.894 4.783 1.00 0.00 H new ATOM 0 HA CYS A 113 -13.643 0.342 2.122 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.832 2.397 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -13.913 2.799 3.866 1.00 0.00 H new ATOM 1524 N SER A 114 -11.325 -0.213 2.894 1.00 0.00 N ATOM 1525 CA SER A 114 -9.931 -0.448 3.238 1.00 0.00 C ATOM 1526 C SER A 114 -9.182 -1.110 2.091 1.00 0.00 C ATOM 1527 O SER A 114 -9.752 -1.889 1.326 1.00 0.00 O ATOM 1528 CB SER A 114 -9.838 -1.319 4.493 1.00 0.00 C ATOM 1529 OG SER A 114 -8.596 -1.137 5.151 1.00 0.00 O ATOM 0 H SER A 114 -11.691 -0.825 2.165 1.00 0.00 H new ATOM 0 HA SER A 114 -9.466 0.518 3.433 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.653 -1.070 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.959 -2.368 4.221 1.00 0.00 H new ATOM 0 HG SER A 114 -8.563 -1.703 5.950 1.00 0.00 H new ATOM 1535 N GLY A 115 -7.898 -0.796 1.984 1.00 0.00 N ATOM 1536 CA GLY A 115 -7.076 -1.367 0.932 1.00 0.00 C ATOM 1537 C GLY A 115 -7.444 -0.843 -0.442 1.00 0.00 C ATOM 1538 O GLY A 115 -7.200 -1.505 -1.450 1.00 0.00 O ATOM 0 H GLY A 115 -7.409 -0.154 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -6.028 -1.145 1.133 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -7.180 -2.452 0.943 1.00 0.00 H new ATOM 1542 N GLY A 116 -8.028 0.350 -0.483 1.00 0.00 N ATOM 1543 CA GLY A 116 -8.424 0.937 -1.750 1.00 0.00 C ATOM 1544 C GLY A 116 -9.665 0.291 -2.337 1.00 0.00 C ATOM 1545 O GLY A 116 -10.063 0.608 -3.458 1.00 0.00 O ATOM 0 H GLY A 116 -8.234 0.920 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.607 2.002 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -7.602 0.845 -2.460 1.00 0.00 H new ATOM 1549 N GLU A 117 -10.279 -0.616 -1.583 1.00 0.00 N ATOM 1550 CA GLU A 117 -11.486 -1.289 -2.031 1.00 0.00 C ATOM 1551 C GLU A 117 -12.488 -1.389 -0.893 1.00 0.00 C ATOM 1552 O GLU A 117 -12.190 -1.026 0.245 1.00 0.00 O ATOM 1553 CB GLU A 117 -11.156 -2.686 -2.562 1.00 0.00 C ATOM 1554 CG GLU A 117 -10.330 -2.670 -3.836 1.00 0.00 C ATOM 1555 CD GLU A 117 -10.675 -3.811 -4.772 1.00 0.00 C ATOM 1556 OE1 GLU A 117 -11.877 -4.123 -4.910 1.00 0.00 O ATOM 1557 OE2 GLU A 117 -9.745 -4.392 -5.369 1.00 0.00 O ATOM 0 H GLU A 117 -9.957 -0.900 -0.658 1.00 0.00 H new ATOM 0 HA GLU A 117 -11.926 -0.703 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.615 -3.239 -1.794 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -12.085 -3.224 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.485 -1.723 -4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.272 -2.724 -3.579 1.00 0.00 H new ATOM 1564 N TRP A 118 -13.677 -1.881 -1.203 1.00 0.00 N ATOM 1565 CA TRP A 118 -14.722 -2.020 -0.204 1.00 0.00 C ATOM 1566 C TRP A 118 -14.931 -3.484 0.159 1.00 0.00 C ATOM 1567 O TRP A 118 -15.087 -4.336 -0.716 1.00 0.00 O ATOM 1568 CB TRP A 118 -16.020 -1.410 -0.721 1.00 0.00 C ATOM 1569 CG TRP A 118 -15.993 0.087 -0.754 1.00 0.00 C ATOM 1570 CD1 TRP A 118 -15.559 0.876 -1.780 1.00 0.00 C ATOM 1571 CD2 TRP A 118 -16.409 0.975 0.288 1.00 0.00 C ATOM 1572 NE1 TRP A 118 -15.690 2.201 -1.443 1.00 0.00 N ATOM 1573 CE2 TRP A 118 -16.209 2.288 -0.178 1.00 0.00 C ATOM 1574 CE3 TRP A 118 -16.936 0.787 1.568 1.00 0.00 C ATOM 1575 CZ2 TRP A 118 -16.516 3.406 0.593 1.00 0.00 C ATOM 1576 CZ3 TRP A 118 -17.241 1.898 2.332 1.00 0.00 C ATOM 1577 CH2 TRP A 118 -17.032 3.192 1.842 1.00 0.00 C ATOM 0 H TRP A 118 -13.941 -2.190 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 118 -14.415 -1.488 0.697 1.00 0.00 H new ATOM 0 HB2 TRP A 118 -16.217 -1.786 -1.725 1.00 0.00 H new ATOM 0 HB3 TRP A 118 -16.846 -1.739 -0.090 1.00 0.00 H new ATOM 0 HD1 TRP A 118 -15.170 0.512 -2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 118 -15.441 2.992 -2.038 1.00 0.00 H new ATOM 0 HE3 TRP A 118 -17.102 -0.208 1.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 118 -16.353 4.406 0.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 118 -17.647 1.765 3.324 1.00 0.00 H new ATOM 0 HH2 TRP A 118 -17.283 4.039 2.463 1.00 0.00 H new ATOM 1588 N SER A 119 -14.915 -3.770 1.454 1.00 0.00 N ATOM 1589 CA SER A 119 -15.070 -5.135 1.933 1.00 0.00 C ATOM 1590 C SER A 119 -16.493 -5.402 2.412 1.00 0.00 C ATOM 1591 O SER A 119 -17.244 -4.478 2.726 1.00 0.00 O ATOM 1592 CB SER A 119 -14.080 -5.410 3.066 1.00 0.00 C ATOM 1593 OG SER A 119 -13.380 -4.232 3.428 1.00 0.00 O ATOM 0 H SER A 119 -14.796 -3.075 2.191 1.00 0.00 H new ATOM 0 HA SER A 119 -14.864 -5.806 1.099 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.613 -5.801 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.371 -6.177 2.755 1.00 0.00 H new ATOM 0 HG SER A 119 -14.014 -3.491 3.526 1.00 0.00 H new ATOM 1599 N ASP A 120 -16.839 -6.684 2.479 1.00 0.00 N ATOM 1600 CA ASP A 120 -18.152 -7.126 2.938 1.00 0.00 C ATOM 1601 C ASP A 120 -19.297 -6.343 2.294 1.00 0.00 C ATOM 1602 O ASP A 120 -20.234 -5.932 2.979 1.00 0.00 O ATOM 1603 CB ASP A 120 -18.251 -7.043 4.466 1.00 0.00 C ATOM 1604 CG ASP A 120 -17.690 -5.753 5.032 1.00 0.00 C ATOM 1605 OD1 ASP A 120 -16.450 -5.630 5.112 1.00 0.00 O ATOM 1606 OD2 ASP A 120 -18.489 -4.869 5.401 1.00 0.00 O ATOM 0 H ASP A 120 -16.216 -7.447 2.216 1.00 0.00 H new ATOM 0 HA ASP A 120 -18.255 -8.165 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -19.296 -7.138 4.762 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -17.718 -7.887 4.904 1.00 0.00 H new ATOM 1611 N PRO A 121 -19.277 -6.184 0.959 1.00 0.00 N ATOM 1612 CA PRO A 121 -20.368 -5.535 0.229 1.00 0.00 C ATOM 1613 C PRO A 121 -21.550 -6.487 0.077 1.00 0.00 C ATOM 1614 O PRO A 121 -21.361 -7.667 -0.221 1.00 0.00 O ATOM 1615 CB PRO A 121 -19.739 -5.223 -1.125 1.00 0.00 C ATOM 1616 CG PRO A 121 -18.729 -6.304 -1.323 1.00 0.00 C ATOM 1617 CD PRO A 121 -18.228 -6.683 0.050 1.00 0.00 C ATOM 0 HA PRO A 121 -20.760 -4.650 0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -20.485 -5.226 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.273 -4.238 -1.129 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.175 -7.164 -1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -17.909 -5.958 -1.953 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -18.097 -7.761 0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -17.262 -6.225 0.264 1.00 0.00 H new ATOM 1625 N PRO A 122 -22.784 -6.016 0.317 1.00 0.00 N ATOM 1626 CA PRO A 122 -23.953 -6.873 0.296 1.00 0.00 C ATOM 1627 C PRO A 122 -24.676 -6.920 -1.038 1.00 0.00 C ATOM 1628 O PRO A 122 -24.247 -6.327 -2.028 1.00 0.00 O ATOM 1629 CB PRO A 122 -24.849 -6.241 1.352 1.00 0.00 C ATOM 1630 CG PRO A 122 -24.497 -4.794 1.359 1.00 0.00 C ATOM 1631 CD PRO A 122 -23.129 -4.651 0.736 1.00 0.00 C ATOM 0 HA PRO A 122 -23.678 -7.912 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -25.902 -6.387 1.112 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -24.680 -6.691 2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -25.234 -4.218 0.799 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -24.496 -4.406 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -23.146 -3.966 -0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -22.405 -4.258 1.449 1.00 0.00 H new ATOM 1639 N THR A 123 -25.785 -7.646 -1.034 1.00 0.00 N ATOM 1640 CA THR A 123 -26.633 -7.800 -2.209 1.00 0.00 C ATOM 1641 C THR A 123 -28.013 -7.237 -1.913 1.00 0.00 C ATOM 1642 O THR A 123 -28.154 -6.386 -1.040 1.00 0.00 O ATOM 1643 CB THR A 123 -26.731 -9.279 -2.589 1.00 0.00 C ATOM 1644 OG1 THR A 123 -25.688 -10.022 -1.982 1.00 0.00 O ATOM 1645 CG2 THR A 123 -26.664 -9.525 -4.078 1.00 0.00 C ATOM 0 H THR A 123 -26.124 -8.147 -0.213 1.00 0.00 H new ATOM 0 HA THR A 123 -26.199 -7.254 -3.047 1.00 0.00 H new ATOM 0 HB THR A 123 -27.708 -9.602 -2.231 1.00 0.00 H new ATOM 0 HG1 THR A 123 -25.768 -10.965 -2.235 1.00 0.00 H new ATOM 0 HG21 THR A 123 -26.739 -10.595 -4.274 1.00 0.00 H new ATOM 0 HG22 THR A 123 -27.487 -9.007 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 123 -25.717 -9.151 -4.466 1.00 0.00 H new ATOM 1653 N CYS A 124 -29.027 -7.718 -2.630 1.00 0.00 N ATOM 1654 CA CYS A 124 -30.398 -7.282 -2.391 1.00 0.00 C ATOM 1655 C CYS A 124 -31.389 -8.358 -2.818 1.00 0.00 C ATOM 1656 O CYS A 124 -31.856 -8.372 -3.957 1.00 0.00 O ATOM 1657 CB CYS A 124 -30.696 -5.973 -3.119 1.00 0.00 C ATOM 1658 SG CYS A 124 -30.336 -4.484 -2.133 1.00 0.00 S ATOM 0 H CYS A 124 -28.925 -8.406 -3.376 1.00 0.00 H new ATOM 0 HA CYS A 124 -30.508 -7.110 -1.320 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -30.112 -5.938 -4.038 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -31.747 -5.960 -3.408 1.00 0.00 H new ATOM 1663 N GLN A 125 -31.698 -9.260 -1.894 1.00 0.00 N ATOM 1664 CA GLN A 125 -32.625 -10.346 -2.163 1.00 0.00 C ATOM 1665 C GLN A 125 -33.873 -10.217 -1.299 1.00 0.00 C ATOM 1666 O GLN A 125 -33.878 -9.504 -0.296 1.00 0.00 O ATOM 1667 CB GLN A 125 -31.949 -11.693 -1.903 1.00 0.00 C ATOM 1668 CG GLN A 125 -31.277 -12.280 -3.132 1.00 0.00 C ATOM 1669 CD GLN A 125 -30.159 -13.243 -2.782 1.00 0.00 C ATOM 1670 OE1 GLN A 125 -30.212 -13.931 -1.762 1.00 0.00 O ATOM 1671 NE2 GLN A 125 -29.138 -13.297 -3.630 1.00 0.00 N ATOM 0 H GLN A 125 -31.316 -9.258 -0.948 1.00 0.00 H new ATOM 0 HA GLN A 125 -32.921 -10.291 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -31.206 -11.572 -1.115 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -32.693 -12.399 -1.533 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -32.022 -12.798 -3.736 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -30.877 -11.471 -3.744 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -29.136 -12.709 -4.463 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -28.357 -13.927 -3.448 1.00 0.00 H new ATOM 1680 N ILE A 126 -34.926 -10.916 -1.696 1.00 0.00 N ATOM 1681 CA ILE A 126 -36.186 -10.883 -0.965 1.00 0.00 C ATOM 1682 C ILE A 126 -36.243 -11.988 0.084 1.00 0.00 C ATOM 1683 O ILE A 126 -36.976 -12.966 -0.068 1.00 0.00 O ATOM 1684 CB ILE A 126 -37.388 -11.028 -1.915 1.00 0.00 C ATOM 1685 CG1 ILE A 126 -37.329 -9.962 -3.007 1.00 0.00 C ATOM 1686 CG2 ILE A 126 -38.693 -10.932 -1.140 1.00 0.00 C ATOM 1687 CD1 ILE A 126 -37.561 -8.557 -2.496 1.00 0.00 C ATOM 0 H ILE A 126 -34.934 -11.514 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 126 -36.239 -9.914 -0.469 1.00 0.00 H new ATOM 0 HB ILE A 126 -37.344 -12.009 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -36.355 -10.006 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -38.076 -10.191 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -39.533 -11.037 -1.827 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -38.733 -11.726 -0.395 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -38.750 -9.964 -0.642 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -37.505 -7.854 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -38.547 -8.496 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -36.799 -8.308 -1.757 1.00 0.00 H new