USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 802 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 107 THR OG1 : rot -139:sc= 0.679 USER MOD Set 1.2: A 109 HIS : no HD1:sc= -0.0477 X(o=0.63,f=0.68) USER MOD Set 2.1: A 69 THR OG1 : rot -57:sc= -0.437 USER MOD Set 2.2: A 71 SER OG : rot -169:sc= -0.539 USER MOD Set 2.3: A 73 GLN : amide:sc= -0.963 K(o=-1.9,f=-1.3) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-0.58) USER MOD Single : A 15 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.99) USER MOD Single : A 19 SER OG : rot -81:sc= -1.66 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -170:sc= -0.671! USER MOD Single : A 26 THR OG1 : rot 19:sc= -0.702! USER MOD Single : A 28 THR OG1 : rot 135:sc= -0.7 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0573 USER MOD Single : A 38 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.2!) USER MOD Single : A 40 MET CE :methyl -101:sc= -17! (180deg=-27.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.963 USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.5! C(o=-3.5!,f=-3.5!) USER MOD Single : A 80 GLN : amide:sc= -1.09 K(o=-1.1,f=0.67) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -2.78! C(o=-2.8!,f=-10!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 104 ASN : amide:sc= -7.5! C(o=-7.5!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -12.456 -4.682 9.371 1.00 0.00 N ATOM 92 CA PRO A 8 -11.040 -4.850 9.744 1.00 0.00 C ATOM 93 C PRO A 8 -10.802 -6.264 10.291 1.00 0.00 C ATOM 94 O PRO A 8 -11.720 -6.931 10.726 1.00 0.00 O ATOM 95 CB PRO A 8 -10.824 -3.799 10.834 1.00 0.00 C ATOM 96 CG PRO A 8 -12.221 -3.488 11.421 1.00 0.00 C ATOM 97 CD PRO A 8 -13.252 -3.919 10.360 1.00 0.00 C ATOM 0 HA PRO A 8 -10.356 -4.726 8.904 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.152 -4.173 11.607 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.367 -2.900 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.378 -4.028 12.355 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.318 -2.426 11.647 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.040 -4.533 10.796 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.737 -3.057 9.902 1.00 0.00 H new ATOM 105 N GLY A 9 -9.579 -6.730 10.277 1.00 0.00 N ATOM 106 CA GLY A 9 -9.296 -8.100 10.796 1.00 0.00 C ATOM 107 C GLY A 9 -10.089 -9.135 9.985 1.00 0.00 C ATOM 108 O GLY A 9 -10.191 -10.286 10.361 1.00 0.00 O ATOM 0 H GLY A 9 -8.766 -6.221 9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.229 -8.311 10.729 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.568 -8.164 11.850 1.00 0.00 H new ATOM 112 N MET A 10 -10.646 -8.732 8.873 1.00 0.00 N ATOM 113 CA MET A 10 -11.432 -9.680 8.026 1.00 0.00 C ATOM 114 C MET A 10 -10.924 -9.583 6.573 1.00 0.00 C ATOM 115 O MET A 10 -11.355 -8.715 5.842 1.00 0.00 O ATOM 116 CB MET A 10 -12.908 -9.276 8.061 1.00 0.00 C ATOM 117 CG MET A 10 -13.489 -9.570 9.445 1.00 0.00 C ATOM 118 SD MET A 10 -14.159 -8.044 10.152 1.00 0.00 S ATOM 119 CE MET A 10 -14.169 -8.581 11.880 1.00 0.00 C ATOM 0 H MET A 10 -10.590 -7.780 8.512 1.00 0.00 H new ATOM 0 HA MET A 10 -11.317 -10.698 8.399 1.00 0.00 H new ATOM 0 HB2 MET A 10 -13.011 -8.216 7.830 1.00 0.00 H new ATOM 0 HB3 MET A 10 -13.463 -9.823 7.299 1.00 0.00 H new ATOM 0 HG2 MET A 10 -14.273 -10.324 9.370 1.00 0.00 H new ATOM 0 HG3 MET A 10 -12.716 -9.977 10.097 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.554 -7.778 12.508 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.806 -9.460 11.984 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.154 -8.830 12.190 1.00 0.00 H new ATOM 129 N ALA A 11 -10.000 -10.433 6.150 1.00 0.00 N ATOM 130 CA ALA A 11 -9.466 -10.342 4.754 1.00 0.00 C ATOM 131 C ALA A 11 -8.316 -9.332 4.752 1.00 0.00 C ATOM 132 O ALA A 11 -7.196 -9.655 4.417 1.00 0.00 O ATOM 133 CB ALA A 11 -10.564 -9.890 3.783 1.00 0.00 C ATOM 0 H ALA A 11 -9.599 -11.181 6.716 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.114 -11.321 4.428 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.156 -9.830 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.384 -10.608 3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.934 -8.910 4.083 1.00 0.00 H new ATOM 139 N ILE A 12 -8.590 -8.121 5.156 1.00 0.00 N ATOM 140 CA ILE A 12 -7.531 -7.077 5.227 1.00 0.00 C ATOM 141 C ILE A 12 -7.006 -7.050 6.675 1.00 0.00 C ATOM 142 O ILE A 12 -7.697 -6.563 7.547 1.00 0.00 O ATOM 143 CB ILE A 12 -8.140 -5.717 4.882 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.666 -5.742 3.445 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.074 -4.628 5.015 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.809 -4.735 3.304 1.00 0.00 C ATOM 0 H ILE A 12 -9.517 -7.808 5.444 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.724 -7.293 4.527 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.961 -5.505 5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.864 -5.498 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.015 -6.743 3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.510 -3.660 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.700 -4.608 6.039 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.251 -4.839 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.185 -4.752 2.281 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.614 -4.999 3.990 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.444 -3.735 3.540 1.00 0.00 H new ATOM 158 N PRO A 13 -5.843 -7.619 6.923 1.00 0.00 N ATOM 159 CA PRO A 13 -5.306 -7.700 8.290 1.00 0.00 C ATOM 160 C PRO A 13 -4.630 -6.399 8.713 1.00 0.00 C ATOM 161 O PRO A 13 -4.420 -5.499 7.926 1.00 0.00 O ATOM 162 CB PRO A 13 -4.291 -8.839 8.214 1.00 0.00 C ATOM 163 CG PRO A 13 -3.890 -8.977 6.725 1.00 0.00 C ATOM 164 CD PRO A 13 -4.944 -8.209 5.902 1.00 0.00 C ATOM 0 HA PRO A 13 -6.088 -7.871 9.030 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.419 -8.623 8.831 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.723 -9.768 8.586 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.894 -8.568 6.554 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.859 -10.026 6.429 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.483 -7.438 5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.487 -8.874 5.230 1.00 0.00 H new ATOM 172 N HIS A 14 -4.288 -6.310 9.967 1.00 0.00 N ATOM 173 CA HIS A 14 -3.625 -5.097 10.488 1.00 0.00 C ATOM 174 C HIS A 14 -2.196 -5.022 9.910 1.00 0.00 C ATOM 175 O HIS A 14 -1.584 -6.036 9.642 1.00 0.00 O ATOM 176 CB HIS A 14 -3.587 -5.218 12.015 1.00 0.00 C ATOM 177 CG HIS A 14 -4.976 -5.493 12.536 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.728 -4.530 13.197 1.00 0.00 N ATOM 179 CD2 HIS A 14 -5.759 -6.620 12.508 1.00 0.00 C ATOM 180 CE1 HIS A 14 -6.906 -5.094 13.533 1.00 0.00 C ATOM 181 NE2 HIS A 14 -6.975 -6.366 13.136 1.00 0.00 N ATOM 0 H HIS A 14 -4.445 -7.042 10.660 1.00 0.00 H new ATOM 0 HA HIS A 14 -4.159 -4.191 10.201 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.912 -6.021 12.309 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.199 -4.299 12.453 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.474 -7.563 12.065 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.697 -4.579 14.059 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.752 -7.014 13.265 1.00 0.00 H new ATOM 189 N ASN A 15 -1.656 -3.841 9.708 1.00 0.00 N ATOM 190 CA ASN A 15 -0.275 -3.742 9.144 1.00 0.00 C ATOM 191 C ASN A 15 -0.262 -4.245 7.693 1.00 0.00 C ATOM 192 O ASN A 15 0.374 -5.233 7.389 1.00 0.00 O ATOM 193 CB ASN A 15 0.678 -4.595 9.985 1.00 0.00 C ATOM 194 CG ASN A 15 1.976 -3.826 10.231 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.854 -3.807 9.391 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.136 -3.185 11.356 1.00 0.00 N ATOM 0 H ASN A 15 -2.110 -2.950 9.908 1.00 0.00 H new ATOM 0 HA ASN A 15 0.046 -2.700 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.210 -4.851 10.935 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.891 -5.533 9.472 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.998 -2.668 11.530 1.00 0.00 H new ATOM 0 HD22 ASN A 15 1.399 -3.201 12.061 1.00 0.00 H new ATOM 203 N PRO A 16 -0.975 -3.549 6.842 1.00 0.00 N ATOM 204 CA PRO A 16 -1.078 -3.898 5.411 1.00 0.00 C ATOM 205 C PRO A 16 0.147 -3.432 4.612 1.00 0.00 C ATOM 206 O PRO A 16 0.936 -2.625 5.062 1.00 0.00 O ATOM 207 CB PRO A 16 -2.316 -3.129 4.946 1.00 0.00 C ATOM 208 CG PRO A 16 -2.501 -1.958 5.942 1.00 0.00 C ATOM 209 CD PRO A 16 -1.756 -2.356 7.230 1.00 0.00 C ATOM 0 HA PRO A 16 -1.139 -4.976 5.261 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.184 -2.758 3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.194 -3.775 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.098 -1.032 5.531 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.558 -1.784 6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.108 -1.552 7.580 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.451 -2.581 8.039 1.00 0.00 H new ATOM 217 N LEU A 17 0.275 -3.932 3.409 1.00 0.00 N ATOM 218 CA LEU A 17 1.406 -3.545 2.511 1.00 0.00 C ATOM 219 C LEU A 17 2.681 -3.255 3.305 1.00 0.00 C ATOM 220 O LEU A 17 3.353 -2.270 3.069 1.00 0.00 O ATOM 221 CB LEU A 17 1.011 -2.299 1.716 1.00 0.00 C ATOM 222 CG LEU A 17 0.630 -2.704 0.291 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.889 -2.841 0.185 1.00 0.00 C ATOM 224 CD2 LEU A 17 1.114 -1.634 -0.690 1.00 0.00 C ATOM 0 H LEU A 17 -0.372 -4.608 3.003 1.00 0.00 H new ATOM 0 HA LEU A 17 1.609 -4.379 1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.173 -1.797 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.839 -1.590 1.695 1.00 0.00 H new ATOM 0 HG LEU A 17 1.097 -3.659 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.158 -3.130 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.235 -3.604 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.358 -1.888 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.843 -1.922 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.647 -0.679 -0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.197 -1.537 -0.617 1.00 0.00 H new ATOM 236 N ASP A 18 3.037 -4.104 4.223 1.00 0.00 N ATOM 237 CA ASP A 18 4.291 -3.862 4.999 1.00 0.00 C ATOM 238 C ASP A 18 5.497 -4.186 4.111 1.00 0.00 C ATOM 239 O ASP A 18 6.535 -3.534 4.169 1.00 0.00 O ATOM 240 CB ASP A 18 4.309 -4.753 6.244 1.00 0.00 C ATOM 241 CG ASP A 18 4.295 -6.222 5.819 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.350 -6.731 5.480 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.228 -6.814 5.840 1.00 0.00 O ATOM 0 H ASP A 18 2.523 -4.949 4.472 1.00 0.00 H new ATOM 0 HA ASP A 18 4.335 -2.819 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.197 -4.544 6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.445 -4.537 6.872 1.00 0.00 H new ATOM 248 N SER A 19 5.359 -5.173 3.270 1.00 0.00 N ATOM 249 CA SER A 19 6.474 -5.539 2.361 1.00 0.00 C ATOM 250 C SER A 19 6.744 -4.352 1.454 1.00 0.00 C ATOM 251 O SER A 19 7.869 -3.983 1.203 1.00 0.00 O ATOM 252 CB SER A 19 6.056 -6.747 1.521 1.00 0.00 C ATOM 253 OG SER A 19 6.130 -6.423 0.138 1.00 0.00 O ATOM 0 H SER A 19 4.518 -5.742 3.175 1.00 0.00 H new ATOM 0 HA SER A 19 7.371 -5.792 2.927 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.704 -7.595 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.040 -7.047 1.779 1.00 0.00 H new ATOM 0 HG SER A 19 5.323 -5.935 -0.127 1.00 0.00 H new ATOM 259 N CYS A 20 5.700 -3.763 0.968 1.00 0.00 N ATOM 260 CA CYS A 20 5.839 -2.584 0.072 1.00 0.00 C ATOM 261 C CYS A 20 6.571 -1.463 0.806 1.00 0.00 C ATOM 262 O CYS A 20 7.402 -0.776 0.244 1.00 0.00 O ATOM 263 CB CYS A 20 4.451 -2.116 -0.340 1.00 0.00 C ATOM 264 SG CYS A 20 3.541 -3.536 -0.982 1.00 0.00 S ATOM 0 H CYS A 20 4.739 -4.049 1.153 1.00 0.00 H new ATOM 0 HA CYS A 20 6.413 -2.856 -0.814 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.928 -1.684 0.513 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.523 -1.337 -1.099 1.00 0.00 H new ATOM 269 N ARG A 21 6.270 -1.274 2.060 1.00 0.00 N ATOM 270 CA ARG A 21 6.946 -0.200 2.831 1.00 0.00 C ATOM 271 C ARG A 21 8.466 -0.443 2.798 1.00 0.00 C ATOM 272 O ARG A 21 9.247 0.437 2.455 1.00 0.00 O ATOM 273 CB ARG A 21 6.390 -0.191 4.276 1.00 0.00 C ATOM 274 CG ARG A 21 7.493 -0.410 5.325 1.00 0.00 C ATOM 275 CD ARG A 21 8.451 0.784 5.324 1.00 0.00 C ATOM 276 NE ARG A 21 8.884 1.075 6.718 1.00 0.00 N ATOM 277 CZ ARG A 21 9.368 2.249 7.022 1.00 0.00 C ATOM 278 NH1 ARG A 21 9.588 3.131 6.083 1.00 0.00 N ATOM 279 NH2 ARG A 21 9.636 2.541 8.266 1.00 0.00 N ATOM 0 H ARG A 21 5.584 -1.819 2.583 1.00 0.00 H new ATOM 0 HA ARG A 21 6.753 0.779 2.392 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.894 0.761 4.466 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.635 -0.970 4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.049 -0.532 6.313 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.040 -1.327 5.106 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.318 0.567 4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.960 1.657 4.895 1.00 0.00 H new ATOM 0 HE ARG A 21 8.803 0.356 7.437 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.382 2.903 5.111 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.966 4.048 6.323 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.467 1.852 8.999 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.014 3.458 8.505 1.00 0.00 H new ATOM 293 N TRP A 22 8.898 -1.627 3.145 1.00 0.00 N ATOM 294 CA TRP A 22 10.371 -1.886 3.124 1.00 0.00 C ATOM 295 C TRP A 22 10.893 -1.897 1.688 1.00 0.00 C ATOM 296 O TRP A 22 12.048 -1.608 1.438 1.00 0.00 O ATOM 297 CB TRP A 22 10.725 -3.201 3.820 1.00 0.00 C ATOM 298 CG TRP A 22 10.774 -2.936 5.275 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.040 -3.541 6.219 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.605 -1.977 5.944 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.375 -2.999 7.455 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.347 -2.020 7.327 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.550 -1.083 5.461 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.025 -1.182 8.214 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.241 -0.234 6.339 1.00 0.00 C ATOM 306 CH2 TRP A 22 12.977 -0.282 7.717 1.00 0.00 C ATOM 0 H TRP A 22 8.312 -2.410 3.436 1.00 0.00 H new ATOM 0 HA TRP A 22 10.851 -1.076 3.673 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.982 -3.966 3.595 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.686 -3.575 3.466 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.311 -4.319 6.048 1.00 0.00 H new ATOM 0 HE1 TRP A 22 9.959 -3.285 8.341 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.755 -1.040 4.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 11.818 -1.227 9.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 13.977 0.457 5.954 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.507 0.373 8.393 1.00 0.00 H new ATOM 317 N TYR A 23 10.060 -2.214 0.735 1.00 0.00 N ATOM 318 CA TYR A 23 10.536 -2.223 -0.674 1.00 0.00 C ATOM 319 C TYR A 23 10.862 -0.795 -1.085 1.00 0.00 C ATOM 320 O TYR A 23 11.777 -0.558 -1.845 1.00 0.00 O ATOM 321 CB TYR A 23 9.466 -2.808 -1.594 1.00 0.00 C ATOM 322 CG TYR A 23 9.966 -2.807 -3.020 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.260 -3.260 -3.308 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.137 -2.356 -4.055 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.723 -3.263 -4.629 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.601 -2.359 -5.376 1.00 0.00 C ATOM 327 CZ TYR A 23 10.895 -2.812 -5.664 1.00 0.00 C ATOM 328 OH TYR A 23 11.354 -2.815 -6.965 1.00 0.00 O ATOM 0 H TYR A 23 9.081 -2.465 0.870 1.00 0.00 H new ATOM 0 HA TYR A 23 11.428 -2.844 -0.757 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.222 -3.824 -1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.549 -2.223 -1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.900 -3.607 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.140 -2.006 -3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.720 -3.614 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.961 -2.012 -6.174 1.00 0.00 H new ATOM 0 HH TYR A 23 10.654 -2.472 -7.559 1.00 0.00 H new ATOM 338 N VAL A 24 10.150 0.172 -0.566 1.00 0.00 N ATOM 339 CA VAL A 24 10.487 1.572 -0.925 1.00 0.00 C ATOM 340 C VAL A 24 11.776 1.926 -0.211 1.00 0.00 C ATOM 341 O VAL A 24 12.646 2.546 -0.768 1.00 0.00 O ATOM 342 CB VAL A 24 9.408 2.551 -0.473 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.904 3.978 -0.739 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.115 2.295 -1.252 1.00 0.00 C ATOM 0 H VAL A 24 9.367 0.053 0.077 1.00 0.00 H new ATOM 0 HA VAL A 24 10.577 1.645 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 24 9.206 2.419 0.590 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.144 4.692 -0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.823 4.154 -0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.097 4.103 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.348 2.997 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.300 2.430 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.776 1.276 -1.069 1.00 0.00 H new ATOM 354 N SER A 25 11.901 1.535 1.030 1.00 0.00 N ATOM 355 CA SER A 25 13.148 1.860 1.782 1.00 0.00 C ATOM 356 C SER A 25 14.377 1.352 1.010 1.00 0.00 C ATOM 357 O SER A 25 15.404 2.001 0.967 1.00 0.00 O ATOM 358 CB SER A 25 13.114 1.194 3.158 1.00 0.00 C ATOM 359 OG SER A 25 11.788 0.777 3.452 1.00 0.00 O ATOM 0 H SER A 25 11.200 1.009 1.552 1.00 0.00 H new ATOM 0 HA SER A 25 13.213 2.942 1.899 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.788 0.337 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.464 1.891 3.919 1.00 0.00 H new ATOM 0 HG SER A 25 11.735 0.491 4.388 1.00 0.00 H new ATOM 365 N THR A 26 14.287 0.185 0.422 1.00 0.00 N ATOM 366 CA THR A 26 15.460 -0.380 -0.321 1.00 0.00 C ATOM 367 C THR A 26 15.622 0.290 -1.692 1.00 0.00 C ATOM 368 O THR A 26 16.685 0.764 -2.033 1.00 0.00 O ATOM 369 CB THR A 26 15.255 -1.892 -0.505 1.00 0.00 C ATOM 370 OG1 THR A 26 15.525 -2.553 0.724 1.00 0.00 O ATOM 371 CG2 THR A 26 16.199 -2.426 -1.588 1.00 0.00 C ATOM 0 H THR A 26 13.453 -0.402 0.423 1.00 0.00 H new ATOM 0 HA THR A 26 16.365 -0.190 0.257 1.00 0.00 H new ATOM 0 HB THR A 26 14.225 -2.079 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.484 -1.906 1.459 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.044 -3.498 -1.709 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.993 -1.921 -2.532 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.232 -2.239 -1.295 1.00 0.00 H new ATOM 379 N ARG A 27 14.596 0.313 -2.486 1.00 0.00 N ATOM 380 CA ARG A 27 14.713 0.936 -3.837 1.00 0.00 C ATOM 381 C ARG A 27 15.110 2.411 -3.707 1.00 0.00 C ATOM 382 O ARG A 27 15.650 2.998 -4.623 1.00 0.00 O ATOM 383 CB ARG A 27 13.372 0.829 -4.568 1.00 0.00 C ATOM 384 CG ARG A 27 13.492 1.461 -5.954 1.00 0.00 C ATOM 385 CD ARG A 27 12.203 1.212 -6.742 1.00 0.00 C ATOM 386 NE ARG A 27 12.468 0.236 -7.836 1.00 0.00 N ATOM 387 CZ ARG A 27 11.833 0.340 -8.972 1.00 0.00 C ATOM 388 NH1 ARG A 27 10.579 0.701 -8.988 1.00 0.00 N ATOM 389 NH2 ARG A 27 12.451 0.084 -10.092 1.00 0.00 N ATOM 0 H ARG A 27 13.678 -0.072 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 27 15.482 0.411 -4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.078 -0.217 -4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.593 1.331 -3.995 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.674 2.532 -5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.344 1.037 -6.486 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.427 0.829 -6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.832 2.149 -7.158 1.00 0.00 H new ATOM 0 HE ARG A 27 13.146 -0.514 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.095 0.902 -8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.083 0.782 -9.876 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.431 -0.198 -10.081 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.954 0.166 -10.979 1.00 0.00 H new ATOM 403 N THR A 28 14.819 3.021 -2.593 1.00 0.00 N ATOM 404 CA THR A 28 15.147 4.468 -2.425 1.00 0.00 C ATOM 405 C THR A 28 16.530 4.660 -1.762 1.00 0.00 C ATOM 406 O THR A 28 17.451 5.150 -2.384 1.00 0.00 O ATOM 407 CB THR A 28 14.043 5.131 -1.585 1.00 0.00 C ATOM 408 OG1 THR A 28 13.984 4.532 -0.300 1.00 0.00 O ATOM 409 CG2 THR A 28 12.698 4.951 -2.291 1.00 0.00 C ATOM 0 H THR A 28 14.368 2.582 -1.790 1.00 0.00 H new ATOM 0 HA THR A 28 15.196 4.939 -3.407 1.00 0.00 H new ATOM 0 HB THR A 28 14.265 6.192 -1.473 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.918 5.231 0.384 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.911 5.419 -1.700 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.738 5.417 -3.275 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.485 3.888 -2.402 1.00 0.00 H new ATOM 417 N CYS A 29 16.690 4.296 -0.512 1.00 0.00 N ATOM 418 CA CYS A 29 18.011 4.477 0.163 1.00 0.00 C ATOM 419 C CYS A 29 18.781 3.157 0.173 1.00 0.00 C ATOM 420 O CYS A 29 19.708 2.974 0.937 1.00 0.00 O ATOM 421 CB CYS A 29 17.781 4.942 1.603 1.00 0.00 C ATOM 422 SG CYS A 29 17.055 6.593 1.588 1.00 0.00 S ATOM 0 H CYS A 29 15.961 3.881 0.069 1.00 0.00 H new ATOM 0 HA CYS A 29 18.592 5.223 -0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.120 4.247 2.121 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.724 4.952 2.149 1.00 0.00 H new ATOM 427 N GLY A 30 18.403 2.236 -0.661 1.00 0.00 N ATOM 428 CA GLY A 30 19.114 0.922 -0.692 1.00 0.00 C ATOM 429 C GLY A 30 19.057 0.271 0.696 1.00 0.00 C ATOM 430 O GLY A 30 19.791 -0.653 0.987 1.00 0.00 O ATOM 0 H GLY A 30 17.634 2.330 -1.324 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.654 0.266 -1.431 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.151 1.066 -0.995 1.00 0.00 H new ATOM 434 N VAL A 31 18.191 0.743 1.555 1.00 0.00 N ATOM 435 CA VAL A 31 18.088 0.146 2.921 1.00 0.00 C ATOM 436 C VAL A 31 16.870 -0.778 2.978 1.00 0.00 C ATOM 437 O VAL A 31 15.925 -0.616 2.234 1.00 0.00 O ATOM 438 CB VAL A 31 17.931 1.261 3.956 1.00 0.00 C ATOM 439 CG1 VAL A 31 17.679 0.645 5.333 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.212 2.098 3.998 1.00 0.00 C ATOM 0 H VAL A 31 17.551 1.515 1.370 1.00 0.00 H new ATOM 0 HA VAL A 31 18.991 -0.425 3.139 1.00 0.00 H new ATOM 0 HB VAL A 31 17.089 1.897 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.567 1.439 6.072 1.00 0.00 H new ATOM 0 HG12 VAL A 31 16.769 0.046 5.303 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.522 0.010 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.103 2.894 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.053 1.462 4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.393 2.535 3.016 1.00 0.00 H new ATOM 450 N GLY A 32 16.877 -1.751 3.849 1.00 0.00 N ATOM 451 CA GLY A 32 15.714 -2.674 3.924 1.00 0.00 C ATOM 452 C GLY A 32 16.225 -4.101 4.209 1.00 0.00 C ATOM 453 O GLY A 32 17.421 -4.289 4.301 1.00 0.00 O ATOM 0 H GLY A 32 17.633 -1.944 4.506 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.030 -2.355 4.710 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.156 -2.654 2.988 1.00 0.00 H new ATOM 457 N PRO A 33 15.341 -5.091 4.332 1.00 0.00 N ATOM 458 CA PRO A 33 15.795 -6.475 4.588 1.00 0.00 C ATOM 459 C PRO A 33 16.571 -7.004 3.371 1.00 0.00 C ATOM 460 O PRO A 33 16.719 -6.313 2.383 1.00 0.00 O ATOM 461 CB PRO A 33 14.490 -7.247 4.856 1.00 0.00 C ATOM 462 CG PRO A 33 13.359 -6.415 4.228 1.00 0.00 C ATOM 463 CD PRO A 33 13.854 -4.961 4.222 1.00 0.00 C ATOM 0 HA PRO A 33 16.484 -6.571 5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.530 -8.243 4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.328 -7.378 5.926 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.139 -6.756 3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.438 -6.511 4.804 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.564 -4.443 3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.439 -4.393 5.055 1.00 0.00 H new ATOM 471 N ARG A 34 17.102 -8.201 3.437 1.00 0.00 N ATOM 472 CA ARG A 34 17.894 -8.719 2.287 1.00 0.00 C ATOM 473 C ARG A 34 16.987 -9.490 1.327 1.00 0.00 C ATOM 474 O ARG A 34 16.924 -10.703 1.343 1.00 0.00 O ATOM 475 CB ARG A 34 18.988 -9.653 2.811 1.00 0.00 C ATOM 476 CG ARG A 34 18.347 -10.803 3.593 1.00 0.00 C ATOM 477 CD ARG A 34 18.604 -10.611 5.090 1.00 0.00 C ATOM 478 NE ARG A 34 17.357 -10.913 5.851 1.00 0.00 N ATOM 479 CZ ARG A 34 17.038 -12.151 6.116 1.00 0.00 C ATOM 480 NH1 ARG A 34 17.667 -12.800 7.058 1.00 0.00 N ATOM 481 NH2 ARG A 34 16.088 -12.739 5.442 1.00 0.00 N ATOM 0 H ARG A 34 17.020 -8.834 4.232 1.00 0.00 H new ATOM 0 HA ARG A 34 18.343 -7.880 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.574 -10.046 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.675 -9.101 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 34 17.275 -10.835 3.399 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.760 -11.756 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 34 19.411 -11.266 5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 34 18.924 -9.588 5.287 1.00 0.00 H new ATOM 0 HE ARG A 34 16.754 -10.153 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 34 18.408 -12.340 7.587 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.418 -13.767 7.265 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.594 -12.231 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.839 -13.706 5.649 1.00 0.00 H new ATOM 495 N LEU A 35 16.297 -8.780 0.476 1.00 0.00 N ATOM 496 CA LEU A 35 15.401 -9.441 -0.512 1.00 0.00 C ATOM 497 C LEU A 35 15.560 -8.738 -1.863 1.00 0.00 C ATOM 498 O LEU A 35 15.461 -7.531 -1.958 1.00 0.00 O ATOM 499 CB LEU A 35 13.949 -9.331 -0.045 1.00 0.00 C ATOM 500 CG LEU A 35 13.039 -10.048 -1.043 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.572 -11.459 -1.294 1.00 0.00 C ATOM 502 CD2 LEU A 35 11.622 -10.133 -0.471 1.00 0.00 C ATOM 0 H LEU A 35 16.317 -7.762 0.424 1.00 0.00 H new ATOM 0 HA LEU A 35 15.664 -10.495 -0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.840 -9.772 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.661 -8.283 0.039 1.00 0.00 H new ATOM 0 HG LEU A 35 13.020 -9.494 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.924 -11.971 -2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.582 -11.400 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.590 -12.013 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.973 -10.644 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.641 -10.688 0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.242 -9.128 -0.290 1.00 0.00 H new ATOM 514 N ALA A 36 15.816 -9.477 -2.908 1.00 0.00 N ATOM 515 CA ALA A 36 15.993 -8.837 -4.242 1.00 0.00 C ATOM 516 C ALA A 36 14.788 -7.941 -4.548 1.00 0.00 C ATOM 517 O ALA A 36 13.740 -8.069 -3.948 1.00 0.00 O ATOM 518 CB ALA A 36 16.113 -9.917 -5.318 1.00 0.00 C ATOM 0 H ALA A 36 15.910 -10.493 -2.896 1.00 0.00 H new ATOM 0 HA ALA A 36 16.900 -8.232 -4.233 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.242 -9.447 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.974 -10.550 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.208 -10.525 -5.326 1.00 0.00 H new ATOM 524 N THR A 37 14.928 -7.032 -5.477 1.00 0.00 N ATOM 525 CA THR A 37 13.793 -6.128 -5.818 1.00 0.00 C ATOM 526 C THR A 37 12.672 -6.925 -6.481 1.00 0.00 C ATOM 527 O THR A 37 11.575 -6.994 -5.975 1.00 0.00 O ATOM 528 CB THR A 37 14.280 -5.042 -6.778 1.00 0.00 C ATOM 529 OG1 THR A 37 15.258 -5.590 -7.652 1.00 0.00 O ATOM 530 CG2 THR A 37 14.894 -3.890 -5.983 1.00 0.00 C ATOM 0 H THR A 37 15.781 -6.877 -6.014 1.00 0.00 H new ATOM 0 HA THR A 37 13.414 -5.670 -4.905 1.00 0.00 H new ATOM 0 HB THR A 37 13.438 -4.668 -7.360 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.570 -4.896 -8.269 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.240 -3.118 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.144 -3.470 -5.313 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.736 -4.260 -5.398 1.00 0.00 H new ATOM 538 N GLN A 38 12.929 -7.521 -7.612 1.00 0.00 N ATOM 539 CA GLN A 38 11.856 -8.298 -8.299 1.00 0.00 C ATOM 540 C GLN A 38 11.101 -9.152 -7.277 1.00 0.00 C ATOM 541 O GLN A 38 9.900 -9.045 -7.132 1.00 0.00 O ATOM 542 CB GLN A 38 12.475 -9.205 -9.363 1.00 0.00 C ATOM 543 CG GLN A 38 11.490 -9.369 -10.522 1.00 0.00 C ATOM 544 CD GLN A 38 11.308 -10.855 -10.834 1.00 0.00 C ATOM 545 OE1 GLN A 38 12.118 -11.673 -10.448 1.00 0.00 O ATOM 546 NE2 GLN A 38 10.268 -11.240 -11.523 1.00 0.00 N ATOM 0 H GLN A 38 13.830 -7.505 -8.089 1.00 0.00 H new ATOM 0 HA GLN A 38 11.162 -7.605 -8.774 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.410 -8.777 -9.723 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.715 -10.178 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.531 -8.921 -10.263 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.859 -8.845 -11.403 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.588 -10.552 -11.847 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.136 -12.228 -11.737 1.00 0.00 H new ATOM 555 N GLU A 39 11.795 -9.997 -6.568 1.00 0.00 N ATOM 556 CA GLU A 39 11.116 -10.858 -5.558 1.00 0.00 C ATOM 557 C GLU A 39 10.210 -9.998 -4.672 1.00 0.00 C ATOM 558 O GLU A 39 9.087 -10.362 -4.369 1.00 0.00 O ATOM 559 CB GLU A 39 12.172 -11.545 -4.689 1.00 0.00 C ATOM 560 CG GLU A 39 13.039 -12.452 -5.563 1.00 0.00 C ATOM 561 CD GLU A 39 12.201 -13.624 -6.076 1.00 0.00 C ATOM 562 OE1 GLU A 39 11.108 -13.812 -5.567 1.00 0.00 O ATOM 563 OE2 GLU A 39 12.665 -14.312 -6.970 1.00 0.00 O ATOM 0 H GLU A 39 12.804 -10.129 -6.644 1.00 0.00 H new ATOM 0 HA GLU A 39 10.513 -11.609 -6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.792 -10.798 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.690 -12.130 -3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.444 -11.886 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.888 -12.823 -4.989 1.00 0.00 H new ATOM 570 N MET A 40 10.688 -8.860 -4.252 1.00 0.00 N ATOM 571 CA MET A 40 9.856 -7.984 -3.387 1.00 0.00 C ATOM 572 C MET A 40 8.581 -7.643 -4.157 1.00 0.00 C ATOM 573 O MET A 40 7.485 -7.990 -3.760 1.00 0.00 O ATOM 574 CB MET A 40 10.628 -6.701 -3.081 1.00 0.00 C ATOM 575 CG MET A 40 10.128 -6.083 -1.769 1.00 0.00 C ATOM 576 SD MET A 40 8.316 -6.047 -1.730 1.00 0.00 S ATOM 577 CE MET A 40 8.078 -4.930 -3.134 1.00 0.00 C ATOM 0 H MET A 40 11.617 -8.501 -4.471 1.00 0.00 H new ATOM 0 HA MET A 40 9.612 -8.484 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.694 -6.918 -3.007 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.504 -5.990 -3.897 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.504 -6.659 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.519 -5.071 -1.665 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.865 -3.926 -2.768 1.00 0.00 H new ATOM 0 HE2 MET A 40 8.983 -4.911 -3.741 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.242 -5.280 -3.740 1.00 0.00 H new ATOM 587 N LYS A 41 8.726 -6.965 -5.262 1.00 0.00 N ATOM 588 CA LYS A 41 7.537 -6.599 -6.082 1.00 0.00 C ATOM 589 C LYS A 41 6.571 -7.787 -6.112 1.00 0.00 C ATOM 590 O LYS A 41 5.366 -7.627 -6.179 1.00 0.00 O ATOM 591 CB LYS A 41 7.985 -6.269 -7.508 1.00 0.00 C ATOM 592 CG LYS A 41 6.806 -5.697 -8.295 1.00 0.00 C ATOM 593 CD LYS A 41 7.127 -5.724 -9.791 1.00 0.00 C ATOM 594 CE LYS A 41 6.479 -4.516 -10.472 1.00 0.00 C ATOM 595 NZ LYS A 41 7.299 -4.110 -11.650 1.00 0.00 N ATOM 0 H LYS A 41 9.621 -6.647 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 41 7.041 -5.730 -5.650 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.804 -5.550 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.362 -7.166 -7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.906 -6.278 -8.095 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.603 -4.675 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.206 -5.705 -9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.758 -6.648 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.466 -4.764 -10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.399 -3.688 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.859 -3.289 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.258 -3.857 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.353 -4.900 -12.324 1.00 0.00 H new ATOM 609 N ALA A 42 7.101 -8.980 -6.054 1.00 0.00 N ATOM 610 CA ALA A 42 6.235 -10.190 -6.070 1.00 0.00 C ATOM 611 C ALA A 42 5.435 -10.269 -4.767 1.00 0.00 C ATOM 612 O ALA A 42 4.230 -10.436 -4.781 1.00 0.00 O ATOM 613 CB ALA A 42 7.106 -11.442 -6.208 1.00 0.00 C ATOM 0 H ALA A 42 8.102 -9.167 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 42 5.548 -10.129 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.471 -12.328 -6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.673 -11.390 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.795 -11.501 -5.365 1.00 0.00 H new ATOM 619 N ARG A 43 6.091 -10.162 -3.639 1.00 0.00 N ATOM 620 CA ARG A 43 5.341 -10.244 -2.349 1.00 0.00 C ATOM 621 C ARG A 43 4.281 -9.137 -2.294 1.00 0.00 C ATOM 622 O ARG A 43 3.169 -9.363 -1.859 1.00 0.00 O ATOM 623 CB ARG A 43 6.296 -10.105 -1.158 1.00 0.00 C ATOM 624 CG ARG A 43 7.305 -8.987 -1.420 1.00 0.00 C ATOM 625 CD ARG A 43 8.097 -8.661 -0.141 1.00 0.00 C ATOM 626 NE ARG A 43 7.685 -9.559 0.979 1.00 0.00 N ATOM 627 CZ ARG A 43 8.580 -10.274 1.602 1.00 0.00 C ATOM 628 NH1 ARG A 43 9.386 -11.045 0.923 1.00 0.00 N ATOM 629 NH2 ARG A 43 8.670 -10.217 2.902 1.00 0.00 N ATOM 0 H ARG A 43 7.098 -10.024 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 43 4.854 -11.218 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.730 -9.889 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.820 -11.046 -0.990 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.991 -9.287 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.785 -8.095 -1.769 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.165 -8.774 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.931 -7.621 0.140 1.00 0.00 H new ATOM 0 HE ARG A 43 6.705 -9.613 1.256 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.315 -11.087 -0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.086 -11.605 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.040 -9.613 3.431 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.370 -10.776 3.390 1.00 0.00 H new ATOM 643 N CYS A 44 4.602 -7.946 -2.732 1.00 0.00 N ATOM 644 CA CYS A 44 3.580 -6.856 -2.692 1.00 0.00 C ATOM 645 C CYS A 44 2.414 -7.178 -3.627 1.00 0.00 C ATOM 646 O CYS A 44 1.282 -6.861 -3.333 1.00 0.00 O ATOM 647 CB CYS A 44 4.181 -5.524 -3.123 1.00 0.00 C ATOM 648 SG CYS A 44 4.985 -4.754 -1.710 1.00 0.00 S ATOM 0 H CYS A 44 5.512 -7.683 -3.110 1.00 0.00 H new ATOM 0 HA CYS A 44 3.228 -6.783 -1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.901 -5.679 -3.926 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.402 -4.870 -3.515 1.00 0.00 H new ATOM 653 N CYS A 45 2.666 -7.791 -4.759 1.00 0.00 N ATOM 654 CA CYS A 45 1.535 -8.101 -5.681 1.00 0.00 C ATOM 655 C CYS A 45 0.669 -9.193 -5.054 1.00 0.00 C ATOM 656 O CYS A 45 -0.533 -9.224 -5.237 1.00 0.00 O ATOM 657 CB CYS A 45 2.067 -8.575 -7.041 1.00 0.00 C ATOM 658 SG CYS A 45 2.557 -7.161 -8.078 1.00 0.00 S ATOM 0 H CYS A 45 3.589 -8.084 -5.078 1.00 0.00 H new ATOM 0 HA CYS A 45 0.941 -7.201 -5.838 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.922 -9.234 -6.891 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.301 -9.158 -7.552 1.00 0.00 H new ATOM 663 N ARG A 46 1.260 -10.081 -4.301 1.00 0.00 N ATOM 664 CA ARG A 46 0.452 -11.150 -3.658 1.00 0.00 C ATOM 665 C ARG A 46 -0.372 -10.516 -2.539 1.00 0.00 C ATOM 666 O ARG A 46 -1.479 -10.930 -2.248 1.00 0.00 O ATOM 667 CB ARG A 46 1.383 -12.209 -3.070 1.00 0.00 C ATOM 668 CG ARG A 46 0.624 -13.528 -2.918 1.00 0.00 C ATOM 669 CD ARG A 46 0.613 -13.943 -1.445 1.00 0.00 C ATOM 670 NE ARG A 46 -0.604 -14.757 -1.165 1.00 0.00 N ATOM 671 CZ ARG A 46 -0.697 -15.973 -1.629 1.00 0.00 C ATOM 672 NH1 ARG A 46 0.292 -16.808 -1.474 1.00 0.00 N ATOM 673 NH2 ARG A 46 -1.781 -16.354 -2.249 1.00 0.00 N ATOM 0 H ARG A 46 2.261 -10.111 -4.106 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.204 -11.621 -4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.248 -12.348 -3.718 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.759 -11.880 -2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.397 -13.417 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.096 -14.303 -3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.509 -14.518 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.626 -13.059 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.364 -14.363 -0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.139 -16.511 -0.990 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.219 -17.758 -1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.555 -15.701 -2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.854 -17.305 -2.612 1.00 0.00 H new ATOM 687 N GLN A 47 0.168 -9.505 -1.915 1.00 0.00 N ATOM 688 CA GLN A 47 -0.565 -8.824 -0.812 1.00 0.00 C ATOM 689 C GLN A 47 -1.638 -7.903 -1.399 1.00 0.00 C ATOM 690 O GLN A 47 -2.665 -7.666 -0.791 1.00 0.00 O ATOM 691 CB GLN A 47 0.423 -8.003 0.019 1.00 0.00 C ATOM 692 CG GLN A 47 1.679 -8.838 0.285 1.00 0.00 C ATOM 693 CD GLN A 47 1.873 -9.002 1.793 1.00 0.00 C ATOM 694 OE1 GLN A 47 1.898 -10.107 2.297 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.014 -7.942 2.538 1.00 0.00 N ATOM 0 H GLN A 47 1.089 -9.120 -2.123 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.043 -9.569 -0.176 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.687 -7.087 -0.510 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.036 -7.706 0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.586 -9.815 -0.189 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.551 -8.353 -0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.993 -7.014 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.145 -8.040 3.545 1.00 0.00 H new ATOM 704 N LEU A 48 -1.418 -7.388 -2.578 1.00 0.00 N ATOM 705 CA LEU A 48 -2.430 -6.494 -3.200 1.00 0.00 C ATOM 706 C LEU A 48 -3.591 -7.349 -3.700 1.00 0.00 C ATOM 707 O LEU A 48 -4.742 -6.974 -3.588 1.00 0.00 O ATOM 708 CB LEU A 48 -1.802 -5.733 -4.372 1.00 0.00 C ATOM 709 CG LEU A 48 -2.740 -4.608 -4.809 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.009 -3.267 -4.717 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.184 -4.847 -6.253 1.00 0.00 C ATOM 0 H LEU A 48 -0.580 -7.549 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.789 -5.771 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.836 -5.322 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.619 -6.412 -5.204 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.613 -4.591 -4.157 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.679 -2.465 -5.029 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.692 -3.095 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.135 -3.284 -5.368 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.853 -4.045 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.310 -4.865 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.706 -5.802 -6.320 1.00 0.00 H new ATOM 723 N GLU A 49 -3.303 -8.506 -4.234 1.00 0.00 N ATOM 724 CA GLU A 49 -4.401 -9.383 -4.713 1.00 0.00 C ATOM 725 C GLU A 49 -5.167 -9.892 -3.496 1.00 0.00 C ATOM 726 O GLU A 49 -6.368 -9.735 -3.402 1.00 0.00 O ATOM 727 CB GLU A 49 -3.821 -10.563 -5.499 1.00 0.00 C ATOM 728 CG GLU A 49 -4.434 -10.589 -6.900 1.00 0.00 C ATOM 729 CD GLU A 49 -3.778 -11.698 -7.726 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.003 -12.856 -7.411 1.00 0.00 O ATOM 731 OE2 GLU A 49 -3.062 -11.370 -8.657 1.00 0.00 O ATOM 0 H GLU A 49 -2.361 -8.877 -4.357 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.069 -8.827 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.737 -10.472 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.031 -11.498 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.509 -10.758 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.292 -9.625 -7.388 1.00 0.00 H new ATOM 738 N ALA A 50 -4.482 -10.472 -2.541 1.00 0.00 N ATOM 739 CA ALA A 50 -5.192 -10.946 -1.318 1.00 0.00 C ATOM 740 C ALA A 50 -6.095 -9.806 -0.858 1.00 0.00 C ATOM 741 O ALA A 50 -7.290 -9.958 -0.710 1.00 0.00 O ATOM 742 CB ALA A 50 -4.176 -11.279 -0.223 1.00 0.00 C ATOM 0 H ALA A 50 -3.475 -10.635 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.773 -11.844 -1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.701 -11.625 0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.505 -12.062 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.598 -10.388 0.020 1.00 0.00 H new ATOM 748 N ILE A 51 -5.521 -8.647 -0.692 1.00 0.00 N ATOM 749 CA ILE A 51 -6.313 -7.450 -0.309 1.00 0.00 C ATOM 750 C ILE A 51 -7.372 -7.238 -1.397 1.00 0.00 C ATOM 751 O ILE A 51 -7.042 -6.847 -2.499 1.00 0.00 O ATOM 752 CB ILE A 51 -5.386 -6.234 -0.236 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.439 -6.388 0.956 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.211 -4.960 -0.065 1.00 0.00 C ATOM 755 CD1 ILE A 51 -5.243 -6.350 2.258 1.00 0.00 C ATOM 0 H ILE A 51 -4.522 -8.479 -0.808 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.787 -7.584 0.664 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.810 -6.167 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.893 -7.329 0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.698 -5.588 0.951 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.544 -4.099 -0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.886 -4.847 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.793 -5.024 0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.567 -6.460 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.768 -5.398 2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.967 -7.165 2.263 1.00 0.00 H new ATOM 767 N PRO A 52 -8.604 -7.553 -1.088 1.00 0.00 N ATOM 768 CA PRO A 52 -9.701 -7.457 -2.067 1.00 0.00 C ATOM 769 C PRO A 52 -9.930 -6.013 -2.513 1.00 0.00 C ATOM 770 O PRO A 52 -9.919 -5.091 -1.721 1.00 0.00 O ATOM 771 CB PRO A 52 -10.906 -8.047 -1.328 1.00 0.00 C ATOM 772 CG PRO A 52 -10.571 -7.963 0.177 1.00 0.00 C ATOM 773 CD PRO A 52 -9.033 -7.973 0.264 1.00 0.00 C ATOM 0 HA PRO A 52 -9.493 -7.993 -2.993 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.814 -7.489 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.081 -9.079 -1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.982 -7.056 0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -10.999 -8.805 0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -8.671 -7.288 1.030 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.652 -8.963 0.516 1.00 0.00 H new ATOM 781 N ALA A 53 -10.114 -5.828 -3.797 1.00 0.00 N ATOM 782 CA ALA A 53 -10.326 -4.465 -4.367 1.00 0.00 C ATOM 783 C ALA A 53 -11.096 -3.581 -3.387 1.00 0.00 C ATOM 784 O ALA A 53 -10.845 -2.398 -3.282 1.00 0.00 O ATOM 785 CB ALA A 53 -11.113 -4.588 -5.672 1.00 0.00 C ATOM 0 H ALA A 53 -10.126 -6.580 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.356 -4.005 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.273 -3.596 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.552 -5.199 -6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.077 -5.057 -5.473 1.00 0.00 H new ATOM 791 N TYR A 54 -12.027 -4.137 -2.663 1.00 0.00 N ATOM 792 CA TYR A 54 -12.792 -3.308 -1.693 1.00 0.00 C ATOM 793 C TYR A 54 -11.850 -2.867 -0.571 1.00 0.00 C ATOM 794 O TYR A 54 -11.312 -3.680 0.154 1.00 0.00 O ATOM 795 CB TYR A 54 -13.947 -4.127 -1.114 1.00 0.00 C ATOM 796 CG TYR A 54 -15.229 -3.739 -1.811 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.962 -2.632 -1.366 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.684 -4.484 -2.906 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.149 -2.271 -2.015 1.00 0.00 C ATOM 800 CE2 TYR A 54 -16.870 -4.122 -3.556 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.603 -3.015 -3.111 1.00 0.00 C ATOM 802 OH TYR A 54 -18.772 -2.659 -3.751 1.00 0.00 O ATOM 0 H TYR A 54 -12.289 -5.122 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.201 -2.431 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.755 -5.192 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.033 -3.949 -0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.612 -2.056 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.120 -5.338 -3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.715 -1.418 -1.670 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.220 -4.697 -4.401 1.00 0.00 H new ATOM 0 HH TYR A 54 -18.942 -3.279 -4.491 1.00 0.00 H new ATOM 812 N CYS A 55 -11.638 -1.587 -0.434 1.00 0.00 N ATOM 813 CA CYS A 55 -10.720 -1.084 0.630 1.00 0.00 C ATOM 814 C CYS A 55 -9.262 -1.315 0.210 1.00 0.00 C ATOM 815 O CYS A 55 -8.347 -0.944 0.918 1.00 0.00 O ATOM 816 CB CYS A 55 -10.978 -1.819 1.947 1.00 0.00 C ATOM 817 SG CYS A 55 -12.760 -1.937 2.254 1.00 0.00 S ATOM 0 H CYS A 55 -12.062 -0.864 -1.015 1.00 0.00 H new ATOM 0 HA CYS A 55 -10.903 -0.018 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.541 -2.817 1.908 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.494 -1.291 2.768 1.00 0.00 H new ATOM 0 HG CYS A 55 -12.967 -2.565 3.373 1.00 0.00 H new ATOM 822 N ARG A 56 -9.035 -1.931 -0.930 1.00 0.00 N ATOM 823 CA ARG A 56 -7.631 -2.184 -1.382 1.00 0.00 C ATOM 824 C ARG A 56 -6.769 -0.958 -1.059 1.00 0.00 C ATOM 825 O ARG A 56 -6.154 -0.892 -0.015 1.00 0.00 O ATOM 826 CB ARG A 56 -7.616 -2.445 -2.894 1.00 0.00 C ATOM 827 CG ARG A 56 -7.261 -3.912 -3.170 1.00 0.00 C ATOM 828 CD ARG A 56 -6.482 -4.005 -4.485 1.00 0.00 C ATOM 829 NE ARG A 56 -6.796 -5.290 -5.177 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.808 -5.337 -6.481 1.00 0.00 C ATOM 831 NH1 ARG A 56 -5.970 -4.607 -7.166 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.656 -6.109 -7.103 1.00 0.00 N ATOM 0 H ARG A 56 -9.761 -2.267 -1.563 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.231 -3.057 -0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.591 -2.212 -3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.891 -1.790 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.664 -4.314 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.168 -4.513 -3.228 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.739 -3.164 -5.129 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.412 -3.941 -4.288 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.000 -6.128 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.307 -4.001 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.978 -4.642 -8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.313 -6.679 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.662 -6.143 -8.122 1.00 0.00 H new ATOM 846 N CYS A 57 -6.720 0.006 -1.949 1.00 0.00 N ATOM 847 CA CYS A 57 -5.900 1.239 -1.701 1.00 0.00 C ATOM 848 C CYS A 57 -5.848 1.589 -0.200 1.00 0.00 C ATOM 849 O CYS A 57 -4.779 1.673 0.366 1.00 0.00 O ATOM 850 CB CYS A 57 -6.508 2.409 -2.479 1.00 0.00 C ATOM 851 SG CYS A 57 -5.989 2.307 -4.211 1.00 0.00 S ATOM 0 H CYS A 57 -7.215 -0.007 -2.841 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.881 1.049 -2.037 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.595 2.381 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.186 3.356 -2.046 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.504 3.297 -4.877 1.00 0.00 H new ATOM 856 N GLU A 58 -6.985 1.807 0.435 1.00 0.00 N ATOM 857 CA GLU A 58 -7.011 2.161 1.892 1.00 0.00 C ATOM 858 C GLU A 58 -5.771 1.623 2.617 1.00 0.00 C ATOM 859 O GLU A 58 -5.072 2.358 3.280 1.00 0.00 O ATOM 860 CB GLU A 58 -8.260 1.553 2.537 1.00 0.00 C ATOM 861 CG GLU A 58 -9.484 1.821 1.657 1.00 0.00 C ATOM 862 CD GLU A 58 -9.553 3.310 1.308 1.00 0.00 C ATOM 863 OE1 GLU A 58 -8.804 3.730 0.442 1.00 0.00 O ATOM 864 OE2 GLU A 58 -10.355 4.003 1.913 1.00 0.00 O ATOM 0 H GLU A 58 -7.904 1.753 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.022 3.248 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.125 0.480 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.413 1.981 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.426 1.226 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.392 1.517 2.178 1.00 0.00 H new ATOM 871 N ALA A 59 -5.501 0.348 2.498 1.00 0.00 N ATOM 872 CA ALA A 59 -4.311 -0.247 3.185 1.00 0.00 C ATOM 873 C ALA A 59 -3.136 0.729 3.148 1.00 0.00 C ATOM 874 O ALA A 59 -2.645 1.167 4.172 1.00 0.00 O ATOM 875 CB ALA A 59 -3.917 -1.549 2.483 1.00 0.00 C ATOM 0 H ALA A 59 -6.056 -0.311 1.952 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.567 -0.452 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.051 -1.984 2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.750 -2.251 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.670 -1.341 1.442 1.00 0.00 H new ATOM 881 N VAL A 60 -2.687 1.073 1.978 1.00 0.00 N ATOM 882 CA VAL A 60 -1.546 2.028 1.861 1.00 0.00 C ATOM 883 C VAL A 60 -1.747 3.165 2.863 1.00 0.00 C ATOM 884 O VAL A 60 -0.874 3.489 3.655 1.00 0.00 O ATOM 885 CB VAL A 60 -1.504 2.599 0.444 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.246 3.453 0.276 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.483 1.447 -0.565 1.00 0.00 C ATOM 0 H VAL A 60 -3.060 0.735 1.091 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.609 1.513 2.070 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.385 3.217 0.271 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.215 3.861 -0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.262 4.271 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.637 2.837 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.453 1.850 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.601 0.830 -0.394 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.380 0.840 -0.443 1.00 0.00 H new ATOM 897 N ARG A 61 -2.904 3.766 2.843 1.00 0.00 N ATOM 898 CA ARG A 61 -3.177 4.869 3.799 1.00 0.00 C ATOM 899 C ARG A 61 -2.907 4.367 5.216 1.00 0.00 C ATOM 900 O ARG A 61 -2.029 4.844 5.894 1.00 0.00 O ATOM 901 CB ARG A 61 -4.640 5.302 3.678 1.00 0.00 C ATOM 902 CG ARG A 61 -4.706 6.802 3.386 1.00 0.00 C ATOM 903 CD ARG A 61 -5.728 7.061 2.277 1.00 0.00 C ATOM 904 NE ARG A 61 -7.028 6.432 2.644 1.00 0.00 N ATOM 905 CZ ARG A 61 -7.928 7.122 3.289 1.00 0.00 C ATOM 906 NH1 ARG A 61 -7.727 7.451 4.535 1.00 0.00 N ATOM 907 NH2 ARG A 61 -9.029 7.482 2.689 1.00 0.00 N ATOM 0 H ARG A 61 -3.669 3.540 2.207 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.534 5.721 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.131 4.744 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.175 5.077 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.986 7.347 4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.725 7.168 3.084 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.859 8.133 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.368 6.653 1.333 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.214 5.462 2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.867 7.169 5.005 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.430 7.990 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.187 7.224 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.732 8.021 3.194 1.00 0.00 H new ATOM 921 N ILE A 62 -3.655 3.400 5.663 1.00 0.00 N ATOM 922 CA ILE A 62 -3.447 2.856 7.034 1.00 0.00 C ATOM 923 C ILE A 62 -1.955 2.755 7.343 1.00 0.00 C ATOM 924 O ILE A 62 -1.550 2.813 8.485 1.00 0.00 O ATOM 925 CB ILE A 62 -4.083 1.463 7.121 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.609 1.588 7.234 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.534 0.711 8.337 1.00 0.00 C ATOM 928 CD1 ILE A 62 -5.978 2.673 8.248 1.00 0.00 C ATOM 0 H ILE A 62 -4.408 2.959 5.134 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.911 3.524 7.760 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.837 0.907 6.217 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.034 1.831 6.260 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.037 0.634 7.540 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.991 -0.277 8.391 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.453 0.606 8.242 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.766 1.268 9.245 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.063 2.751 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.569 2.413 9.224 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.565 3.629 7.925 1.00 0.00 H new ATOM 940 N LEU A 63 -1.129 2.599 6.354 1.00 0.00 N ATOM 941 CA LEU A 63 0.324 2.499 6.643 1.00 0.00 C ATOM 942 C LEU A 63 0.877 3.893 6.923 1.00 0.00 C ATOM 943 O LEU A 63 1.603 4.102 7.875 1.00 0.00 O ATOM 944 CB LEU A 63 1.056 1.878 5.454 1.00 0.00 C ATOM 945 CG LEU A 63 2.402 1.317 5.919 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.257 2.451 6.485 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.170 0.267 7.008 1.00 0.00 C ATOM 0 H LEU A 63 -1.390 2.537 5.370 1.00 0.00 H new ATOM 0 HA LEU A 63 0.476 1.864 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.451 1.084 5.015 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.211 2.627 4.677 1.00 0.00 H new ATOM 0 HG LEU A 63 2.915 0.858 5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.216 2.053 6.817 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.423 3.202 5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.742 2.908 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.129 -0.132 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.657 0.726 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.558 -0.542 6.609 1.00 0.00 H new ATOM 959 N MET A 64 0.546 4.849 6.104 1.00 0.00 N ATOM 960 CA MET A 64 1.066 6.227 6.336 1.00 0.00 C ATOM 961 C MET A 64 0.343 6.872 7.530 1.00 0.00 C ATOM 962 O MET A 64 0.968 7.342 8.460 1.00 0.00 O ATOM 963 CB MET A 64 0.838 7.075 5.079 1.00 0.00 C ATOM 964 CG MET A 64 1.460 8.460 5.274 1.00 0.00 C ATOM 965 SD MET A 64 2.867 8.653 4.152 1.00 0.00 S ATOM 966 CE MET A 64 4.122 8.959 5.418 1.00 0.00 C ATOM 0 H MET A 64 -0.058 4.740 5.289 1.00 0.00 H new ATOM 0 HA MET A 64 2.132 6.174 6.555 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.281 6.585 4.212 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.230 7.169 4.880 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.718 9.234 5.080 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.786 8.582 6.307 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.091 9.109 4.941 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.855 9.850 5.987 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.177 8.103 6.090 1.00 0.00 H new ATOM 976 N ASP A 65 -0.966 6.904 7.517 1.00 0.00 N ATOM 977 CA ASP A 65 -1.712 7.524 8.654 1.00 0.00 C ATOM 978 C ASP A 65 -1.803 6.543 9.829 1.00 0.00 C ATOM 979 O ASP A 65 -2.025 6.942 10.955 1.00 0.00 O ATOM 980 CB ASP A 65 -3.122 7.998 8.224 1.00 0.00 C ATOM 981 CG ASP A 65 -3.004 9.357 7.531 1.00 0.00 C ATOM 982 OD1 ASP A 65 -2.549 10.289 8.174 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.371 9.443 6.372 1.00 0.00 O ATOM 0 H ASP A 65 -1.549 6.528 6.769 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.157 8.406 8.975 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.574 7.270 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.774 8.075 9.094 1.00 0.00 H new ATOM 988 N GLY A 66 -1.654 5.266 9.587 1.00 0.00 N ATOM 989 CA GLY A 66 -1.758 4.289 10.704 1.00 0.00 C ATOM 990 C GLY A 66 -3.232 3.939 10.937 1.00 0.00 C ATOM 991 O GLY A 66 -4.118 4.731 10.686 1.00 0.00 O ATOM 0 H GLY A 66 -1.466 4.862 8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.192 3.388 10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.325 4.709 11.611 1.00 0.00 H new ATOM 995 N VAL A 67 -3.494 2.757 11.417 1.00 0.00 N ATOM 996 CA VAL A 67 -4.903 2.336 11.674 1.00 0.00 C ATOM 997 C VAL A 67 -5.094 2.088 13.169 1.00 0.00 C ATOM 998 O VAL A 67 -4.146 1.883 13.903 1.00 0.00 O ATOM 999 CB VAL A 67 -5.222 1.047 10.918 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.245 -0.051 11.341 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.652 0.610 11.244 1.00 0.00 C ATOM 0 H VAL A 67 -2.788 2.057 11.645 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.570 3.128 11.333 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.127 1.221 9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.474 -0.970 10.801 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.226 0.261 11.111 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.338 -0.228 12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.883 -0.310 10.706 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.744 0.436 12.316 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.349 1.392 10.942 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.315 2.120 13.623 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.580 1.903 15.070 1.00 0.00 C ATOM 1013 C VAL A 68 -7.370 0.607 15.247 1.00 0.00 C ATOM 1014 O VAL A 68 -7.996 0.112 14.331 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.373 3.089 15.631 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.052 2.692 16.947 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.415 4.254 15.893 1.00 0.00 C ATOM 0 H VAL A 68 -7.143 2.288 13.052 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.637 1.824 15.611 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.135 3.384 14.909 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.613 3.541 17.338 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.732 1.859 16.769 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.294 2.393 17.672 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.973 5.101 16.292 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.657 3.947 16.613 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.932 4.545 14.960 1.00 0.00 H new ATOM 1027 N THR A 69 -7.307 0.042 16.416 1.00 0.00 N ATOM 1028 CA THR A 69 -8.007 -1.242 16.676 1.00 0.00 C ATOM 1029 C THR A 69 -9.077 -1.036 17.745 1.00 0.00 C ATOM 1030 O THR A 69 -9.049 -0.085 18.498 1.00 0.00 O ATOM 1031 CB THR A 69 -6.994 -2.285 17.154 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.228 -1.745 18.219 1.00 0.00 O ATOM 1033 CG2 THR A 69 -6.068 -2.663 15.998 1.00 0.00 C ATOM 0 H THR A 69 -6.794 0.420 17.212 1.00 0.00 H new ATOM 0 HA THR A 69 -8.481 -1.590 15.758 1.00 0.00 H new ATOM 0 HB THR A 69 -7.522 -3.174 17.501 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.794 -0.918 17.923 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.346 -3.406 16.338 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.657 -3.077 15.180 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.539 -1.776 15.650 1.00 0.00 H new ATOM 1041 N SER A 70 -10.036 -1.913 17.787 1.00 0.00 N ATOM 1042 CA SER A 70 -11.141 -1.791 18.776 1.00 0.00 C ATOM 1043 C SER A 70 -10.587 -1.880 20.197 1.00 0.00 C ATOM 1044 O SER A 70 -11.113 -1.293 21.121 1.00 0.00 O ATOM 1045 CB SER A 70 -12.139 -2.924 18.543 1.00 0.00 C ATOM 1046 OG SER A 70 -13.251 -2.759 19.414 1.00 0.00 O ATOM 0 H SER A 70 -10.103 -2.722 17.169 1.00 0.00 H new ATOM 0 HA SER A 70 -11.635 -0.827 18.653 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.472 -2.922 17.505 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.661 -3.887 18.723 1.00 0.00 H new ATOM 0 HG SER A 70 -13.893 -3.484 19.265 1.00 0.00 H new ATOM 1052 N SER A 71 -9.533 -2.614 20.373 1.00 0.00 N ATOM 1053 CA SER A 71 -8.935 -2.755 21.732 1.00 0.00 C ATOM 1054 C SER A 71 -8.293 -1.431 22.150 1.00 0.00 C ATOM 1055 O SER A 71 -7.960 -1.226 23.300 1.00 0.00 O ATOM 1056 CB SER A 71 -7.867 -3.849 21.708 1.00 0.00 C ATOM 1057 OG SER A 71 -7.125 -3.755 20.498 1.00 0.00 O ATOM 0 H SER A 71 -9.053 -3.127 19.634 1.00 0.00 H new ATOM 0 HA SER A 71 -9.716 -3.021 22.444 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.202 -3.743 22.565 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.334 -4.831 21.786 1.00 0.00 H new ATOM 0 HG SER A 71 -6.561 -4.550 20.397 1.00 0.00 H new ATOM 1063 N GLY A 72 -8.109 -0.534 21.222 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.480 0.774 21.560 1.00 0.00 C ATOM 1065 C GLY A 72 -6.003 0.735 21.150 1.00 0.00 C ATOM 1066 O GLY A 72 -5.235 1.618 21.480 1.00 0.00 O ATOM 0 H GLY A 72 -8.367 -0.650 20.242 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.994 1.584 21.043 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.570 0.971 22.628 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.593 -0.289 20.438 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.164 -0.387 20.022 1.00 0.00 C ATOM 1072 C GLN A 73 -3.977 0.258 18.647 1.00 0.00 C ATOM 1073 O GLN A 73 -4.906 0.382 17.882 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.759 -1.860 19.951 1.00 0.00 C ATOM 1075 CG GLN A 73 -4.295 -2.595 21.182 1.00 0.00 C ATOM 1076 CD GLN A 73 -3.971 -4.085 21.070 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -4.622 -4.907 21.682 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -2.986 -4.471 20.306 1.00 0.00 N ATOM 0 H GLN A 73 -6.188 -1.058 20.129 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.540 0.133 20.749 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.154 -2.314 19.042 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.674 -1.948 19.905 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.849 -2.183 22.087 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.372 -2.452 21.263 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.439 -3.781 19.792 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -2.763 -5.463 20.223 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.783 0.670 18.326 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.545 1.300 17.004 1.00 0.00 C ATOM 1089 C HIS A 74 -1.592 0.416 16.204 1.00 0.00 C ATOM 1090 O HIS A 74 -0.838 -0.359 16.757 1.00 0.00 O ATOM 1091 CB HIS A 74 -1.897 2.667 17.199 1.00 0.00 C ATOM 1092 CG HIS A 74 -2.933 3.690 17.584 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -2.855 5.009 17.162 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.064 3.612 18.360 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -3.909 5.665 17.683 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -4.677 4.862 18.422 1.00 0.00 N ATOM 0 H HIS A 74 -1.961 0.596 18.926 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.492 1.415 16.477 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.132 2.606 17.973 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.398 2.974 16.280 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.423 2.718 18.848 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.109 6.714 17.522 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.529 5.110 18.924 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.624 0.519 14.909 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.722 -0.329 14.076 1.00 0.00 C ATOM 1106 C GLU A 75 -0.272 0.439 12.833 1.00 0.00 C ATOM 1107 O GLU A 75 -0.657 1.570 12.613 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.465 -1.597 13.650 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.046 -2.289 14.884 1.00 0.00 C ATOM 1110 CD GLU A 75 -0.910 -2.880 15.720 1.00 0.00 C ATOM 1111 OE1 GLU A 75 0.012 -3.419 15.131 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -0.982 -2.783 16.934 1.00 0.00 O ATOM 0 H GLU A 75 -2.232 1.151 14.388 1.00 0.00 H new ATOM 0 HA GLU A 75 0.156 -0.596 14.664 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.263 -1.346 12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.786 -2.271 13.128 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.617 -1.576 15.479 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.736 -3.076 14.581 1.00 0.00 H new ATOM 1119 N GLY A 76 0.542 -0.174 12.018 1.00 0.00 N ATOM 1120 CA GLY A 76 1.025 0.506 10.785 1.00 0.00 C ATOM 1121 C GLY A 76 1.749 1.799 11.159 1.00 0.00 C ATOM 1122 O GLY A 76 2.375 1.895 12.195 1.00 0.00 O ATOM 0 H GLY A 76 0.894 -1.121 12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.697 -0.152 10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.185 0.726 10.127 1.00 0.00 H new ATOM 1126 N ARG A 77 1.659 2.795 10.325 1.00 0.00 N ATOM 1127 CA ARG A 77 2.333 4.092 10.628 1.00 0.00 C ATOM 1128 C ARG A 77 3.848 3.892 10.771 1.00 0.00 C ATOM 1129 O ARG A 77 4.534 4.720 11.337 1.00 0.00 O ATOM 1130 CB ARG A 77 1.774 4.656 11.936 1.00 0.00 C ATOM 1131 CG ARG A 77 2.211 6.114 12.095 1.00 0.00 C ATOM 1132 CD ARG A 77 1.000 6.977 12.450 1.00 0.00 C ATOM 1133 NE ARG A 77 0.681 6.814 13.896 1.00 0.00 N ATOM 1134 CZ ARG A 77 0.960 7.772 14.738 1.00 0.00 C ATOM 1135 NH1 ARG A 77 2.205 8.069 14.998 1.00 0.00 N ATOM 1136 NH2 ARG A 77 -0.005 8.430 15.318 1.00 0.00 N ATOM 0 H ARG A 77 1.147 2.769 9.443 1.00 0.00 H new ATOM 0 HA ARG A 77 2.146 4.786 9.808 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.686 4.590 11.937 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.130 4.065 12.780 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.968 6.194 12.875 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.666 6.471 11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 77 1.208 8.024 12.228 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.143 6.687 11.843 1.00 0.00 H new ATOM 0 HE ARG A 77 0.245 5.954 14.228 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.958 7.553 14.543 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.424 8.817 15.656 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.977 8.196 15.114 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.212 9.179 15.976 1.00 0.00 H new ATOM 1150 N LEU A 78 4.382 2.809 10.269 1.00 0.00 N ATOM 1151 CA LEU A 78 5.849 2.581 10.389 1.00 0.00 C ATOM 1152 C LEU A 78 6.590 3.394 9.322 1.00 0.00 C ATOM 1153 O LEU A 78 7.769 3.656 9.442 1.00 0.00 O ATOM 1154 CB LEU A 78 6.152 1.091 10.208 1.00 0.00 C ATOM 1155 CG LEU A 78 5.267 0.279 11.153 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.178 -0.433 10.349 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.121 -0.758 11.886 1.00 0.00 C ATOM 0 H LEU A 78 3.866 2.076 9.783 1.00 0.00 H new ATOM 0 HA LEU A 78 6.184 2.900 11.376 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.970 0.794 9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.204 0.894 10.416 1.00 0.00 H new ATOM 0 HG LEU A 78 4.803 0.947 11.879 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.547 -1.012 11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.569 0.306 9.827 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.640 -1.101 9.622 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.490 -1.338 12.560 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.586 -1.425 11.160 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.896 -0.251 12.460 1.00 0.00 H new ATOM 1169 N LEU A 79 5.910 3.808 8.282 1.00 0.00 N ATOM 1170 CA LEU A 79 6.589 4.610 7.229 1.00 0.00 C ATOM 1171 C LEU A 79 7.041 5.937 7.839 1.00 0.00 C ATOM 1172 O LEU A 79 6.316 6.911 7.831 1.00 0.00 O ATOM 1173 CB LEU A 79 5.610 4.878 6.085 1.00 0.00 C ATOM 1174 CG LEU A 79 6.344 4.779 4.750 1.00 0.00 C ATOM 1175 CD1 LEU A 79 5.650 3.742 3.864 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.318 6.143 4.057 1.00 0.00 C ATOM 0 H LEU A 79 4.920 3.625 8.121 1.00 0.00 H new ATOM 0 HA LEU A 79 7.452 4.067 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.792 4.158 6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.167 5.868 6.196 1.00 0.00 H new ATOM 0 HG LEU A 79 7.377 4.476 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.173 3.670 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.665 2.771 4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.618 4.045 3.690 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.841 6.077 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.285 6.444 3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.810 6.882 4.690 1.00 0.00 H new ATOM 1188 N GLN A 80 8.226 5.979 8.382 1.00 0.00 N ATOM 1189 CA GLN A 80 8.706 7.242 9.004 1.00 0.00 C ATOM 1190 C GLN A 80 10.157 7.506 8.609 1.00 0.00 C ATOM 1191 O GLN A 80 10.778 6.739 7.901 1.00 0.00 O ATOM 1192 CB GLN A 80 8.609 7.126 10.526 1.00 0.00 C ATOM 1193 CG GLN A 80 7.274 6.484 10.906 1.00 0.00 C ATOM 1194 CD GLN A 80 7.282 6.132 12.394 1.00 0.00 C ATOM 1195 OE1 GLN A 80 6.603 5.218 12.817 1.00 0.00 O ATOM 1196 NE2 GLN A 80 8.028 6.822 13.212 1.00 0.00 N ATOM 0 H GLN A 80 8.879 5.197 8.421 1.00 0.00 H new ATOM 0 HA GLN A 80 8.086 8.068 8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.435 6.526 10.909 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.693 8.112 10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.454 7.168 10.688 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.107 5.587 10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.598 7.590 12.858 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.041 6.594 14.206 1.00 0.00 H new ATOM 1205 N ASP A 81 10.687 8.602 9.062 1.00 0.00 N ATOM 1206 CA ASP A 81 12.088 8.970 8.733 1.00 0.00 C ATOM 1207 C ASP A 81 12.997 7.735 8.749 1.00 0.00 C ATOM 1208 O ASP A 81 13.036 6.977 9.697 1.00 0.00 O ATOM 1209 CB ASP A 81 12.598 9.984 9.763 1.00 0.00 C ATOM 1210 CG ASP A 81 12.013 11.364 9.458 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.912 11.697 8.289 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.676 12.065 10.399 1.00 0.00 O ATOM 0 H ASP A 81 10.200 9.271 9.658 1.00 0.00 H new ATOM 0 HA ASP A 81 12.108 9.403 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.314 9.671 10.768 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.687 10.026 9.739 1.00 0.00 H new ATOM 1217 N LEU A 82 13.746 7.564 7.698 1.00 0.00 N ATOM 1218 CA LEU A 82 14.702 6.428 7.592 1.00 0.00 C ATOM 1219 C LEU A 82 16.074 7.033 7.274 1.00 0.00 C ATOM 1220 O LEU A 82 16.156 8.206 6.968 1.00 0.00 O ATOM 1221 CB LEU A 82 14.245 5.487 6.464 1.00 0.00 C ATOM 1222 CG LEU A 82 13.155 4.544 6.990 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.595 3.708 5.837 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.753 3.604 8.041 1.00 0.00 C ATOM 0 H LEU A 82 13.735 8.181 6.886 1.00 0.00 H new ATOM 0 HA LEU A 82 14.749 5.849 8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.863 6.068 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.092 4.909 6.093 1.00 0.00 H new ATOM 0 HG LEU A 82 12.356 5.137 7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.821 3.040 6.215 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.167 4.369 5.083 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.397 3.120 5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.978 2.935 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.553 3.017 7.591 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.154 4.191 8.868 1.00 0.00 H new ATOM 1236 N PRO A 83 17.116 6.248 7.355 1.00 0.00 N ATOM 1237 CA PRO A 83 18.470 6.755 7.082 1.00 0.00 C ATOM 1238 C PRO A 83 18.614 7.155 5.613 1.00 0.00 C ATOM 1239 O PRO A 83 18.821 6.334 4.740 1.00 0.00 O ATOM 1240 CB PRO A 83 19.386 5.592 7.480 1.00 0.00 C ATOM 1241 CG PRO A 83 18.504 4.324 7.463 1.00 0.00 C ATOM 1242 CD PRO A 83 17.059 4.807 7.691 1.00 0.00 C ATOM 0 HA PRO A 83 18.716 7.661 7.637 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.219 5.496 6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.815 5.755 8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.594 3.799 6.512 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.809 3.626 8.243 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.353 4.274 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.741 4.648 8.721 1.00 0.00 H new ATOM 1250 N GLY A 84 18.500 8.431 5.348 1.00 0.00 N ATOM 1251 CA GLY A 84 18.620 8.939 3.953 1.00 0.00 C ATOM 1252 C GLY A 84 17.239 8.945 3.279 1.00 0.00 C ATOM 1253 O GLY A 84 17.084 9.453 2.186 1.00 0.00 O ATOM 0 H GLY A 84 18.327 9.150 6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.036 9.946 3.958 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.308 8.312 3.386 1.00 0.00 H new ATOM 1257 N CYS A 85 16.226 8.385 3.907 1.00 0.00 N ATOM 1258 CA CYS A 85 14.873 8.373 3.271 1.00 0.00 C ATOM 1259 C CYS A 85 13.856 9.097 4.167 1.00 0.00 C ATOM 1260 O CYS A 85 13.225 8.467 4.989 1.00 0.00 O ATOM 1261 CB CYS A 85 14.404 6.927 3.069 1.00 0.00 C ATOM 1262 SG CYS A 85 15.069 6.255 1.520 1.00 0.00 S ATOM 0 H CYS A 85 16.281 7.941 4.824 1.00 0.00 H new ATOM 0 HA CYS A 85 14.942 8.882 2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.729 6.312 3.908 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.315 6.891 3.050 1.00 0.00 H new ATOM 1267 N PRO A 86 13.712 10.390 3.987 1.00 0.00 N ATOM 1268 CA PRO A 86 12.761 11.186 4.787 1.00 0.00 C ATOM 1269 C PRO A 86 11.324 10.968 4.315 1.00 0.00 C ATOM 1270 O PRO A 86 11.086 10.567 3.193 1.00 0.00 O ATOM 1271 CB PRO A 86 13.184 12.633 4.530 1.00 0.00 C ATOM 1272 CG PRO A 86 13.978 12.628 3.206 1.00 0.00 C ATOM 1273 CD PRO A 86 14.460 11.181 2.983 1.00 0.00 C ATOM 0 HA PRO A 86 12.781 10.913 5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.313 13.285 4.458 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.797 13.009 5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.351 12.959 2.378 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.824 13.314 3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.246 10.842 1.969 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.537 11.093 3.128 1.00 0.00 H new ATOM 1281 N ARG A 87 10.363 11.252 5.154 1.00 0.00 N ATOM 1282 CA ARG A 87 8.948 11.087 4.742 1.00 0.00 C ATOM 1283 C ARG A 87 8.779 11.667 3.340 1.00 0.00 C ATOM 1284 O ARG A 87 7.916 11.272 2.580 1.00 0.00 O ATOM 1285 CB ARG A 87 8.054 11.883 5.688 1.00 0.00 C ATOM 1286 CG ARG A 87 8.257 11.409 7.124 1.00 0.00 C ATOM 1287 CD ARG A 87 7.170 10.397 7.492 1.00 0.00 C ATOM 1288 NE ARG A 87 6.929 10.437 8.962 1.00 0.00 N ATOM 1289 CZ ARG A 87 6.296 11.447 9.494 1.00 0.00 C ATOM 1290 NH1 ARG A 87 5.067 11.707 9.140 1.00 0.00 N ATOM 1291 NH2 ARG A 87 6.891 12.199 10.381 1.00 0.00 N ATOM 0 H ARG A 87 10.502 11.591 6.106 1.00 0.00 H new ATOM 0 HA ARG A 87 8.679 10.031 4.763 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.285 12.945 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.009 11.762 5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.242 10.954 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.222 12.259 7.806 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.249 10.626 6.956 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.474 9.395 7.190 1.00 0.00 H new ATOM 0 HE ARG A 87 7.259 9.674 9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.601 11.121 8.447 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.573 12.496 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.852 11.997 10.659 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.395 12.988 10.796 1.00 0.00 H new ATOM 1305 N GLN A 88 9.589 12.635 3.020 1.00 0.00 N ATOM 1306 CA GLN A 88 9.491 13.307 1.688 1.00 0.00 C ATOM 1307 C GLN A 88 9.637 12.304 0.535 1.00 0.00 C ATOM 1308 O GLN A 88 8.753 12.164 -0.288 1.00 0.00 O ATOM 1309 CB GLN A 88 10.589 14.368 1.578 1.00 0.00 C ATOM 1310 CG GLN A 88 10.407 15.156 0.280 1.00 0.00 C ATOM 1311 CD GLN A 88 10.656 16.641 0.546 1.00 0.00 C ATOM 1312 OE1 GLN A 88 9.769 17.349 0.981 1.00 0.00 O ATOM 1313 NE2 GLN A 88 11.834 17.147 0.301 1.00 0.00 N ATOM 0 H GLN A 88 10.324 12.996 3.628 1.00 0.00 H new ATOM 0 HA GLN A 88 8.506 13.767 1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.546 15.041 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.571 13.894 1.594 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.098 14.791 -0.480 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.399 15.009 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.578 16.553 -0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.010 18.137 0.475 1.00 0.00 H new ATOM 1322 N VAL A 89 10.749 11.623 0.445 1.00 0.00 N ATOM 1323 CA VAL A 89 10.947 10.664 -0.671 1.00 0.00 C ATOM 1324 C VAL A 89 9.889 9.569 -0.623 1.00 0.00 C ATOM 1325 O VAL A 89 9.334 9.183 -1.634 1.00 0.00 O ATOM 1326 CB VAL A 89 12.330 10.053 -0.534 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.552 9.017 -1.634 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.355 11.162 -0.657 1.00 0.00 C ATOM 0 H VAL A 89 11.528 11.693 1.100 1.00 0.00 H new ATOM 0 HA VAL A 89 10.856 11.183 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 89 12.427 9.559 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.546 8.583 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.802 8.231 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.466 9.497 -2.609 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.357 10.744 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.254 11.644 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.192 11.897 0.131 1.00 0.00 H new ATOM 1338 N GLN A 90 9.601 9.067 0.539 1.00 0.00 N ATOM 1339 CA GLN A 90 8.572 7.999 0.632 1.00 0.00 C ATOM 1340 C GLN A 90 7.249 8.555 0.116 1.00 0.00 C ATOM 1341 O GLN A 90 6.409 7.832 -0.384 1.00 0.00 O ATOM 1342 CB GLN A 90 8.420 7.548 2.086 1.00 0.00 C ATOM 1343 CG GLN A 90 8.882 6.093 2.213 1.00 0.00 C ATOM 1344 CD GLN A 90 9.682 5.920 3.504 1.00 0.00 C ATOM 1345 OE1 GLN A 90 9.271 5.205 4.397 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.818 6.548 3.643 1.00 0.00 N ATOM 0 H GLN A 90 10.028 9.345 1.422 1.00 0.00 H new ATOM 0 HA GLN A 90 8.871 7.139 0.033 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.011 8.188 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.381 7.641 2.401 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.020 5.426 2.215 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.495 5.819 1.354 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.164 7.148 2.894 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.360 6.438 4.500 1.00 0.00 H new ATOM 1355 N ARG A 91 7.061 9.842 0.226 1.00 0.00 N ATOM 1356 CA ARG A 91 5.795 10.453 -0.268 1.00 0.00 C ATOM 1357 C ARG A 91 5.848 10.590 -1.793 1.00 0.00 C ATOM 1358 O ARG A 91 4.839 10.521 -2.466 1.00 0.00 O ATOM 1359 CB ARG A 91 5.608 11.833 0.365 1.00 0.00 C ATOM 1360 CG ARG A 91 4.141 12.014 0.761 1.00 0.00 C ATOM 1361 CD ARG A 91 3.928 11.506 2.188 1.00 0.00 C ATOM 1362 NE ARG A 91 2.623 10.793 2.274 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.657 11.279 3.005 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.927 11.847 4.149 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.422 11.198 2.592 1.00 0.00 N ATOM 0 H ARG A 91 7.728 10.496 0.636 1.00 0.00 H new ATOM 0 HA ARG A 91 4.957 9.813 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.248 11.933 1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.905 12.611 -0.338 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.863 13.066 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.498 11.469 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.740 10.836 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.945 12.341 2.889 1.00 0.00 H new ATOM 0 HE ARG A 91 2.484 9.923 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.893 11.911 4.471 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.172 12.227 4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.211 10.755 1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.333 11.578 3.163 1.00 0.00 H new ATOM 1379 N ALA A 92 7.015 10.790 -2.346 1.00 0.00 N ATOM 1380 CA ALA A 92 7.125 10.932 -3.827 1.00 0.00 C ATOM 1381 C ALA A 92 6.876 9.575 -4.491 1.00 0.00 C ATOM 1382 O ALA A 92 6.086 9.459 -5.406 1.00 0.00 O ATOM 1383 CB ALA A 92 8.528 11.424 -4.186 1.00 0.00 C ATOM 0 H ALA A 92 7.896 10.861 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 92 6.384 11.650 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.611 11.529 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.707 12.390 -3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.267 10.705 -3.833 1.00 0.00 H new ATOM 1389 N PHE A 93 7.550 8.551 -4.039 1.00 0.00 N ATOM 1390 CA PHE A 93 7.354 7.198 -4.642 1.00 0.00 C ATOM 1391 C PHE A 93 6.051 6.576 -4.119 1.00 0.00 C ATOM 1392 O PHE A 93 5.453 5.731 -4.756 1.00 0.00 O ATOM 1393 CB PHE A 93 8.536 6.300 -4.264 1.00 0.00 C ATOM 1394 CG PHE A 93 8.249 4.879 -4.688 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.386 4.081 -3.928 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.850 4.360 -5.841 1.00 0.00 C ATOM 1397 CE1 PHE A 93 7.124 2.763 -4.322 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.588 3.042 -6.235 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.724 2.244 -5.475 1.00 0.00 C ATOM 0 H PHE A 93 8.228 8.592 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 93 7.295 7.292 -5.726 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.446 6.657 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.708 6.342 -3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.923 4.481 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.516 4.976 -6.427 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.459 2.147 -3.736 1.00 0.00 H new ATOM 0 HE2 PHE A 93 9.052 2.641 -7.124 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.521 1.228 -5.779 1.00 0.00 H new ATOM 1409 N ALA A 94 5.620 6.979 -2.955 1.00 0.00 N ATOM 1410 CA ALA A 94 4.372 6.416 -2.360 1.00 0.00 C ATOM 1411 C ALA A 94 3.263 6.242 -3.412 1.00 0.00 C ATOM 1412 O ALA A 94 2.689 5.177 -3.520 1.00 0.00 O ATOM 1413 CB ALA A 94 3.873 7.349 -1.256 1.00 0.00 C ATOM 0 H ALA A 94 6.085 7.684 -2.383 1.00 0.00 H new ATOM 0 HA ALA A 94 4.610 5.433 -1.955 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.962 6.941 -0.819 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.637 7.440 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.665 8.332 -1.677 1.00 0.00 H new ATOM 1419 N PRO A 95 2.971 7.292 -4.140 1.00 0.00 N ATOM 1420 CA PRO A 95 1.908 7.269 -5.164 1.00 0.00 C ATOM 1421 C PRO A 95 2.306 6.407 -6.366 1.00 0.00 C ATOM 1422 O PRO A 95 3.007 6.837 -7.260 1.00 0.00 O ATOM 1423 CB PRO A 95 1.730 8.742 -5.541 1.00 0.00 C ATOM 1424 CG PRO A 95 3.035 9.457 -5.126 1.00 0.00 C ATOM 1425 CD PRO A 95 3.675 8.586 -4.029 1.00 0.00 C ATOM 0 HA PRO A 95 0.981 6.824 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.551 8.851 -6.611 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.870 9.173 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.707 9.565 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.827 10.460 -4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.747 8.471 -4.186 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.543 9.028 -3.041 1.00 0.00 H new ATOM 1433 N LYS A 96 1.846 5.185 -6.373 1.00 0.00 N ATOM 1434 CA LYS A 96 2.159 4.242 -7.486 1.00 0.00 C ATOM 1435 C LYS A 96 1.935 2.816 -6.978 1.00 0.00 C ATOM 1436 O LYS A 96 2.862 2.043 -6.836 1.00 0.00 O ATOM 1437 CB LYS A 96 3.618 4.410 -7.916 1.00 0.00 C ATOM 1438 CG LYS A 96 3.670 4.995 -9.329 1.00 0.00 C ATOM 1439 CD LYS A 96 4.964 5.792 -9.505 1.00 0.00 C ATOM 1440 CE LYS A 96 4.907 6.576 -10.817 1.00 0.00 C ATOM 1441 NZ LYS A 96 5.217 8.010 -10.550 1.00 0.00 N ATOM 0 H LYS A 96 1.255 4.793 -5.640 1.00 0.00 H new ATOM 0 HA LYS A 96 1.517 4.446 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.140 5.066 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.129 3.447 -7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.620 4.195 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.808 5.640 -9.499 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.099 6.475 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.821 5.118 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.621 6.165 -11.531 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.918 6.484 -11.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.179 8.545 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.519 8.398 -9.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.169 8.089 -10.139 1.00 0.00 H new ATOM 1455 N LEU A 97 0.713 2.475 -6.666 1.00 0.00 N ATOM 1456 CA LEU A 97 0.434 1.111 -6.124 1.00 0.00 C ATOM 1457 C LEU A 97 -0.338 0.245 -7.138 1.00 0.00 C ATOM 1458 O LEU A 97 0.249 -0.482 -7.909 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.377 1.249 -4.833 1.00 0.00 C ATOM 1460 CG LEU A 97 0.382 2.149 -3.856 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -0.569 3.203 -3.288 1.00 0.00 C ATOM 1462 CD2 LEU A 97 0.943 1.300 -2.713 1.00 0.00 C ATOM 0 H LEU A 97 -0.103 3.080 -6.762 1.00 0.00 H new ATOM 0 HA LEU A 97 1.384 0.615 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.358 1.672 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.544 0.268 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 97 1.201 2.643 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.028 3.844 -2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.970 3.808 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.388 2.710 -2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.484 1.940 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 97 0.124 0.806 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.621 0.549 -3.117 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.647 0.284 -7.122 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.438 -0.571 -8.062 1.00 0.00 C ATOM 1476 C VAL A 98 -2.483 0.027 -9.471 1.00 0.00 C ATOM 1477 O VAL A 98 -3.467 -0.107 -10.172 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.858 -0.681 -7.540 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.804 -0.971 -6.047 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.593 0.640 -7.775 1.00 0.00 C ATOM 0 H VAL A 98 -2.203 0.870 -6.499 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.958 -1.548 -8.119 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.385 -1.481 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.818 -1.053 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.272 -1.907 -5.877 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.283 -0.160 -5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.613 0.560 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.075 1.443 -7.250 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.615 0.859 -8.843 1.00 0.00 H new ATOM 1490 N THR A 99 -1.443 0.659 -9.907 1.00 0.00 N ATOM 1491 CA THR A 99 -1.453 1.225 -11.279 1.00 0.00 C ATOM 1492 C THR A 99 -0.552 0.366 -12.163 1.00 0.00 C ATOM 1493 O THR A 99 0.118 -0.529 -11.684 1.00 0.00 O ATOM 1494 CB THR A 99 -0.925 2.661 -11.255 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.490 2.639 -11.125 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.535 3.412 -10.074 1.00 0.00 C ATOM 0 H THR A 99 -0.585 0.811 -9.377 1.00 0.00 H new ATOM 0 HA THR A 99 -2.471 1.231 -11.669 1.00 0.00 H new ATOM 0 HB THR A 99 -1.199 3.165 -12.182 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.832 3.557 -11.111 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.158 4.434 -10.059 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.620 3.427 -10.174 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.263 2.911 -9.145 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.521 0.610 -13.445 1.00 0.00 N ATOM 1505 CA GLU A 100 0.348 -0.221 -14.325 1.00 0.00 C ATOM 1506 C GLU A 100 1.839 -0.113 -13.930 1.00 0.00 C ATOM 1507 O GLU A 100 2.682 -0.700 -14.581 1.00 0.00 O ATOM 1508 CB GLU A 100 0.178 0.239 -15.773 1.00 0.00 C ATOM 1509 CG GLU A 100 -1.310 0.409 -16.085 1.00 0.00 C ATOM 1510 CD GLU A 100 -1.543 0.219 -17.585 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.587 0.336 -18.333 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -2.674 -0.041 -17.959 1.00 0.00 O ATOM 0 H GLU A 100 -1.054 1.341 -13.917 1.00 0.00 H new ATOM 0 HA GLU A 100 0.045 -1.262 -14.212 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.703 1.181 -15.930 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.621 -0.490 -16.451 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.896 -0.317 -15.521 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.646 1.399 -15.777 1.00 0.00 H new ATOM 1519 N VAL A 101 2.201 0.623 -12.897 1.00 0.00 N ATOM 1520 CA VAL A 101 3.645 0.721 -12.547 1.00 0.00 C ATOM 1521 C VAL A 101 3.994 -0.234 -11.395 1.00 0.00 C ATOM 1522 O VAL A 101 5.127 -0.281 -10.957 1.00 0.00 O ATOM 1523 CB VAL A 101 3.967 2.157 -12.126 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.480 2.372 -12.159 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.292 3.135 -13.090 1.00 0.00 C ATOM 0 H VAL A 101 1.565 1.148 -12.296 1.00 0.00 H new ATOM 0 HA VAL A 101 4.234 0.443 -13.421 1.00 0.00 H new ATOM 0 HB VAL A 101 3.598 2.330 -11.115 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.709 3.395 -11.859 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.961 1.676 -11.472 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.850 2.199 -13.169 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.521 4.158 -12.790 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.660 2.962 -14.101 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.213 2.983 -13.066 1.00 0.00 H new ATOM 1535 N GLU A 102 3.052 -0.993 -10.890 1.00 0.00 N ATOM 1536 CA GLU A 102 3.399 -1.917 -9.765 1.00 0.00 C ATOM 1537 C GLU A 102 2.517 -3.177 -9.783 1.00 0.00 C ATOM 1538 O GLU A 102 2.792 -4.121 -10.497 1.00 0.00 O ATOM 1539 CB GLU A 102 3.228 -1.182 -8.434 1.00 0.00 C ATOM 1540 CG GLU A 102 3.485 -2.148 -7.274 1.00 0.00 C ATOM 1541 CD GLU A 102 4.761 -2.947 -7.547 1.00 0.00 C ATOM 1542 OE1 GLU A 102 4.666 -3.971 -8.205 1.00 0.00 O ATOM 1543 OE2 GLU A 102 5.812 -2.521 -7.097 1.00 0.00 O ATOM 0 H GLU A 102 2.080 -1.014 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 102 4.436 -2.232 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.920 -0.342 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.221 -0.771 -8.361 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.583 -1.594 -6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 102 2.638 -2.824 -7.156 1.00 0.00 H new ATOM 1550 N CYS A 103 1.475 -3.214 -8.989 1.00 0.00 N ATOM 1551 CA CYS A 103 0.605 -4.430 -8.953 1.00 0.00 C ATOM 1552 C CYS A 103 -0.816 -4.068 -9.419 1.00 0.00 C ATOM 1553 O CYS A 103 -1.787 -4.477 -8.815 1.00 0.00 O ATOM 1554 CB CYS A 103 0.541 -4.959 -7.516 1.00 0.00 C ATOM 1555 SG CYS A 103 2.189 -5.495 -6.985 1.00 0.00 S ATOM 0 H CYS A 103 1.190 -2.458 -8.367 1.00 0.00 H new ATOM 0 HA CYS A 103 1.020 -5.191 -9.614 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.169 -4.182 -6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.159 -5.792 -7.456 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.944 -3.294 -10.476 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.293 -2.890 -10.979 1.00 0.00 C ATOM 1562 C ASN A 104 -3.346 -3.980 -10.727 1.00 0.00 C ATOM 1563 O ASN A 104 -3.967 -4.011 -9.683 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.195 -2.589 -12.475 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.182 -3.533 -13.139 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.634 -3.215 -14.176 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -0.911 -4.691 -12.595 1.00 0.00 N ATOM 0 H ASN A 104 -0.161 -2.924 -11.014 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.612 -2.000 -10.436 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.173 -2.706 -12.942 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.891 -1.553 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -0.244 -5.320 -13.041 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -1.367 -4.965 -11.725 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.562 -4.866 -11.667 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.582 -5.949 -11.471 1.00 0.00 C ATOM 1576 C LEU A 105 -6.018 -5.381 -11.407 1.00 0.00 C ATOM 1577 O LEU A 105 -6.966 -6.131 -11.289 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.287 -6.715 -10.174 1.00 0.00 C ATOM 1579 CG LEU A 105 -3.160 -7.723 -10.410 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.173 -7.663 -9.242 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.749 -9.133 -10.503 1.00 0.00 C ATOM 0 H LEU A 105 -3.077 -4.888 -12.564 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.517 -6.619 -12.329 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.004 -6.017 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.184 -7.232 -9.835 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.644 -7.481 -11.339 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.369 -8.380 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.755 -6.659 -9.170 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.691 -7.907 -8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.947 -9.852 -10.671 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.264 -9.374 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.456 -9.178 -11.331 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.197 -4.081 -11.488 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.577 -3.501 -11.439 1.00 0.00 C ATOM 1595 C ALA A 106 -8.053 -3.402 -9.987 1.00 0.00 C ATOM 1596 O ALA A 106 -7.767 -4.253 -9.168 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.543 -4.382 -12.236 1.00 0.00 C ATOM 0 H ALA A 106 -5.446 -3.398 -11.586 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.554 -2.503 -11.878 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.544 -3.953 -12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.214 -4.437 -13.274 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.560 -5.384 -11.807 1.00 0.00 H new ATOM 1603 N THR A 107 -8.780 -2.365 -9.663 1.00 0.00 N ATOM 1604 CA THR A 107 -9.277 -2.205 -8.265 1.00 0.00 C ATOM 1605 C THR A 107 -10.807 -2.313 -8.271 1.00 0.00 C ATOM 1606 O THR A 107 -11.395 -2.801 -9.216 1.00 0.00 O ATOM 1607 CB THR A 107 -8.862 -0.826 -7.738 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.792 0.151 -8.180 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.483 -0.468 -8.284 1.00 0.00 C ATOM 0 H THR A 107 -9.051 -1.622 -10.307 1.00 0.00 H new ATOM 0 HA THR A 107 -8.854 -2.979 -7.624 1.00 0.00 H new ATOM 0 HB THR A 107 -8.838 -0.851 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.312 0.964 -8.443 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.187 0.512 -7.910 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.758 -1.214 -7.959 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.518 -0.446 -9.373 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.462 -1.856 -7.236 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.950 -1.929 -7.210 1.00 0.00 C ATOM 1619 C ILE A 108 -13.503 -1.093 -8.363 1.00 0.00 C ATOM 1620 O ILE A 108 -14.613 -1.287 -8.816 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.467 -1.368 -5.886 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.962 -1.667 -5.755 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.249 0.147 -5.855 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.435 -1.287 -4.352 1.00 0.00 C ATOM 0 H ILE A 108 -11.032 -1.437 -6.411 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.271 -2.966 -7.311 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.928 -1.832 -5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.523 -1.108 -6.504 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.150 -2.725 -5.940 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.617 0.548 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.185 0.364 -5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.789 0.609 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.500 -1.499 -4.257 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -14.882 -1.866 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.261 -0.224 -4.185 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.726 -0.159 -8.831 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.177 0.714 -9.951 1.00 0.00 C ATOM 1638 C HIS A 109 -13.006 -0.005 -11.294 1.00 0.00 C ATOM 1639 O HIS A 109 -13.055 0.613 -12.340 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.323 1.981 -9.952 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.645 2.804 -8.739 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -13.647 3.761 -8.738 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -12.103 2.825 -7.482 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -13.675 4.314 -7.512 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -12.753 3.779 -6.706 1.00 0.00 N ATOM 0 H HIS A 109 -11.788 0.040 -8.483 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.231 0.958 -9.816 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.265 1.719 -9.956 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.512 2.559 -10.857 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.293 2.196 -7.144 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.359 5.095 -7.215 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -12.566 4.018 -5.732 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.801 -1.298 -11.288 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.623 -2.025 -12.577 1.00 0.00 C ATOM 1655 C GLY A 110 -11.687 -1.225 -13.484 1.00 0.00 C ATOM 1656 O GLY A 110 -11.738 -1.331 -14.694 1.00 0.00 O ATOM 0 H GLY A 110 -12.750 -1.877 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.210 -3.017 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.588 -2.166 -13.064 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.832 -0.421 -12.909 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.896 0.388 -13.736 1.00 0.00 C ATOM 1662 C GLY A 111 -8.603 0.637 -12.951 1.00 0.00 C ATOM 1663 O GLY A 111 -8.532 0.357 -11.772 1.00 0.00 O ATOM 0 H GLY A 111 -10.743 -0.291 -11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.674 -0.133 -14.667 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.359 1.337 -14.005 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.617 1.156 -13.640 1.00 0.00 N ATOM 1668 CA PRO A 112 -6.297 1.457 -13.049 1.00 0.00 C ATOM 1669 C PRO A 112 -6.338 2.764 -12.252 1.00 0.00 C ATOM 1670 O PRO A 112 -5.793 3.768 -12.668 1.00 0.00 O ATOM 1671 CB PRO A 112 -5.388 1.603 -14.275 1.00 0.00 C ATOM 1672 CG PRO A 112 -6.312 1.939 -15.471 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.728 1.487 -15.076 1.00 0.00 C ATOM 0 HA PRO A 112 -5.960 0.691 -12.351 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.652 2.392 -14.120 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.835 0.682 -14.459 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -6.293 3.007 -15.687 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.979 1.426 -16.373 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.460 2.276 -15.247 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -8.048 0.624 -15.660 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.962 2.755 -11.106 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.025 3.993 -10.272 1.00 0.00 C ATOM 1683 C PHE A 113 -7.977 3.769 -9.095 1.00 0.00 C ATOM 1684 O PHE A 113 -8.801 2.876 -9.117 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.529 5.174 -11.109 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.881 4.857 -11.714 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -10.033 4.858 -10.914 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.982 4.584 -13.082 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -11.284 4.585 -11.488 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.230 4.307 -13.654 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.381 4.310 -12.859 1.00 0.00 C ATOM 0 H PHE A 113 -7.433 1.942 -10.709 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.024 4.218 -9.903 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.603 6.064 -10.485 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.814 5.398 -11.900 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.957 5.069 -9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.095 4.587 -13.699 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.172 4.587 -10.873 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.304 4.091 -14.710 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.344 4.101 -13.301 1.00 0.00 H new